smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000000597843 219304709 /nfs/dbraw/zinc/30/47/09/219304709.db2.gz MHVQZSQFNIXABK-UHFFFAOYSA-N 0 1 360.284 5.356 1 0 FKAFMN COc1ccc(NC(=N)Nc2ccc3c4c(cccc42)CC3)c2ccccc12 ZINC000001539267 210359261 /nfs/dbraw/zinc/35/92/61/210359261.db2.gz AZZRFSWIWLKNLQ-UHFFFAOYSA-N 0 1 367.452 5.559 1 0 FKAFMN CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc31)[C@H](CC)O2 ZINC000001650656 291088873 /nfs/dbraw/zinc/08/88/73/291088873.db2.gz UIUQJKPWTIMLDM-WFASDCNBSA-N 0 1 370.445 5.080 1 0 biogenic,in-vitro FKAFMN FC(F)(F)c1ccccc1-c1nc2ccccc2c(Nc2ccncc2)n1 ZINC000004258539 204130358 /nfs/dbraw/zinc/13/03/58/204130358.db2.gz KEOSJTIYNSQYET-UHFFFAOYSA-N 0 1 366.346 5.454 1 0 FKAFMN Cc1cc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc(C)c1O ZINC000004617923 204150756 /nfs/dbraw/zinc/15/07/56/204150756.db2.gz TZQNFQCZKXEYMY-UHFFFAOYSA-N 0 1 359.404 5.267 1 0 FKAFMN COc1ccc(-c2cc(-c3cc(F)c(Cl)cc3Cl)n[nH]2)cc1OC ZINC000005800986 204225743 /nfs/dbraw/zinc/22/57/43/204225743.db2.gz UKCMKBGZPFDRIA-UHFFFAOYSA-N 0 1 367.207 5.207 1 0 FKAFMN Clc1ccccc1-c1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[nH]1 ZINC000005974386 204231809 /nfs/dbraw/zinc/23/18/09/204231809.db2.gz FZJWQYMWEVJTFT-UHFFFAOYSA-N 0 1 362.904 6.351 1 0 FKAFMN c1ccc(COc2nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1 ZINC000005974556 204232889 /nfs/dbraw/zinc/23/28/89/204232889.db2.gz HGOSHFAUMBCDIS-UHFFFAOYSA-N 0 1 358.485 5.610 1 0 FKAFMN Cc1cc(C)cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 ZINC000006521947 207144043 /nfs/dbraw/zinc/14/40/43/207144043.db2.gz PQLMBHNVFJYRDU-UHFFFAOYSA-N 0 1 366.482 5.904 1 0 FKAFMN S=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)s1 ZINC000006535201 204251698 /nfs/dbraw/zinc/25/16/98/204251698.db2.gz ADTDVXWCGNHHME-UHFFFAOYSA-N 0 1 350.940 5.175 1 0 FKAFMN O=C1N=C(Nc2cccc(Cl)c2)SC1C=C1C=Nc2ccccc21 ZINC000006932007 207178393 /nfs/dbraw/zinc/17/83/93/207178393.db2.gz VABJJOYZMBJQBL-DHZHZOJOSA-N 0 1 353.834 5.502 1 0 aggregator FKAFMN FC(F)(F)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1 ZINC000008536629 204333613 /nfs/dbraw/zinc/33/36/13/204333613.db2.gz OXYMFDZMUCACBM-UHFFFAOYSA-N 0 1 365.358 5.825 1 0 FKAFMN CC(C)=CCc1c(O)cccc1C(=O)c1cc2c(cc1O)OC(C)(C)C=C2 ZINC000013411963 560216562 /nfs/dbraw/zinc/21/65/62/560216562.db2.gz KOJDUQIWHNYJEM-UHFFFAOYSA-N 0 1 364.441 5.022 1 0 biogenic,in-vitro FKAFMN CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 ZINC000013490276 211035177 /nfs/dbraw/zinc/03/51/77/211035177.db2.gz RNEASTBHQHQRDF-UHFFFAOYSA-N 0 1 351.453 6.180 1 0 FKAFMN CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 