smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)cc(O)c3O)cc2)c1 ZINC000014649954 291411767 /nfs/dbraw/zinc/41/17/67/291411767.db2.gz QFNWXQOYUAXUAF-UHFFFAOYSA-N 0 0 442.511 5.872 1 10 biogenic,in-vitro IKCFRN CCOc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4ccccc4s3)C2=O)ccc1O ZINC000001659170 562924244 /nfs/dbraw/zinc/92/42/44/562924244.db2.gz ZBEWYWIUEYJRIR-RGEXLXHISA-N 0 0 441.512 5.235 1 10 IKCFRN O=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000001697965 562924511 /nfs/dbraw/zinc/92/45/11/562924511.db2.gz PHJGSPFWJMKOIG-UHFFFAOYSA-N 0 0 442.470 5.021 1 10 IKCFRN CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862062 562925071 /nfs/dbraw/zinc/92/50/71/562925071.db2.gz UWXXNCLSFKTBBZ-JYFHCDHNSA-N 0 0 432.589 5.174 1 10 IKCFRN COc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 ZINC000001903043 562925297 /nfs/dbraw/zinc/92/52/97/562925297.db2.gz QGANODRXZGAKQW-UHFFFAOYSA-N 0 0 426.512 5.576 1 10 IKCFRN CCCCCCc1c(=O)c2c(OC)cc(OC)c(OC)c2oc1-c1ccc(O)c(O)c1 ZINC000002014142 562925595 /nfs/dbraw/zinc/92/55/95/562925595.db2.gz YVBZPEUAWVSUKH-UHFFFAOYSA-N 0 0 428.481 5.020 1 10 IKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934317 562930810 /nfs/dbraw/zinc/93/08/10/562930810.db2.gz GRZGEYHQQBTIAR-CVDCTZTESA-N 0 0 441.314 5.402 1 10 IKCFRN CCCCCC(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)CCCCC)c1C2=O ZINC000013558878 562993652 /nfs/dbraw/zinc/99/36/52/562993652.db2.gz XEKSFNNILMDTKH-UHFFFAOYSA-N 0 0 436.504 5.433 1 10 IKCFRN O=C(NCc1ccc(N2[C@H]3CC[C@@H]2CCC3)c(C(F)(F)F)c1)Nc1cccc2n[nH]cc21 ZINC000014973537 563016688 /nfs/dbraw/zinc/01/66/88/563016688.db2.gz DCSZKXVLNDMKDL-IYBDPMFKSA-N 0 0 443.473 5.425 1 10 IKCFRN CCC[C@@H](CC)c1c(O)c(O)c([C@@H](CC)CCC)c([C@@H](CC)CCC)c1[C@@H](CC)CCC ZINC000017249055 563021815 /nfs/dbraw/zinc/02/18/15/563021815.db2.gz MERZOBJQFOCPRA-NEWJYFPISA-N 0 0 446.760 10.273 1 10 IKCFRN CCN1C(=O)/C(=C2\SC(c3ccccc3)(c3ccccc3)c3ccccc32)SC1=S ZINC000018099452 563022153 /nfs/dbraw/zinc/02/21/53/563022153.db2.gz NUNVJRJIEJDNKK-QURGRASLSA-N 0 0 445.634 6.274 1 10 IKCFRN O=C([O-])c1ccc(Nc2c3ccccc3[nH+]c3cc(I)ccc32)cc1 ZINC000026843896 563037600 /nfs/dbraw/zinc/03/76/00/563037600.db2.gz IYGOFTMCPNPPRP-UHFFFAOYSA-N 0 0 440.240 5.434 1 10 IKCFRN O=C([O-])CCCCCCCCCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026847311 563037620 /nfs/dbraw/zinc/03/76/20/563037620.db2.gz OWWUVNCFQFKDSJ-UHFFFAOYSA-N 0 0 440.587 7.880 1 10 IKCFRN CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026844512 563037622 /nfs/dbraw/zinc/03/76/22/563037622.db2.gz YZSMYHLATMVSIP-UHFFFAOYSA-N 0 0 436.493 5.192 1 10 IKCFRN O=C1c2cccc(Sc3ccncc3)c2C(=O)c2cccc(Sc3ccncc3)c21 ZINC000026979051 563038523 /nfs/dbraw/zinc/03/85/23/563038523.db2.gz URABVPWPMHXQBN-UHFFFAOYSA-N 0 0 426.522 5.554 1 10 IKCFRN CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc21 ZINC000027722081 563045889 /nfs/dbraw/zinc/04/58/89/563045889.db2.gz IXMVPHOQILTMNY-UHFFFAOYSA-N 0 0 440.956 5.223 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccccc3Cl)C2)ccc1O ZINC000028653296 563061216 /nfs/dbraw/zinc/06/12/16/563061216.db2.gz RFNKUGCLHYTASK-QFIPXVFZSA-N 0 0 435.980 6.211 1 10 IKCFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1c1ccc(F)cc1 ZINC000028653365 563061259 /nfs/dbraw/zinc/06/12/59/563061259.db2.gz XCZUDNITCVDMQP-OAQYLSRUSA-N 0 0 435.524 5.396 1 10 IKCFRN COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)c2)ccc1N(C)C ZINC000028949017 563069278 /nfs/dbraw/zinc/06/92/78/563069278.db2.gz WSRSVPOCZJUQPX-DCIPZJNNSA-N 0 0 428.576 6.177 1 10 IKCFRN COc1ccc(N2C(=O)c3c(c(O)cc(OC)c3C)[C@@H]2c2[nH]c3ccccc3c2C)cc1 ZINC000028950915 563069589 /nfs/dbraw/zinc/06/95/89/563069589.db2.gz MRSAMIOIFPIIMR-RUZDIDTESA-N 0 0 428.488 5.257 1 10 IKCFRN CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4s3)cc2)cc1 ZINC000029129089 563075315 /nfs/dbraw/zinc/07/53/15/563075315.db2.gz YZNWYIXQEFLHQQ-SNAWJCMRSA-N 0 0 432.564 6.938 1 10 IKCFRN CC1=CCCC(C)(C)[C@H]1Cc1c2c(cc(O)c1O)oc1c2oc2cc(O)cc(O)c2c1=O ZINC000043078790 563118465 /nfs/dbraw/zinc/11/84/65/563118465.db2.gz LONDNVXJGNYQEO-AWEZNQCLSA-N 0 0 436.460 5.440 1 10 IKCFRN Oc1ccc(CN(Cc2cccc(Br)c2O)C(=S)Nc2ccccc2)cc1 ZINC000045390916 563134093 /nfs/dbraw/zinc/13/40/93/563134093.db2.gz SOXYLYNQTNNXEV-UHFFFAOYSA-N 0 0 443.366 5.260 1 10 IKCFRN COc1ccc(N(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000059298096 563146506 /nfs/dbraw/zinc/14/65/06/563146506.db2.gz JSTDCLXPZLUQML-VWLOTQADSA-N 0 0 426.557 5.055 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4ccccc4Cl)c3[C@H]12 ZINC000064448027 563153303 /nfs/dbraw/zinc/15/33/03/563153303.db2.gz AOXYRDCHANSRMV-XMMPIXPASA-N 0 0 441.918 5.130 1 10 IKCFRN O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071334611 563162565 /nfs/dbraw/zinc/16/25/65/563162565.db2.gz VIRQSHPZGPOTDW-LJQANCHMSA-N 0 0 444.491 5.041 1 10 IKCFRN Oc1c2ccccc2ccc1-c1cc2nc3cc(Cl)c(Cl)cc3nc2c2ccccc21 ZINC000072110346 563163354 /nfs/dbraw/zinc/16/33/54/563163354.db2.gz UZUWCRLWLMODHC-UHFFFAOYSA-N 0 0 441.317 7.769 1 10 IKCFRN O=C(N[C@@H](c1ccc(Cl)cc1)c1c2c(ccc1O)oc1ccccc12)c1ccccc1 ZINC000072175067 563165301 /nfs/dbraw/zinc/16/53/01/563165301.db2.gz QNSCOCIBIDZNER-VWLOTQADSA-N 0 0 427.887 6.464 1 10 IKCFRN CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCCF)cc3s2)cc1 ZINC000084670471 563175228 /nfs/dbraw/zinc/17/52/28/563175228.db2.gz BYFWYPGZHMAEOF-OCOZRVBESA-N 0 0 432.521 5.159 1 10 IKCFRN COc1ccccc1C(=O)O[C@@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084672219 563175593 /nfs/dbraw/zinc/17/55/93/563175593.db2.gz BKZDAFOPASLEOS-LJQANCHMSA-N 0 0 444.483 5.612 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(F)cc1)CCC2(C)C ZINC000084687583 563175742 /nfs/dbraw/zinc/17/57/42/563175742.db2.gz GTPVRBLJFKYIAT-GOSISDBHSA-N 0 0 432.447 5.743 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C ZINC000084703834 563176584 /nfs/dbraw/zinc/17/65/84/563176584.db2.gz PBQAPBOBOFQEOK-IBGZPJMESA-N 0 0 446.474 5.672 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C ZINC000084703843 563176586 /nfs/dbraw/zinc/17/65/86/563176586.db2.gz FSGHGOKQADDSRN-IBGZPJMESA-N 0 0 446.474 5.672 1 10 IKCFRN CCc1cc2c(N(CC)CC)ccc(OC)c2nc1-c1c(OC)cc(COC)cc1OC ZINC000095578991 563186894 /nfs/dbraw/zinc/18/68/94/563186894.db2.gz YUVOHIRVPNRLGG-UHFFFAOYSA-N 0 0 438.568 5.483 1 10 IKCFRN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)Nc4ccc(N)cc4)c(=O)oc12)CCCC3 ZINC000095581269 563187582 /nfs/dbraw/zinc/18/75/82/563187582.db2.gz KQSYGNACKVYJFK-UHFFFAOYSA-N 0 0 430.504 5.188 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095589546 563189705 /nfs/dbraw/zinc/18/97/05/563189705.db2.gz JDRCDVZZIVLMMJ-UHFFFAOYSA-N 0 0 429.611 5.002 1 10 IKCFRN CCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095590133 563189831 /nfs/dbraw/zinc/18/98/31/563189831.db2.gz NWZMVWNSQIBDMT-UHFFFAOYSA-N 0 0 436.621 5.275 1 10 IKCFRN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000101947393 557296999 /nfs/dbraw/zinc/29/69/99/557296999.db2.gz HEQWCUKWRYJVJE-AXHZCLLHSA-N 0 0 438.499 5.592 1 10 IKCFRN CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O ZINC000001661001 562924312 /nfs/dbraw/zinc/92/43/12/562924312.db2.gz GJZKDVGLDGLPMB-ZVBRSKEYSA-N 0 0 448.603 7.423 1 10 IKCFRN CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862065 562925085 /nfs/dbraw/zinc/92/50/85/562925085.db2.gz UWXXNCLSFKTBBZ-BVAGGSTKSA-N 0 0 432.589 5.174 1 10 IKCFRN CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862064 562925096 /nfs/dbraw/zinc/92/50/96/562925096.db2.gz UWXXNCLSFKTBBZ-ZEQKJWHPSA-N 0 0 432.589 5.174 1 10 IKCFRN C[C@H]1CCC(=Cc2ccc(N(C)C)cc2)C2=NC(=S)N[C@H](c3ccc(N(C)C)cc3)C21 ZINC000005581503 562944253 /nfs/dbraw/zinc/94/42/53/562944253.db2.gz QVQJIPZPBHGBJF-ZSLDMMLYSA-N 0 0 432.637 5.105 1 10 IKCFRN O=C1CS[C@@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000005922241 562945336 /nfs/dbraw/zinc/94/53/36/562945336.db2.gz BACFPTPXYBNCNG-NRFANRHFSA-N 0 0 432.328 6.270 1 10 IKCFRN Cc1cc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)sc2cc1C ZINC000006019468 562945848 /nfs/dbraw/zinc/94/58/48/562945848.db2.gz SGUYHQOXXUAGBS-STZFKDTASA-N 0 0 443.959 6.401 1 10 IKCFRN CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccco4)N=C3c3ccccc3)cc2c1 ZINC000006040771 562946027 /nfs/dbraw/zinc/94/60/27/562946027.db2.gz HMLRKMRSHSEODW-JWGURIENSA-N 0 0 427.529 6.098 1 10 IKCFRN CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000008860431 