smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C#Cc1ccc(CN2CCCN(Cc3ccncc3)CC2)s1 ZINC000952979023 1011024878 /nfs/dbraw/zinc/02/48/78/1011024878.db2.gz SRCQSJBWZWPREN-UHFFFAOYSA-N 0 1 369.534 2.973 50 30 FFEAMN CC(=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1)c1cccs1 ZINC000005370623 204205494 /nfs/dbraw/zinc/20/54/94/204205494.db2.gz RLHQMIXIECDQET-FYJGNVAPSA-N 0 1 357.487 2.970 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000005799911 206198107 /nfs/dbraw/zinc/19/81/07/206198107.db2.gz DQIOMYMAAOJRRY-UYTDBDHRSA-N 0 1 356.447 2.731 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000019902896 206328204 /nfs/dbraw/zinc/32/82/04/206328204.db2.gz YVLGHJZAWABXNK-GOSISDBHSA-N 0 1 368.408 2.966 50 30 FFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000019902896 206328210 /nfs/dbraw/zinc/32/82/10/206328210.db2.gz YVLGHJZAWABXNK-GOSISDBHSA-N 0 1 368.408 2.966 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000019582779 507182721 /nfs/dbraw/zinc/18/27/21/507182721.db2.gz MQSHNSQPXYWMOG-SFHVURJKSA-N 0 1 368.408 2.966 50 30 FFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000019582779 507182728 /nfs/dbraw/zinc/18/27/28/507182728.db2.gz MQSHNSQPXYWMOG-SFHVURJKSA-N 0 1 368.408 2.966 50 30 FFEAMN C=CCN1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000072252455 507771874 /nfs/dbraw/zinc/77/18/74/507771874.db2.gz SFBUYTAJLCEIEI-UHFFFAOYSA-N 0 1 352.482 2.882 50 30 FFEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)c1 ZINC000004095394 524173269 /nfs/dbraw/zinc/17/32/69/524173269.db2.gz VWRXFWXETWTCCL-UGSOOPFHSA-N 0 1 367.401 2.654 50 30 FFEAMN COc1cccc(N2C(=O)C[C@@H](SC(=N)Nc3ccccc3)C2=O)c1 ZINC000017730154 526140035 /nfs/dbraw/zinc/14/00/35/526140035.db2.gz CSAMBJRMQUYYSQ-OAHLLOKOSA-N 0 1 355.419 2.707 50 30 FFEAMN Cc1ccc(C(=O)Oc2ccc(C=NNC3=NC(=O)CS3)cc2)cc1 ZINC000004550117 526238286 /nfs/dbraw/zinc/23/82/86/526238286.db2.gz FMCFXEXNQBBDHC-VXLYETTFSA-N 0 1 353.403 2.767 50 30 FFEAMN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000670462639 571357120 /nfs/dbraw/zinc/35/71/20/571357120.db2.gz PAHIYYUCKXOCEC-SFHVURJKSA-N 0 1 373.522 2.550 50 30 FFEAMN CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000329304723 971049995 /nfs/dbraw/zinc/04/99/95/971049995.db2.gz OLPYYVHMBRIWAF-MRXNPFEDSA-N 0 1 352.442 2.844 50 30 FFEAMN C[C@H](Oc1ccc(C#N)cc1)C(=O)n1cc(C(=O)c2ccccc2O)cn1 ZINC000014198512 204574472 /nfs/dbraw/zinc/57/44/72/204574472.db2.gz BVUMOYGCKPYLKS-ZDUSSCGKSA-N 0 1 361.357 2.799 50 30 FFEAMN CCc1nc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)[nH]c(=O)c1C#N ZINC000005239006 206193380 /nfs/dbraw/zinc/19/33/80/206193380.db2.gz ZCGJCHVNWWJZFY-LBPRGKRZSA-N 0 1 356.451 2.940 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104137254 206236238 /nfs/dbraw/zinc/23/62/38/206236238.db2.gz RNCHUHNVDOWFHK-IBOXJLQUSA-N 0 1 368.345 2.655 50 30 FFEAMN CC(C)=C1Oc2c(ccc(O)c2CN2CCN(CC(F)(F)F)CC2)C1=O ZINC000218548231 206371819 /nfs/dbraw/zinc/37/18/19/206371819.db2.gz YYAKEFYZBYCLFC-UHFFFAOYSA-N 0 1 370.371 2.941 50 30 FFEAMN N#Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000004336832 506372638 /nfs/dbraw/zinc/37/26/38/506372638.db2.gz QUZYPOVBRHGWIS-UHFFFAOYSA-N 0 1 355.463 2.501 50 30 FFEAMN Cc1nnc(SCc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)[nH]1 ZINC000012972861 506920024 /nfs/dbraw/zinc/92/00/24/506920024.db2.gz MKVBQQKYPGSBIZ-UHFFFAOYSA-N 0 1 372.479 2.579 50 30 FFEAMN Cc1n[nH]c(SCc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)n1 ZINC000012972861 506920028 /nfs/dbraw/zinc/92/00/28/506920028.db2.gz MKVBQQKYPGSBIZ-UHFFFAOYSA-N 0 1 372.479 2.579 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(O)c2)cc1 ZINC000019138384 507157725 /nfs/dbraw/zinc/15/77/25/507157725.db2.gz UONFLIQGIMNBPK-SCLBCKFNSA-N 0 1 367.401 2.660 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 ZINC000020265633 507217375 /nfs/dbraw/zinc/21/73/75/507217375.db2.gz XTSCXTSFECSFGQ-CQSZACIVSA-N 0 1 362.476 2.950 50 30 FFEAMN C=CC[C@@]1(CO)CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091288581 507979010 /nfs/dbraw/zinc/97/90/10/507979010.db2.gz YUKRNPIGKLSNFR-LJQANCHMSA-N 0 1 350.890 2.649 50 30 FFEAMN O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccs1 ZINC000102701874 508282155 /nfs/dbraw/zinc/28/21/55/508282155.db2.gz ODSNKCFEZOWWHR-MNWMYKRDSA-N 0 1 353.359 2.757 50 30 FFEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccs1 ZINC000102701874 508282158 /nfs/dbraw/zinc/28/21/58/508282158.db2.gz ODSNKCFEZOWWHR-MNWMYKRDSA-N 0 1 353.359 2.757 50 30 FFEAMN Cc1csc(CN(C)C[C@@H]2[C@H]3CN(C(=O)c4cccc(C#N)c4)C[C@H]32)n1 ZINC000102829861 508287223 /nfs/dbraw/zinc/28/72/23/508287223.db2.gz XPYMQOUVXZWHEH-NNZMDNLPSA-N 0 1 366.490 2.773 50 30 FFEAMN C=CCN(Cc1cccc(OC)c1)C(=O)c1cc(-c2cnn(C)c2C)[nH]n1 ZINC000055368737 518784862 /nfs/dbraw/zinc/78/48/62/518784862.db2.gz XGSOJRBAUAAWRL-UHFFFAOYSA-N 0 1 365.437 2.956 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 ZINC000018028742 523555046 /nfs/dbraw/zinc/55/50/46/523555046.db2.gz BSYGDHMKMNVSIX-GOSISDBHSA-N 0 1 367.401 2.656 50 30 biogenic FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(O)c1 ZINC000004311954 523797054 /nfs/dbraw/zinc/79/70/54/523797054.db2.gz XMQTYHSIIGHGAZ-QGZVFWFLSA-N 0 1 353.374 2.617 50 30 biogenic FFEAMN Cc1cc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 ZINC000041560333 525444773 /nfs/dbraw/zinc/44/47/73/525444773.db2.gz SKMOTZHWHOBARO-IEBWSBKVSA-N 0 1 374.444 2.812 50 30 FFEAMN CC(C)(O)C#Cc1ccc(CN2CCC(O)(c3ccccn3)CC2)s1 ZINC000670434346 571346311 /nfs/dbraw/zinc/34/63/11/571346311.db2.gz PGTPNWFHKINWIM-UHFFFAOYSA-N 0 1 356.491 2.749 50 30 FFEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2N2CCCC2)c1C#N ZINC000009613965 204375987 /nfs/dbraw/zinc/37/59/87/204375987.db2.gz ABMQIMSTBFCPEH-UHFFFAOYSA-N 0 1 368.462 2.886 50 30 FFEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccs1 ZINC000008743138 204342036 /nfs/dbraw/zinc/34/20/36/204342036.db2.gz DTPDDQVDXNRODJ-ZDUSSCGKSA-N 0 1 353.359 2.914 50 30 FFEAMN CCc1ccc(NC(=O)[C@H](C)Sc2nc(CC)c(C#N)c(=O)[nH]2)cc1 ZINC000005239001 206193292 /nfs/dbraw/zinc/19/32/92/206193292.db2.gz NPSRKMQCWFXLNC-NSHDSACASA-N 0 1 356.451 2.886 50 30 FFEAMN C=CCOc1ccc(-c2nnn(Cc3nnc(-c4ccccc4)[nH]3)n2)cc1 ZINC000065405215 506294780 /nfs/dbraw/zinc/29/47/80/506294780.db2.gz HDEQIURBMACAKN-UHFFFAOYSA-N 0 1 359.393 2.738 50 30 FFEAMN C=CCOc1ccc(-c2nnn(Cc3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000065405215 506294789 /nfs/dbraw/zinc/29/47/89/506294789.db2.gz HDEQIURBMACAKN-UHFFFAOYSA-N 0 1 359.393 2.738 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000102494879 508276481 /nfs/dbraw/zinc/27/64/81/508276481.db2.gz VBBQJQSFLHGPNM-SELCWUDQSA-N 0 1 368.408 2.809 50 30 FFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000102494879 508276482 /nfs/dbraw/zinc/27/64/82/508276482.db2.gz VBBQJQSFLHGPNM-SELCWUDQSA-N 0 1 368.408 2.809 50 30 FFEAMN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)ccn1 ZINC000225713509 509385769 /nfs/dbraw/zinc/38/57/69/509385769.db2.gz VXDUUVOWRRLNCP-UHFFFAOYSA-N 0 1 352.213 2.825 50 30 FFEAMN C=CCN1CC2(CCC1=O)CCN(CC(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000091585729 