ZINC000013490277 211035586 /nfs/dbraw/zinc/03/55/86/211035586.db2.gz CHEAQHKAGNKJME-UHFFFAOYSA-N 0 1 352.441 5.575 1 0 FKAFMN Fc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccncc2)cc1 ZINC000013491680 211036567 /nfs/dbraw/zinc/03/65/67/211036567.db2.gz LJOYKNIJQZYHQG-UHFFFAOYSA-N 0 1 361.445 5.570 1 0 FKAFMN c1ccc(CCc2ccc(C3=Cc4ccccc4C4=NCCCN34)cc2)cc1 ZINC000013555258 220073353 /nfs/dbraw/zinc/07/33/53/220073353.db2.gz IDWFDCHPOWAECB-UHFFFAOYSA-N 0 1 364.492 5.436 1 0 FKAFMN CCCCC1=C(c2ccc(C(C)(C)C)cc2)N2CCCN=C2c2ccccc21 ZINC000013555287 211038775 /nfs/dbraw/zinc/03/87/75/211038775.db2.gz VNBPNFZLNMXVOP-UHFFFAOYSA-N 0 1 372.556 6.509 1 0 FKAFMN Cc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c32)cc1 ZINC000013686562 211048716 /nfs/dbraw/zinc/04/87/16/211048716.db2.gz JOTMQRFWDYAWIE-UHFFFAOYSA-N 0 1 368.484 6.043 1 0 in-vivo FKAFMN CCCC/C(=C\c1c[nH+]c(CCCC)n1Cc1ccccc1Cl)C(=O)[O-] ZINC000013728086 211052949 /nfs/dbraw/zinc/05/29/49/211052949.db2.gz QGXHHPALYOKVTB-DTQAZKPQSA-N 0 1 374.912 5.586 1 0 FKAFMN CCCCC[C@@H](C)OC(=O)N=C(O)Nc1c(C(C)C)cccc1C(C)C ZINC000013738013 211055735 /nfs/dbraw/zinc/05/57/35/211055735.db2.gz RVCCLXUZFUVJRA-MRXNPFEDSA-N 0 1 362.514 6.160 1 0 FKAFMN CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21 ZINC000013738221 220091991 /nfs/dbraw/zinc/09/19/91/220091991.db2.gz QCJIDMPIJUWNKR-UHFFFAOYSA-N 0 1 364.920 5.241 1 0 FKAFMN C(=C1/C=C(CCN2CCOCC2)c2ccccc21)\c1cccc2ccccc12 ZINC000013782398 204553259 /nfs/dbraw/zinc/55/32/59/204553259.db2.gz RTRAPBQOJODDGH-NKFKGCMQSA-N 0 1 367.492 5.500 1 0 FKAFMN c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000013798196 220095050 /nfs/dbraw/zinc/09/50/50/220095050.db2.gz QSXGIABTGIJOJX-UHFFFAOYSA-N 0 1 373.459 6.473 1 0 FKAFMN N#[N+]c1ccc2c(c1)[n-]c(O)c(-c1cccc(Oc3ccccc3)c1)c2=O ZINC000013801567 220095672 /nfs/dbraw/zinc/09/56/72/220095672.db2.gz XCWMPGVZCYODDR-UHFFFAOYSA-O 0 1 356.361 5.178 1 0 FKAFMN N#[N+]c1ccc2c(c1)[nH]c([O-])c(-c1cccc(Oc3ccccc3)c1)c2=O ZINC000013801567 220095668 /nfs/dbraw/zinc/09/56/68/220095668.db2.gz XCWMPGVZCYODDR-UHFFFAOYSA-O 0 1 356.361 5.178 1 0 FKAFMN CCCCCCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(C)CN1C ZINC000013826364 220097208 /nfs/dbraw/zinc/09/72/08/220097208.db2.gz APPQUNGDZNNCCP-YLJYHZDGSA-N 0 1 354.563 5.740 1 0 FKAFMN c1ccc(CN2Cc3c(c(-c4ccccc4)[nH]c3-c3ccccc3)C2)cc1 ZINC000013835379 211061579 /nfs/dbraw/zinc/06/15/79/211061579.db2.gz XPZIIJVAVYDHEE-UHFFFAOYSA-N 0 1 350.465 5.865 1 0 FKAFMN CC(C)=CCc1cc(C(=O)c2cccc(O)c2CC=C(C)C)c(O)cc1O ZINC000014780683 220133268 /nfs/dbraw/zinc/13/32/68/220133268.db2.gz SPKHVSDLQSVOCD-UHFFFAOYSA-N 0 1 366.457 5.052 1 0 