562965433 /nfs/dbraw/zinc/96/54/33/562965433.db2.gz CYGBGFOMNYTSCV-QNEBEIHSSA-N 0 0 441.656 7.126 1 10 IKCFRN CCCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1SCCCCC ZINC000013675395 563000364 /nfs/dbraw/zinc/00/03/64/563000364.db2.gz DABRITKOKIJFLE-UHFFFAOYSA-N 0 0 428.642 6.093 1 10 IKCFRN COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@H]1C(C)(C)CCC[C@@]1(C)O2 ZINC000014825121 563015113 /nfs/dbraw/zinc/01/51/13/563015113.db2.gz DVUORASKJFBCTF-BKMJKUGQSA-N 0 0 436.504 5.400 1 10 biogenic,in-vitro IKCFRN Cc1cc2c(cccc2NC(=O)NCc2ccc(N3Cc4ccccc4C3)c(F)c2)cn1 ZINC000014973498 563016703 /nfs/dbraw/zinc/01/67/03/563016703.db2.gz VUZBHKUPTNGAHW-UHFFFAOYSA-N 0 0 426.495 5.524 1 10 IKCFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(N)cc4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025974634 563027790 /nfs/dbraw/zinc/02/77/90/563027790.db2.gz DJZPCGDMHHEQEA-UHFFFAOYSA-N 0 0 431.486 5.466 1 10 IKCFRN CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c2cccc3[N+](=O)[O-])c1 ZINC000027524586 563043055 /nfs/dbraw/zinc/04/30/55/563043055.db2.gz HNYUJTUHBRDORU-UHFFFAOYSA-N 0 0 432.436 5.101 1 10 IKCFRN Cc1ccc2c(c1)[C@@H](C(=S)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000027894812 563048083 /nfs/dbraw/zinc/04/80/83/563048083.db2.gz DPHCHNOPDDIKIK-SANMLTNESA-N 0 0 429.629 7.706 1 10 IKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3cccnc3ccc21 ZINC000028010590 563049671 /nfs/dbraw/zinc/04/96/71/563049671.db2.gz GBVDLDUGBDXUJE-UHFFFAOYSA-N 0 0 444.516 5.060 1 10 IKCFRN COC(=O)CCCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S ZINC000028637460 563059853 /nfs/dbraw/zinc/05/98/53/563059853.db2.gz HCQHWQMRXIGULV-HKWRFOASSA-N 0 0 442.606 5.029 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)C2)ccc1O ZINC000028653258 563061237 /nfs/dbraw/zinc/06/12/37/563061237.db2.gz OQRARBGKUBHCHV-XMMPIXPASA-N 0 0 444.604 5.623 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccccc3Cl)C2)ccc1O ZINC000028653292 563061247 /nfs/dbraw/zinc/06/12/47/563061247.db2.gz RFNKUGCLHYTASK-JOCHJYFZSA-N 0 0 435.980 6.211 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O ZINC000028653311 563061251 /nfs/dbraw/zinc/06/12/51/563061251.db2.gz YUUYJMDTZPPDTG-QFIPXVFZSA-N 0 0 446.532 5.465 1 10 IKCFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1c1ccc(F)cc1 ZINC000028653369 563061326 /nfs/dbraw/zinc/06/13/26/563061326.db2.gz XCZUDNITCVDMQP-NRFANRHFSA-N 0 0 435.524 5.396 1 10 IKCFRN CN(C)c1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1 ZINC000028949051 563069378 /nfs/dbraw/zinc/06/93/78/563069378.db2.gz QCMXWMBMGGNOCX-KQQUZDAGSA-N 0 0 447.420 6.922 1 10 IKCFRN CC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)C(=O)C(C)=C1 ZINC000029125520 563074364 /nfs/dbraw/zinc/07/43/64/563074364.db2.gz FMYCXRAOVUODSZ-FSJRDOOXSA-N 0 0 432.911 6.256 1 10 IKCFRN O=C(N[C@@H]1c2c(O)cccc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000029414895 563080056 /nfs/dbraw/zinc/08/00/56/563080056.db2.gz OEAPKJWXUKPSPY-IRPSRAIASA-N 0 0 433.551 6.112 1 10 IKCFRN CCCCCc1ccc(-c2cn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)cc1 ZINC000036383174 563094219 /nfs/dbraw/zinc/09/42/19/563094219.db2.gz XGQKOHFURPOYNY-UHFFFAOYSA-N 0 0 435.527 5.502 1 10 IKCFRN Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000039182232 563098795 /nfs/dbraw/zinc/09/87/95/563098795.db2.gz FKARAOWYAAUAFW-MGRBCSRPSA-N 0 0 440.624 5.419 1 10 IKCFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1ccc(OC)cc1C ZINC000040413759 563101978 /nfs/dbraw/zinc/10/19/78/563101978.db2.gz JPGZXIYEXVGIKX-SANMLTNESA-N 0 0 444.619 6.713 1 10 IKCFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1ccc(OC)cc1C ZINC000040413762 563101984 /nfs/dbraw/zinc/10/19/84/563101984.db2.gz JPGZXIYEXVGIKX-AREMUKBSSA-N 0 0 444.619 6.713 1 10 IKCFRN Cc1cc([C@H](NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12 ZINC000040918417 563111765 /nfs/dbraw/zinc/11/17/65/563111765.db2.gz ZFPLFDYMSDERSK-HSZRJFAPSA-N 0 0 432.907 5.187 1 10 IKCFRN O=C(COc1ccccc1)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O ZINC000040933874 563112295 /nfs/dbraw/zinc/11/22/95/563112295.db2.gz INSYBMPTFWPKLG-QFIPXVFZSA-N 0 0 436.870 5.018 1 10 IKCFRN Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040934912 563112541 /nfs/dbraw/zinc/11/25/41/563112541.db2.gz PBEBMILMXGWHTQ-HSZRJFAPSA-N 0 0 432.907 5.187 1 10 IKCFRN Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1 ZINC000043198356 563119380 /nfs/dbraw/zinc/11/93/80/563119380.db2.gz XEEPPHMHVMVKLE-UHFFFAOYSA-N 0 0 448.570 5.350 1 10 IKCFRN O=C(C(=O)c1ccc(Nc2ccnc3cc(-c4ccccn4)ccc32)cc1)c1ccccc1 ZINC000045209811 563125190 /nfs/dbraw/zinc/12/51/90/563125190.db2.gz RFNBCWUELPZJQJ-UHFFFAOYSA-N 0 0 429.479 6.106 1 10 IKCFRN Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 ZINC000045339578 563131862 /nfs/dbraw/zinc/13/18/62/563131862.db2.gz PGLLJXXZDBFPCN-UHFFFAOYSA-N 0 0 445.357 5.693 1 10 IKCFRN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2OCc1ccccc1 ZINC000049785508 563139763 /nfs/dbraw/zinc/13/97/63/563139763.db2.gz IJWMBORSRYALGH-INADMSBESA-N 0 0 436.548 5.482 1 10 IKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(Br)cc43)c(Cl)n(C)c2cc1C ZINC000058564028 563144541 /nfs/dbraw/zinc/14/45/41/563144541.db2.gz RHXAZNRSVNENCZ-OVCLIPMQSA-N 0 0 431.717 5.404 1 10 IKCFRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1ccc(F)cc1 ZINC000063540171 563152407 /nfs/dbraw/zinc/15/24/07/563152407.db2.gz ZZIXCHIEESZZDI-QQNWGBJXSA-N 0 0 434.514 7.058 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(Cc4cccc(Cl)c4)c3[C@@H]12 ZINC000064436637 563152957 /nfs/dbraw/zinc/15/29/57/563152957.db2.gz NFPAPABGGVKRNR-VWLOTQADSA-N 0 0 427.935 5.490 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(Cc4cccc(Cl)c4)c3[C@H]12 ZINC000064436636 563152973 /nfs/dbraw/zinc/15/29/73/563152973.db2.gz NFPAPABGGVKRNR-RUZDIDTESA-N 0 0 427.935 5.490 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4ccccc4Cl)c3[C@@H]12 ZINC000064448028 563153305 /nfs/dbraw/zinc/15/33/05/563153305.db2.gz AOXYRDCHANSRMV-DEOSSOPVSA-N 0 0 441.918 5.130 1 10 IKCFRN CC[C@H](C)CCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000064491845 563153745 /nfs/dbraw/zinc/15/37/45/563153745.db2.gz PXSMFASSTNYNAH-QHCPKHFHSA-N 0 0 434.661 8.152 1 10 IKCFRN COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc3n[nH]cc31)CCN2CC1CCCCC1 ZINC000066078392 563157782 /nfs/dbraw/zinc/15/77/82/563157782.db2.gz XFXAXIXVJKIEKT-JOCHJYFZSA-N 0 0 433.556 5.225 1 10 IKCFRN O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2N1Cc1ccccc1 ZINC000072106023 563163012 /nfs/dbraw/zinc/16/30/12/563163012.db2.gz WRGZXISRUFAVJR-USHMODERSA-N 0 0 440.546 6.777 1 10 IKCFRN O=NN1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000073222414 563170707 /nfs/dbraw/zinc/17/07/07/563170707.db2.gz NIHNDJCKFIZRRV-JOCHJYFZSA-N 0 0 427.439 5.217 1 10 IKCFRN Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2cc(Br)ccc2O)cc1 ZINC000073275780 563171678 /nfs/dbraw/zinc/17/16/78/563171678.db2.gz DTLXDHRKSABKSF-OAQYLSRUSA-N 0 0 426.335 5.914 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(F)c1)CCC2(C)C ZINC000084687581 563175743 /nfs/dbraw/zinc/17/57/43/563175743.db2.gz NISHFOFTSDPIEL-GOSISDBHSA-N 0 0 432.447 5.743 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1O)CCC2(C)C ZINC000084687431 563175749 /nfs/dbraw/zinc/17/57/49/563175749.db2.gz UZMHVHCTTVVWJH-IBGZPJMESA-N 0 0 444.483 5.238 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C ZINC000084687433 563175758 /nfs/dbraw/zinc/17/57/58/563175758.db2.gz RAOUYZFRVPDETA-IBGZPJMESA-N 0 0 444.483 5.238 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(O)c1)CCC2(C)C ZINC000084688043 563175982 /nfs/dbraw/zinc/17/59/82/563175982.db2.gz NMKSUIQWGPATJR-SFHVURJKSA-N 0 0 430.456 5.309 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1F)CCC2(C)C ZINC000084703658 563176617 /nfs/dbraw/zinc/17/66/17/563176617.db2.gz MUMFCUHBCQENQU-LJQANCHMSA-N 0 0 446.474 5.672 1 10 IKCFRN S=C(NN=c1c2ccccc2[nH]c2ccccc21)Nc1c2ccccc2nc2ccccc21 ZINC000095579613 563187050 /nfs/dbraw/zinc/18/70/50/563187050.db2.gz VQIATTQAOICZLJ-UHFFFAOYSA-N 0 0 445.551 6.403 1 10 IKCFRN CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000095583561 563188296 /nfs/dbraw/zinc/18/82/96/563188296.db2.gz QRSVPKVXMPRRCG-UHFFFAOYSA-N 0 0 441.402 6.616 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095585740 563189049 /nfs/dbraw/zinc/18/90/49/563189049.db2.gz FKEFNETYRMRPCY-UHFFFAOYSA-N 0 0 438.593 5.245 1 10 IKCFRN O=C1/C(=C/c2ccco2)SC(=S)N1CCCCNc1ccnc2cc(Cl)ccc21 ZINC000095588817 563189469 /nfs/dbraw/zinc/18/94/69/563189469.db2.gz WLAVMMJCCZRBGM-UYRXBGFRSA-N 0 0 443.981 5.575 1 10 IKCFRN COc1ccc2nc(-c3ccc(-n4c(C)ccc4-c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000096933011 563198968 /nfs/dbraw/zinc/19/89/68/563198968.db2.gz LEYYGHQLLXITCJ-UHFFFAOYSA-N 0 0 441.512 6.646 1 10 IKCFRN COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc43)=NN2c2ccc(Cl)cc2)cc1 ZINC000096938906 563199895 /nfs/dbraw/zinc/19/98/95/563199895.db2.gz DONQYHFHBSVNMI-DEOSSOPVSA-N 0 0 428.919 6.563 1 10 IKCFRN CC(C)C[C@@H]1CC(c2ccc(O)c(O)c2)=Cc2c(CCc3ccccc3)c(O)c(O)cc21 ZINC000085569222 291397043 /nfs/dbraw/zinc/39/70/43/291397043.db2.gz SHYQKTUMPHRKNN-OAQYLSRUSA-N 0 0 430.544 6.368 1 10 biogenic,in-vitro IKCFRN CC[C@@]12C=Cc3c(O)c(O)cc4c3[C@@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 ZINC000085569194 291404165 /nfs/dbraw/zinc/40/41/65/291404165.db2.gz XPXWPLUTGTUOBV-VSGBNLITSA-N 0 0 442.511 6.157 1 10 biogenic,in-vitro IKCFRN CC[C@@]12CCC[C@@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 ZINC000085569197 291404214 /nfs/dbraw/zinc/40/42/14/291404214.db2.gz WCBHOXUQEIWNHJ-NSOVKSMOSA-N 0 0 444.527 6.076 1 10 biogenic,in-vitro IKCFRN Cc1c(O)c(O)cc2c1CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000085643343 560067407 /nfs/dbraw/zinc/06/74/07/560067407.db2.gz FKARAOWYAAUAFW-XQNXJKPZSA-N 0 0 440.624 5.419 1 10 biogenic,in-vitro IKCFRN Cc1cc(C)n(CC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 ZINC000000605631 562918787 /nfs/dbraw/zinc/91/87/87/562918787.db2.gz CTDQPDMCNMBBKM-UHFFFAOYSA-N 0 0 428.536 5.309 1 10 IKCFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000008860432 562965420 /nfs/dbraw/zinc/96/54/20/562965420.db2.gz ONKDZYNMALBBQX-JLNKQSITSA-N 0 0 437.624 6.678 1 10 IKCFRN Brc1cccc(Nc2ncnc3ccc(NN=NCc4ccccc4)cc32)c1 ZINC000013527503 562991764 /nfs/dbraw/zinc/99/17/64/562991764.db2.gz IEJGXNCMVRIUTE-UHFFFAOYSA-N 0 0 433.313 6.115 1 10 IKCFRN Brc1cccc(Nc2ncnc3ccc(NN=NCc4ccccn4)cc32)c1 ZINC000013527508 562991799 /nfs/dbraw/zinc/99/17/99/562991799.db2.gz ASHLBSIWNNFRBC-UHFFFAOYSA-N 0 0 434.301 5.510 1 10 IKCFRN O=C(NCc1ccc(N2CCCCCC2)cc1C(F)(F)F)Nc1cccc2n[nH]cc21 ZINC000014973509 563016695 /nfs/dbraw/zinc/01/66/95/563016695.db2.gz LWRBKRYFALJNHP-UHFFFAOYSA-N 0 0 431.462 5.284 1 10 IKCFRN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1/N=N/c1ccc(Br)cc1C ZINC000017194692 563021541 /nfs/dbraw/zinc/02/15/41/563021541.db2.gz IVGFWIIFCPOGME-OCEACIFDSA-N 0 0 431.337 7.334 1 10 IKCFRN Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1CN(N1CCCC1)N1CCCC1 ZINC000027519472 563042659 /nfs/dbraw/zinc/04/26/59/563042659.db2.gz CRPGYKPKIJMQEG-UHFFFAOYSA-N 0 0 437.975 5.161 1 10 IKCFRN Nc1ccc(O[C@@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027628459 563044738 /nfs/dbraw/zinc/04/47/38/563044738.db2.gz LKDDUCONRFBZBT-MHZLTWQESA-N 0 0 432.539 5.794 1 10 IKCFRN COc1ccc([C@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028218729 563051652 /nfs/dbraw/zinc/05/16/52/563051652.db2.gz AFYHNDFDUOGPFP-VWLOTQADSA-N 0 0 448.559 5.773 1 10 IKCFRN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S ZINC000028703316 563061697 /nfs/dbraw/zinc/06/16/97/563061697.db2.gz DEJUWKAAKUDTRG-HZHRSRAPSA-N 0 0 447.581 5.676 1 10 IKCFRN COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C ZINC000028948991 563069348 /nfs/dbraw/zinc/06/93/48/563069348.db2.gz WNKBRGRDSFRASQ-WFYKWJGLSA-N 0 0 429.564 5.572 1 10 IKCFRN COc1ccc(N2C(=O)c3c(c(O)cc(OC)c3C)[C@H]2c2[nH]c3ccccc3c2C)cc1 ZINC000028950917 563069597 /nfs/dbraw/zinc/06/95/97/563069597.db2.gz MRSAMIOIFPIIMR-VWLOTQADSA-N 0 0 428.488 5.257 1 10 IKCFRN CCC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)C=CC1=O ZINC000029125524 563074298 /nfs/dbraw/zinc/07/42/98/563074298.db2.gz RZSQJBODSKIQGW-XPBCYZTKSA-N 0 0 432.911 6.201 1 10 IKCFRN CC(C)C1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)C=CC1=O ZINC000029125519 563074380 /nfs/dbraw/zinc/07/43/80/563074380.db2.gz APBUXXOOBDPMMN-ZVKGKFHZSA-N 0 0 446.938 6.762 1 10 IKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3ccccc3)c2cc1C ZINC000033917579 563085084 /nfs/dbraw/zinc/08/50/84/563085084.db2.gz LPUJTOYQSOYHKI-CIAFOILYSA-N 0 0 444.918 5.858 1 10 IKCFRN CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000038320229 563097417 /nfs/dbraw/zinc/09/74/17/563097417.db2.gz XVFJRUXOIOTTGA-YBEGLDIGSA-N 0 0 437.464 5.288 1 10 IKCFRN Cc1ccccc1[C@@H](NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O ZINC000040412062 563101892 /nfs/dbraw/zinc/10/18/92/563101892.db2.gz AICCFEAVYLIUQM-HSZRJFAPSA-N 0 0 432.907 5.187 1 10 IKCFRN O=C([O-])CCCCCCCCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000040476731 563104068 /nfs/dbraw/zinc/10/40/68/563104068.db2.gz VOSBIUURNYAPBY-UHFFFAOYSA-N 0 0 426.560 7.489 1 10 IKCFRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccc4ccccc43)n2Cc2ccco2)s1 ZINC000040846055 563107404 /nfs/dbraw/zinc/10/74/04/563107404.db2.gz RHCKHDODOJRZNC-UHFFFAOYSA-N 0 0 435.490 5.256 1 10 IKCFRN Cc1ccc([C@H](NC(=O)COCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040919059 563112017 /nfs/dbraw/zinc/11/20/17/563112017.db2.gz XXEIIQNKCAMOGD-DEOSSOPVSA-N 0 0 446.934 5.325 1 10 IKCFRN Cc1nn(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C)c1N=Nc1ccc(C)cc1C ZINC000045318978 563130105 /nfs/dbraw/zinc/13/01/05/563130105.db2.gz KOYHBDVTNVYCIC-CYYJNZCTSA-N 0 0 444.491 5.666 1 10 IKCFRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1ccc(F)cc1 ZINC000063540175 563152341 /nfs/dbraw/zinc/15/23/41/563152341.db2.gz ZZIXCHIEESZZDI-OARDWFSCSA-N 0 0 434.514 7.058 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(Cc4ccccc4Cl)c3[C@@H]12 ZINC000064436826 563153004 /nfs/dbraw/zinc/15/30/04/563153004.db2.gz SKNXCPPIOMWSRW-VWLOTQADSA-N 0 0 427.935 5.490 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4cccc(Cl)c4)c3[C@@H]12 ZINC000064437192 563153014 /nfs/dbraw/zinc/15/30/14/563153014.db2.gz JVXOEWBQAIFXQP-DEOSSOPVSA-N 0 0 441.918 5.130 1 10 IKCFRN Cc1nc(-c2ccccc2)sc1C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071282217 563161531 /nfs/dbraw/zinc/16/15/31/563161531.db2.gz DQTWXLMKCQSFPN-OAQYLSRUSA-N 0 0 440.528 5.211 1 10 IKCFRN O=C(c1ccccc1-c1ccc(F)cc1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071296148 563161696 /nfs/dbraw/zinc/16/16/96/563161696.db2.gz AIHWPPDVXDZNAQ-VWLOTQADSA-N 0 0 437.474 5.585 1 10 IKCFRN COc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)cc1 ZINC000072175992 563165500 /nfs/dbraw/zinc/16/55/00/563165500.db2.gz HSQFPAAXIVDORB-UHFFFAOYSA-N 0 0 427.298 5.402 1 10 IKCFRN Oc1c(Br)cc(Br)cc1CNc1ccccc1Br ZINC000072177548 563166009 /nfs/dbraw/zinc/16/60/09/563166009.db2.gz XRDPZXVOYLRZGY-UHFFFAOYSA-N 0 0 435.941 5.292 1 10 IKCFRN O=C(c1ccc(Oc2ccccc2)s1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O ZINC000084605274 563174250 /nfs/dbraw/zinc/17/42/50/563174250.db2.gz RGRFYTIVTOOKOR-UHFFFAOYSA-N 0 0 436.460 5.618 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1)CCC2(C)C ZINC000084687586 563175756 /nfs/dbraw/zinc/17/57/56/563175756.db2.gz PQNJMNOQXBOYKI-IBGZPJMESA-N 0 0 428.484 5.532 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1)CCC2(C)C ZINC000084687585 563175772 /nfs/dbraw/zinc/17/57/72/563175772.db2.gz PQNJMNOQXBOYKI-LJQANCHMSA-N 0 0 428.484 5.532 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(O)cc1)CCC2(C)C ZINC000084688044 563176006 /nfs/dbraw/zinc/17/60/06/563176006.db2.gz MUNCXACQSGLKIZ-GOSISDBHSA-N 0 0 430.456 5.309 1 10 IKCFRN CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)c(/C=C/c3ccc(N(C)C)cc3)nn2)cc1 ZINC000095575119 563185526 /nfs/dbraw/zinc/18/55/26/563185526.db2.gz DEKMKOUGMVNHFY-PTZHXCRQSA-N 0 0 446.598 6.616 1 10 IKCFRN CCN(CC)c1ccc(OC)c2nc(-c3c(Cl)cc(COC)cc3OC)c(C)cc12 ZINC000095579574 563187084 /nfs/dbraw/zinc/18/70/84/563187084.db2.gz HDXQYYYZPINBML-UHFFFAOYSA-N 0 0 428.960 5.873 1 10 IKCFRN CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095580799 563187390 /nfs/dbraw/zinc/18/73/90/563187390.db2.gz DVDYCLRLKJHNDC-UHFFFAOYSA-N 0 0 430.636 6.073 1 10 IKCFRN CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095586349 563189206 /nfs/dbraw/zinc/18/92/06/563189206.db2.gz RUHWKBFHCCZIQF-UHFFFAOYSA-N 0 0 440.609 5.640 1 10 IKCFRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000095586633 