smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000017310337 210209090 /nfs/dbraw/zinc/20/90/90/210209090.db2.gz VCWHOGNAMHTILH-UHFFFAOYSA-N 0 3 389.524 4.958 50 0 GJAAHN O=C(c1ccc(Cl)cc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017080338 210203819 /nfs/dbraw/zinc/20/38/19/210203819.db2.gz AWQPIOGKEILUNB-UHFFFAOYSA-N 0 3 393.358 4.720 50 0 GJAAHN CN(C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000016599594 210191761 /nfs/dbraw/zinc/19/17/61/210191761.db2.gz ASUWYEFMGJGPDF-IBGZPJMESA-N 0 3 386.586 4.588 50 0 GJAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000015679778 210162691 /nfs/dbraw/zinc/16/26/91/210162691.db2.gz BMNIVUAODHFAFV-UHFFFAOYSA-N 0 3 399.510 4.661 50 0 GJAAHN CCOc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCN(CC)CC2)cc1 ZINC000015679802 210161762 /nfs/dbraw/zinc/16/17/62/210161762.db2.gz KEHFUDRRGCLQPZ-UHFFFAOYSA-N 0 3 399.510 4.743 50 0 GJAAHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000015346585 210155430 /nfs/dbraw/zinc/15/54/30/210155430.db2.gz XQEXGWPZQTUYJU-IBGZPJMESA-N 0 3 396.556 4.532 50 0 GJAAHN COc1ccc(-c2nc(CN3CCCC[C@@H]3CCO)c(C)o2)c2ccccc12 ZINC000015061956 210144779 /nfs/dbraw/zinc/14/47/79/210144779.db2.gz ZPZGDAJNMUKMKH-QGZVFWFLSA-N 0 3 380.488 4.549 50 0 GJAAHN COc1cccc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012570324 209975864 /nfs/dbraw/zinc/97/58/64/209975864.db2.gz LYQFZOKZXMBKQR-UHFFFAOYSA-N 0 3 393.449 4.531 50 0 GJAAHN CCN(CC)[C@H](CNC(=O)/C=C\c1nc2ccccc2s1)c1ccccc1 ZINC000096035476 209239973 /nfs/dbraw/zinc/23/99/73/209239973.db2.gz WGJBOPYCNLSSOE-VKNLVWNJSA-N 0 3 379.529 4.509 50 0 GJAAHN Cc1cc(NC(=S)N(CCN2CCCCC2)Cc2ccco2)ccc1Cl ZINC000003662383 204018099 /nfs/dbraw/zinc/01/80/99/204018099.db2.gz XFBDVLQVJYXQLG-UHFFFAOYSA-N 0 3 391.968 4.926 50 0 GJAAHN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1Cl ZINC000004554086 204051790 /nfs/dbraw/zinc/05/17/90/204051790.db2.gz IXRZQNHAEAWOAT-QGZVFWFLSA-N 0 3 391.924 4.606 50 0 GJAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005092199 204110584 /nfs/dbraw/zinc/11/05/84/204110584.db2.gz GJSSIJLKHZRFQY-FQEVSTJZSA-N 0 3 381.907 4.696 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000005591216 204141732 /nfs/dbraw/zinc/14/17/32/204141732.db2.gz BHOJBSDIXNALLO-GOSISDBHSA-N 0 3 385.895 4.679 50 0 GJAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000006877662 204218985 /nfs/dbraw/zinc/21/89/85/204218985.db2.gz GYJDAOSQXCUYOO-UHFFFAOYSA-N 0 3 395.547 4.830 50 0 GJAAHN Cc1ccccc1CN(Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000036104415 204306433 /nfs/dbraw/zinc/30/64/33/204306433.db2.gz FXWNNWBJKVRPLE-VWLOTQADSA-N 0 3 375.512 4.575 50 0 GJAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2C)C1 ZINC000009151110 204299625 /nfs/dbraw/zinc/29/96/25/204299625.db2.gz DINDNHURUGMXJJ-UHFFFAOYSA-N 0 3 394.544 4.547 50 0 GJAAHN O=C(CCC1CCN(Cc2cccn2-c2cccnc2)CC1)Nc1ccccc1 ZINC000011667902 204349509 /nfs/dbraw/zinc/34/95/09/204349509.db2.gz ZDLRQLUQVAPWHN-UHFFFAOYSA-N 0 3 388.515 4.503 50 0 GJAAHN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000011753551 204352809 /nfs/dbraw/zinc/35/28/09/204352809.db2.gz AVRJCDQEFCLXRB-IBGZPJMESA-N 0 3 385.939 4.819 50 0 GJAAHN CSc1ccc(NC(=O)[C@H]2CC23CCN(Cc2cccc(C)c2)CC3)cc1 ZINC000012184986 204380200 /nfs/dbraw/zinc/38/02/00/204380200.db2.gz YSFWUWDLZRXXHB-OAQYLSRUSA-N 0 3 380.557 4.958 50 0 GJAAHN OCC1(CCCc2ccccc2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012301885 204390904 /nfs/dbraw/zinc/39/09/04/204390904.db2.gz YVODWPLZEOMWST-UHFFFAOYSA-N 0 3 389.543 4.674 50 0 GJAAHN COc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)cc1 ZINC000012798648 204451533 /nfs/dbraw/zinc/45/15/33/204451533.db2.gz MJCYLEWUFYIREL-HSZRJFAPSA-N 0 3 390.483 4.520 50 0 GJAAHN COc1ccc(OC[C@H](O)CN(Cc2ccc(C)s2)Cc2ccccc2)cc1 ZINC000036101154 205005522 /nfs/dbraw/zinc/00/55/22/205005522.db2.gz KXRSCPUZRJTFHS-HXUWFJFHSA-N 0 3 397.540 4.507 