518860296 /nfs/dbraw/zinc/86/02/96/518860296.db2.gz KUCVKEBIAYJNOI-SFHVURJKSA-N 0 1 369.509 2.754 50 30 FFEAMN CCCOc1nc2ccccc2nc1C(C#N)C(=O)NCc1ccco1 ZINC000005452280 520497026 /nfs/dbraw/zinc/49/70/26/520497026.db2.gz UQBGIYGKUZFFDB-CQSZACIVSA-N 0 1 350.378 2.935 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000102805556 523790768 /nfs/dbraw/zinc/79/07/68/523790768.db2.gz KSSLRLCLWUVXLL-SELCWUDQSA-N 0 1 367.401 2.763 50 30 FFEAMN OCC#Cc1csc(CN2CCCN(Cc3ccccc3F)CC2)c1 ZINC000828644587 999577563 /nfs/dbraw/zinc/57/75/63/999577563.db2.gz HNVJKPMGWHSMNB-UHFFFAOYSA-N 0 1 358.482 2.939 50 30 FFEAMN CCOC(=O)c1c2c(sc1NC(=O)CN(CC)CC)/C(=N/O)CCC2 ZINC000004350935 204133901 /nfs/dbraw/zinc/13/39/01/204133901.db2.gz OLBAOWISRQKCOL-XDHOZWIPSA-N 0 1 367.471 2.720 50 30 FFEAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCCC#N)cc1 ZINC000004854835 204170616 /nfs/dbraw/zinc/17/06/16/204170616.db2.gz MQKKIDDPIDRPBQ-KRWDZBQOSA-N 0 1 356.426 2.618 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006187422 206242117 /nfs/dbraw/zinc/24/21/17/206242117.db2.gz VUGQHOPBONGJIM-INIZCTEOSA-N 0 1 368.345 2.812 50 30 FFEAMN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000057150908 136128315 /nfs/dbraw/zinc/12/83/15/136128315.db2.gz ZCQCIQHBIJAJOI-UHFFFAOYSA-N 0 1 372.347 2.557 50 30 FFEAMN Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1 ZINC000009329922 263361432 /nfs/dbraw/zinc/36/14/32/263361432.db2.gz UVYMPRWPNYAMMU-NBJAVWQESA-N 0 1 363.413 2.965 50 30 FFEAMN OCC#Cc1ccc([C@H]2c3[nH]cnc3CCN2CCc2ccccc2)cc1 ZINC000072478662 507797245 /nfs/dbraw/zinc/79/72/45/507797245.db2.gz QRJVIAUBEHBDHV-QHCPKHFHSA-N 0 1 357.457 2.944 50 30 FFEAMN CC(C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1NC(=O)C1CCOCC1 ZINC000092002126 508031046 /nfs/dbraw/zinc/03/10/46/508031046.db2.gz FXSHTXUTIPZVSP-UXHICEINSA-N 0 1 355.482 2.557 50 30 FFEAMN Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@H]1CN(C(C)C)CCO1 ZINC000097732694 508229692 /nfs/dbraw/zinc/22/96/92/508229692.db2.gz JLJNYECCHITFFR-KRWDZBQOSA-N 0 1 368.481 2.506 50 30 FFEAMN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)n1 ZINC000328854592 970692892 /nfs/dbraw/zinc/69/28/92/970692892.db2.gz WMIYCCZSTCVZNI-MRXNPFEDSA-N 0 1 356.474 2.886 50 30 FFEAMN N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000047032987 205140769 /nfs/dbraw/zinc/14/07/69/205140769.db2.gz CPCQIRHHKRZFRB-LJQANCHMSA-N 0 1 355.463 2.674 50 30 FFEAMN COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 ZINC000067692032 205383236 /nfs/dbraw/zinc/38/32/36/205383236.db2.gz IIJMJFXYHGXUDK-MEDUHNTESA-N 0 1 350.422 2.911 50 30 FFEAMN N#Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000107147295 206016589 /nfs/dbraw/zinc/01/65/89/206016589.db2.gz SRCAXDZYERMXLK-QUCCMNQESA-N 0 1 364.449 2.563 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000103522509 206235049 /nfs/dbraw/zinc/23/50/49/206235049.db2.gz XCLAWXHLGMEDIK-GROYHEBESA-N 0 1 353.374 2.755 50 30 FFEAMN COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001252712 506256671 /nfs/dbraw/zinc/25/66/71/506256671.db2.gz VUOMLWCPJUQBSD-SFHVURJKSA-N 0 1 369.373 2.898 50 30 FFEAMN CS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000032899557 506307742 /nfs/dbraw/zinc/30/77/42/506307742.db2.gz ZTUHBYXVYWZYFC-UHFFFAOYSA-N 0 1 369.490 2.739 50 30 FFEAMN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C(=O)c2ccc(C#N)cc2)C1 ZINC000091390916 507982935 /nfs/dbraw/zinc/98/29/35/507982935.db2.gz RMMUQMSECUJRNC-PKOBYXMFSA-N 0 1 364.449 2.900 50 30 FFEAMN N#CC1(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)CCOCC1 ZINC000095363551 508176775 /nfs/dbraw/zinc/17/67/75/508176775.db2.gz LVEJDHZSJVPSKC-PKOBYXMFSA-N 0 1 371.456 2.569 50 30 FFEAMN C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br ZINC000004185166 203827786 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ZINC000065455815 506302682 /nfs/dbraw/zinc/30/26/82/506302682.db2.gz YYZDUKHAJBDTNW-FQEVSTJZSA-N 0 1 365.433 2.658 50 30 FFEAMN CCc1nc(S[C@H](C)C(=O)Nc2ccccc2Cl)[nH]c(=O)c1C#N ZINC000005239015 506429865 /nfs/dbraw/zinc/42/98/65/506429865.db2.gz NJGBPBHAHQHYCI-SECBINFHSA-N 0 1 362.842 2.977 50 30 FFEAMN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(CC)c(C#N)c(=O)[nH]2)cc1 ZINC000005239000 506429909 /nfs/dbraw/zinc/42/99/09/506429909.db2.gz NPSRKMQCWFXLNC-LLVKDONJSA-N 0 1 356.451 2.886 50 30 FFEAMN C=C(C)CN(CC)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000040161503 506478179 /nfs/dbraw/zinc/47/81/79/506478179.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 0 1 357.454 2.756 50 30 FFEAMN C=C(C)CN(CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000040161503 506478186 /nfs/dbraw/zinc/47/81/86/506478186.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 0 1 357.454 2.756 50 30 FFEAMN COc1cc(OC)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 ZINC000067856824 507028691 /nfs/dbraw/zinc/02/86/91/507028691.db2.gz IKVAYRMOBGUORR-YVEFUNNKSA-N 0 1 350.422 2.911 50 30 FFEAMN COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000020111754 507212331 /nfs/dbraw/zinc/21/23/31/507212331.db2.gz YBIIDIGFVMXLJU-XWCAUFEOSA-N 0 1 355.394 2.617 50 30 biogenic FFEAMN COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000020111754 507212339 /nfs/dbraw/zinc/21/23/39/507212339.db2.gz YBIIDIGFVMXLJU-XWCAUFEOSA-N 0 1 355.394 2.617 50 30 biogenic FFEAMN COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccn1)N(C)CC3)OCO2 ZINC000020111754 507212345 /nfs/dbraw/zinc/21/23/45/507212345.db2.gz YBIIDIGFVMXLJU-XWCAUFEOSA-N 0 1 355.394 2.617 50 30 biogenic FFEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccccc1F ZINC000049547121 507623112 /nfs/dbraw/zinc/62/31/12/507623112.db2.gz UGEXQXABFMMENB-MRXNPFEDSA-N 0 1 354.385 2.779 50 30 FFEAMN CCOC(=O)C(CC#CCN1CCCC[C@@H]1c1cccnc1)C(=O)OCC ZINC000061999398 507650252 /nfs/dbraw/zinc/65/02/52/507650252.db2.gz BJQPESVQPROFRD-LJQANCHMSA-N 0 1 372.465 2.745 50 30 biogenic FFEAMN C[C@@H]1CCc2ccccc2N1C(=O)CON=C(N)c1ccc(N(C)C)cc1 ZINC000075121313 508084887 /nfs/dbraw/zinc/08/48/87/508084887.db2.gz NGNYSJPDSJXDLH-OAHLLOKOSA-N 0 1 366.465 2.757 50 30 FFEAMN C=CCOC(=O)c1cc(-c2ccc(CN=Nc3nn[nH]n3)o2)ccc1Cl ZINC000006185926 518976815 /nfs/dbraw/zinc/97/68/15/518976815.db2.gz NNZCZXQGLHLFRG-GIJQJNRQSA-N 0 1 372.772 2.902 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F ZINC000019808029 521759752 /nfs/dbraw/zinc/75/97/52/521759752.db2.gz SVRHGSYHHZAPCX-INIZCTEOSA-N 0 1 358.369 2.559 50 30 FFEAMN COc1cccc(C(=O)C=C(O)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000101355564 525780518 /nfs/dbraw/zinc/78/05/18/525780518.db2.gz AHBRZFBKMQQWEB-WJDWOHSUSA-N 0 1 357.362 2.976 50 30 FFEAMN N#CC(C(=O)c1ccccc1SCC(N)=O)c1nc2ccccc2o1 ZINC000041541167 526508469 /nfs/dbraw/zinc/50/84/69/526508469.db2.gz AABAAEWPRGZGCV-GFCCVEGCSA-N 0 1 351.387 2.895 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000005576869 207106509 /nfs/dbraw/zinc/10/65/09/207106509.db2.gz 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CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000019927996 507205086 /nfs/dbraw/zinc/20/50/86/507205086.db2.gz