563189308 /nfs/dbraw/zinc/18/93/08/563189308.db2.gz HNBCLYRQPDYRSL-UHFFFAOYSA-N 0 0 440.996 5.726 1 10 IKCFRN Cc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000095615553 563194284 /nfs/dbraw/zinc/19/42/84/563194284.db2.gz RLPVOMUFRGFVJT-UHFFFAOYSA-N 0 0 439.575 6.050 1 10 IKCFRN COc1ccc([C@H]2CC(c3c(O)ccc4ccccc43)=NN2c2ccc(Cl)cc2)cc1 ZINC000096938907 563199861 /nfs/dbraw/zinc/19/98/61/563199861.db2.gz DONQYHFHBSVNMI-XMMPIXPASA-N 0 0 428.919 6.563 1 10 IKCFRN CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C1CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592758 291402852 /nfs/dbraw/zinc/40/28/52/291402852.db2.gz XMCOTZLDFODUEY-HHVPKWNMSA-N 0 0 438.564 5.614 1 10 biogenic,in-vitro IKCFRN Cn1c(-c2c(C3=CC(=O)N(c4ccccc4)C3=O)c3ccccc3n2C)cc2ccccc21 ZINC000001858287 562925047 /nfs/dbraw/zinc/92/50/47/562925047.db2.gz KKAYPIDAIJGESD-UHFFFAOYSA-N 0 0 431.495 5.294 1 10 IKCFRN CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862063 562925080 /nfs/dbraw/zinc/92/50/80/562925080.db2.gz UWXXNCLSFKTBBZ-OZXSUGGESA-N 0 0 432.589 5.174 1 10 IKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000002934315 562930771 /nfs/dbraw/zinc/93/07/71/562930771.db2.gz GRZGEYHQQBTIAR-WMZHIEFXSA-N 0 0 441.314 5.402 1 10 IKCFRN O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cc(NCc2cc(O)ccc2O)ccc1O ZINC000003799376 562938236 /nfs/dbraw/zinc/93/82/36/562938236.db2.gz UKUPIEIGJLWQAX-UHFFFAOYSA-N 0 0 437.536 5.179 1 10 IKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@H]1C ZINC000004245696 562942960 /nfs/dbraw/zinc/94/29/60/562942960.db2.gz JKOZDGHYJBZMGU-MVFADMRVSA-N 0 0 446.675 8.854 1 10 IKCFRN C[C@H]1CCC(=Cc2ccc(N(C)C)cc2)C2=NC(=S)N[C@@H](c3ccc(N(C)C)cc3)C21 ZINC000005581495 562944184 /nfs/dbraw/zinc/94/41/84/562944184.db2.gz QVQJIPZPBHGBJF-GRSBAYMPSA-N 0 0 432.637 5.105 1 10 IKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)c1cc(O)c(O)c(O)c1 ZINC000013513131 562991070 /nfs/dbraw/zinc/99/10/70/562991070.db2.gz RVBFYPXDIKAGGS-FLPKSHQQSA-N 0 0 442.596 7.106 1 10 IKCFRN COc1ccc(C2(Cc3ccc(O)cc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 ZINC000013781560 563006612 /nfs/dbraw/zinc/00/66/12/563006612.db2.gz ZKKBPFFSXGWZMM-UHFFFAOYSA-N 0 0 442.511 5.282 1 10 IKCFRN O=C(Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)c1c(Cl)cc(Cl)cc1Cl ZINC000013862838 563013198 /nfs/dbraw/zinc/01/31/98/563013198.db2.gz IFAOXDCXJUYYER-UHFFFAOYSA-N 0 0 430.674 5.945 1 10 IKCFRN COc1c(CC=C(C)C)c(-c2c[nH]c3ccccc32)c(O)c(O)c1-c1c[nH]c2ccccc21 ZINC000014616128 563014621 /nfs/dbraw/zinc/01/46/21/563014621.db2.gz SAKHMTSOQDRICH-UHFFFAOYSA-N 0 0 438.527 6.912 1 10 IKCFRN O=C(NCc1ccc(N2CCCCCC2)c(C(F)(F)F)c1)Nc1cccc2cnccc21 ZINC000014973481 563016629 /nfs/dbraw/zinc/01/66/29/563016629.db2.gz WTLWPEYXQUCNTI-UHFFFAOYSA-N 0 0 442.485 5.956 1 10 IKCFRN O=C(Nc1cccc2cnccc21)N[C@@H](c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000014973654 563016707 /nfs/dbraw/zinc/01/67/07/563016707.db2.gz BXBVGLSLEQRLIT-MHZLTWQESA-N 0 0 436.559 6.136 1 10 IKCFRN O=C(Nc1cccc2cnccc21)N[C@H](c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000014973659 563016710 /nfs/dbraw/zinc/01/67/10/563016710.db2.gz BXBVGLSLEQRLIT-HHHXNRCGSA-N 0 0 436.559 6.136 1 10 IKCFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc(O)c4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025974811 563027802 /nfs/dbraw/zinc/02/78/02/563027802.db2.gz BOEGJNXAOUQVNO-UHFFFAOYSA-N 0 0 448.469 5.295 1 10 IKCFRN CN(C)c1ccc([C@@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c4ccccc4[nH]c32)cc1 ZINC000026816281 563036730 /nfs/dbraw/zinc/03/67/30/563036730.db2.gz CFPAEAOCFWPJMN-AHWVRZQESA-N 0 0 433.559 5.600 1 10 IKCFRN CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc32)cc1 ZINC000026847367 563037610 /nfs/dbraw/zinc/03/76/10/563037610.db2.gz DTSSDCZMUXAHOV-UHFFFAOYSA-N 0 0 432.332 5.810 1 10 IKCFRN CC(=O)Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(CCCCCC(=O)[O-])cc1 ZINC000026844730 563037638 /nfs/dbraw/zinc/03/76/38/563037638.db2.gz YNMIIJIJKVLKFQ-UHFFFAOYSA-N 0 0 441.531 6.278 1 10 IKCFRN Cc1ccc2c(c1)[C@H](C(=S)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000027894806 563048093 /nfs/dbraw/zinc/04/80/93/563048093.db2.gz DPHCHNOPDDIKIK-AREMUKBSSA-N 0 0 429.629 7.706 1 10 IKCFRN COc1ccc([C@@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028218733 563051659 /nfs/dbraw/zinc/05/16/59/563051659.db2.gz AFYHNDFDUOGPFP-RUZDIDTESA-N 0 0 448.559 5.773 1 10 IKCFRN Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1 ZINC000028527309 563057062 /nfs/dbraw/zinc/05/70/62/563057062.db2.gz RQCCHCCWKWFKBM-HSZRJFAPSA-N 0 0 443.344 6.664 1 10 IKCFRN COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2OC)cc1 ZINC000028653322 563061202 /nfs/dbraw/zinc/06/12/02/563061202.db2.gz WGRFYZYGYGIFRM-QFIPXVFZSA-N 0 0 447.560 5.266 1 10 IKCFRN COc1ccc(C2=NN[C@@]3(S2)c2cc(C)ccc2N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000028824775 563066134 /nfs/dbraw/zinc/06/61/34/563066134.db2.gz IUKWVYJCLDMAOM-HSZRJFAPSA-N 0 0 435.936 5.186 1 10 IKCFRN CCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825742 563066345 /nfs/dbraw/zinc/06/63/45/563066345.db2.gz FQXQUYQQAFAGFN-UHFFFAOYSA-N 0 0 433.640 6.556 1 10 IKCFRN CCCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 ZINC000028888586 563068218 /nfs/dbraw/zinc/06/82/18/563068218.db2.gz WUCFSJUOXMKORE-HKWRFOASSA-N 0 0 446.594 5.002 1 10 IKCFRN CCC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)C=CC1=O ZINC000029125523 563074390 /nfs/dbraw/zinc/07/43/90/563074390.db2.gz RZSQJBODSKIQGW-AIPIOJKYSA-N 0 0 432.911 6.201 1 10 IKCFRN CNC(=O)c1cccc2c1nc1c(C)cccc1c2Nc1ccc(NC(=O)OC)cc1NC ZINC000029341044 563078492 /nfs/dbraw/zinc/07/84/92/563078492.db2.gz DSZDSSLJOQKHPV-UHFFFAOYSA-N 0 0 443.507 5.020 1 10 IKCFRN CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc21 ZINC000029466426 563080406 /nfs/dbraw/zinc/08/04/06/563080406.db2.gz AGOQYSVMJNFXQA-UHFFFAOYSA-N 0 0 426.929 5.198 1 10 IKCFRN O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 ZINC000035822504 563089985 /nfs/dbraw/zinc/08/99/85/563089985.db2.gz ZEKQPFMDXLSKEX-UHFFFAOYSA-N 0 0 445.027 5.139 1 10 IKCFRN O=C1NC(=S)S/C1=C\c1cc(-c2coc3ccccc32)ccc1OCc1ccccc1 ZINC000036184605 563091660 /nfs/dbraw/zinc/09/16/60/563091660.db2.gz PAWZKWILVPWSFH-QRVIBDJDSA-N 0 0 443.549 6.168 1 10 IKCFRN O=C1NC(=S)S/C1=C\c1cc2ccccc2cc1OCc1c(F)cccc1Cl ZINC000036184601 563091671 /nfs/dbraw/zinc/09/16/71/563091671.db2.gz HLMCXBXZLODHBC-GRSHGNNSSA-N 0 0 429.925 5.700 1 10 IKCFRN CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000038514078 563097981 /nfs/dbraw/zinc/09/79/81/563097981.db2.gz QUMFQHZIHBPZFC-DNVJHFABSA-N 0 0 448.688 8.031 1 10 IKCFRN CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000038514081 563097985 /nfs/dbraw/zinc/09/79/85/563097985.db2.gz QUMFQHZIHBPZFC-RJGXRXQPSA-N 0 0 448.688 8.031 1 10 IKCFRN C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@]4(C)C=Cc5c(C=O)c(O)c(O)cc5C4=CC[C@@]23C)CC1=O ZINC000040848336 563107800 /nfs/dbraw/zinc/10/78/00/563107800.db2.gz ZIHMKXOMCSCWJB-AHRBEJICSA-N 0 0 434.576 6.158 1 10 IKCFRN CN(CC(=O)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC000040897636 563110651 /nfs/dbraw/zinc/11/06/51/563110651.db2.gz SCNAWHFIKKBCAN-HSZRJFAPSA-N 0 0 449.913 5.075 1 10 IKCFRN Cc1ccc([C@@H](NC(=O)COCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040919060 563112023 /nfs/dbraw/zinc/11/20/23/563112023.db2.gz XXEIIQNKCAMOGD-XMMPIXPASA-N 0 0 446.934 5.325 1 10 IKCFRN O=C(COc1ccccc1)N[C@H](c1ccccc1F)c1cc(Cl)c2cccnc2c1O ZINC000040933287 563112208 /nfs/dbraw/zinc/11/22/08/563112208.db2.gz HQJSTRJMOYWSMG-JOCHJYFZSA-N 0 0 436.870 5.018 1 10 IKCFRN O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(c2ccccc2)N1c1ccccc1 ZINC000040937214 563112968 /nfs/dbraw/zinc/11/29/68/563112968.db2.gz BQQBIKZYNMYROX-UHFFFAOYSA-N 0 0 446.506 5.644 1 10 IKCFRN Cc1noc2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)cc12 ZINC000040956276 563114778 /nfs/dbraw/zinc/11/47/78/563114778.db2.gz CYQCFURFQXCIHR-UHFFFAOYSA-N 0 0 427.504 5.201 1 10 IKCFRN CC1=CCCC(C)(C)[C@@H]1Cc1c2c(cc(O)c1O)oc1c2oc2cc(O)cc(O)c2c1=O ZINC000043078787 563118496 /nfs/dbraw/zinc/11/84/96/563118496.db2.gz LONDNVXJGNYQEO-CQSZACIVSA-N 0 0 436.460 5.440 1 10 IKCFRN COc1ccc(N2CCCCC2)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 ZINC000052565251 563140741 /nfs/dbraw/zinc/14/07/41/563140741.db2.gz HZQJZTWTJHMFAX-UHFFFAOYSA-N 