50 0 GJAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036104691 205006270 /nfs/dbraw/zinc/00/62/70/205006270.db2.gz NFYHCACXMFSEFZ-XMMPIXPASA-N 0 3 393.502 4.885 50 0 GJAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301571 205011248 /nfs/dbraw/zinc/01/12/48/205011248.db2.gz XBHMDFIMTGLSNX-HXUWFJFHSA-N 0 3 393.531 4.861 50 0 GJAAHN O=C(Nc1cc(Cl)ccc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000040095859 205050722 /nfs/dbraw/zinc/05/07/22/205050722.db2.gz FIGPDLOGWRJNTM-UHFFFAOYSA-N 0 3 378.303 4.780 50 0 GJAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H](OC)C2)cc1 ZINC000072407266 205344815 /nfs/dbraw/zinc/34/48/15/205344815.db2.gz RGHFPOIXVQMGBH-JOCHJYFZSA-N 0 3 376.500 4.830 50 0 GJAAHN CCCN(Cc1nnc(Cc2ccccc2C)o1)[C@H]1CCc2ccccc2C1 ZINC000079108049 205382570 /nfs/dbraw/zinc/38/25/70/205382570.db2.gz QPYISZXGSBBPDB-QFIPXVFZSA-N 0 3 375.516 4.738 50 0 GJAAHN C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000032759589 206094950 /nfs/dbraw/zinc/09/49/50/206094950.db2.gz BKJUBXJOXMYEGH-OXJNMPFZSA-N 0 3 379.891 4.636 50 0 GJAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000299757140 206185332 /nfs/dbraw/zinc/18/53/32/206185332.db2.gz NDLGCWBAYVUANT-JOCHJYFZSA-N 0 3 379.504 4.538 50 0 GJAAHN O[C@@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072422172 211115644 /nfs/dbraw/zinc/11/56/44/211115644.db2.gz USMVZCBUXUTKJN-OAQYLSRUSA-N 0 3 378.903 4.611 50 0 GJAAHN Fc1ccccc1-c1nc2ccccc2c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000097922816 136188737 /nfs/dbraw/zinc/18/87/37/136188737.db2.gz QYHBYHLILDBRAT-UHFFFAOYSA-N 0 3 398.485 4.758 50 0 GJAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012799536 570220262 /nfs/dbraw/zinc/22/02/62/570220262.db2.gz GHFQYBQTHUKJCE-OAQYLSRUSA-N 0 3 376.525 4.982 50 0 GJAAHN COC(=O)Cn1c2ccc(C)cc2c2c1[C@H](N[C@@H](C)c1ccccc1)CCC2 ZINC000000978478 570232987 /nfs/dbraw/zinc/23/29/87/570232987.db2.gz IPVYABONDHEMAS-LAUBAEHRSA-N 0 3 376.500 4.851 50 0 GJAAHN CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000001447586 570263359 /nfs/dbraw/zinc/26/33/59/570263359.db2.gz AMHFGGSHEKMWRM-UHFFFAOYSA-N 0 3 397.526 4.538 50 0 GJAAHN Cc1ccc(C)c([C@@H](C)NCC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000049605834 570270870 /nfs/dbraw/zinc/27/08/70/570270870.db2.gz FCLKQQJYSMBKRV-HXUWFJFHSA-N 0 3 376.500 4.776 50 0 GJAAHN C/C(=C\c1ccccc1)CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000022914268 570334739 /nfs/dbraw/zinc/33/47/39/570334739.db2.gz PFBROMPXQUZCCM-WVLWKRQNSA-N 0 3 393.550 4.516 50 0 GJAAHN Cc1ccccc1-c1cccc(CN2CCc3nnc(-c4ccccc4)n3CC2)c1 ZINC000023128493 570345458 /nfs/dbraw/zinc/34/54/58/570345458.db2.gz YFTASVJLGLRPNF-UHFFFAOYSA-N 0 3 394.522 4.979 50 0 GJAAHN CCN(CC)Cc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000024926655 570349669 /nfs/dbraw/zinc/34/96/69/570349669.db2.gz UCTHHYBADZWVAD-UHFFFAOYSA-N 0 3 385.558 4.895 50 0 GJAAHN CCCOc1ccc(N2C(=O)C[C@@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 ZINC000004887816 570356361 /nfs/dbraw/zinc/35/63/61/570356361.db2.gz GWURKFAHBSJFLB-OAQYLSRUSA-N 0 3 388.552 4.502 50 0 GJAAHN CC(=O)Nc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000025312986 570410630 /nfs/dbraw/zinc/41/06/30/570410630.db2.gz LQEFKAJPUYYFJC-UHFFFAOYSA-N 0 3 396.494 4.788 50 0 GJAAHN CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027741461 570440703 /nfs/dbraw/zinc/44/07/03/570440703.db2.gz ZJBMZEKWEGNRKM-HXUWFJFHSA-N 0 3 386.561 4.884 50 0 GJAAHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1C)c1ccc(C(C)(C)C)cc1 ZINC000028290636 570456157 /nfs/dbraw/zinc/45/61/57/570456157.db2.gz BMDDUXFTVZFJOL-QFIPXVFZSA-N 0 3 396.575 4.871 50 0 GJAAHN O[C@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)CN1CCc2ccccc2C1 ZINC000028296807 570457695 /nfs/dbraw/zinc/45/76/95/570457695.db2.gz QKFZOMGHFZCHBG-IBGZPJMESA-N 0 3 394.946 4.593 50 0 GJAAHN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000036031543 