biogenic,in-vitro FKAFMN CCc1c(C)sc2c1CCN(Cc1ccccc1F)[C@@H]2c1ccccc1 ZINC000021337804 211313302 /nfs/dbraw/zinc/31/33/02/211313302.db2.gz OFEQTWIRIOQICC-JOCHJYFZSA-N 0 1 365.517 5.906 1 0 FKAFMN CCc1c(C)sc2c1CCN(Cc1ccccc1F)[C@H]2c1ccccc1 ZINC000021337806 220357253 /nfs/dbraw/zinc/35/72/53/220357253.db2.gz OFEQTWIRIOQICC-QFIPXVFZSA-N 0 1 365.517 5.906 1 0 FKAFMN CC(C)(C)c1cc(-c2cc(-c3ccc(O)cc3)n[nH]2)cc(C(C)(C)C)c1O ZINC000026656912 211451792 /nfs/dbraw/zinc/45/17/92/211451792.db2.gz SPQGGMJLWRHJLS-UHFFFAOYSA-N 0 1 364.489 5.750 1 0 FKAFMN C(=C1\C=C(CCN2CCOCC2)c2ccccc21)\c1cccc2ccccc12 ZINC000027300802 204860892 /nfs/dbraw/zinc/86/08/92/204860892.db2.gz RTRAPBQOJODDGH-PTGBLXJZSA-N 0 1 367.492 5.500 1 0 FKAFMN CC[C@@H](C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3F)cc2s1 ZINC000029041803 581095394 /nfs/dbraw/zinc/09/53/94/581095394.db2.gz OJQSRRCUFRRNTP-GFCCVEGCSA-N 0 1 366.465 5.703 1 0 FKAFMN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)c(O)cc1O ZINC000033831215 291087015 /nfs/dbraw/zinc/08/70/15/291087015.db2.gz OYFBMJVJPUPJQG-VZRGJMDUSA-N 0 1 356.506 6.180 1 0 biogenic,in-vitro FKAFMN Cc1cccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 ZINC000036124536 205007303 /nfs/dbraw/zinc/00/73/03/205007303.db2.gz JWHJBCAUIIRKGP-UHFFFAOYSA-N 0 1 352.455 5.595 1 0 FKAFMN Cc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1 ZINC000036124542 208148136 /nfs/dbraw/zinc/14/81/36/208148136.db2.gz ZCAYXHUYLXZVMK-UHFFFAOYSA-N 0 1 352.455 5.595 1 0 FKAFMN COc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1 ZINC000036124550 205007898 /nfs/dbraw/zinc/00/78/98/205007898.db2.gz OGYFLKVIQSYXFJ-UHFFFAOYSA-N 0 1 368.454 5.296 1 0 FKAFMN Cc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1 ZINC000036124569 205006866 /nfs/dbraw/zinc/00/68/66/205006866.db2.gz APPQMWKQFRWSJQ-UHFFFAOYSA-N 0 1 352.455 5.595 1 0 FKAFMN CSc1ccc(-c2nc(-c3ccncc3)c(-c3cccc(N)c3)[nH]2)cc1 ZINC000038143310 208198752 /nfs/dbraw/zinc/19/87/52/208198752.db2.gz GQFFLNUYIXPHTE-UHFFFAOYSA-N 0 1 358.470 5.110 1 0 FKAFMN Cc1ccc(-c2nc3cc(-c4ncccc4C(F)(F)F)ccc3[nH]2)cc1 ZINC000038156651 208198478 /nfs/dbraw/zinc/19/84/78/208198478.db2.gz GNJRIIPXLQFRMY-UHFFFAOYSA-N 0 1 353.347 5.619 1 0 FKAFMN CCSc1nc(-c2ccnc(F)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040429706 205069904 /nfs/dbraw/zinc/06/99/04/205069904.db2.gz JXGRXRVUVYWVKE-UHFFFAOYSA-N 0 1 367.371 5.409 1 0 FKAFMN OC1C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040878130 208272344 /nfs/dbraw/zinc/27/23/44/208272344.db2.gz IWOBORNYYLIANT-YIONKMFJSA-N 0 1 362.300 5.071 1 0 FKAFMN CN(C)Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000040936376 208276903 /nfs/dbraw/zinc/27/69/03/208276903.db2.gz UNSWDCIYZPOJLJ-UHFFFAOYSA-N 0 1 374.200 5.322 1 0 FKAFMN CSc1nc(-c2ccnc(F)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040972476 208278398 /nfs/dbraw/zinc/27/83/98/208278398.db2.gz KLOOFNADZQKJDI-UHFFFAOYSA-N 0 1 353.344 5.019 1 0 FKAFMN O=c1cc(-c2ccccc2)c2c(O)cc(-c3cc4ccccc4s3)cc2o1 ZINC000043018687 205099096 /nfs/dbraw/zinc/09/90/96/205099096.db2.gz QFMMDUFBZYLEMN-UHFFFAOYSA-N 0 1 370.429 6.047 1 0 FKAFMN COc1ccc2c(c1)nc(-c1ccccc1)cc2NCCc1ccccc1 ZINC000045168581 205117301 /nfs/dbraw/zinc/11/73/01/205117301.db2.gz NQTSFNIRFGNOCM-UHFFFAOYSA-N 0 1 354.453 5.565 1 0 FKAFMN CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000045289770 205118971 /nfs/dbraw/zinc/11/89/71/205118971.db2.gz SKNFXIHUJHJEBB-DNVCBOLYSA-N 0 1 373.422 5.693 1 0 FKAFMN CC(C)(C)[N@@H+](CCC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000045355993 208331378 /nfs/dbraw/zinc/33/13/78/208331378.db2.gz AZUMQCHYXSJVJB-UHFFFAOYSA-N 0 1 351.515 5.775 1 0 FKAFMN COc1cccc2c(CC[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)coc21 ZINC000045366329 208332318 /nfs/dbraw/zinc/33/23/18/208332318.db2.gz XQCLCGLKJFCJMT-UHFFFAOYSA-N 0 1 372.468 5.255 1 0 FKAFMN Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(C)cc2)[nH]1 ZINC000049110218 205169428 /nfs/dbraw/zinc/16/94/28/205169428.db2.gz SDEKISRDGQEPLX-UHFFFAOYSA-N 0 1 363.464 6.509 1 0 FKAFMN Cc1ccccc1-n1c(Nc2nc(-c3ccccc3)cs2)n[nH]c1=S ZINC000049112324 205170265 /nfs/dbraw/zinc/17/02/65/205170265.db2.gz OYFYEDOOXIBQPI-UHFFFAOYSA-N 0 1 365.487 5.105 1 0 FKAFMN Cc1ccc(-n2c(Nc3nc(-c4ccccc4)cs3)n[nH]c2=S)cc1 ZINC000049784112 221027658 /nfs/dbraw/zinc/02/76/58/221027658.db2.gz KBMLGHOVHKNVPQ-UHFFFAOYSA-N 0 1 365.487 5.105 1 0 FKAFMN FC(F)(F)c1nc2cc(Cl)c(Oc3cccc4ccccc43)cc2[nH]1 ZINC000053276440 221044798 /nfs/dbraw/zinc/04/47/98/221044798.db2.gz MFAYVIPNXARIGH-UHFFFAOYSA-N 0 1 362.738 6.181 1 0 FKAFMN Clc1cccc(CN2CC[C@H]3C[C@@H]2c2cc(N4CCCCC4)ccc23)c1 ZINC000061942430 136132570 /nfs/dbraw/zinc/13/25/70/136132570.db2.gz KZJJRDZSSLUTQV-FDDCHVKYSA-N 0 1 366.936 5.765 1 0 FKAFMN O=C(Nc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1)c1cccs1 ZINC000064437101 221146075 /nfs/dbraw/zinc/14/60/75/221146075.db2.gz YAWDBNXPJOVFHN-UHFFFAOYSA-N 0 1 353.834 5.197 1 0 FKAFMN c1nc2ccc(-c3nc4ccc(-c5ccc6ccccc6c5)cc4[nH]3)cc2[nH]1 ZINC000066066632 221239175 /nfs/dbraw/zinc/23/91/75/221239175.db2.gz KBQXCUQQZJUQMT-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN c1nc2cc(-c3nc4ccc(-c5ccc6ccccc6c5)cc4[nH]3)ccc2[nH]1 ZINC000066066632 221239173 /nfs/dbraw/zinc/23/91/73/221239173.db2.gz KBQXCUQQZJUQMT-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN c1nc2ccc(-c3nc4cc(-c5ccc6ccccc6c5)ccc4[nH]3)cc2[nH]1 ZINC000066066632 221239170 /nfs/dbraw/zinc/23/91/70/221239170.db2.gz KBQXCUQQZJUQMT-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN c1nc2ccc(-c3nc4ccc(-c5cccc6ccccc65)cc4[nH]3)cc2[nH]1 ZINC000066074628 221239375 /nfs/dbraw/zinc/23/93/75/221239375.db2.gz NVGZCGNONRVLMI-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN c1nc2cc(-c3nc4ccc(-c5cccc6ccccc65)cc4[nH]3)ccc2[nH]1 ZINC000066074628 221239374 /nfs/dbraw/zinc/23/93/74/221239374.db2.gz NVGZCGNONRVLMI-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN c1nc2ccc(-c3nc4cc(-c5cccc6ccccc65)ccc4[nH]3)cc2[nH]1 ZINC000066074628 221239371 /nfs/dbraw/zinc/23/93/71/221239371.db2.gz NVGZCGNONRVLMI-UHFFFAOYSA-N 0 1 360.420 5.926 1 0 FKAFMN CCCc1nc2cc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)ccc2[nH]1 ZINC000066077927 221240588 /nfs/dbraw/zinc/24/05/88/221240588.db2.gz PGCCZMFWHBXZGT-UHFFFAOYSA-N 0 1 352.441 5.726 1 0 FKAFMN CCCc1nc2ccc(-c3nc4cc(-c5ccccc5)ccc4[nH]3)cc2[nH]1 ZINC000066077927 221240587 /nfs/dbraw/zinc/24/05/87/221240587.db2.gz PGCCZMFWHBXZGT-UHFFFAOYSA-N 0 1 352.441 5.726 1 0 FKAFMN CC(C)c1nc2cc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)ccc2[nH]1 ZINC000066077929 221240624 /nfs/dbraw/zinc/24/06/24/221240624.db2.gz VLPKIQRBLVUIFW-UHFFFAOYSA-N 0 1 352.441 5.897 1 0 FKAFMN CC(C)c1nc2ccc(-c3nc4cc(-c5ccccc5)ccc4[nH]3)cc2[nH]1 ZINC000066077929 221240623 /nfs/dbraw/zinc/24/06/23/221240623.db2.gz VLPKIQRBLVUIFW-UHFFFAOYSA-N 0 1 352.441 5.897 1 0 FKAFMN Cc1cc(O)c2c(c1C=O)OCC(CC[C@H]1[C@@H](C)CCCC1(C)C)=CC2 ZINC000066079936 205363188 /nfs/dbraw/zinc/36/31/88/205363188.db2.gz WMYGPGWEPCFRQM-YWZLYKJASA-N 0 1 356.506 5.617 1 0 FKAFMN Cc1cccc(CCc2cc(Br)c(O)c(Br)c2)c1 ZINC000066080013 221239827 /nfs/dbraw/zinc/23/98/27/221239827.db2.gz DKQNRGMHKCDTSF-UHFFFAOYSA-N 0 1 370.084 5.011 1 0 FKAFMN Clc1ccccc1-c1ccc2nc(C3=NOC4(C3)CCCCC4)[nH]c2c1 ZINC000066099331 221241007 /nfs/dbraw/zinc/24/10/07/221241007.db2.gz BNJZZOAGJWNLDA-UHFFFAOYSA-N 0 1 365.864 5.711 1 0 FKAFMN CCCOC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC ZINC000066112748 205363682 /nfs/dbraw/zinc/36/36/82/205363682.db2.gz POAUDUUVRRBSRI-UHFFFAOYSA-N 0 1 372.513 5.415 1 0 FKAFMN Cc1ccc(CN2C(C)=Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 ZINC000072124272 221411286 /nfs/dbraw/zinc/41/12/86/221411286.db2.gz CDEORBLGVMIYOR-HSZRJFAPSA-N 0 1 360.888 6.304 1 0 FKAFMN CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCc1ccccc1 ZINC000072141204 221418724 /nfs/dbraw/zinc/41/87/24/221418724.db2.gz GUCMRSUQSKLWCK-QHCPKHFHSA-N 0 1 360.888 6.038 1 0 FKAFMN Cc1ccc2c(c1)nccc2Nc1cc(C)ccc1Sc1ccccc1 