0 0 429.446 5.300 1 10 IKCFRN CCOc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)c(C)c1 ZINC000053184382 563141149 /nfs/dbraw/zinc/14/11/49/563141149.db2.gz SMKXTUQDLSRMEN-UHFFFAOYSA-N 0 0 447.583 5.041 1 10 IKCFRN CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000053201351 563141247 /nfs/dbraw/zinc/14/12/47/563141247.db2.gz CEFVHWJAWWUFQI-UHFFFAOYSA-N 0 0 431.580 6.467 1 10 IKCFRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1ccc(F)cc1 ZINC000063540173 563152340 /nfs/dbraw/zinc/15/23/40/563152340.db2.gz ZZIXCHIEESZZDI-VBOOUTDYSA-N 0 0 434.514 7.058 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(Cc4ccccc4Cl)c3[C@H]12 ZINC000064436823 563152976 /nfs/dbraw/zinc/15/29/76/563152976.db2.gz SKNXCPPIOMWSRW-RUZDIDTESA-N 0 0 427.935 5.490 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4ccc(Cl)cc4)c3[C@H]12 ZINC000064447471 563153214 /nfs/dbraw/zinc/15/32/14/563153214.db2.gz WUKCDERRJXGLBX-XMMPIXPASA-N 0 0 441.918 5.130 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4ccc(Cl)cc4)c3[C@@H]12 ZINC000064447473 563153216 /nfs/dbraw/zinc/15/32/16/563153216.db2.gz WUKCDERRJXGLBX-DEOSSOPVSA-N 0 0 441.918 5.130 1 10 IKCFRN Nc1ccc(CN2c3ccccc3C(C3CCCCC3)=N[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000066075919 563157496 /nfs/dbraw/zinc/15/74/96/563157496.db2.gz YITZVYDGTVRYOQ-SANMLTNESA-N 0 0 437.587 5.796 1 10 IKCFRN Oc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 ZINC000072177436 563166011 /nfs/dbraw/zinc/16/60/11/563166011.db2.gz KDWDCJGSWIWOHN-UHFFFAOYSA-N 0 0 435.941 5.292 1 10 IKCFRN O=C(c1ccc(Oc2ccc(F)cc2)cc1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O ZINC000084605266 563174267 /nfs/dbraw/zinc/17/42/67/563174267.db2.gz PYBPSCYTGKBNJF-UHFFFAOYSA-N 0 0 448.421 5.696 1 10 IKCFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N1C ZINC000084619808 563174689 /nfs/dbraw/zinc/17/46/89/563174689.db2.gz JPKSDILQFSYDCI-UHFFFAOYSA-N 0 0 435.419 5.040 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C ZINC000084687432 563175740 /nfs/dbraw/zinc/17/57/40/563175740.db2.gz RAOUYZFRVPDETA-LJQANCHMSA-N 0 0 444.483 5.238 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1O)CCC2(C)C ZINC000084687430 563175784 /nfs/dbraw/zinc/17/57/84/563175784.db2.gz UZMHVHCTTVVWJH-LJQANCHMSA-N 0 0 444.483 5.238 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1O)CCC2(C)C ZINC000084687714 563175850 /nfs/dbraw/zinc/17/58/50/563175850.db2.gz QWRVFPVDZOIIBN-GOSISDBHSA-N 0 0 430.456 5.309 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C ZINC000084703831 563176583 /nfs/dbraw/zinc/17/65/83/563176583.db2.gz PBQAPBOBOFQEOK-LJQANCHMSA-N 0 0 446.474 5.672 1 10 IKCFRN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1Cc1ccccc1 ZINC000084728062 563178259 /nfs/dbraw/zinc/17/82/59/563178259.db2.gz BTRBJCYSVFYJLN-SOFYXZRVSA-N 0 0 448.352 5.501 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095581748 563187652 /nfs/dbraw/zinc/18/76/52/563187652.db2.gz SWLJKGMUZJJJMA-UHFFFAOYSA-N 0 0 426.557 5.376 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095591946 563190448 /nfs/dbraw/zinc/19/04/48/563190448.db2.gz RJGQTAJDZYVVIZ-UHFFFAOYSA-N 0 0 436.621 6.052 1 10 IKCFRN CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1)c1ccccc1 ZINC000095615586 563194239 /nfs/dbraw/zinc/19/42/39/563194239.db2.gz RZFIAJJLMRMIBB-HAHDFKILSA-N 0 0 429.545 5.426 1 10 IKCFRN CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1)c1ccccc1 ZINC000095614986 563194253 /nfs/dbraw/zinc/19/42/53/563194253.db2.gz WFLINPFRLHPFGO-HMAPJEAMSA-N 0 0 433.508 5.257 1 10 IKCFRN CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@H]1n1cc(-c2ccccc2)nn1 ZINC000096937845 563199647 /nfs/dbraw/zinc/19/96/47/563199647.db2.gz WBTLXJMRDVPJHD-MHZLTWQESA-N 0 0 443.510 5.955 1 10 IKCFRN CCCCCCOC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592744 291402834 /nfs/dbraw/zinc/40/28/34/291402834.db2.gz SRVSLLQIKQGUMY-UIOOFZCWSA-N 0 0 426.553 5.252 1 10 biogenic,in-vitro IKCFRN Oc1cccc(CCCC/C=C\C/C=C\CCCCCCCc2cccc(O)c2O)c1O ZINC000013377939 291411774 /nfs/dbraw/zinc/41/17/74/291411774.db2.gz QSKMIIVRMKYVQQ-PQZOIKATSA-N 0 0 438.608 7.308 1 10 biogenic,in-vitro IKCFRN c1ccc2c(c1)c(N1CCCCC1)cc1nc3c(cc(N4CCCCC4)c4ccccc43)nc12 ZINC000005580932 132275547 /nfs/dbraw/zinc/27/55/47/132275547.db2.gz QXZAXVPILHFJMI-UHFFFAOYSA-N 0 0 446.598 7.070 1 10 IKCFRN O=C1c2cscc2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21 ZINC000001856410 562924983 /nfs/dbraw/zinc/92/49/83/562924983.db2.gz UUPOCRWJAMPRTK-UHFFFAOYSA-N 0 0 426.493 5.682 1 10 IKCFRN Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934313 562930780 /nfs/dbraw/zinc/93/07/80/562930780.db2.gz GRZGEYHQQBTIAR-XXBNENTESA-N 0 0 441.314 5.402 1 10 IKCFRN C[C@@H]1CCC(=Cc2ccc(N(C)C)cc2)C2=NC(=S)N[C@@H](c3ccc(N(C)C)cc3)C21 ZINC000005581487 562944201 /nfs/dbraw/zinc/94/42/01/562944201.db2.gz QVQJIPZPBHGBJF-HDUFONQBSA-N 0 0 432.637 5.105 1 10 IKCFRN CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)cc2c1 ZINC000006040770 562946017 /nfs/dbraw/zinc/94/60/17/562946017.db2.gz ALTSAPVIDQNIQK-JLPGSUDCSA-N 0 0 437.568 6.505 1 10 IKCFRN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(NCc2cc(O)ccc2O)ccc1O ZINC000013735456 563002313 /nfs/dbraw/zinc/00/23/13/563002313.db2.gz LTJOVLPBDIFATN-UHFFFAOYSA-N 0 0 427.456 5.302 1 10 IKCFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)cc1/C=C/c1ccc(O)c(O)c1CC=C(C)C ZINC000014638094 563014696 /nfs/dbraw/zinc/01/46/96/563014696.db2.gz LZRXMBPDNILKDO-ZVBRSKEYSA-N 0 0 448.603 7.423 1 10 IKCFRN CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc32)cc1 ZINC000026848904 563037732 /nfs/dbraw/zinc/03/77/32/563037732.db2.gz VNAQWBPJOGYTJU-UHFFFAOYSA-N 0 0 436.493 5.110 1 10 IKCFRN Cc1cccc2c1nc1c(C)c([N+](=O)[O-])ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026934957 563037793 /nfs/dbraw/zinc/03/77/93/563037793.db2.gz GVRVGQHSBIKYDQ-UHFFFAOYSA-N 0 0 436.493 5.028 1 10 IKCFRN CC(=O)c1cccc2c1C(=O)c1cc(O)ccc1C2=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000027521381 563042744 /nfs/dbraw/zinc/04/27/44/563042744.db2.gz SXRWUGWJUQMCHC-WCWDXBQESA-N 0 0 446.375 5.839 1 10 IKCFRN CCc1cc(N(CC)CC)ccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000028133582 563051467 /nfs/dbraw/zinc/05/14/67/563051467.db2.gz WJVRDNKNCJMNLW-UHFFFAOYSA-N 0 0 446.378 6.618 1 10 IKCFRN COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2C)cc1 ZINC000028653243 563061270 /nfs/dbraw/zinc/06/12/70/563061270.db2.gz UDJBPKLYDWJLQK-QHCPKHFHSA-N 0 0 431.561 5.566 1 10 IKCFRN CC(=O)Nc1cccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000028822670 563065735 /nfs/dbraw/zinc/06/57/35/563065735.db2.gz ISSMVINZXAUKAL-UHFFFAOYSA-N 0 0 430.935 6.644 1 10 IKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(-n2cncn2)cc1 ZINC000028822675 563065758 /nfs/dbraw/zinc/06/57/58/563065758.db2.gz IEDSVCCGGCMQSR-UHFFFAOYSA-N 0 0 440.934 6.266 1 10 IKCFRN COc1ccc(C2=NN[C@]3(S2)c2cc(C)ccc2N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000028824774 563066157 /nfs/dbraw/zinc/06/61/57/563066157.db2.gz IUKWVYJCLDMAOM-QHCPKHFHSA-N 0 0 435.936 5.186 1 10 IKCFRN C[C@@H]1N=C(c2ccccc2Cl)c2c(NN=C3C(F)=CC(=O)C=C3F)cccc2NC1=O ZINC000029125480 563074323 /nfs/dbraw/zinc/07/43/23/563074323.db2.gz STFRBXFBDMXLPE-LGWXLZMOSA-N 0 0 440.837 5.917 1 10 IKCFRN CC(C)C1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)C=CC1=O ZINC000029125518 563074392 /nfs/dbraw/zinc/07/43/92/563074392.db2.gz APBUXXOOBDPMMN-FBFSSQSFSA-N 0 0 446.938 6.762 1 10 IKCFRN CCN(CC)C(=O)N(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000029250317 563077289 /nfs/dbraw/zinc/07/72/89/563077289.db2.gz BNWVTHKIWYAIOP-UHFFFAOYSA-N 0 0 426.948 5.621 1 10 IKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc21 ZINC000029479161 563081073 /nfs/dbraw/zinc/08/10/73/563081073.db2.gz CFNPAJVHZJVQEQ-UHFFFAOYSA-N 0 0 427.913 5.165 1 10 IKCFRN Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3c(Cl)cccc3Cl)C2)ccc1O ZINC000035013088 563088786 /nfs/dbraw/zinc/08/87/86/563088786.db2.gz ZOVRKSCTTOMYFR-LJQANCHMSA-N 0 0 426.303 5.394 1 10 IKCFRN Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3c(Cl)cccc3Cl)C2)ccc1O ZINC000035013090 563088792 /nfs/dbraw/zinc/08/87/92/563088792.db2.gz ZOVRKSCTTOMYFR-IBGZPJMESA-N 0 0 426.303 5.394 1 10 IKCFRN CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000038514080 563097953 /nfs/dbraw/zinc/09/79/53/563097953.db2.gz QUMFQHZIHBPZFC-XPWALMASSA-N 0 0 448.688 