570517728 /nfs/dbraw/zinc/51/77/28/570517728.db2.gz JCLJZHVSMRTZIV-JOCHJYFZSA-N 0 3 381.903 4.782 50 0 GJAAHN Cc1ccccc1-c1cccc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)c1 ZINC000011712177 570580425 /nfs/dbraw/zinc/58/04/25/570580425.db2.gz GBJKUOQXEBKSJG-JOCHJYFZSA-N 0 3 399.538 4.699 50 0 GJAAHN CN(C)CCOc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 ZINC000071808639 570589523 /nfs/dbraw/zinc/58/95/23/570589523.db2.gz YLTXRRGJZWBKRG-HXUWFJFHSA-N 0 3 387.549 4.742 50 0 GJAAHN Cc1ccc(C)c(-n2cc(CNCCc3cscn3)c(-c3ccccc3)n2)c1 ZINC000012090139 570607048 /nfs/dbraw/zinc/60/70/48/570607048.db2.gz TXTMZYOFVKYTCW-UHFFFAOYSA-N 0 3 388.540 4.945 50 0 GJAAHN COCC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000012387608 570652425 /nfs/dbraw/zinc/65/24/25/570652425.db2.gz XDAHRNRTMXUZHS-UHFFFAOYSA-N 0 3 393.506 4.845 50 0 GJAAHN Cc1ccccc1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012430527 570658921 /nfs/dbraw/zinc/65/89/21/570658921.db2.gz KTJAISHVETYIOR-UHFFFAOYSA-N 0 3 392.543 4.665 50 0 GJAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000012459782 570670694 /nfs/dbraw/zinc/67/06/94/570670694.db2.gz VVHRMXPNMGMMTM-UHFFFAOYSA-N 0 3 388.914 4.506 50 0 GJAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCCc4ccccc4)C3)C2)c1 ZINC000012586491 570685394 /nfs/dbraw/zinc/68/53/94/570685394.db2.gz KUJXHNURYWYVPG-SANMLTNESA-N 0 3 390.571 4.832 50 0 GJAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCCc4ccccc4)C3)C2)c1 ZINC000012586486 570685649 /nfs/dbraw/zinc/68/56/49/570685649.db2.gz KUJXHNURYWYVPG-AREMUKBSSA-N 0 3 390.571 4.832 50 0 GJAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000058167947 570714458 /nfs/dbraw/zinc/71/44/58/570714458.db2.gz UCAMZGYOHDGDOK-IBGZPJMESA-N 0 3 387.911 4.564 50 0 GJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000058356573 570728911 /nfs/dbraw/zinc/72/89/11/570728911.db2.gz IHVKBKYSVPOQBT-SFHVURJKSA-N 0 3 385.870 4.527 50 0 GJAAHN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000102746449 570861078 /nfs/dbraw/zinc/86/10/78/570861078.db2.gz VBYFJVGKRCTMDW-GPXOXTDOSA-N 0 3 395.543 4.881 50 0 GJAAHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000032869476 570864372 /nfs/dbraw/zinc/86/43/72/570864372.db2.gz GSBGLZVHBQLCMT-LJQANCHMSA-N 0 3 388.895 4.523 50 0 GJAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)NC1CC1 ZINC000015062912 570874586 /nfs/dbraw/zinc/87/45/86/570874586.db2.gz AXZCCONNMKCOFI-FQEVSTJZSA-N 0 3 392.543 4.536 50 0 GJAAHN COC(=O)c1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)cc1 ZINC000015067490 570876235 /nfs/dbraw/zinc/87/62/35/570876235.db2.gz XZOTYEVUNRGBAA-NRFANRHFSA-N 0 3 389.499 4.551 50 0 GJAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1sccc1Cl ZINC000015066774 570876297 /nfs/dbraw/zinc/87/62/97/570876297.db2.gz DDGVOYCNPHHRIG-UHFFFAOYSA-N 0 3 394.943 4.567 50 0 GJAAHN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879775 570882110 /nfs/dbraw/zinc/88/21/10/570882110.db2.gz HMKJWWWCQMRAGT-KRWDZBQOSA-N 0 3 393.506 4.534 50 0 GJAAHN Cc1ncsc1C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107149353 570971428 /nfs/dbraw/zinc/97/14/28/570971428.db2.gz IOQIRLHHICHWAN-HOCLYGCPSA-N 0 3 398.450 4.710 50 0 GJAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)c(C)s1 ZINC000046056949 571017093 /nfs/dbraw/zinc/01/70/93/571017093.db2.gz UBVMSSGGKNPDDQ-KRWDZBQOSA-N 0 3 393.512 4.785 50 0 GJAAHN C[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC1CCCCC1 ZINC000019623554 571021813 /nfs/dbraw/zinc/02/18/13/571021813.db2.gz GZMRUUMQVPJDPX-AVRDEDQJSA-N 0 3 389.543 4.727 50 0 GJAAHN COc1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1OC ZINC000019361762 210244846 /nfs/dbraw/zinc/24/48/46/210244846.db2.gz IUTAKTOPLYNOIK-UHFFFAOYSA-N 0 3 394.559 4.548 50 0 GJAAHN CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862355 210175586 /nfs/dbraw/zinc/17/55/86/210175586.db2.gz