LONDGNMUQDZLJD-INIZCTEOSA-N 0 1 358.369 2.559 50 30 FFEAMN C=CCn1c2ccccc2nc1[C@H]1c2[nH]cnc2CCN1Cc1cnc[nH]1 ZINC000072167895 507767888 /nfs/dbraw/zinc/76/78/88/507767888.db2.gz FLFDUWUJYYESRG-LJQANCHMSA-N 0 1 359.437 2.816 50 30 FFEAMN C=CCN1CC2(CCC1=O)CCN(C(=O)c1[nH]nc3ccc(C)cc31)CC2 ZINC000091769358 508010781 /nfs/dbraw/zinc/01/07/81/508010781.db2.gz PQNNOQQDLAVXPW-UHFFFAOYSA-N 0 1 366.465 2.902 50 30 FFEAMN C=CCOC[C@H](O)CN(CC=C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000253376985 509873310 /nfs/dbraw/zinc/87/33/10/509873310.db2.gz VQDNPYBDEOEKFN-QZTJIDSGSA-N 0 1 364.873 2.885 50 30 FFEAMN Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C(F)F)CC2)CCCN1C ZINC000329523505 512063482 /nfs/dbraw/zinc/06/34/82/512063482.db2.gz RQAHSTLEYWQTGH-GOEBONIOSA-N 0 1 369.460 2.694 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 ZINC000004537375 523791145 /nfs/dbraw/zinc/79/11/45/523791145.db2.gz WWVHPCHTFOSCHW-GOSISDBHSA-N 0 1 366.417 2.923 50 30 FFEAMN Cc1cccc(C(=O)Oc2ccc(C=NNC3=NC(=O)CS3)cc2)c1 ZINC000005619499 524225571 /nfs/dbraw/zinc/22/55/71/524225571.db2.gz BHDGXWYWHJMCEQ-VXLYETTFSA-N 0 1 353.403 2.767 50 30 FFEAMN Cc1cc(C(C#N)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)nc(C)n1 ZINC000041560339 525501826 /nfs/dbraw/zinc/50/18/26/525501826.db2.gz SKMOTZHWHOBARO-HKUYNNGSSA-N 0 1 374.444 2.812 50 30 FFEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCc3ccccc3[C@@H]1CC2=O ZINC000002097458 209394228 /nfs/dbraw/zinc/39/42/28/209394228.db2.gz KNBZHZUPWBHCEM-KSSFIOAISA-N 0 1 353.418 2.601 50 30 biogenic FFEAMN CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(O)c(OC)c1 ZINC000002428508 206914803 /nfs/dbraw/zinc/91/48/03/206914803.db2.gz WIKVVSRVINTEHW-MKMNVTDBSA-N 0 1 357.233 2.862 50 30 FFEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccncc2)no1 ZINC000009411239 207270076 /nfs/dbraw/zinc/27/00/76/207270076.db2.gz MNNHRYLZPCCNTL-OAHLLOKOSA-N 0 1 351.318 2.754 50 30 FFEAMN CCN1CC[C@@]2(CN(c3nc(C(C)C)ccc3C#N)CCN2C)CCC1=O ZINC000091650457 132202778 /nfs/dbraw/zinc/20/27/78/132202778.db2.gz GVNSTPPAAHDSIC-OAQYLSRUSA-N 0 1 369.513 2.600 50 30 FFEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000004017146 506354415 /nfs/dbraw/zinc/35/44/15/506354415.db2.gz HIEIFLKJPJTTPT-CYBMUJFWSA-N 0 1 351.200 2.806 50 30 FFEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000004263693 506368382 /nfs/dbraw/zinc/36/83/82/506368382.db2.gz OCLVMKCGPWMXHB-CYBMUJFWSA-N 0 1 351.200 2.806 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 ZINC000005045088 506417606 /nfs/dbraw/zinc/41/76/06/506417606.db2.gz YBEMBAWBMKGNFC-SFHVURJKSA-N 0 1 367.401 2.925 50 30 FFEAMN CCOc1ccc(C(=O)ONC(=N)c2ccc(OC)cc2)cc1OCC ZINC000006949506 506518906 /nfs/dbraw/zinc/51/89/06/506518906.db2.gz XCVKSOZELZPHNO-UHFFFAOYSA-N 0 1 358.394 2.970 50 30 FFEAMN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccc(F)cc2)S1 ZINC000018209083 507145303 /nfs/dbraw/zinc/14/53/03/507145303.db2.gz KRALAFVFXGMXQM-MBTVCVBTSA-N 0 1 357.410 2.999 50 30 FFEAMN Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccco1)O2 ZINC000020573418 507227683 /nfs/dbraw/zinc/22/76/83/507227683.db2.gz PIQMOURCPMZSBS-BOPFTXTBSA-N 0 1 354.406 2.657 50 30 FFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(O)c1 ZINC000103903245 508323939 /nfs/dbraw/zinc/32/39/39/508323939.db2.gz MXTLZUDRKSZPJU-SELCWUDQSA-N 0 1 367.401 2.850 50 30 FFEAMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CCO)C(C)C)c1C#N ZINC000170653646 509700752 /nfs/dbraw/zinc/70/07/52/509700752.db2.gz NSSJBVXLOQYNMG-UHFFFAOYSA-N 0 1 354.454 2.607 50 30 FFEAMN COc1ccc(NC(=O)NC2CCN(Cc3cccnc3)CC2)cc1C#N ZINC000426563548 513981033 /nfs/dbraw/zinc/98/10/33/513981033.db2.gz ZUEBUULPOWVAIM-UHFFFAOYSA-N 0 1 365.437 2.748 50 30 FFEAMN COc1ccc(N2C(=O)C[C@@H](SC(=N)Nc3ccccc3)C2=O)cc1 ZINC000013550135 524393103 /nfs/dbraw/zinc/39/31/03/524393103.db2.gz NHDWRKZDZXTELC-OAHLLOKOSA-N 0 1 355.419 2.707 50 30 FFEAMN COc1cc(/C=C\C(=O)c2cnnn2-c2ccccc2)cc([N+](=O)[O-])c1O ZINC000821007468 998605191 /nfs/dbraw/zinc/60/51/91/998605191.db2.gz INPPSWCAYNFASF-FPLPWBNLSA-N 0 1 366.333 2.786 50 30 FFEAMN N#CC(c1nc2cc([N+](=O)[O-])ccc2o1)=C1NS(=O)(=O)c2ccccc21 ZINC000005738932 207115587 /nfs/dbraw/zinc/11/55/87/207115587.db2.gz XVRKSBDYXQDMBH-NSHDSACASA-N 0 1 368.330 2.535 50 30 FFEAMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 ZINC000026529442 207917076 /nfs/dbraw/zinc/91/70/76/207917076.db2.gz FUTGUIDOJXYRCN-UHFFFAOYSA-N 0 1 350.783 2.799 50 30 FFEAMN N#Cc1ccc(CN2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1 ZINC000032986511 208063343 /nfs/dbraw/zinc/06/33/43/208063343.db2.gz SJICFXXZPBPJQX-UHFFFAOYSA-N 0 1 355.825 2.875 50 30 FFEAMN COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3ccccc3C#N)C[C@H]21 ZINC000095506380 209065463 /nfs/dbraw/zinc/06/54/63/209065463.db2.gz DDRCJZZKRRHGTA-TZIWHRDSSA-N 0 1 350.418 2.537 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)CCNC(=O)C2CCCC2)n1 ZINC000040154210 506476351 /nfs/dbraw/zinc/47/63/51/506476351.db2.gz QXPFUJWECUHSCS-UHFFFAOYSA-N 0 1 357.414 2.765 50 30 FFEAMN COC(=O)c1ccc([C@@H]2NC(=O)C(=O)C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000016741644 507105659 /nfs/dbraw/zinc/10/56/59/507105659.db2.gz SYDWAINLSRRAEB-HNNXBMFYSA-N 0 1 371.776 2.993 50 30 FFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000017139040 507117125 /nfs/dbraw/zinc/11/71/25/507117125.db2.gz NTCQKYPCXHNSSY-SFHVURJKSA-N 0 1 365.433 2.530 50 30 FFEAMN COc1ccc(CCN2C=C([O-])C(c3nc4ccc(C)cc4[nH]3)C2=[NH2+])cc1 ZINC000019820081 507201776 /nfs/dbraw/zinc/20/17/76/507201776.db2.gz ZUHYYSDFWTVFIL-UHFFFAOYSA-N 0 1 362.433 2.635 50 30 FFEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)CC1 ZINC000020503719 507223900 /nfs/dbraw/zinc/22/39/00/507223900.db2.gz JWYDIWHPMPBLOA-PDGQHHTCSA-N 0 1 354.406 2.739 50 30 FFEAMN C#CC1(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000022917926 507318852 /nfs/dbraw/zinc/31/88/52/507318852.db2.gz BKDKTFBTJZEBBY-OAQYLSRUSA-N 0 1 356.510 2.518 50 30 FFEAMN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)o1 ZINC000058178265 507380172 /nfs/dbraw/zinc/38/01/72/507380172.db2.gz JZJAJDMRJQCERE-OAHLLOKOSA-N 0 1 351.406 2.697 50 30 FFEAMN COC(=O)c1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cs1 ZINC000071714702 507708853 /nfs/dbraw/zinc/70/88/53/507708853.db2.gz SQQKUUCEJNSKIX-GXFFZTMASA-N 0 1 354.435 2.742 50 30 FFEAMN C=CCNC(=O)CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000299772277 511674607 /nfs/dbraw/zinc/67/46/07/511674607.db2.gz UVNGZWRSFAHOIL-WFXMLNOXSA-N 0 1 356.466 2.649 50 30 FFEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000091656630 519109889 /nfs/dbraw/zinc/10/98/89/519109889.db2.gz IQUZJHZQZZWOBU-QGZVFWFLSA-N 0 1 362.455 2.802 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000102805560 523790443 /nfs/dbraw/zinc/79/04/43/523790443.db2.gz KSSLRLCLWUVXLL-GHNGSUTGSA-N 0 1 367.401 2.763 50 30 FFEAMN Cc1ccc(S(=O)(=O)N=C(O)NCCc2c[nH]c3ccccc23)cc1 ZINC000001409242 525483670 /nfs/dbraw/zinc/48/36/70/525483670.db2.gz IUPSPKWOEHJPOA-UHFFFAOYSA-N 0 1 357.435 2.911 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000005445521 