8.031 1 10 IKCFRN Cc1ccccc1[C@H](NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O ZINC000040412059 563101906 /nfs/dbraw/zinc/10/19/06/563101906.db2.gz AICCFEAVYLIUQM-QHCPKHFHSA-N 0 0 432.907 5.187 1 10 IKCFRN Oc1ccc2cc1Oc1ccc(cc1)CCc1cc(O)c(O)c(c1)Oc1cccc(c1)CC2 ZINC000040872435 563109009 /nfs/dbraw/zinc/10/90/09/563109009.db2.gz HIUFZGUHHFBMHA-UHFFFAOYSA-N 0 0 440.495 6.272 1 10 IKCFRN CN(CC(=O)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC000040897633 563110671 /nfs/dbraw/zinc/11/06/71/563110671.db2.gz SCNAWHFIKKBCAN-QHCPKHFHSA-N 0 0 449.913 5.075 1 10 IKCFRN Cc1ccc([C@H](NC(=O)CN(C)c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040899974 563110951 /nfs/dbraw/zinc/11/09/51/563110951.db2.gz LXYGEWKTQYLOOA-DEOSSOPVSA-N 0 0 445.950 5.244 1 10 IKCFRN COc1cccc(COc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2cccc(OC)c2)c1 ZINC000045255032 563127216 /nfs/dbraw/zinc/12/72/16/563127216.db2.gz ZKUVSEACMSOWSN-UHFFFAOYSA-N 0 0 429.560 6.485 1 10 IKCFRN Nc1nn2c(nnc3c4ccccc4ccc32)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000045321252 563130283 /nfs/dbraw/zinc/13/02/83/563130283.db2.gz XOHCWKWQYUGBRB-SZCHNNMLSA-N 0 0 443.474 6.844 1 10 IKCFRN COc1ccc2c(c1)[C@@]1(CC=C(C)C)CC[N@@H+](Cc3ccccc3)[C@H]1N2Cc1ccccc1 ZINC000058520158 563143942 /nfs/dbraw/zinc/14/39/42/563143942.db2.gz BOTUNKZALQDRDH-XZWHSSHBSA-N 0 0 438.615 6.542 1 10 IKCFRN Oc1cc(-c2nc3ccccc3c(NCc3ccc(Cl)c(Cl)c3)n2)cc(O)c1O ZINC000058650431 563145976 /nfs/dbraw/zinc/14/59/76/563145976.db2.gz KJFKTLDWAWVLEC-UHFFFAOYSA-N 0 0 428.275 5.333 1 10 IKCFRN O=C(c1ccccc1)c1ccccc1Nc1nc(NCc2cccs2)ncc1[N+](=O)[O-] ZINC000064499548 563153740 /nfs/dbraw/zinc/15/37/40/563153740.db2.gz NZHNEGCQCUDKOL-UHFFFAOYSA-N 0 0 431.477 5.033 1 10 IKCFRN COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3n[nH]cc31)CCN2CC1CCCCC1 ZINC000066078394 563157772 /nfs/dbraw/zinc/15/77/72/563157772.db2.gz XFXAXIXVJKIEKT-QFIPXVFZSA-N 0 0 433.556 5.225 1 10 IKCFRN O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071334609 563162532 /nfs/dbraw/zinc/16/25/32/563162532.db2.gz VIRQSHPZGPOTDW-IBGZPJMESA-N 0 0 444.491 5.041 1 10 IKCFRN O=C(N[C@H](c1ccc(Cl)cc1)c1c2c(ccc1O)oc1ccccc12)c1ccccc1 ZINC000072175068 563165291 /nfs/dbraw/zinc/16/52/91/563165291.db2.gz QNSCOCIBIDZNER-RUZDIDTESA-N 0 0 427.887 6.464 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(F)c1)CCC2(C)C ZINC000084687582 563175739 /nfs/dbraw/zinc/17/57/39/563175739.db2.gz NISHFOFTSDPIEL-SFHVURJKSA-N 0 0 432.447 5.743 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1O)CCC2(C)C ZINC000084687715 563175867 /nfs/dbraw/zinc/17/58/67/563175867.db2.gz QWRVFPVDZOIIBN-SFHVURJKSA-N 0 0 430.456 5.309 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(O)cc1)CCC2(C)C ZINC000084688045 563176009 /nfs/dbraw/zinc/17/60/09/563176009.db2.gz MUNCXACQSGLKIZ-SFHVURJKSA-N 0 0 430.456 5.309 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1F)CCC2(C)C ZINC000084703662 563176615 /nfs/dbraw/zinc/17/66/15/563176615.db2.gz MUMFCUHBCQENQU-IBGZPJMESA-N 0 0 446.474 5.672 1 10 IKCFRN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@@H]2N3C)cc1 ZINC000095577698 563186457 /nfs/dbraw/zinc/18/64/57/563186457.db2.gz UACCYHYWHFDBIH-AREMUKBSSA-N 0 0 427.548 5.928 1 10 IKCFRN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@H]2N3C)cc1 ZINC000095577699 563186458 /nfs/dbraw/zinc/18/64/58/563186458.db2.gz UACCYHYWHFDBIH-SANMLTNESA-N 0 0 427.548 5.928 1 10 IKCFRN CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095588722 563189427 /nfs/dbraw/zinc/18/94/27/563189427.db2.gz AMOGWGAQMCOLMW-UHFFFAOYSA-N 0 0 426.557 5.063 1 10 IKCFRN CCCCCc1c2cc(Cl)ccc2[nH]c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000096933914 563199117 /nfs/dbraw/zinc/19/91/17/563199117.db2.gz ZXNNKSUGABOOCP-UHFFFAOYSA-N 0 0 438.015 6.474 1 10 IKCFRN COc1ccc(C2C(c3ccccc3)=C3C(=O)c4ccccc4C(=O)[C@@]32OC)c2cccnc12 ZINC000096934485 563199291 /nfs/dbraw/zinc/19/92/91/563199291.db2.gz VDPZJLNKRVPVHQ-SVEHJYQDSA-N 0 0 447.490 5.248 1 10 IKCFRN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000016426215 556606533 /nfs/dbraw/zinc/60/65/33/556606533.db2.gz HEQWCUKWRYJVJE-GLDPYIMESA-N 0 0 438.499 5.592 1 10 IKCFRN CCC[C@@H](CC)c1c(O)c(O)c([C@@H](CC)CCC)c([C@@H](CC)CCC)c1[C@H](CC)CCC ZINC000005785402 562944587 /nfs/dbraw/zinc/94/45/87/562944587.db2.gz MERZOBJQFOCPRA-WAPCQROESA-N 0 0 446.760 10.273 1 10 IKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)c(O)ccc1OC(C)=O ZINC000005813186 562944830 /nfs/dbraw/zinc/94/48/30/562944830.db2.gz TVYGOMSIBBSIKO-MLAGYPMBSA-N 0 0 440.624 7.711 1 10 IKCFRN CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cccc1C2=O ZINC000013454767 562987616 /nfs/dbraw/zinc/98/76/16/562987616.db2.gz LCYZGVSSIPHCHX-UHFFFAOYSA-N 0 0 440.448 5.093 1 10 IKCFRN O=C1NC(=S)S/C1=C\c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000013586993 562995581 /nfs/dbraw/zinc/99/55/81/562995581.db2.gz XVYLEONEMYQIGD-XKZIYDEJSA-N 0 0 433.554 5.333 1 10 IKCFRN C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O ZINC000013651628 562999281 /nfs/dbraw/zinc/99/92/81/562999281.db2.gz RKDAJYCNRUOWHQ-LSYYVWMOSA-N 0 0 448.522 5.145 1 10 IKCFRN O=C(NCc1ccc(N2[C@H]3CC[C@@H]2CCC3)cc1C(F)(F)F)Nc1cccc2n[nH]cc21 ZINC000014973533 563016694 /nfs/dbraw/zinc/01/66/94/563016694.db2.gz HGOIAAUCCRMOEG-IYBDPMFKSA-N 0 0 443.473 5.425 1 10 IKCFRN Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)cccc21 ZINC000026841102 563037512 /nfs/dbraw/zinc/03/75/12/563037512.db2.gz CJGWBJODHMIYNW-UHFFFAOYSA-N 0 0 436.493 5.028 1 10 IKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1cccnc12 ZINC000026844368 563037635 /nfs/dbraw/zinc/03/76/35/563037635.db2.gz IOCNNQWCNHNVAX-UHFFFAOYSA-N 0 0 444.516 5.060 1 10 IKCFRN COc1cccc2c1nc1cc(Cl)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026935324 563037809 /nfs/dbraw/zinc/03/78/09/563037809.db2.gz ZTSZLWHQJNYXSU-UHFFFAOYSA-N 0 0 427.913 5.165 1 10 IKCFRN Cc1ccc2c(nc3cc([N+](=O)[O-])ccc3c2Nc2ccc(NS(C)(=O)=O)cc2)c1C ZINC000026935316 563037816 /nfs/dbraw/zinc/03/78/16/563037816.db2.gz HPWMBUWQYPVDNC-UHFFFAOYSA-N 0 0 436.493 5.028 1 10 IKCFRN COC(=O)c1ccc(C(F)(F)F)cc1/N=N\Nc1cc(C(F)(F)F)ccc1C(=O)OC ZINC000027978585 563048470 /nfs/dbraw/zinc/04/84/70/563048470.db2.gz OJTDZXNXKFNZLK-UHFFFAOYSA-N 0 0 449.307 5.408 1 10 IKCFRN O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc(-c2ccccc2)cc1O ZINC000028085895 563050206 /nfs/dbraw/zinc/05/02/06/563050206.db2.gz CWLNTXXGBCECKV-UHFFFAOYSA-N 0 0 425.484 5.508 1 10 IKCFRN O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1ccnc2cc(Cl)ccc21 ZINC000028568294 563058563 /nfs/dbraw/zinc/05/85/63/563058563.db2.gz AMZBWFJFFBAXHD-SFHVURJKSA-N 0 0 426.225 5.407 1 10 IKCFRN Cc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000028653252 563061227 /nfs/dbraw/zinc/06/12/27/563061227.db2.gz URIMCUCUDKWYCW-QFIPXVFZSA-N 0 0 435.980 6.211 1 10 IKCFRN COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2C)cc1 ZINC000028653246 563061239 /nfs/dbraw/zinc/06/12/39/563061239.db2.gz UDJBPKLYDWJLQK-HSZRJFAPSA-N 0 0 431.561 5.566 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccc(N(C)C)cc3)C2)ccc1O ZINC000028653255 563061243 /nfs/dbraw/zinc/06/12/43/563061243.db2.gz OQRARBGKUBHCHV-DEOSSOPVSA-N 0 0 444.604 5.623 1 10 IKCFRN Cc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000028653249 563061261 /nfs/dbraw/zinc/06/12/61/563061261.db2.gz URIMCUCUDKWYCW-JOCHJYFZSA-N 0 0 435.980 6.211 1 10 IKCFRN CN(C)c1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 ZINC000029128805 563075202 /nfs/dbraw/zinc/07/52/02/563075202.db2.gz ZEMFKSUHGOMNNG-LJAQVGFWSA-N 0 0 445.566 6.411 1 10 IKCFRN CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc21 ZINC000029340614 563078481 /nfs/dbraw/zinc/07/84/81/563078481.db2.gz LSKBZSLJZILHJF-UHFFFAOYSA-N 0 0 436.899 6.014 1 10 IKCFRN CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000038514079 563097961 /nfs/dbraw/zinc/09/79/61/563097961.db2.gz QUMFQHZIHBPZFC-YTFSRNRJSA-N 0 0 448.688 8.031 1 10 IKCFRN Oc1ccc2c(c1O)CCc1ccc(O)c(c1)-c1cc(ccc1O)CCc1cccc(c1)O2 ZINC000040392498 563099972 /nfs/dbraw/zinc/09/99/72/563099972.db2.gz QUYHSAXCXCKFJP-UHFFFAOYSA-N 0 0 440.495 5.852 1 10 IKCFRN COCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cc2)c1C ZINC000040407779 563101455 /nfs/dbraw/zinc/10/14/55/563101455.db2.gz UBIIPLVJLRUEQK-UHFFFAOYSA-N 0 0 437.483 5.064 1 10 IKCFRN Cc1ccc([C@@H](NC(=O)CN(C)c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040899977 