FYCXWXDGKKCPIM-UHFFFAOYSA-N 0 3 378.516 4.956 50 0 GJAAHN CN1CCCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000426677479 530052636 /nfs/dbraw/zinc/05/26/36/530052636.db2.gz NFHNZBULORZQIQ-QGZVFWFLSA-N 0 3 376.422 4.587 50 0 GJAAHN COc1cc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)ccc1F ZINC000015003287 210142927 /nfs/dbraw/zinc/14/29/27/210142927.db2.gz HAOOTSPRPSNEAH-KRWDZBQOSA-N 0 3 383.442 4.743 50 0 GJAAHN Cc1ccc(CN2CCC(CNC(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000013363866 210058666 /nfs/dbraw/zinc/05/86/66/210058666.db2.gz WIOLOIZQRXZPOF-UHFFFAOYSA-N 0 3 385.939 4.991 50 0 GJAAHN COc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1OC ZINC000002178118 209348168 /nfs/dbraw/zinc/34/81/68/209348168.db2.gz OFUNTRKJIIPZKL-UHFFFAOYSA-N 0 3 377.484 4.615 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000004898821 204088200 /nfs/dbraw/zinc/08/82/00/204088200.db2.gz KYDXLYCZFCDKCN-NRFANRHFSA-N 0 3 379.479 4.571 50 0 GJAAHN CCCCN(C)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004552820 204052478 /nfs/dbraw/zinc/05/24/78/204052478.db2.gz QTPXAXZFVZFOLY-UHFFFAOYSA-N 0 3 394.559 4.736 50 0 GJAAHN COCCC1=C[C@@](O)(C(F)(F)F)N(c2c(Cl)cc(Cl)cc2Cl)N1 ZINC000005525331 204137114 /nfs/dbraw/zinc/13/71/14/204137114.db2.gz SPJQBIRTWJCYBD-GFCCVEGCSA-N 0 3 391.604 4.500 50 0 GJAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccco3)CC2)c1 ZINC000011817528 204354543 /nfs/dbraw/zinc/35/45/43/204354543.db2.gz DWAVJKJRJSSAON-UHFFFAOYSA-N 0 3 390.483 4.806 50 0 GJAAHN CCN(CC)[C@@H](CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290579 204872870 /nfs/dbraw/zinc/87/28/70/204872870.db2.gz ONVGGUGVFWILKS-QHCPKHFHSA-N 0 3 396.575 4.871 50 0 GJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)cc1 ZINC000036101946 205005926 /nfs/dbraw/zinc/00/59/26/205005926.db2.gz WTENGAAJTIKZKN-QHCPKHFHSA-N 0 3 379.475 4.576 50 0 GJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)s1 ZINC000036101519 205005935 /nfs/dbraw/zinc/00/59/35/205005935.db2.gz NQJQYYASDSNQNU-QFIPXVFZSA-N 0 3 399.531 4.776 50 0 GJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c(C)c1 ZINC000036098990 205006434 /nfs/dbraw/zinc/00/64/34/205006434.db2.gz YPZUTMNWVNQUPU-HSZRJFAPSA-N 0 3 397.490 4.615 50 0 GJAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036104661 205006508 /nfs/dbraw/zinc/00/65/08/205006508.db2.gz NNTVHWGQBBBVGO-HSZRJFAPSA-N 0 3 379.475 4.576 50 0 GJAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccc(Cl)c2)c1 ZINC000046057389 205103234 /nfs/dbraw/zinc/10/32/34/205103234.db2.gz RHOYYOGZDHYHFZ-SFHVURJKSA-N 0 3 393.874 4.705 50 0 GJAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccc(Cl)c2)c1 ZINC000046057386 205103814 /nfs/dbraw/zinc/10/38/14/205103814.db2.gz RHOYYOGZDHYHFZ-GOSISDBHSA-N 0 3 393.874 4.705 50 0 GJAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 ZINC000069250326 205271434 /nfs/dbraw/zinc/27/14/34/205271434.db2.gz WGJBOPYCNLSSOE-JUWJPQTCSA-N 0 3 379.529 4.509 50 0 GJAAHN COc1ccc2cc(CN3CCC[C@@H](CO)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072431179 205350912 /nfs/dbraw/zinc/35/09/12/205350912.db2.gz TZCCAODJDXDSLQ-MRXNPFEDSA-N 0 3 396.918 4.768 50 0 GJAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1OC ZINC000299759968 206186803 /nfs/dbraw/zinc/18/68/03/206186803.db2.gz RVDYUYMFQARBNH-GOSISDBHSA-N 0 3 395.478 4.613 50 0 GJAAHN FC(F)(F)c1cc(N2CCCN(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000089834947 211186042 /nfs/dbraw/zinc/18/60/42/211186042.db2.gz DOGLFIISUWVYEI-UHFFFAOYSA-N 0 3 385.433 4.966 50 0 GJAAHN C[C@@H]1CN(c2ccccc2)CCN1Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067489696 211009186 /nfs/dbraw/zinc/00/91/86/211009186.db2.gz ITLTZAUJGJYSTR-LJQANCHMSA-N 0 3 382.511 4.941 50 0 GJAAHN CN1CC=C(CN(C(=O)c2cccc(F)c2)[C@@H]2CCCc3ccccc32)CC1 ZINC000067675640 211014588 /nfs/dbraw/zinc/01/45/88/211014588.db2.gz HHFYMPSCWLWGHO-HSZRJFAPSA-N 0 3 378.491 