207100767 /nfs/dbraw/zinc/10/07/67/207100767.db2.gz DYOKPQDAEBAPNP-MRXNPFEDSA-N 0 1 368.345 2.812 50 30 FFEAMN C#CC(C)(C)OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012381137 532988003 /nfs/dbraw/zinc/98/80/03/532988003.db2.gz SPZBELCEWZYPKC-QGZVFWFLSA-N 0 1 370.415 2.617 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000019788483 220296176 /nfs/dbraw/zinc/29/61/76/220296176.db2.gz FWHMOCAPLULCTL-SFHVURJKSA-N 0 1 366.417 2.532 50 30 FFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000019788483 220296180 /nfs/dbraw/zinc/29/61/80/220296180.db2.gz FWHMOCAPLULCTL-SFHVURJKSA-N 0 1 366.417 2.532 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H](C)NC(=O)c2cccs2)n1 ZINC000052778885 506249873 /nfs/dbraw/zinc/24/98/73/506249873.db2.gz XTAHSDVDQGYWMC-JTQLQIEISA-N 0 1 371.422 2.948 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000013570764 506945172 /nfs/dbraw/zinc/94/51/72/506945172.db2.gz XGUOTXZSMMTLDT-MRXNPFEDSA-N 0 1 356.447 2.888 50 30 FFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2)cc1 ZINC000019138492 507157193 /nfs/dbraw/zinc/15/71/93/507157193.db2.gz QGHXVAOTRCRNLH-KBXCAEBGSA-N 0 1 351.402 2.954 50 30 FFEAMN O=C([N-]S(=O)(=O)c1ccc(F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000019857514 507203492 /nfs/dbraw/zinc/20/34/92/507203492.db2.gz PPYNBSFRXMRRLN-XJKSGUPXSA-N 0 1 370.446 2.710 50 30 FFEAMN COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccc1O)[N@@H+](C)CC3)OCO2 ZINC000020113950 507212115 /nfs/dbraw/zinc/21/21/15/507212115.db2.gz CIKFNCZXZHSFRE-XWCAUFEOSA-N 0 1 370.405 2.927 50 30 biogenic FFEAMN C=CCn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000020411762 507220314 /nfs/dbraw/zinc/22/03/14/507220314.db2.gz HXEVDNDJEKHDSF-OAHLLOKOSA-N 0 1 354.435 2.514 50 30 biogenic FFEAMN C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000253987424 509904056 /nfs/dbraw/zinc/90/40/56/509904056.db2.gz 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ZINC000244764168 509868752 /nfs/dbraw/zinc/86/87/52/509868752.db2.gz PCNJLXKFCKFOPN-UHFFFAOYSA-N 0 1 365.433 2.664 50 30 FFEAMN Cc1ccc(S(=O)(=O)c2nc(S)sc2N2CCOCC2)cc1 ZINC000334158949 511466945 /nfs/dbraw/zinc/46/69/45/511466945.db2.gz JBXVHDKPXXPCLL-UHFFFAOYSA-O 0 1 357.502 2.967 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000102874678 523791497 /nfs/dbraw/zinc/79/14/97/523791497.db2.gz YOZUOXRHRDWWGD-IBOXJLQUSA-N 0 1 373.430 2.825 50 30 FFEAMN N#CCCN(CCC#N)C(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000025052604 526454555 /nfs/dbraw/zinc/45/45/55/526454555.db2.gz NPCPJWPGORDBIK-UHFFFAOYSA-N 0 1 360.487 2.676 50 30 FFEAMN N#CCCN(CCC#N)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000025052604 526454557 /nfs/dbraw/zinc/45/45/57/526454557.db2.gz NPCPJWPGORDBIK-UHFFFAOYSA-N 0 1 360.487 2.676 50 30 FFEAMN COC(=O)c1cc(-c2c(C#N)c(N)nc3c2C[N@H+](C(C)C)CC3)cs1 ZINC000072144691 570525968 /nfs/dbraw/zinc/52/59/68/570525968.db2.gz JUDSJFJCBBDADP-UHFFFAOYSA-N 0 1 356.451 2.817 50 30 FFEAMN COC(=O)c1cc(-c2c(C#N)c(N)nc3c2CN(C(C)C)CC3)cs1 ZINC000072144691 570525973 /nfs/dbraw/zinc/52/59/73/570525973.db2.gz JUDSJFJCBBDADP-UHFFFAOYSA-N 0 1 356.451 2.817 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000102436630 209235347 /nfs/dbraw/zinc/23/53/47/209235347.db2.gz KNUKLYIWUIQCIY-UYTDBDHRSA-N 0 1 356.447 2.731 50 30 FFEAMN Cc1cc(C)c(NN=C2C(=O)N(C(N)=S)N=C2c2ccccc2)c(C)c1 ZINC000005488551 207102135 /nfs/dbraw/zinc/10/21/35/207102135.db2.gz GKQGTGWPEKZQBO-OQKWZONESA-N 0 1 365.462 2.870 50 30 FFEAMN Cc1cc(NN=Cc2ccco2)nc(NS(=O)(=O)c2ccccc2)n1 ZINC000006088843 207129619 /nfs/dbraw/zinc/12/96/19/207129619.db2.gz ZGKGVLZXCAQZSN-GZTJUZNOSA-N 0 1 357.395 2.625 50 30 FFEAMN O=c1c(C2=NCCCC2)c(NC2=[NH+]CCCCC2)[n-]n1-c1ccccc1 ZINC000008132320 207221176 /nfs/dbraw/zinc/22/11/76/207221176.db2.gz YCTRGPRAQVILML-VLGSPTGOSA-N 0 1 351.454 2.936 50 30 FFEAMN CC(=O)N[C@@H]1C(=O)N2c3ccccc3NC2=C(C(C)=O)[C@@H]1c1ccccc1 ZINC000009644777 207280243 /nfs/dbraw/zinc/28/02/43/207280243.db2.gz NQDZTIURUQKLDQ-OALUTQOASA-N 0 1 361.401 2.548 50 30 FFEAMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000095953364 209090239 /nfs/dbraw/zinc/09/02/39/209090239.db2.gz BLGWSZISUHDCFQ-JTQLQIEISA-N 0 1 374.495 2.766 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@@H]2NC(=O)c3ccccc32)n1 ZINC000095477919 209058432 /nfs/dbraw/zinc/05/84/32/209058432.db2.gz MLKOMRDRIRTHOP-AWEZNQCLSA-N 0 1 363.377 2.943 50 30 FFEAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000082050521 132193620 /nfs/dbraw/zinc/19/36/20/132193620.db2.gz KPVZHNBVRQNAMM-UHFFFAOYSA-N 0 1 366.469 2.753 50 30 FFEAMN O=C(N1CCN2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053332872 506356220 /nfs/dbraw/zinc/35/62/20/506356220.db2.gz YSEDKLFURRHTDJ-ZETCQYMHSA-N 0 1 372.231 2.761 50 30 FFEAMN C=CCOc1c(Cl)cc(CN2CC[C@@H](C(=O)NCC)C2)cc1OC ZINC000055199734 506697213 /nfs/dbraw/zinc/69/72/13/506697213.db2.gz LHSDXZPQVYFSRE-CQSZACIVSA-N 0 1 352.862 2.871 50 30 FFEAMN N#Cc1ccccc1OCC(=O)n1cc(C(=O)c2cc(F)ccc2O)cn1 ZINC000014167186 506974242 /nfs/dbraw/zinc/97/42/42/506974242.db2.gz MHEMGJJVPRVCRL-UHFFFAOYSA-N 0 1 365.320 2.550 50 30 FFEAMN CONC=NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020218886 507215957 /nfs/dbraw/zinc/21/59/57/507215957.db2.gz YAXGBWMPVCZAFI-UHFFFAOYSA-N 0 1 364.755 2.676 50 30 FFEAMN CC(C)Oc1nc2ccccc2nc1C(C#N)C(=O)NCc1ccco1 ZINC000005484507 519785793 /nfs/dbraw/zinc/78/57/93/519785793.db2.gz PLISZDANOZRIJQ-AWEZNQCLSA-N 0 1 350.378 2.934 50 30 FFEAMN COCc1cc(=O)[nH]c(NC(=N)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000015985600 522903593 /nfs/dbraw/zinc/90/35/93/522903593.db2.gz HEIUVWXGUHFISP-UHFFFAOYSA-N 0 1 365.393 2.767 50 30 FFEAMN CSC(=N)NN=Cc1cc(Br)cc(Br)c1O ZINC000252680219 525291977 /nfs/dbraw/zinc/29/19/77/525291977.db2.gz XQMJSDXMUFHKER-UHFFFAOYSA-N 0 1 367.066 2.929 50 30 FFEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000019928004 525790210 /nfs/dbraw/zinc/79/02/10/525790210.db2.gz SQWMHSBMJPOGHH-QGZVFWFLSA-N 0 1 372.396 2.867 50 30 FFEAMN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000019884208 525985622 /nfs/dbraw/zinc/98/56/22/525985622.db2.gz CXYZDUZUGKGHDF-HNNXBMFYSA-N 0 1 360.435 2.789 50 30 FFEAMN CC(C)(O)C#Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000952979492 1011025173 /nfs/dbraw/zinc/02/51/73/1011025173.db2.gz QCFOZENSYMQOMH-LJQANCHMSA-N 0 1 366.461 2.969 50 30 FFEAMN C=CCN1CC[C@]2(CN(C(=O)Nc3ccccc3F)CCN2C)CCC1=O ZINC000095354107 210083992 /nfs/dbraw/zinc/08/39/92/210083992.db2.gz LXBPNFJTVWNHJV-FQEVSTJZSA-N 0 1 374.460 2.542 50 30 FFEAMN C=CCn1cc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c(C)n1 ZINC000055036622 210067904 /nfs/dbraw/zinc/06/79/04/210067904.db2.gz KPKUXEQKQKKFLM-UHFFFAOYSA-N 0 1 351.454 2.776 50 30 FFEAMN C=C(C)CN(CC)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000040161504 210045047 /nfs/dbraw/zinc/04/50/47/210045047.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 0 1 357.454 2.756 50 30 FFEAMN C=C(C)CN(CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000040161504 210045050 /nfs/dbraw/zinc/04/50/50/210045050.