563110912 /nfs/dbraw/zinc/11/09/12/563110912.db2.gz LXYGEWKTQYLOOA-XMMPIXPASA-N 0 0 445.950 5.244 1 10 IKCFRN O=C(COc1ccccc1)N[C@@H](c1ccccc1F)c1cc(Cl)c2cccnc2c1O ZINC000040933285 563112234 /nfs/dbraw/zinc/11/22/34/563112234.db2.gz HQJSTRJMOYWSMG-QFIPXVFZSA-N 0 0 436.870 5.018 1 10 IKCFRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000043080136 563118557 /nfs/dbraw/zinc/11/85/57/563118557.db2.gz JGPYQZHHHUJZCZ-DQRAZIAOSA-N 0 0 428.363 5.859 1 10 IKCFRN CC(C)(C)CCOC(=O)N1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC000045191800 563123697 /nfs/dbraw/zinc/12/36/97/563123697.db2.gz LDKMCSWVHZOYJI-GOSISDBHSA-N 0 0 433.932 5.020 1 10 IKCFRN CCOC(=O)c1nnc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(N)nn2c1C ZINC000045246023 563126768 /nfs/dbraw/zinc/12/67/68/563126768.db2.gz TYOXYZMGFZRCEJ-OPAZKKILSA-N 0 0 429.444 5.022 1 10 IKCFRN COc1ccc(N(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000059298095 563146546 /nfs/dbraw/zinc/14/65/46/563146546.db2.gz JSTDCLXPZLUQML-RUZDIDTESA-N 0 0 426.557 5.055 1 10 IKCFRN COc1ccc(CC[N@H+](Cc2ccccc2)Cc2c([O-])ccc3c(=O)cc(C)oc32)cc1 ZINC000064479905 563153652 /nfs/dbraw/zinc/15/36/52/563153652.db2.gz VSFJYHQLWUBCAC-UHFFFAOYSA-N 0 0 429.516 5.061 1 10 IKCFRN O=C(c1ccccc1-c1ccc(F)cc1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071296149 563161713 /nfs/dbraw/zinc/16/17/13/563161713.db2.gz AIHWPPDVXDZNAQ-RUZDIDTESA-N 0 0 437.474 5.585 1 10 IKCFRN O=C(c1c(Cl)cccc1Cl)N1C(=O)/C(=C\c2c[nH]c3ccccc23)c2ccccc21 ZINC000072106112 563162996 /nfs/dbraw/zinc/16/29/96/563162996.db2.gz AYFUJDHOZCTHLX-ATVHPVEESA-N 0 0 433.294 6.202 1 10 IKCFRN O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccc(Cl)cc1 ZINC000072177354 563166033 /nfs/dbraw/zinc/16/60/33/563166033.db2.gz VPMARWUJXGNSKO-UHFFFAOYSA-N 0 0 431.717 6.047 1 10 IKCFRN Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2cc(Br)ccc2O)cc1 ZINC000073275778 563171675 /nfs/dbraw/zinc/17/16/75/563171675.db2.gz DTLXDHRKSABKSF-NRFANRHFSA-N 0 0 426.335 5.914 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(O)c1)CCC2(C)C ZINC000084688042 563175968 /nfs/dbraw/zinc/17/59/68/563175968.db2.gz NMKSUIQWGPATJR-GOSISDBHSA-N 0 0 430.456 5.309 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C ZINC000084703653 563176575 /nfs/dbraw/zinc/17/65/75/563176575.db2.gz BVYIZPMNSSFWOV-LJQANCHMSA-N 0 0 444.483 5.238 1 10 IKCFRN CC(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccc(Cc3ccccc3)cc2)cc1 ZINC000095580891 563187359 /nfs/dbraw/zinc/18/73/59/563187359.db2.gz UTSJAOPAQQVOTN-UHFFFAOYSA-N 0 0 431.583 7.352 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095580700 563187361 /nfs/dbraw/zinc/18/73/61/563187361.db2.gz GRJVQDCAARFQCO-UHFFFAOYSA-N 0 0 446.975 5.721 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095583719 563188466 /nfs/dbraw/zinc/18/84/66/563188466.db2.gz DEHAAMLMSFLDOS-UHFFFAOYSA-N 0 0 443.012 5.890 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095585044 563188721 /nfs/dbraw/zinc/18/87/21/563188721.db2.gz IMQWZYVHJQJIKI-UHFFFAOYSA-N 0 0 443.012 5.890 1 10 IKCFRN CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095589282 563189553 /nfs/dbraw/zinc/18/95/53/563189553.db2.gz VSOOECPINLTQAY-UHFFFAOYSA-N 0 0 428.623 5.294 1 10 IKCFRN CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095592401 563190562 /nfs/dbraw/zinc/19/05/62/563190562.db2.gz ZAWKJKUJHNYFAU-UHFFFAOYSA-N 0 0 430.614 5.065 1 10 IKCFRN COc1cc(/C=C/c2ccc(NCc3cc(NCC(C)C)ccc3O)cc2)cc(OC)c1 ZINC000096928154 563198309 /nfs/dbraw/zinc/19/83/09/563198309.db2.gz XHUYTOZEVSPCJI-AATRIKPKSA-N 0 0 432.564 6.260 1 10 IKCFRN Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000096933006 563198948 /nfs/dbraw/zinc/19/89/48/563198948.db2.gz SGTTZGXIMMNFJU-UHFFFAOYSA-N 0 0 429.476 6.777 1 10 IKCFRN COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)c(O)c1)CC2=O ZINC000014727539 291405744 /nfs/dbraw/zinc/40/57/44/291405744.db2.gz JYYYAFQRQMMXDY-JOCHJYFZSA-N 0 0 438.520 5.536 1 10 biogenic,in-vitro IKCFRN O=C1CS[C@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000001653651 562923926 /nfs/dbraw/zinc/92/39/26/562923926.db2.gz BACFPTPXYBNCNG-OAQYLSRUSA-N 0 0 432.328 6.270 1 10 IKCFRN C[C@@H]1CCC(=Cc2ccc(N(C)C)cc2)C2=NC(=S)N[C@H](c3ccc(N(C)C)cc3)C21 ZINC000005581498 562944190 /nfs/dbraw/zinc/94/41/90/562944190.db2.gz QVQJIPZPBHGBJF-MMZPKYCFSA-N 0 0 432.637 5.105 1 10 IKCFRN O=[N+]([O-])c1ccc(NN/N=N/c2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 ZINC000006040996 562946090 /nfs/dbraw/zinc/94/60/90/562946090.db2.gz VKWKUUIYUVVQTR-UHFFFAOYSA-N 0 0 435.425 5.395 1 10 IKCFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(N)cc2)c1 ZINC000013487475 562989363 /nfs/dbraw/zinc/98/93/63/562989363.db2.gz GBTKPSKAWCAELO-UHFFFAOYSA-N 0 0 435.936 5.950 1 10 IKCFRN COc1ccc([C@@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)c(OC)c1 ZINC000013651972 562999258 /nfs/dbraw/zinc/99/92/58/562999258.db2.gz MHDNFULXWYWLAO-SANMLTNESA-N 0 0 446.547 6.441 1 10 IKCFRN Cc1c(C(=O)c2ccccc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000013762070 563005261 /nfs/dbraw/zinc/00/52/61/563005261.db2.gz FUNWFIDUKZOKJX-UHFFFAOYSA-N 0 0 433.504 5.226 1 10 IKCFRN O=C(NCc1ccc(N2CCCCCC2)c(C(F)(F)F)c1)Nc1cccc2n[nH]cc21 ZINC000014973513 563016693 /nfs/dbraw/zinc/01/66/93/563016693.db2.gz HROAXNCXUIKFGJ-UHFFFAOYSA-N 0 0 431.462 5.284 1 10 IKCFRN CN(C)c1ccc([C@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c4ccccc4[nH]c32)cc1 ZINC000026816286 563036726 /nfs/dbraw/zinc/03/67/26/563036726.db2.gz CFPAEAOCFWPJMN-AZGAKELHSA-N 0 0 433.559 5.600 1 10 IKCFRN Cc1ccc2c(c1)nc1c(C)c([N+](=O)[O-])ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026935449 563037791 /nfs/dbraw/zinc/03/77/91/563037791.db2.gz OWHZRDLAXSBYOS-UHFFFAOYSA-N 0 0 436.493 5.028 1 10 IKCFRN Nc1ccc(O[C@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027628465 563044748 /nfs/dbraw/zinc/04/47/48/563044748.db2.gz LKDDUCONRFBZBT-HHHXNRCGSA-N 0 0 432.539 5.794 1 10 IKCFRN Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@H](c2ccc(Br)cc2)C1 ZINC000028527311 563057038 /nfs/dbraw/zinc/05/70/38/563057038.db2.gz RQCCHCCWKWFKBM-QHCPKHFHSA-N 0 0 443.344 6.664 1 10 IKCFRN CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCc2cc(O)c(O)cc2[C@H]1C ZINC000028651371 563061123 /nfs/dbraw/zinc/06/11/23/563061123.db2.gz HRWXKOZDOJISQG-DCFHCLGCSA-N 0 0 441.656 7.357 1 10 IKCFRN CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCc2cc(O)c(O)cc2[C@@H]1C ZINC000028651368 563061182 /nfs/dbraw/zinc/06/11/82/563061182.db2.gz HRWXKOZDOJISQG-XKMAGYSMSA-N 0 0 441.656 7.357 1 10 IKCFRN Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O ZINC000028653307 563061241 /nfs/dbraw/zinc/06/12/41/563061241.db2.gz YUUYJMDTZPPDTG-JOCHJYFZSA-N 0 0 446.532 5.465 1 10 IKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(Cc3ccccc3)c2cc1C ZINC000028655920 563061288 /nfs/dbraw/zinc/06/12/88/563061288.db2.gz GGHWWBPESSSSBK-CIAFOILYSA-N 0 0 446.909 6.292 1 10 IKCFRN C[C@H]1N=C(c2ccccc2Cl)c2c(NN=C3C(F)=CC(=O)C=C3F)cccc2NC1=O ZINC000029125481 563074369 /nfs/dbraw/zinc/07/43/69/563074369.db2.gz STFRBXFBDMXLPE-UZQYBIKJSA-N 0 0 440.837 5.917 1 10 IKCFRN CN(C)c1ccc(-c2ccc(OCc3ccccc3)c(C=C3SC(=S)NC3=O)c2)cc1 ZINC000036184606 563091691 /nfs/dbraw/zinc/09/16/91/563091691.db2.gz YTPDZDCCIYWUQV-HAHDFKILSA-N 0 0 446.597 5.487 1 10 IKCFRN O=c1c2ccccc2oc(-c2ccc(O)cc2)c1Cc1ccc(-c2ccc(O)c(O)c2)cc1 ZINC000040431189 563103586 /nfs/dbraw/zinc/10/35/86/563103586.db2.gz YMGDLFHMXJVBJO-UHFFFAOYSA-N 0 0 436.463 5.835 1 10 IKCFRN O=C(COc1ccccc1)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O ZINC000040933876 563112306 /nfs/dbraw/zinc/11/23/06/563112306.db2.gz INSYBMPTFWPKLG-JOCHJYFZSA-N 0 0 436.870 5.018 1 10 IKCFRN O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Br)c1O ZINC000045335417 563131263 /nfs/dbraw/zinc/13/12/63/563131263.db2.gz AMPJVHBLKDNTBD-UHFFFAOYSA-N 0 0 427.298 5.095 1 10 IKCFRN O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cccc(Br)c1O ZINC000045340087 563131942 /nfs/dbraw/zinc/13/19/42/563131942.db2.gz DOFNHGGYAVHZBW-UHFFFAOYSA-N 0 0 429.289 5.528 1 10 IKCFRN CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053064464 563140923 /nfs/dbraw/zinc/14/09/23/563140923.db2.gz VMQGVVBBBYRPKU-UHFFFAOYSA-N 0 0 431.580 6.467 1 10 IKCFRN Oc1cc(-c2nc3ccccc3c(Nc3ccc(OC(F)(F)F)cc3)n2)cc(O)c1O ZINC000058592004 563145637 /nfs/dbraw/zinc/14/56/37/563145637.db2.gz