4.607 50 0 GJAAHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879774 210598261 /nfs/dbraw/zinc/59/82/61/210598261.db2.gz HMKJWWWCQMRAGT-QGZVFWFLSA-N 0 3 393.506 4.534 50 0 GJAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012799544 221233620 /nfs/dbraw/zinc/23/36/20/221233620.db2.gz GHFQYBQTHUKJCE-NRFANRHFSA-N 0 3 376.525 4.982 50 0 GJAAHN Clc1ccc2c(c1)nccc2N1CCN(Cc2cccc3cccnc32)CC1 ZINC000040040179 132392782 /nfs/dbraw/zinc/39/27/82/132392782.db2.gz KNYCGPQQAHXRPM-UHFFFAOYSA-N 0 3 388.902 4.759 50 0 GJAAHN Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)c2ccccc2n1 ZINC000095531217 136181921 /nfs/dbraw/zinc/18/19/21/136181921.db2.gz UKALLDPXKDRUMI-UHFFFAOYSA-N 0 3 383.499 4.567 50 0 GJAAHN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020242066 570249385 /nfs/dbraw/zinc/24/93/85/570249385.db2.gz SDNWNLIXPOKKAI-OAQYLSRUSA-N 0 3 398.550 4.996 50 0 GJAAHN Cc1ccc([C@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000034740413 570327227 /nfs/dbraw/zinc/32/72/27/570327227.db2.gz TZNFWXYOBBKSAO-ISKFKSNPSA-N 0 3 396.575 4.944 50 0 GJAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740816 570327738 /nfs/dbraw/zinc/32/77/38/570327738.db2.gz NGBKUSFYRHTSBD-DENIHFKCSA-N 0 3 386.511 4.527 50 0 GJAAHN Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCCC2)c1 ZINC000004979959 570388603 /nfs/dbraw/zinc/38/86/03/570388603.db2.gz CHZRUARDNGCBKD-UTKZUKDTSA-N 0 3 388.602 4.799 50 0 GJAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005092201 570415477 /nfs/dbraw/zinc/41/54/77/570415477.db2.gz GJSSIJLKHZRFQY-HXUWFJFHSA-N 0 3 381.907 4.696 50 0 GJAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005093116 570415567 /nfs/dbraw/zinc/41/55/67/570415567.db2.gz RJYRKOXQOXBLNU-HXUWFJFHSA-N 0 3 381.907 4.696 50 0 GJAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000239402538 570429737 /nfs/dbraw/zinc/42/97/37/570429737.db2.gz QTRIGFJYNKGEIO-XPGKHFPBSA-N 0 3 389.514 5.761 50 0 GJAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000242339207 570432411 /nfs/dbraw/zinc/43/24/11/570432411.db2.gz ZFXHABJSDFWQQE-DNVCBOLYSA-N 0 3 392.396 4.601 50 0 GJAAHN CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027584102 570436877 /nfs/dbraw/zinc/43/68/77/570436877.db2.gz UGAAWPUMYWHSBL-JOCHJYFZSA-N 0 3 380.532 4.741 50 0 GJAAHN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1Cl ZINC000027662732 570438656 /nfs/dbraw/zinc/43/86/56/570438656.db2.gz YQIBLVPGXGFOMB-QGZVFWFLSA-N 0 3 392.952 4.757 50 0 GJAAHN COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027795754 570443373 /nfs/dbraw/zinc/44/33/73/570443373.db2.gz FUGTWLHBXXSGCS-OAQYLSRUSA-N 0 3 386.923 4.696 50 0 biogenic GJAAHN CC1CCN([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 ZINC000028291561 570456559 /nfs/dbraw/zinc/45/65/59/570456559.db2.gz IIRUIMGNTAVNDQ-LIPMQLJGSA-N 0 3 386.605 4.854 50 0 GJAAHN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000000758023 570533663 /nfs/dbraw/zinc/53/36/63/570533663.db2.gz QCDANHKJUPAPSY-HSZRJFAPSA-N 0 3 381.560 4.813 50 0 GJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036101948 570538855 /nfs/dbraw/zinc/53/88/55/570538855.db2.gz WTENGAAJTIKZKN-HSZRJFAPSA-N 0 3 379.475 4.576 50 0 GJAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1sccc1-c1ccccc1 ZINC000032983787 570572085 /nfs/dbraw/zinc/57/20/85/570572085.db2.gz AKBALQRKGSMPEE-OAQYLSRUSA-N 0 3 376.525 4.982 50 0 GJAAHN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc3nonc3c2)cc1 ZINC000011753957 570581616 /nfs/dbraw/zinc/58/16/16/570581616.db2.gz CEPJOLLZNPGOCJ-NRFANRHFSA-N 0 3 387.487 4.520 50 0 GJAAHN Cc1nc2c(n1[C@H]1CCN(Cc3coc(-c4cccc(Cl)c4)n3)C1)CCCC2 ZINC000225666320 570600330 /nfs/dbraw/zinc/60/03/30/570600330.db2.gz MWLGMRGWUHHQFE-IBGZPJMESA-N 0 3 396.922 4.826 50 0 GJAAHN COc1ccc(C)cc1NC(=O)[C@H](NCCc1cccs1)c1ccccc1 ZINC000036386864 570658433 /nfs/dbraw/zinc/65/84/33/570658433.db2.gz BOPGUXQHSNYXLS-OAQYLSRUSA-N 0 3 380.513 