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 0 1 357.454 2.756 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC000052778943 211911416 /nfs/dbraw/zinc/91/14/16/211911416.db2.gz YLSLKNOYHJLVBU-OAHLLOKOSA-N 0 1 364.361 2.850 50 30 FFEAMN CCOC(=O)C(CC#CCN1CCCC[C@H]1c1cccnc1)C(=O)OCC ZINC000061999400 221138108 /nfs/dbraw/zinc/13/81/08/221138108.db2.gz BJQPESVQPROFRD-IBGZPJMESA-N 0 1 372.465 2.745 50 30 biogenic FFEAMN N#C[C@@H]1CCCN(Cc2cccc(OCCCCN3CCOCC3)c2)C1 ZINC000215114960 526500347 /nfs/dbraw/zinc/50/03/47/526500347.db2.gz NOOJAJKJPOASHD-FQEVSTJZSA-N 0 1 357.498 2.913 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000018142494 220224780 /nfs/dbraw/zinc/22/47/80/220224780.db2.gz VWFXPEAKVPRGCC-QGZVFWFLSA-N 0 1 353.374 2.912 50 30 biogenic FFEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000017971484 211188211 /nfs/dbraw/zinc/18/82/11/211188211.db2.gz KTDRPKOFZFSWDJ-INIZCTEOSA-N 0 1 357.793 2.911 50 30 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30 FFEAMN C=CCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1cccc(OC)c1 ZINC000055090298 518782451 /nfs/dbraw/zinc/78/24/51/518782451.db2.gz QZFDXZPGDQXIBB-UHFFFAOYSA-N 0 1 360.479 2.792 50 30 FFEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000104200653 525979717 /nfs/dbraw/zinc/97/97/17/525979717.db2.gz BUINGMMZDZOTBR-GHNGSUTGSA-N 0 1 368.433 2.880 50 30 FFEAMN CCc1nccn1[C@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000329304721 971050555 /nfs/dbraw/zinc/05/05/55/971050555.db2.gz OLPYYVHMBRIWAF-INIZCTEOSA-N 0 1 352.442 2.844 50 30 FFEAMN Oc1ccc(Br)c(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000002789478 204057899 /nfs/dbraw/zinc/05/78/99/204057899.db2.gz OOKDCMWGQIXJLD-SYZQJQIISA-N 0 1 367.150 2.936 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 ZINC000005576849 204216127 /nfs/dbraw/zinc/21/61/27/204216127.db2.gz FZYZWJLFABDXRG-IBOXJLQUSA-N 0 1 374.824 2.916 50 30 FFEAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000012561202 136151571 /nfs/dbraw/zinc/15/15/71/136151571.db2.gz HHMKWZCDBSDZBP-UHFFFAOYSA-N 0 1 370.478 2.501 50 30 FFEAMN C/C(=N\NS(=O)(=O)c1ccc2ccccc2c1)c1c(O)cc(C)oc1=O ZINC000017076201 507115648 /nfs/dbraw/zinc/11/56/48/507115648.db2.gz JPKSWBRMEXNNBA-XDHOZWIPSA-N 0 1 372.402 2.510 50 30 FFEAMN CCOC(=O)c1sc2nc(C)cc(C)c2c1N=NC(C#N)C(=O)OCC ZINC000252603437 509854751 /nfs/dbraw/zinc/85/47/51/509854751.db2.gz FRBFRHPEPZKBCF-UHFFFAOYSA-N 0 1 374.422 2.944 50 30 FFEAMN Cc1cc(C2N=NC(=S)N2N=Cc2ccccc2Br)[nH]n1 ZINC000005625937 204218764 /nfs/dbraw/zinc/21/87/64/204218764.db2.gz RXJALLCNAGLTLT-VIZOYTHASA-N 0 1 363.244 2.910 50 30 FFEAMN COc1ccc(-c2nc(SCCn3cccn3)[nH]c(=O)c2C#N)cc1 ZINC000058167486 205252279 /nfs/dbraw/zinc/25/22/79/205252279.db2.gz KCLURHOLCNTOAR-UHFFFAOYSA-N 0 1 353.407 2.718 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000005445549 206196435 /nfs/dbraw/zinc/19/64/35/206196435.db2.gz VWFXPEAKVPRGCC-KRWDZBQOSA-N 0 1 353.374 2.912 50 30 biogenic FFEAMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000014093902 506964640 /nfs/dbraw/zinc/96/46/40/506964640.db2.gz VSOBPBOVFLCHLJ-UHFFFAOYSA-N 0 1 371.447 2.639 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000019997153 507207931 /nfs/dbraw/zinc/20/79/31/507207931.db2.gz UQPQGJHTQLYJMK-INIZCTEOSA-N 0 1 356.447 2.888 50 30 FFEAMN COc1ccc(OC2CCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)CC2)cc1 ZINC000072479127 507796701 /nfs/dbraw/zinc/79/67/01/507796701.db2.gz BKIAKAQIRDSXGV-UHFFFAOYSA-N 0 1 367.405 2.660 50 30 FFEAMN CN1CC[C@@H](N2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)C1=O ZINC000329054023 511973736 /nfs/dbraw/zinc/97/37/36/511973736.db2.gz AMDVKHOQMIMDBP-MRXNPFEDSA-N 0 1 367.852 2.673 50 30 FFEAMN C=CCn1cc(CNCCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1 ZINC000067757017 519280124 /nfs/dbraw/zinc/28/01/24/519280124.db2.gz ZRTDJDKAFNJPFL-UHFFFAOYSA-N 0 1 357.483 2.625 50 30 FFEAMN COc1cc(C=NNC2=NC(=O)CS2)ccc1OCc1ccccc1 ZINC000017242275 521990539 /nfs/dbraw/zinc/99/05/39/521990539.db2.gz TVSWOCKDVQOPDU-VXLYETTFSA-N 0 1 355.419 2.827 50 30 FFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C)cc2)cc1 ZINC000009110864 523558803 /nfs/dbraw/zinc/55/88/03/523558803.db2.gz WHZKHECMQZSJAH-SFHVURJKSA-N 0 1 367.401 2.574 50 30 FFEAMN C[C@@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C[C@H](C)O1 ZINC000252695393 524965375 /nfs/dbraw/zinc/96/53/75/524965375.db2.gz ZHQRYBIJOKTXQH-YEPMRCTPSA-N 0 1 363.498 2.623 50 30 biogenic FFEAMN CCN(C[C@H]1CC[N@@H+](CC)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952970789 740471870 /nfs/dbraw/zinc/47/18/70/740471870.db2.gz TWRAPBZBRHOMNB-AWEZNQCLSA-N 0 1 355.891 2.564 50 30 FFEAMN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1c(F)cccc1F)C2 ZINC000014530721 1021647057 /nfs/dbraw/zinc/64/70/57/1021647057.db2.gz PCMBEDZWMOIVKO-CYBMUJFWSA-N 0 1 374.435 2.696 50 30 FFEAMN Cc1nc(N2CCC[N@@H+](Cc3cccs3)CC2)c(C#N)cc1C(=O)[O-] ZINC001529111970 1062169069 /nfs/dbraw/zinc/16/90/69/1062169069.db2.gz CWTRWQXSVVJZFR-UHFFFAOYSA-N 0 1 356.451 2.734 50 30 FFEAMN N#CC(c1nc2cc([N+](=O)[O-])ccc2o1)=C1NS(=O)(=O)c2ccccc21 ZINC000006864674 204276733 /nfs/dbraw/zinc/27/67/33/204276733.db2.gz XVRKSBDYXQDMBH-LLVKDONJSA-N 0 1 368.330 2.535 50 30 FFEAMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CCc2ccccc2)CC1 ZINC000022933675 204791277 /nfs/dbraw/zinc/79/12/77/204791277.db2.gz ZDOUHCGWTAFKOE-GOSISDBHSA-N 0 1 362.477 2.746 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000019902895 206328845 /nfs/dbraw/zinc/32/88/45/206328845.db2.gz YVLGHJZAWABXNK-SFHVURJKSA-N 0 1 368.408 2.966 50 30 FFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000019902895 206328847 /nfs/dbraw/zinc/32/88/47/206328847.db2.gz YVLGHJZAWABXNK-SFHVURJKSA-N 0 1 368.408 2.966 50 30 FFEAMN N#Cc1ccc(N2CCC(NCc3nncn3C3CCCCC3)CC2)nc1 ZINC000095529875 132215013 /nfs/dbraw/zinc/21/50/13/132215013.db2.gz YGUWHHBMIXUABJ-UHFFFAOYSA-N 0 1 365.485 2.809 50 30 FFEAMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000039935292 506455523 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C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@]2(C(=O)[O-])C1 ZINC000096180119 508209423 /nfs/dbraw/zinc/20/94/23/508209423.db2.gz AXLIKFSQCMVGAA-AUUYWEPGSA-N 0 1 356.447 2.546 50 30 FFEAMN Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000100150289 508238777 /nfs/dbraw/zinc/23/87/77/508238777.db2.gz BLDKJWTUGAYYRA-CAOOACKPSA-N 0 1 360.830 2.639 50 30 FFEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(N)=O ZINC000005916000 521995958 /nfs/dbraw/zinc/99/59/58/521995958.db2.gz GOSMQBYWKGXXHD-DJKKODMXSA-N 0 1 356.407 2.615 50 30 FFEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(N)=O ZINC000005916000 521995967 /nfs/dbraw/zinc/99/59/67/521995967.db2.gz GOSMQBYWKGXXHD-DJKKODMXSA-N 0 1 356.407 2.615 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 ZINC000006786524 523557561 /nfs/dbraw/zinc/55/75/61/523557561.db2.gz BSYGDHMKMNVSIX-SFHVURJKSA-N 0 1 367.401 2.656 50 30 biogenic FFEAMN C#CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CCCCC1 ZINC000103958635 570855046 /nfs/dbraw/zinc/85/50/46/570855046.db2.gz AGTSGKOOXORFMV-UHFFFAOYSA-N 0 1 355.463 2.630 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)C=Cc2ccco2)[C@H]1c1ccccc1 