ZINC000073315545 221563940 /nfs/dbraw/zinc/56/39/40/221563940.db2.gz DMIKADCENWOHJS-UHFFFAOYSA-N 0 1 356.494 6.746 1 0 FKAFMN C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000084690319 205660450 /nfs/dbraw/zinc/66/04/50/205660450.db2.gz CKMSNVMYZASRFE-JOCHJYFZSA-N 0 1 363.504 6.329 1 0 FKAFMN CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3N3CC36CCCC6)[C@]4(C)[C@@]25CC1 ZINC000085548254 291087206 /nfs/dbraw/zinc/08/72/06/291087206.db2.gz YEIBEVVNVXLGGP-OMSBISQBSA-N 0 1 363.589 6.256 1 0 biogenic,in-vitro FKAFMN CCCCCC1=CC[C@@]2(C)[C@@]3(CC4=C(C)CC[C@@]42[C@H](C)CC3)[C@@H]1N1CC1 ZINC000085548328 291087999 /nfs/dbraw/zinc/08/79/99/291087999.db2.gz VZAPAZLMTOYKEU-UTHIKGHZSA-N 0 1 353.594 6.504 1 0 biogenic,in-vitro FKAFMN Cc1csc(-c2nc(C(F)(F)F)[nH]c2-c2ccc3ncsc3c2)n1 ZINC000095561891 209081043 /nfs/dbraw/zinc/08/10/43/209081043.db2.gz UVCNMWPNXWHUCS-UHFFFAOYSA-N 0 1 366.393 5.137 1 0 FKAFMN O=c1[nH]c2cc(-c3ccccc3)ccc2c2[nH]c(-c3ccccc3Cl)nc21 ZINC000096270721 222106789 /nfs/dbraw/zinc/10/67/89/222106789.db2.gz SJSIOPWZUMWNBI-UHFFFAOYSA-N 0 1 371.827 5.392 1 0 FKAFMN Clc1cccc(N2CCN(Cc3cccc4ccccc43)CC2)c1Cl ZINC000096283198 132224704 /nfs/dbraw/zinc/22/47/04/132224704.db2.gz OJVGHPDSXXGXQT-UHFFFAOYSA-N 0 1 371.311 5.469 1 0 FKAFMN c1ccc(C(c2ccccc2)n2c(CN3CCCC3)nc3ccccc32)cc1 ZINC000096285122 222111536 /nfs/dbraw/zinc/11/15/36/222111536.db2.gz KVVFXIDTRQNBOT-UHFFFAOYSA-N 0 1 367.496 5.270 1 0 FKAFMN Clc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1 ZINC000096910036 132226175 /nfs/dbraw/zinc/22/61/75/132226175.db2.gz BXJORGABSLLRAD-UHFFFAOYSA-N 0 1 362.904 5.329 1 0 FKAFMN CCOc1cc(C(C)(C)C)ccc1C1=NC[C@@H](c2ccc(Cl)cc2)N1 ZINC000096916549 205885927 /nfs/dbraw/zinc/88/59/27/205885927.db2.gz LSIYAOPPHCNKAP-SFHVURJKSA-N 0 1 356.897 5.127 1 0 FKAFMN C[C@H](c1cccc2ccccc21)N(C)Cc1ccccc1Br ZINC000096930048 209163123 /nfs/dbraw/zinc/16/31/23/209163123.db2.gz JBDUFWKYBYZVGJ-OAHLLOKOSA-N 0 1 354.291 5.795 1 0 FKAFMN CC(C)C[C@H](Sc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O ZINC000096942046 222144832 /nfs/dbraw/zinc/14/48/32/222144832.db2.gz XFVAZZZKQWGAJJ-FQEVSTJZSA-N 0 1 366.482 5.892 1 0 FKAFMN Cc1sc(-c2ccc(Cl)cc2)nc1C1=C(O)C2(CC1=O)CCCCC2 ZINC000098081919 222226444 /nfs/dbraw/zinc/22/64/44/222226444.db2.gz SCFSFPDUDOHUHY-MRXNPFEDSA-N 0 1 373.905 5.348 1 0 FKAFMN COc1cc2nc(-c3ccccc3)cc(Nc3ccccc3)c2c(OC)c1 ZINC000098083127 222227113 /nfs/dbraw/zinc/22/71/13/222227113.db2.gz GTKIBDAQYUGPCT-UHFFFAOYSA-N 0 1 356.425 5.663 1 0 FKAFMN O=C1C(c2ccc(F)cc2)C(c2ccncc2)=NN1c1ccc(Cl)cc1 ZINC000100033054 209208164 /nfs/dbraw/zinc/20/81/64/209208164.db2.gz FNKVMIBWGQCPFN-UHFFFAOYSA-N 0 1 365.795 5.099 1 