4.577 50 0 GJAAHN Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1C ZINC000012585387 570685117 /nfs/dbraw/zinc/68/51/17/570685117.db2.gz OZZZDBCZDVBRTC-UHFFFAOYSA-N 0 3 394.563 4.774 50 0 GJAAHN CCc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000012596212 570689080 /nfs/dbraw/zinc/68/90/80/570689080.db2.gz BDKITYXDJOREAH-UHFFFAOYSA-N 0 3 392.543 4.528 50 0 GJAAHN COc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)c1cccnc1 ZINC000017318674 570704464 /nfs/dbraw/zinc/70/44/64/570704464.db2.gz MGXUGVNLZHMVDN-GOSISDBHSA-N 0 3 384.483 4.794 50 0 GJAAHN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000012718831 570705842 /nfs/dbraw/zinc/70/58/42/570705842.db2.gz AGICHMRLBCTVTQ-GOSISDBHSA-N 0 3 394.902 4.992 50 0 GJAAHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1OC ZINC000006922838 570706960 /nfs/dbraw/zinc/70/69/60/570706960.db2.gz QZYSXKPKTXYODP-IEZKXTBUSA-N 0 3 395.543 4.881 50 0 biogenic GJAAHN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006380985 570724559 /nfs/dbraw/zinc/72/45/59/570724559.db2.gz XOZQFEQVRDICDF-JIAPAWFRSA-N 0 3 393.527 4.782 50 0 GJAAHN c1nc(-c2ccccc2)c(-c2cccnc2)n1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000065436262 570769118 /nfs/dbraw/zinc/76/91/18/570769118.db2.gz DISZDWNYTBSKGY-HSZRJFAPSA-N 0 3 395.510 4.844 50 0 GJAAHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745242 570960078 /nfs/dbraw/zinc/96/00/78/570960078.db2.gz QCVNOWBSLHBOBJ-HSZRJFAPSA-N 0 3 394.534 4.519 50 0 GJAAHN FC(F)Oc1cccc(CN2CCC(c3nccn3CC3CCC3)CC2)c1 ZINC000091434582 571007403 /nfs/dbraw/zinc/00/74/03/571007403.db2.gz ONGIOJJJTBMPDH-UHFFFAOYSA-N 0 3 375.463 4.664 50 0 GJAAHN Cc1ccccc1OCCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000014079500 210101932 /nfs/dbraw/zinc/10/19/32/210101932.db2.gz RQZZRRFIXBKOOK-UHFFFAOYSA-N 0 3 381.303 4.641 50 0 GJAAHN Cc1ccc(-c2nc(CN3CCCCC3)cc(C[NH+]3CCCCC3)c2[O-])cc1 ZINC000000754191 209263453 /nfs/dbraw/zinc/26/34/53/209263453.db2.gz SLQXSPDKMZEODT-UHFFFAOYSA-N 0 3 379.548 4.734 50 0 GJAAHN C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000239275103 209213963 /nfs/dbraw/zinc/21/39/63/209213963.db2.gz BEWVWNGYSGPFME-XPNIBREUSA-N 0 3 391.942 5.726 50 0 GJAAHN CN(C)[C@@H](CNC(=S)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000006027016 204161771 /nfs/dbraw/zinc/16/17/71/204161771.db2.gz UKKMRDJTDPHJBM-INIZCTEOSA-N 0 3 381.517 4.591 50 0 GJAAHN Cc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1 ZINC000006428895 204178353 /nfs/dbraw/zinc/17/83/53/204178353.db2.gz HTZQTFJZCQZKBO-UHFFFAOYSA-N 0 3 386.524 4.993 50 0 GJAAHN O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](c1cccs1)N1CCCC1 ZINC000007687051 204246233 /nfs/dbraw/zinc/24/62/33/204246233.db2.gz YXLFCEZYBPCYHO-INIZCTEOSA-N 0 3 383.344 4.551 50 0 GJAAHN Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cc(=O)c3ccccc3[nH]2)c1C ZINC000012207466 204383762 /nfs/dbraw/zinc/38/37/62/204383762.db2.gz FNOOYACBYFBVDI-OAQYLSRUSA-N 0 3 398.510 4.910 50 0 GJAAHN CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCOC1 ZINC000012301320 204390528 /nfs/dbraw/zinc/39/05/28/204390528.db2.gz FHBCDIDHFWNBDL-OAQYLSRUSA-N 0 3 387.483 4.565 50 0 GJAAHN O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccncc2)CC1 ZINC000012307809 204392563 /nfs/dbraw/zinc/39/25/63/204392563.db2.gz KCNSEMDSCKUGBR-UHFFFAOYSA-N 0 3 389.474 4.738 50 0 GJAAHN O=C(c1ccc(CN2CCCCC2)cc1)N(Cc1ccco1)Cc1cccnc1 ZINC000040050527 205047062 /nfs/dbraw/zinc/04/70/62/205047062.db2.gz ZQLOZKMUECRTFX-UHFFFAOYSA-N 0 3 389.499 4.503 50 0 GJAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000043083283 205081349 /nfs/dbraw/zinc/08/13/49/205081349.db2.gz GOHNMMIOXQNTHS-QGZVFWFLSA-N 0 3 383.442 4.743 50 0 GJAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)c(C)s1 ZINC000046056379 205102632 /nfs/dbraw/zinc/10/26/32/205102632.db2.gz PKKBIUCFNNYCPK-SFHVURJKSA-N 0 3 393.512 4.785 50 0 