ZINC000102392900 1014118022 /nfs/dbraw/zinc/11/80/22/1014118022.db2.gz VZRAVMKWSLHAHQ-HJCTWCACSA-N 0 1 353.374 2.904 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000102436625 209236408 /nfs/dbraw/zinc/23/64/08/209236408.db2.gz KNUKLYIWUIQCIY-IBOXJLQUSA-N 0 1 356.447 2.731 50 30 FFEAMN C=CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095370137 206692311 /nfs/dbraw/zinc/69/23/11/206692311.db2.gz YPFXGLGPWGCTJQ-ZLGUVYLKSA-N 0 1 354.450 2.770 50 30 FFEAMN C#CCOc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000002992623 132284018 /nfs/dbraw/zinc/28/40/18/132284018.db2.gz ZLYWRPFGOCQURR-GHRIWEEISA-N 0 1 362.410 2.530 50 30 FFEAMN C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421435 132373450 /nfs/dbraw/zinc/37/34/50/132373450.db2.gz DJKCECRJBDPFIG-AZUAARDMSA-N 0 1 364.917 2.950 50 30 FFEAMN Cc1nnc(N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C ZINC000057142532 136128296 /nfs/dbraw/zinc/12/82/96/136128296.db2.gz NMUNEELEVLJQQU-INIZCTEOSA-N 0 1 350.470 2.890 50 30 FFEAMN CCc1nc(SCC(=O)N(CC)c2cccc(C)c2)[nH]c(=O)c1C#N ZINC000005238972 506430384 /nfs/dbraw/zinc/43/03/84/506430384.db2.gz KPGSYJMPSJKUNC-UHFFFAOYSA-N 0 1 356.451 2.658 50 30 FFEAMN C#CC1(OC[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419869 506862047 /nfs/dbraw/zinc/86/20/47/506862047.db2.gz GLYLDZJJRNDIKA-LJQANCHMSA-N 0 1 373.493 2.776 50 30 biogenic FFEAMN C=CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000016671010 507103514 /nfs/dbraw/zinc/10/35/14/507103514.db2.gz LGEFNBRRCXRSDH-YRNVUSSQSA-N 0 1 352.393 2.696 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(O)c2)cc1 ZINC000019138371 507157397 /nfs/dbraw/zinc/15/73/97/507157397.db2.gz UONFLIQGIMNBPK-UGSOOPFHSA-N 0 1 367.401 2.660 50 30 FFEAMN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000019216349 507160420 /nfs/dbraw/zinc/16/04/20/507160420.db2.gz UBWHMWJFXWIAQG-QGZVFWFLSA-N 0 1 354.406 2.728 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000019582795 507182877 /nfs/dbraw/zinc/18/28/77/507182877.db2.gz SMTCNGSZCHWCLS-SFHVURJKSA-N 0 1 350.418 2.827 50 30 FFEAMN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000084005438 508262909 /nfs/dbraw/zinc/26/29/09/508262909.db2.gz YVJGWORUDGDUKR-UHFFFAOYSA-N 0 1 353.304 2.826 50 30 FFEAMN C[C@@]1(C#N)CCCN(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000534590135 517956731 /nfs/dbraw/zinc/95/67/31/517956731.db2.gz JOURZUOMGUGMTN-FQEVSTJZSA-N 0 1 356.470 2.692 50 30 FFEAMN C=CCNC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000034684230 518933759 /nfs/dbraw/zinc/93/37/59/518933759.db2.gz GUCWTUHRKPYPEL-UHFFFAOYSA-N 0 1 365.477 2.933 50 30 FFEAMN CCCOc1nc2ccccc2nc1C(C#N)C(=O)NCc1ccco1 ZINC000005452281 520497573 /nfs/dbraw/zinc/49/75/73/520497573.db2.gz UQBGIYGKUZFFDB-AWEZNQCLSA-N 0 1 350.378 2.935 50 30 FFEAMN O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000008740602 526267684 /nfs/dbraw/zinc/26/76/84/526267684.db2.gz QYQSPCDCQWYYEN-MRXNPFEDSA-N 0 1 373.792 2.616 50 30 FFEAMN Cc1nc(C)c(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000072921398 526726569 /nfs/dbraw/zinc/72/65/69/526726569.db2.gz LLMXXPDVWVCWAR-UHFFFAOYSA-N 0 1 360.483 2.558 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000102929615 209243743 /nfs/dbraw/zinc/24/37/43/209243743.db2.gz WKOMKVROLYVYLP-GHNGSUTGSA-N 0 1 368.408 2.809 50 30 FFEAMN Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(O)c2)no1 ZINC000102558105 209237164 /nfs/dbraw/zinc/23/71/64/209237164.db2.gz NLMDQZQJMLDEQT-UYTDBDHRSA-N 0 1 366.329 2.908 50 30 FFEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(O)c2)no1 ZINC000102558105 209237165 /nfs/dbraw/zinc/23/71/65/209237165.db2.gz NLMDQZQJMLDEQT-UYTDBDHRSA-N 0 1 366.329 2.908 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccncc1 ZINC000004537360 207026650 /nfs/dbraw/zinc/02/66/50/207026650.db2.gz WBYJONHISVSLCO-GOSISDBHSA-N 0 1 366.417 2.923 50 30 FFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)OC12C(=O)c1ccccc1C2=O ZINC000005484110 207102438 /nfs/dbraw/zinc/10/24/38/207102438.db2.gz XRRHWJLPHHKQRC-UHFFFAOYSA-N 0 1 368.728 2.710 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000006786409 207165090 /nfs/dbraw/zinc/16/50/90/207165090.db2.gz GWORMMGWDKKRAW-INIZCTEOSA-N 0 1 373.430 2.981 50 30 FFEAMN C#CC(C)(C)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000016577023 532988260 /nfs/dbraw/zinc/98/82/60/532988260.db2.gz NGJATZCHDYUODI-KRWDZBQOSA-N 0 1 350.890 2.560 50 30 FFEAMN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)o1 ZINC000033151378 208074683 /nfs/dbraw/zinc/07/46/83/208074683.db2.gz MEFZFESSNPUVPH-UHFFFAOYSA-N 0 1 353.425 2.542 50 30 FFEAMN C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421434 533276821 /nfs/dbraw/zinc/27/68/21/533276821.db2.gz DJKCECRJBDPFIG-ICSRJNTNSA-N 0 1 364.917 2.950 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC000052778942 506249110 /nfs/dbraw/zinc/24/91/10/506249110.db2.gz YLSLKNOYHJLVBU-HNNXBMFYSA-N 0 1 364.361 2.850 50 30 FFEAMN Cc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1N1CCCC1=O ZINC000012652483 506887652 /nfs/dbraw/zinc/88/76/52/506887652.db2.gz RCTISKYVQZSCGR-UHFFFAOYSA-N 0 1 355.419 2.794 50 30 FFEAMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000013098047 506929024 /nfs/dbraw/zinc/92/90/24/506929024.db2.gz DPJVSSOIHKNUCO-AZUAARDMSA-N 0 1 367.474 2.863 50 30 FFEAMN COCCCN1C[C@@]2(CCCN(Cc3ccccc3C#N)C2)CCC1=O ZINC000077357415 508304953 /nfs/dbraw/zinc/30/49/53/508304953.db2.gz QVTARDKSAXXKCR-NRFANRHFSA-N 0 1 355.482 2.799 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104016428 508326417 /nfs/dbraw/zinc/32/64/17/508326417.db2.gz HXKXEQAHBYCKEO-UYTDBDHRSA-N 0 1 352.346 2.955 50 30 FFEAMN CN1CCN([C@@H]2CCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)CC1 ZINC000426730260 514026531 /nfs/dbraw/zinc/02/65/31/514026531.db2.gz BMLMPVPOZNHCFC-OAQYLSRUSA-N 0 1 374.488 2.687 50 30 FFEAMN Cc1cnc(C2CC2)n1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000575550339 518231774 /nfs/dbraw/zinc/23/17/74/518231774.db2.gz VMZCHIJQORRUSY-INIZCTEOSA-N 0 1 356.451 2.576 50 30 FFEAMN C=C(C)COc1cccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c1 ZINC000299760894 518621229 /nfs/dbraw/zinc/62/12/29/518621229.db2.gz RSGPPCAOGLXZJU-IBGZPJMESA-N 0 1 373.497 2.952 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000006786300 523796743 /nfs/dbraw/zinc/79/67/43/523796743.db2.gz GWORMMGWDKKRAW-MRXNPFEDSA-N 0 1 373.430 2.981 50 30 FFEAMN COc1ccc(CC(=N)NOC(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000005720745 523864716 /nfs/dbraw/zinc/86/47/16/523864716.db2.gz VULZJYHNOAHRQE-UHFFFAOYSA-N 0 1 362.813 2.958 50 30 FFEAMN COc1ccc(CC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 ZINC000058179893 523916267 /nfs/dbraw/zinc/91/62/67/523916267.db2.gz PYNNXPAUTUBOSU-UHFFFAOYSA-N 0 1 368.481 2.606 50 30 FFEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1 ZINC000009110376 525389835 /nfs/dbraw/zinc/38/98/35/525389835.db2.gz KERLSMVSKUSEIX-SFHVURJKSA-N 0 1 367.401 2.656 50 30 FFEAMN C[C@@H](O)CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000006295060 525786559 /nfs/dbraw/zinc/78/65/59/525786559.db2.gz BMMVSPSOCOMPRR-SJKOYZFVSA-N 0 1 355.365 2.785 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1 ZINC000104139401 525943987 /nfs/dbraw/zinc/94/39/87/525943987.db2.gz RETOVWIILAIDKK-GHNGSUTGSA-N 0 1 369.392 2.938 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 ZINC000104077541 525945296 /nfs/dbraw/zinc/94/52/96/525945296.db2.gz DELUQZGUKFWIAY-SELCWUDQSA-N 0 1 351.402 2.799 50 30 FFEAMN COc1ccc(C(=N)NOC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 ZINC000033411946 990283490 /nfs/dbraw/zinc/28/34/90/990283490.db2.gz HSWFXSNFNCEMGO-WZUFQYTHSA-N 0 1 356.378 2.589 50 30 FFEAMN COc1ccc([C@@H](CNC=C2C(=O)Oc3ccccc3C2=O)N(C)C)cc1 ZINC000824654571 999243201 /nfs/dbraw/zinc/24/32/01/999243201.db2.gz NPJOCTYPJCHBGQ-XUDLPTGHSA-N 0 1 366.417 2.573 50 30 FFEAMN C#CCCC1(CCC(=O)N2CCN(CCn3c(C)ccc3C)CC2)N=N1 ZINC000952881615 1011006032 /nfs/dbraw/zinc/00/60/32/1011006032.db2.gz MCAZGCDYFPPJJC-UHFFFAOYSA-N 0 1 355.486 2.605 50 30 FFEAMN C=CCN1C(=O)S/C(=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000016266796 210145132 /nfs/dbraw/zinc/14/51/32/210145132.db2.gz IOJQTQFCBCPBQB-XYOKQWHBSA-N 0 1 350.352 2.921 50 30 FFEAMN C#CCOc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1OCC ZINC000007127623 210107441 /nfs/dbraw/zinc/10/74/41/210107441.db2.gz SGPDWXBQXCWDTI-GOSISDBHSA-N 0 1 361.405 2.543 50 30 FFEAMN CN1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3ccccc3OCCO)c12 ZINC000071750597 221362045 /nfs/dbraw/zinc/36/20/45/221362045.db2.gz QNZGMVRLMXFYPD-SUMWQHHRSA-N 0 1 364.449 2.655 50 30 FFEAMN C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ccc(O)c(Cl)c1 ZINC000082166777 132197584 /nfs/dbraw/zinc/19/75/84/132197584.db2.gz SATIXNTXBXIDAE-LBPRGKRZSA-N 0 1 369.808 2.795 50 30 FFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102430915 222297269 /nfs/dbraw/zinc/29/72/69/222297269.db2.gz YBXUBOBKPNKUHH-LFVOPCPISA-N 0 1 364.445 2.978 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102430915 222297273 /nfs/dbraw/zinc/29/72/73/222297273.db2.gz YBXUBOBKPNKUHH-LFVOPCPISA-N 0 1 364.445 2.978 50 30 FFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102613833 222301685 /nfs/dbraw/zinc/30/16/85/222301685.db2.gz OBAWDXJIPXEOCV-UYTDBDHRSA-N 0 1 368.345 2.655 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000005013457 263337502 /nfs/dbraw/zinc/33/75/02/263337502.db2.gz SWKRGKYQVXYIJS-GOSISDBHSA-N 0 1 367.401 2.920 50 30 FFEAMN Cc1cccc(N2CCN(CCCNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000032824346 506299830 /nfs/dbraw/zinc/29/98/30/506299830.db2.gz KNWIMOWNDWPWAT-UHFFFAOYSA-N 0 1 362.477 2.809 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000005445201 506442498 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CN1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3cccc(OCCO)c3)c12 ZINC000071752677 221364042 /nfs/dbraw/zinc/36/40/42/221364042.db2.gz JSNJXZMCHXAXME-KBXCAEBGSA-N 0 1 364.449 2.655 50 30 FFEAMN N#Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095381915 221887092 /nfs/dbraw/zinc/88/70/92/221887092.db2.gz KLFNKLPEKYOEBI-BHDDXSALSA-N 0 1 373.456 2.966 50 30 FFEAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H](C)NC(=O)c2cccs2)n1 ZINC000052778886 506249488 /nfs/dbraw/zinc/24/94/88/506249488.db2.gz XTAHSDVDQGYWMC-SNVBAGLBSA-N 0 1 371.422 2.948 50 30 FFEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCc3ccccc3[C@@H]1CC2=O ZINC000002097459 506272249 /nfs/dbraw/zinc/27/22/49/506272249.db2.gz KNBZHZUPWBHCEM-KBXCAEBGSA-N 0 1 353.418 2.601 50 30 biogenic FFEAMN CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccccc1C#N ZINC000004183046 506363990 /nfs/dbraw/zinc/36/39/90/506363990.db2.gz IFBQTVWSJLWIGI-CXUHLZMHSA-N 0 1 363.373 2.716 50 30 FFEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2n[nH]c3c2CCC3)cc1OC ZINC000005625636 506451397 /nfs/dbraw/zinc/45/13/97/506451397.db2.gz LUKXAZWIBNZGCK-GIJQJNRQSA-N 0 1 370.438 2.719 50 30 FFEAMN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000048355858 507506757 /nfs/dbraw/zinc/50/67/57/507506757.db2.gz WZCKSFKWFQXTLG-MRXNPFEDSA-N 0 1 364.449 2.501 50 30 FFEAMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(CN2CCc3ccccc32)CC1 ZINC000111307724 508089200 /nfs/dbraw/zinc/08/92/00/508089200.db2.gz BIIFGPGPYIDUTL-JOCHJYFZSA-N 0 1 368.525 2.816 50 30 FFEAMN CC(C)Cn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000254305363 509904670 /nfs/dbraw/zinc/90/46/70/509904670.db2.gz OINJQVASVDKVIF-UHFFFAOYSA-N 0 1 374.832 2.591 50 30 FFEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1C[C@H](C)O ZINC000005124194 524747949 /nfs/dbraw/zinc/74/79/49/524747949.db2.gz JBFBWXNANUTGIY-SCLBCKFNSA-N 0 1 367.401 2.654 50 30 FFEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1 ZINC000009110375 525225431 /nfs/dbraw/zinc/22/54/31/525225431.db2.gz KERLSMVSKUSEIX-GOSISDBHSA-N 0 1 367.401 2.656 50 30 FFEAMN C[C@@H](O)CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000002459065 525787740 /nfs/dbraw/zinc/78/77/40/525787740.db2.gz BMMVSPSOCOMPRR-PXAZEXFGSA-N 0 1 355.365 2.785 50 30 FFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000017044844 526021576 /nfs/dbraw/zinc/02/15/76/526021576.db2.gz UQCAIOVPBMIOEJ-GOSISDBHSA-N 0 1 365.433 2.530 50 30 FFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000017139043 526021999 /nfs/dbraw/zinc/02/19/99/526021999.db2.gz NTCQKYPCXHNSSY-GOSISDBHSA-N 0 1 365.433 2.530 50 30 FFEAMN COc1cc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)cc(OC)c1OC ZINC000012913539 211006844 /nfs/dbraw/zinc/00/68/44/211006844.db2.gz OTTXAUNLZDEIPM-UHFFFAOYSA-N 0 1 358.354 2.921 50 30 FFEAMN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012421432 533276235 /nfs/dbraw/zinc/27/62/35/533276235.db2.gz UERUPUAVVXIPPP-MOPGFXCFSA-N 0 1 350.890 2.641 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104016433 222349291 /nfs/dbraw/zinc/34/92/91/222349291.db2.gz HXKXEQAHBYCKEO-IBOXJLQUSA-N 0 1 352.346 2.955 50 30 FFEAMN C#CC1(OC[C@@H](O)CN2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419871 263370614 /nfs/dbraw/zinc/37/06/14/263370614.db2.gz GLYLDZJJRNDIKA-IBGZPJMESA-N 0 1 373.493 2.776 50 30 biogenic FFEAMN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000009514173 506700922 /nfs/dbraw/zinc/70/09/22/506700922.db2.gz KNHJISOUNCKCGS-UHFFFAOYSA-N 0 1 373.434 2.547 50 30 FFEAMN C=C(C)COc1cccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c1 ZINC000299760897 518620829 /nfs/dbraw/zinc/62/08/29/518620829.db2.gz RSGPPCAOGLXZJU-LJQANCHMSA-N 0 1 373.497 2.952 50 30 FFEAMN CC[C@@H](Oc1ccccc1)C(=O)ONC(=N)Cc1ccc([N+](=O)[O-])cc1 ZINC000004985696 523056709 /nfs/dbraw/zinc/05/67/09/523056709.db2.gz DAFLPVSEMJZGNO-MRXNPFEDSA-N 0 1 357.366 2.810 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 ZINC000018038112 526022628 /nfs/dbraw/zinc/02/26/28/526022628.db2.gz WBJFWEZGXJCXKS-SFHVURJKSA-N 0 1 351.402 2.956 50 30 FFEAMN COc1cccc(N2C(=O)C[C@H](SC(=N)Nc3ccccc3)C2=O)c1 ZINC000002490032 526141139 /nfs/dbraw/zinc/14/11/39/526141139.db2.gz CSAMBJRMQUYYSQ-HNNXBMFYSA-N 0 1 355.419 2.707 50 30 FFEAMN COc1cccc(NC(=O)NCC#CCN(C)Cc2ccccc2)c1OC ZINC000075165165 526191752 /nfs/dbraw/zinc/19/17/52/526191752.db2.gz