IRASDTREQJUPRQ-UHFFFAOYSA-N 0 0 429.354 5.056 1 10 IKCFRN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(C(=O)c4cccc(Cl)c4)c3[C@H]12 ZINC000064437191 563153020 /nfs/dbraw/zinc/15/30/20/563153020.db2.gz JVXOEWBQAIFXQP-XMMPIXPASA-N 0 0 441.918 5.130 1 10 IKCFRN O=C(c1c(Cl)cccc1Cl)n1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21 ZINC000072106111 563162997 /nfs/dbraw/zinc/16/29/97/563162997.db2.gz VZFWBLNAWKREPU-ATVHPVEESA-N 0 0 433.294 6.129 1 10 IKCFRN COc1ccccc1C(=O)O[C@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084672220 563175616 /nfs/dbraw/zinc/17/56/16/563175616.db2.gz BKZDAFOPASLEOS-IBGZPJMESA-N 0 0 444.483 5.612 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000095585007 563188741 /nfs/dbraw/zinc/18/87/41/563188741.db2.gz HPEHCTLESOYBRN-UHFFFAOYSA-N 0 0 443.012 5.890 1 10 IKCFRN CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095586068 563189089 /nfs/dbraw/zinc/18/90/89/563189089.db2.gz YKMOKNGXGVSTSS-UHFFFAOYSA-N 0 0 443.012 5.577 1 10 IKCFRN COCCN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cn1 ZINC000096286530 563197375 /nfs/dbraw/zinc/19/73/75/563197375.db2.gz CAYGOJDNPJSXTQ-UHFFFAOYSA-N 0 0 440.547 5.183 1 10 IKCFRN COc1ccc(C2C(c3ccccc3)=C3C(=O)c4ccccc4C(=O)[C@]32OC)c2cccnc12 ZINC000096934487 563199321 /nfs/dbraw/zinc/19/93/21/563199321.db2.gz VDPZJLNKRVPVHQ-VAVYLYDRSA-N 0 0 447.490 5.248 1 10 IKCFRN CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@H]1n1cc(-c2ccccc2)nn1 ZINC000096937844 563199635 /nfs/dbraw/zinc/19/96/35/563199635.db2.gz WBTLXJMRDVPJHD-HHHXNRCGSA-N 0 0 443.510 5.955 1 10 IKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\Cc1c(O)c(O)ccc1OC(C)=O ZINC000014764756 571722561 /nfs/dbraw/zinc/72/25/61/571722561.db2.gz TVYGOMSIBBSIKO-DCVNSYBLSA-N 0 0 440.624 7.711 1 10 endogenous,in-man IKCFRN CC(=O)Oc1c(C)c(-c2ccccc2)c(C)c(-c2ccccc2)c1C(=S)c1ccccc1 ZINC000001619763 562923262 /nfs/dbraw/zinc/92/32/62/562923262.db2.gz ANLRMKXCSBVPGW-UHFFFAOYSA-N 0 0 436.576 7.329 1 10 IKCFRN O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2ccccc2s1 ZINC000006020192 562945927 /nfs/dbraw/zinc/94/59/27/562945927.db2.gz LYGGGFCNCRTUEY-JXAWBTAJSA-N 0 0 426.457 5.039 1 10 IKCFRN COc1ccc([C@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)c(OC)c1 ZINC000013651973 562999260 /nfs/dbraw/zinc/99/92/60/562999260.db2.gz MHDNFULXWYWLAO-AREMUKBSSA-N 0 0 446.547 6.441 1 10 IKCFRN CC1(C)CCC[N@H+](Cc2c([O-])ccc3c2oc(N)c(-c2nc4ccccc4s2)c3=O)C1 ZINC000013656208 562999374 /nfs/dbraw/zinc/99/93/74/562999374.db2.gz LJOIDUOJWKRCJN-UHFFFAOYSA-N 0 0 435.549 5.222 1 10 IKCFRN CCCCCCc1c(=O)c2c(cc(OC)c(OC)c2OC)oc1-c1ccc(O)c(O)c1 ZINC000013822657 563010152 /nfs/dbraw/zinc/01/01/52/563010152.db2.gz AGHLBKAXSXUIGE-UHFFFAOYSA-N 0 0 428.481 5.020 1 10 IKCFRN O=C(NCc1ccc(N2CCCCCC2)cc1C(F)(F)F)Nc1cccc2cnccc21 ZINC000014973477 563016647 /nfs/dbraw/zinc/01/66/47/563016647.db2.gz ZKQRPIWAYULZNE-UHFFFAOYSA-N 0 0 442.485 5.956 1 10 IKCFRN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1/N=N/c1ccc(C)cc1Br ZINC000017194701 563021582 /nfs/dbraw/zinc/02/15/82/563021582.db2.gz LYXHSOROIZVADN-OCEACIFDSA-N 0 0 431.337 7.334 1 10 IKCFRN COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1)OC ZINC000026004348 563028295 /nfs/dbraw/zinc/02/82/95/563028295.db2.gz FMPFXPZSYKJEBC-UHFFFAOYSA-N 0 0 438.380 5.853 1 10 IKCFRN O=C(Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1)Nc1ccc(C(=O)[O-])cc1 ZINC000026841144 563037530 /nfs/dbraw/zinc/03/75/30/563037530.db2.gz LIEOYHCBHISIDW-UHFFFAOYSA-N 0 0 448.482 6.474 1 10 IKCFRN O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1ccnc2cc(Cl)ccc21 ZINC000028568293 563058494 /nfs/dbraw/zinc/05/84/94/563058494.db2.gz AMZBWFJFFBAXHD-GOSISDBHSA-N 0 0 426.225 5.407 1 10 IKCFRN COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2OC)cc1 ZINC000028653326 563061229 /nfs/dbraw/zinc/06/12/29/563061229.db2.gz WGRFYZYGYGIFRM-JOCHJYFZSA-N 0 0 447.560 5.266 1 10 IKCFRN CC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)C(=O)C(C)=C1 ZINC000029125521 563074387 /nfs/dbraw/zinc/07/43/87/563074387.db2.gz FMYCXRAOVUODSZ-FSGUPOOJSA-N 0 0 432.911 6.256 1 10 IKCFRN CN(C)c1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 ZINC000029128806 563075219 /nfs/dbraw/zinc/07/52/19/563075219.db2.gz ZEMFKSUHGOMNNG-GDLZYMKVSA-N 0 0 445.566 6.411 1 10 IKCFRN CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4s3)cc2)cc1 ZINC000029129050 563075322 /nfs/dbraw/zinc/07/53/22/563075322.db2.gz JJKIBQVSZODQDV-SNAWJCMRSA-N 0 0 432.564 6.938 1 10 IKCFRN Cc1cc([C@@H](NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12 ZINC000040918418 563111747 /nfs/dbraw/zinc/11/17/47/563111747.db2.gz ZFPLFDYMSDERSK-QHCPKHFHSA-N 0 0 432.907 5.187 1 10 IKCFRN Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040934910 563112545 /nfs/dbraw/zinc/11/25/45/563112545.db2.gz PBEBMILMXGWHTQ-QHCPKHFHSA-N 0 0 432.907 5.187 1 10 IKCFRN CC(C)(C)CCOC(=O)N1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC000045191797 563123740 /nfs/dbraw/zinc/12/37/40/563123740.db2.gz LDKMCSWVHZOYJI-SFHVURJKSA-N 0 0 433.932 5.020 1 10 IKCFRN NC(=O)c1cccc(Nc2nccc(Nc3ccc(Oc4cccc5ccccc54)cc3)n2)c1 ZINC000045334740 563131196 /nfs/dbraw/zinc/13/11/96/563131196.db2.gz XUCGMVZVCKIERH-UHFFFAOYSA-N 0 0 447.498 6.008 1 10 IKCFRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1ccc(F)cc1 ZINC000063540174 563152348 /nfs/dbraw/zinc/15/23/48/563152348.db2.gz ZZIXCHIEESZZDI-SKVJQKLOSA-N 0 0 434.514 7.058 1 10 IKCFRN CC[C@H](C)CCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000064491739 563153775 /nfs/dbraw/zinc/15/37/75/563153775.db2.gz ZUMMJNOHRJORPD-DEOSSOPVSA-N 0 0 448.688 8.542 1 10 IKCFRN Nc1ccc(CN2c3ccccc3C(c3ccccc3)=N[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000066075760 563157509 /nfs/dbraw/zinc/15/75/09/563157509.db2.gz TTYDRONMYXXZIN-SANMLTNESA-N 0 0 431.539 5.264 1 10 IKCFRN CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000066112650 563159097 /nfs/dbraw/zinc/15/90/97/563159097.db2.gz JICJSIWGIYQGAO-MBMMKWFLSA-N 0 0 449.635 6.844 1 10 IKCFRN Cc1nc(-c2ccccc2)sc1C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071282214 563161510 /nfs/dbraw/zinc/16/15/10/563161510.db2.gz DQTWXLMKCQSFPN-NRFANRHFSA-N 0 0 440.528 5.211 1 10 IKCFRN O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccccc1Cl ZINC000072177353 563166013 /nfs/dbraw/zinc/16/60/13/563166013.db2.gz JJRADWMPGTVGRB-UHFFFAOYSA-N 0 0 431.717 6.047 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(F)cc1)CCC2(C)C ZINC000084687584 563175733 /nfs/dbraw/zinc/17/57/33/563175733.db2.gz GTPVRBLJFKYIAT-SFHVURJKSA-N 0 0 432.447 5.743 1 10 IKCFRN CSc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 ZINC000084689826 563176215 /nfs/dbraw/zinc/17/62/15/563176215.db2.gz BBLIVFWXBMDWRN-JMQWPVDRSA-N 0 0 448.592 5.083 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C ZINC000084703656 563176585 /nfs/dbraw/zinc/17/65/85/563176585.db2.gz BVYIZPMNSSFWOV-IBGZPJMESA-N 0 0 444.483 5.238 1 10 IKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C ZINC000084703838 563176600 /nfs/dbraw/zinc/17/66/00/563176600.db2.gz FSGHGOKQADDSRN-LJQANCHMSA-N 0 0 446.474 5.672 1 10 IKCFRN CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(Cl)cc12 ZINC000095578975 563186909 /nfs/dbraw/zinc/18/69/09/563186909.db2.gz GBSCOSJWUVKUFM-UHFFFAOYSA-N 0 0 444.959 5.574 1 10 IKCFRN CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(F)cc12 ZINC000095580152 563187172 /nfs/dbraw/zinc/18/71/72/563187172.db2.gz RATJKEGVDDQIEC-UHFFFAOYSA-N 0 0 428.504 5.059 1 10 IKCFRN CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000095583071 563188205 /nfs/dbraw/zinc/18/82/05/563188205.db2.gz LGCCDZDUQFDBDR-UHFFFAOYSA-N 0 0 428.985 5.582 1 10 IKCFRN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095590487 563189961 /nfs/dbraw/zinc/18/99/61/563189961.db2.gz QSYJQQBEKFPBTF-UHFFFAOYSA-N 0 0 440.584 5.371 1 10 IKCFRN CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095591782 563190393 /nfs/dbraw/zinc/19/03/93/563190393.db2.gz MBPQEOSRDRLVBB-UHFFFAOYSA-N 0 0 442.669 6.180 1 10 IKCFRN COc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1 ZINC000096933010 563198947 /nfs/dbraw/zinc/19/89/47/563198947.db2.gz MAPAJSGHJZGUAU-UHFFFAOYSA-N 0 0 426.541 6.747 1 10 IKCFRN COc1ccc(C2C(c3ccccc3)=C3C(=O)c4ccccc4C(=O)[C@]32OC)c2cccnc12 ZINC000096934486 563199293 /nfs/dbraw/zinc/19/92/93/563199293.db2.gz VDPZJLNKRVPVHQ-ABYGYWHVSA-N 0 0 447.490 5.248 1 10 IKCFRN