GJAAHN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccc(Cl)c2)cc1 ZINC000046057571 205103905 /nfs/dbraw/zinc/10/39/05/205103905.db2.gz QBJQCXWCHKAODL-GOSISDBHSA-N 0 3 393.874 4.705 50 0 GJAAHN CC(C)(C)N1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000063726624 205186768 /nfs/dbraw/zinc/18/67/68/205186768.db2.gz QQSSQYJIRVRIBC-UHFFFAOYSA-N 0 3 396.375 4.671 50 0 GJAAHN N=C1SC(Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005176128 205818061 /nfs/dbraw/zinc/81/80/61/205818061.db2.gz XHWYSFAENWTFOE-AWEZNQCLSA-N 0 3 395.709 4.728 50 0 GJAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1OC ZINC000299759969 206186625 /nfs/dbraw/zinc/18/66/25/206186625.db2.gz RVDYUYMFQARBNH-SFHVURJKSA-N 0 3 395.478 4.613 50 0 GJAAHN CCN(CC)CCN(C(=O)c1ccccc1Cl)c1nc2ccccc2s1 ZINC000004585301 211547701 /nfs/dbraw/zinc/54/77/01/211547701.db2.gz IJOLPKVKCXNZHE-UHFFFAOYSA-N 0 3 387.936 4.938 50 0 GJAAHN O=C(Cc1ccc2ccccc2c1)NCC1CCN(Cc2ccccc2F)CC1 ZINC000089878751 211186519 /nfs/dbraw/zinc/18/65/19/211186519.db2.gz CZWWROGYZXJABQ-UHFFFAOYSA-N 0 3 390.502 4.550 50 0 GJAAHN CO[C@@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000072418255 211115611 /nfs/dbraw/zinc/11/56/11/211115611.db2.gz YCWLQVJMEOYGDF-JOCHJYFZSA-N 0 3 379.479 4.598 50 0 GJAAHN OC[C@H]1CCCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072457490 211123055 /nfs/dbraw/zinc/12/30/55/211123055.db2.gz DEHUFGOOTAJQKB-HNNXBMFYSA-N 0 3 384.882 4.899 50 0 GJAAHN COc1cccc(OC)c1CN1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000020600827 210349752 /nfs/dbraw/zinc/34/97/52/210349752.db2.gz BGOFGHAHDYJVPF-IBGZPJMESA-N 0 3 391.515 4.782 50 0 GJAAHN FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000019840957 210302237 /nfs/dbraw/zinc/30/22/37/210302237.db2.gz DDFPPVUNLJWCSO-QGZVFWFLSA-N 0 3 386.421 4.870 50 0 GJAAHN COc1ccc(C)cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019812525 210300949 /nfs/dbraw/zinc/30/09/49/210300949.db2.gz AVFLLBXUQWGXSR-UHFFFAOYSA-N 0 3 386.495 4.814 50 0 GJAAHN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4ccccc43)CC2)cc1 ZINC000019681674 210282363 /nfs/dbraw/zinc/28/23/63/210282363.db2.gz SJNZMXPJQGTFGM-UHFFFAOYSA-N 0 3 380.495 4.541 50 0 GJAAHN CCOc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749422 220761287 /nfs/dbraw/zinc/76/12/87/220761287.db2.gz QSIANECXYMVURA-UHFFFAOYSA-N 0 3 389.337 4.924 50 0 GJAAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3c(C)[nH]c4ccccc43)C2)c(OC)c1 ZINC000012074922 221148100 /nfs/dbraw/zinc/14/81/00/221148100.db2.gz JROJDGNPVQRXAG-KRWDZBQOSA-N 0 3 392.499 4.588 50 0 GJAAHN c1[nH]c2ccccc2c1CCNC1(c2nnnn2C2CCCCC2)CCCCC1 ZINC000006062612 570232443 /nfs/dbraw/zinc/23/24/43/570232443.db2.gz ROQUJVRLVRSCOP-UHFFFAOYSA-N 0 3 392.551 4.651 50 0 GJAAHN COc1ccc(-c2nc(CN3CCCC[C@@H]3CCn3ccnc3)c(C)o2)cc1C ZINC000020450577 570256784 /nfs/dbraw/zinc/25/67/84/570256784.db2.gz 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BFEGJKNLQIYOIO-HXUWFJFHSA-N 0 3 396.332 4.861 50 0 GJAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 ZINC000027582052 570436835 /nfs/dbraw/zinc/43/68/35/570436835.db2.gz KNBFSNWQBLTLGI-DEOSSOPVSA-N 0 3 394.559 4.724 50 0 GJAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662513 570438729 /nfs/dbraw/zinc/43/87/29/570438729.db2.gz OJUADLYIVSZNJG-FQEVSTJZSA-N 0 3 386.561 4.882 50 0 GJAAHN Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 ZINC000028288712 570455177 /nfs/dbraw/zinc/45/51/77/570455177.db2.gz XSCCOFQESXYBBL-HSZRJFAPSA-N 0 3 394.559 4.625 50 0 GJAAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288663 570455194 /nfs/dbraw/zinc/45/51/94/570455194.db2.gz VRXFLXHVSZNXJV-HSZRJFAPSA-N 0 3 394.559 4.950 50 0 GJAAHN COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000035841025 570463169 /nfs/dbraw/zinc/46/31/69/570463169.db2.gz HZUKLHLDALAMKW-UHFFFAOYSA-N 0 3 396.506 4.723 50 0 GJAAHN Cc1cc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)ccc1C(C)C ZINC000005258078 