BVVRLCIBHUVKNW-UHFFFAOYSA-N 0 1 367.449 2.961 50 30 FFEAMN N#Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000078954226 526720956 /nfs/dbraw/zinc/72/09/56/526720956.db2.gz SRCAXDZYERMXLK-AZUAARDMSA-N 0 1 364.449 2.563 50 30 FFEAMN C=CCN(C[C@H](O)COCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983658 570866253 /nfs/dbraw/zinc/86/62/53/570866253.db2.gz BGXQEDAMVPUSHZ-DLBZAZTESA-N 0 1 352.862 2.718 50 30 FFEAMN C=CCOC[C@@H](O)C[N@@H+](CC=C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146677 210170872 /nfs/dbraw/zinc/17/08/72/210170872.db2.gz VQDNPYBDEOEKFN-ZWKOTPCHSA-N 0 1 364.873 2.885 50 30 FFEAMN C=CCOC[C@@H](O)CN(CC=C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146677 210170874 /nfs/dbraw/zinc/17/08/74/210170874.db2.gz VQDNPYBDEOEKFN-ZWKOTPCHSA-N 0 1 364.873 2.885 50 30 FFEAMN C=CCOc1c(Br)cc(CNCC(OC)OC)cc1OC ZINC000007986230 210134806 /nfs/dbraw/zinc/13/48/06/210134806.db2.gz JHCUFKPOBNSGCH-UHFFFAOYSA-N 0 1 360.248 2.731 50 30 FFEAMN Cc1nc(CN(C)C(=O)c2c[nH]c(C#N)c2)[nH]c1-c1cccc([N+](=O)[O-])c1 ZINC000097048247 222155885 /nfs/dbraw/zinc/15/58/85/222155885.db2.gz HPFAWVOPBHXFON-UHFFFAOYSA-N 0 1 364.365 2.765 50 30 FFEAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCCC#N ZINC000004491545 506377838 /nfs/dbraw/zinc/37/78/38/506377838.db2.gz UAGSHACZOMIVIG-CYBMUJFWSA-N 0 1 364.199 2.534 50 30 FFEAMN CC1=NC(=O)N[C@@H](c2cccc(Br)c2)C1C(=O)OCCC#N ZINC000004491543 506378186 /nfs/dbraw/zinc/37/81/86/506378186.db2.gz UAGSHACZOMIVIG-ZDUSSCGKSA-N 0 1 364.199 2.534 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc(O)c2)cc1 ZINC000019138378 507157562 /nfs/dbraw/zinc/15/75/62/507157562.db2.gz UONFLIQGIMNBPK-FZKQIMNGSA-N 0 1 367.401 2.660 50 30 FFEAMN C#CC1(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000022917932 507320089 /nfs/dbraw/zinc/32/00/89/507320089.db2.gz BKDKTFBTJZEBBY-NRFANRHFSA-N 0 1 356.510 2.518 50 30 FFEAMN N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(-c3ncc[nH]3)c2)c(F)c1 ZINC000096008953 508202320 /nfs/dbraw/zinc/20/23/20/508202320.db2.gz MDHZIFSBTCVDEG-UHFFFAOYSA-N 0 1 374.372 2.705 50 30 FFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000103960870 508324714 /nfs/dbraw/zinc/32/47/14/508324714.db2.gz LEXCUALCSLRXQM-GHNGSUTGSA-N 0 1 367.401 2.850 50 30 FFEAMN C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000020805954 519147471 /nfs/dbraw/zinc/14/74/71/519147471.db2.gz JTFGCEVZUXFNIO-OAQYLSRUSA-N 0 1 352.478 2.977 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000004427777 521756289 /nfs/dbraw/zinc/75/62/89/521756289.db2.gz XJUPFIHMXMEERR-UYTDBDHRSA-N 0 1 374.437 2.871 50 30 FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc(O)c1 ZINC000004311955 523796388 /nfs/dbraw/zinc/79/63/88/523796388.db2.gz XMQTYHSIIGHGAZ-KRWDZBQOSA-N 0 1 353.374 2.617 50 30 biogenic FFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1OC ZINC000004906472 523796654 /nfs/dbraw/zinc/79/66/54/523796654.db2.gz YFBMHKIYBQOATJ-GOSISDBHSA-N 0 1 367.401 2.920 50 30 FFEAMN COc1nccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)c1C#N ZINC000082135086 525030864 /nfs/dbraw/zinc/03/08/64/525030864.db2.gz PXYYZRVQUYSKPH-UHFFFAOYSA-N 0 1 366.469 2.919 50 30 FFEAMN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000012758436 220026037 /nfs/dbraw/zinc/02/60/37/220026037.db2.gz RAAGFWSDYFFYGX-UHFFFAOYSA-N 0 1 357.435 2.887 50 30 FFEAMN Cc1cc(C2N=NC(=S)N2N=Cc2ccc(Br)cc2)[nH]n1 ZINC000018067472 220221904 /nfs/dbraw/zinc/22/19/04/220221904.db2.gz YCIDJVCQERYXNC-VIZOYTHASA-N 0 1 363.244 2.910 50 30 FFEAMN O=C([N-]S(=O)(=O)c1ccc(F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000019857512 220302219 /nfs/dbraw/zinc/30/22/19/220302219.db2.gz PPYNBSFRXMRRLN-BBRMVZONSA-N 0 1 370.446 2.710 50 30 FFEAMN 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COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006187421 506470745 /nfs/dbraw/zinc/47/07/45/506470745.db2.gz VUGQHOPBONGJIM-MRXNPFEDSA-N 0 1 368.345 2.812 50 30 FFEAMN CC(C)c1cc(N2CCN(CCO)CC2)n2c3ccccc3nc2c1C#N ZINC000019682081 507191138 /nfs/dbraw/zinc/19/11/38/507191138.db2.gz MMLFRJGOHCIJDP-UHFFFAOYSA-N 0 1 363.465 2.597 50 30 FFEAMN CCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000029121079 507761860 /nfs/dbraw/zinc/76/18/60/507761860.db2.gz WWPHSCJGLCUXIF-UHFFFAOYSA-N 0 1 357.502 2.668 50 30 FFEAMN Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1 ZINC000100563459 525983361 /nfs/dbraw/zinc/98/33/61/525983361.db2.gz WJIFHSMGEWLWPV-JTPHSUOKSA-N 0 1 363.413 2.965 50 30 FFEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3CCCC3=O)cc2)n1 ZINC000103956556 570854649 /nfs/dbraw/zinc/85/46/49/570854649.db2.gz VFWOMRXZZMWXKP-KAMYIIQDSA-N 0 1 372.450 2.943 50 30 FFEAMN CCN(C[C@@H]1CC[N@@H+](CC)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952970810 740471851 /nfs/dbraw/zinc/47/18/51/740471851.db2.gz TWRAPBZBRHOMNB-CQSZACIVSA-N 0 1 355.891 2.564 50 30 FFEAMN O=C1CCCCC1=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000013471446 220068450 /nfs/dbraw/zinc/06/84/50/220068450.db2.gz UZLRUAWYBPPWPB-OUKQBFOZSA-N 0 1 358.423 2.716 50 30 FFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000019582798 220276665 /nfs/dbraw/zinc/27/66/65/220276665.db2.gz HODXMUDWABFYCQ-SFHVURJKSA-N 0 1 368.408 2.966 50 30 FFEAMN C#CC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012381138 532987957 /nfs/dbraw/zinc/98/79/57/532987957.db2.gz SPZBELCEWZYPKC-KRWDZBQOSA-N 0 1 370.415 2.617 50 30 FFEAMN COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccncc1)N(C)CC3)OCO2 ZINC000020111927 220313469 /nfs/dbraw/zinc/31/34/69/220313469.db2.gz OMVVQWWNTLLIGV-JTMDUIFQSA-N 0 1 355.394 2.617 50 30 biogenic FFEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)no1 ZINC000102894753 222313388 /nfs/dbraw/zinc/31/33/88/222313388.db2.gz TZFXVDHTFVYEGF-UYTDBDHRSA-N 0 1 366.329 2.908 50 30 FFEAMN C=CCc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000019367352 263374786 /nfs/dbraw/zinc/37/47/86/263374786.db2.gz KUOVTMLCFKFKAI-JOCHJYFZSA-N 0 1 366.505 2.973 50 30 FFEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(F)cc3)S2)cc1 ZINC000001221193 506256378 /nfs/dbraw/zinc/25/63/78/506256378.db2.gz SUISFERHVPBWFB-MBTVCVBTSA-N 0 1 357.410 2.999 50 30 FFEAMN CCc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C#N ZINC000005239012 506431012 /nfs/dbraw/zinc/43/10/12/506431012.db2.gz BDLGUCYCTFFOFX-VIFPVBQESA-N 0 1 362.842 2.977 50 30 FFEAMN N#Cc1cccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000011372760 506772790 /nfs/dbraw/zinc/77/27/90/506772790.db2.gz OUDHBXCGKPUEKH-UHFFFAOYSA-N 0 1 350.403 2.960 50 30 FFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 ZINC000012970189 506919983 /nfs/dbraw/zinc/91/99/83/506919983.db2.gz WBJFWEZGXJCXKS-GOSISDBHSA-N 0 1 351.402 2.956 50 30 FFEAMN N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000095530226 508197101 /nfs/dbraw/zinc/19/71/01/508197101.db2.gz NWOISJPOPBZUIP-FUHWJXTLSA-N 0 1 352.463 2.638 50 30 FFEAMN N#CC(C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)NC1CC1 ZINC000103504790 570850890 /nfs/dbraw/zinc/85/08/90/570850890.db2.gz LXXDZRGCCLJCFZ-INIZCTEOSA-N 0 1 352.390 2.678 50 30 FFEAMN