0 FKAFMN CCCCN(CC)C1=CC(C)=N[C@H]2[C@@H]1C(C)=CN2c1c(C)cc(C)cc1C ZINC000100058218 222234678 /nfs/dbraw/zinc/23/46/78/222234678.db2.gz OXBSTIROOYKZJO-ISKFKSNPSA-N 0 1 365.565 5.758 1 0 FKAFMN CCCC[C@@H](CC)C[N@@H+]1CN2CN(C[C@@H](CC)CCCC)CC2(C)C1 ZINC000100379673 222243041 /nfs/dbraw/zinc/24/30/41/222243041.db2.gz MSJBLPVXRJMJSY-CBQGHPETSA-N 0 1 351.623 5.026 1 0 in-man FKAFMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000100632717 222248301 /nfs/dbraw/zinc/24/83/01/222248301.db2.gz LOCAWWIMTNSDTF-NRFANRHFSA-N 0 1 350.393 5.002 1 0 FKAFMN O=C1CCCC2=Nc3ccnn3[C@H](c3ccc(Cl)c(C(F)(F)F)c3)C12 ZINC000100914072 222256620 /nfs/dbraw/zinc/25/66/20/222256620.db2.gz ZZBRCHCUZICPAN-MRXNPFEDSA-N 0 1 367.758 5.227 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@@H](CC1CC1)SC1CCCC1 ZINC000100987787 581101463 /nfs/dbraw/zinc/10/14/63/581101463.db2.gz QEXGTYFMYOSCBX-LJQANCHMSA-N 0 1 356.487 5.529 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@H](CC1CC1)SC1CCCC1 ZINC000100987790 581101504 /nfs/dbraw/zinc/10/15/04/581101504.db2.gz QEXGTYFMYOSCBX-IBGZPJMESA-N 0 1 356.487 5.529 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@@H](CC1CC1)SC1CCCCC1 ZINC000100997194 581099036 /nfs/dbraw/zinc/09/90/36/581099036.db2.gz JBSXNEBMJZBGCO-HXUWFJFHSA-N 0 1 370.514 5.920 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@H](CC1CC1)SC1CCCCC1 ZINC000100997199 581098921 /nfs/dbraw/zinc/09/89/21/581098921.db2.gz JBSXNEBMJZBGCO-FQEVSTJZSA-N 0 1 370.514 5.920 1 0 FKAFMN c1n[nH]c2cc(Nc3nc4ccccc4c4nc(C5CCCC5)[nH]c43)ccc12 ZINC000101043082 209220929 /nfs/dbraw/zinc/22/09/29/209220929.db2.gz XBNGMRYJZRQQGJ-UHFFFAOYSA-N 0 1 368.444 5.340 1 0 FKAFMN COc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc32)cc1 ZINC000101043227 209220185 /nfs/dbraw/zinc/22/01/85/209220185.db2.gz SYCMCXKSCZYNPX-UHFFFAOYSA-N 0 1 358.445 5.473 1 0 FKAFMN Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc32)cc1 ZINC000101087739 222262017 /nfs/dbraw/zinc/26/20/17/222262017.db2.gz MGMLCNPIQUCXFO-UHFFFAOYSA-N 0 1 362.864 6.117 1 0 FKAFMN O=c1oc2c(c(O)c1C(c1ccccc1)c1ccccc1)CCCCCC2 ZINC000101210513 222264928 /nfs/dbraw/zinc/26/49/28/222264928.db2.gz CBSGETPIAPUNRD-UHFFFAOYSA-N 0 1 360.453 5.185 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@H](SC1CCCC1)C1CCCC1 ZINC000101348311 209224300 /nfs/dbraw/zinc/22/43/00/209224300.db2.gz RPLIDZHZRNKTNS-OAQYLSRUSA-N 0 1 370.514 5.920 1 0 FKAFMN O=c1oc(-c2ccccc2)cc(O)c1[C@@H](SC1CCCC1)C1CCCC1 ZINC000101348314 209224036 /nfs/dbraw/zinc/22/40/36/209224036.db2.gz RPLIDZHZRNKTNS-NRFANRHFSA-N 0 1 370.514 5.920 1 0 FKAFMN c1ccc2c3[nH]c(C4CCCC4)nc3c(Nc3ccc4c(c3)CCC4)nc2c1 ZINC000101412448 209225744 /nfs/dbraw/zinc/22/57/44/209225744.db2.gz NZFDBINXNRUFCN-UHFFFAOYSA-N 0 1 368.484 5.953 1 0 FKAFMN c1cc2ccc(Nc3nc4ccccc4c4[nH]c(C5CCCC5)nc43)cc2[nH]1 ZINC000101412600 209224823 /nfs/dbraw/zinc/22/48/23/209224823.db2.gz DQTVCJBEFLMTFZ-UHFFFAOYSA-N 0 1 367.456 5.945 1 0 FKAFMN C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000101511250 132233959 /nfs/dbraw/zinc/23/39/59/132233959.db2.gz HQUMRIMZYIEYKN-WKJJFCIUSA-N 0 1 366.936 5.033 1 0 FKAFMN CC(C)[C@@H]1C(=O)C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 ZINC000101731916 209229473 /nfs/dbraw/zinc/22/94/73/209229473.db2.gz SGTDVYJWFFKLLN-HXUWFJFHSA-N 0 1 363.482 5.237 1 0 FKAFMN CC(C)[C@H]1C(=O)C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 ZINC000101731921 222281535 /nfs/dbraw/zinc/28/15/35/222281535.db2.gz SGTDVYJWFFKLLN-FQEVSTJZSA-N 0 1 363.482 5.237 1 0 FKAFMN O=c1cc(-c2ccc(Cl)cc2)oc2ccc(CN3CCCCC3)cc12 ZINC000103217746 209247712 /nfs/dbraw/zinc/24/77/12/209247712.db2.gz JCIJAGWHCYZUBW-UHFFFAOYSA-N 0 1 353.849 5.099 1 0 FKAFMN O=c1cc(-c2ccccc2Cl)oc2cc(CN3CCCCC3)ccc12 ZINC000103221438 222325864 /nfs/dbraw/zinc/32/58/64/222325864.db2.gz ROIOCRIIVHXSFZ-UHFFFAOYSA-N 0 1 353.849 5.099 1 0 FKAFMN Cc1[nH]c2ccccc2c1[C@@H](NCc1ccccc1)c1ccccc1Cl ZINC000103244878 222328374 /nfs/dbraw/zinc/32/83/74/222328374.db2.gz FCLRKOQXOJBTEP-QHCPKHFHSA-N 0 1 360.888 6.009 1 0 FKAFMN CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000103261318 209251279 /nfs/dbraw/zinc/25/12/79/209251279.db2.gz ATKVVQSYUASWHF-UHFFFAOYSA-N 0 1 366.848 5.090 1 0 FKAFMN Clc1ccc([C@@H](NCc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000103265795 222330350 /nfs/dbraw/zinc/33/03/50/222330350.db2.gz FSVQYXOQASTJRX-QHCPKHFHSA-N 0 1 373.887 5.609 1 0 FKAFMN Clc1ccc([C@H](NCc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000103265796 205990930 /nfs/dbraw/zinc/99/09/30/205990930.db2.gz FSVQYXOQASTJRX-HSZRJFAPSA-N 0 1 373.887 5.609 1 0 FKAFMN Cc1ccc2nc(CSc3nc(C)nc4c5ccccc5oc43)[nH]c2c1 ZINC000036380922 205013498 /nfs/dbraw/zinc/01/34/98/205013498.db2.gz SJLQHEUJSJJCDS-UHFFFAOYSA-N 0 1 360.442 5.161 3 0 FKAFMN CC(C)C[C@H](N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000061897664 212026762 /nfs/dbraw/zinc/02/67/62/212026762.db2.gz FDOCSWGFXDSARI-AWEZNQCLSA-N 0 1 360.527 5.131 3 0 FKAFMN CC(C)C[C@@H](N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000061897667 212027212 /nfs/dbraw/zinc/02/72/12/212027212.db2.gz FDOCSWGFXDSARI-CQSZACIVSA-N 0 1 360.527 5.131 3 0 FKAFMN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)CCc1ccccc1 ZINC000095568338 209080327 /nfs/dbraw/zinc/08/03/27/209080327.db2.gz GOGIGBZOEFMTAL-DEOSSOPVSA-N 0 1 372.512 5.158 3 0 FKAFMN