570527772 /nfs/dbraw/zinc/52/77/72/570527772.db2.gz ROHJKXRUWFYNNN-HSZRJFAPSA-N 0 3 381.560 4.813 50 0 GJAAHN Cc1ccccc1CN(Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036104438 570541269 /nfs/dbraw/zinc/54/12/69/570541269.db2.gz HMGGHAYKHAMAMX-DEOSSOPVSA-N 0 3 375.512 4.746 50 0 GJAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036104658 570541494 /nfs/dbraw/zinc/54/14/94/570541494.db2.gz NNTVHWGQBBBVGO-QHCPKHFHSA-N 0 3 379.475 4.576 50 0 GJAAHN COc1ccccc1N1CCC(N[C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000011662769 570577564 /nfs/dbraw/zinc/57/75/64/570577564.db2.gz XUBLWNHSGTYMON-SFHVURJKSA-N 0 3 390.531 4.509 50 0 GJAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1cccs1 ZINC000012020658 570598289 /nfs/dbraw/zinc/59/82/89/570598289.db2.gz VVRSCJWKAANTKD-KRWDZBQOSA-N 0 3 380.513 4.650 50 0 GJAAHN COc1ccc(/C=C/CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1 ZINC000012019881 570598356 /nfs/dbraw/zinc/59/83/56/570598356.db2.gz KETQGNPDHAUPMQ-YVRWJWEHSA-N 0 3 385.935 4.679 50 0 GJAAHN O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012054726 570602030 /nfs/dbraw/zinc/60/20/30/570602030.db2.gz BZGJGSXQZJKEPA-IBGZPJMESA-N 0 3 379.891 4.621 50 0 GJAAHN COC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000012058582 570603542 /nfs/dbraw/zinc/60/35/42/570603542.db2.gz JMDJFXSLFCGUSQ-UHFFFAOYSA-N 0 3 379.479 4.598 50 0 GJAAHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)c1 ZINC000043083339 570625432 /nfs/dbraw/zinc/62/54/32/570625432.db2.gz HLKOWYPBZNROHE-QGZVFWFLSA-N 0 3 383.442 4.743 50 0 GJAAHN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000012304035 570637587 /nfs/dbraw/zinc/63/75/87/570637587.db2.gz NGFMPSVTLHUQFG-HXUWFJFHSA-N 0 3 389.474 4.738 50 0 GJAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN4CCCCC4)cc(C)nc23)cc1 ZINC000033036910 570673126 /nfs/dbraw/zinc/67/31/26/570673126.db2.gz VVQITNPOHXPMMM-UHFFFAOYSA-N 0 3 387.527 4.734 50 0 GJAAHN COCCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C ZINC000012507330 570675431 /nfs/dbraw/zinc/67/54/31/570675431.db2.gz DKWRCOKZHSAJJA-UHFFFAOYSA-N 0 3 379.504 4.736 50 0 GJAAHN O=C(CC[C@@H]1CCCN(Cc2ccoc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012581457 570683831 /nfs/dbraw/zinc/68/38/31/570683831.db2.gz PTJYJRJFZLAYAG-HNNXBMFYSA-N 0 3 380.410 4.929 50 0 GJAAHN CCOC(=O)C1(CCOC)CCN(Cc2cccc3c4ccccc4oc32)CC1 ZINC000012587277 570685713 /nfs/dbraw/zinc/68/57/13/570685713.db2.gz BDAHMCSMFSRSNI-UHFFFAOYSA-N 0 3 395.499 4.768 50 0 GJAAHN O=C(NC[C@H]1CCCN(Cc2cccc(-c3ccco3)c2)C1)c1cccs1 ZINC000012716192 570704419 /nfs/dbraw/zinc/70/44/19/570704419.db2.gz JKJQLBPZYVXYLP-GOSISDBHSA-N 0 3 380.513 4.650 50 0 GJAAHN Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922839 570706883 /nfs/dbraw/zinc/70/68/83/570706883.db2.gz QKQZEKKTBGAMSI-FGCOXFRFSA-N 0 3 379.500 4.592 50 0 biogenic GJAAHN COC[C@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012837012 570723449 /nfs/dbraw/zinc/72/34/49/570723449.db2.gz CHPSXJUYWBSKJZ-IBGZPJMESA-N 0 3 393.506 4.845 50 0 GJAAHN CN(C)Cc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000052665901 570758581 /nfs/dbraw/zinc/75/85/81/570758581.db2.gz ZIMBATNQNRWKKB-UHFFFAOYSA-N 0 3 398.510 4.658 50 0 GJAAHN CCc1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1 ZINC000032733970 570788469 /nfs/dbraw/zinc/78/84/69/570788469.db2.gz YRKANCQSWZBDFF-GOSISDBHSA-N 0 3 383.294 4.728 50 0 GJAAHN O=C(CC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)NC1CC1 ZINC000015062913 570874829 /nfs/dbraw/zinc/87/48/29/570874829.db2.gz AXZCCONNMKCOFI-HXUWFJFHSA-N 0 3 392.543 4.536 50 0 GJAAHN CCN(CC)CCN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000004585302 570916856 /nfs/dbraw/zinc/91/68/56/570916856.db2.gz JMYULSXBORPAGU-UHFFFAOYSA-N 0 3 387.936 4.938 50 0 GJAAHN O=C(CCN1CCCCCC1)c1ccc(C(=O)CCN2CCCCCC2)cc1 ZINC000004844095 570932609 /nfs/dbraw/zinc/93/26/09/570932609.db2.gz ZBAWPXJEJJOENA-UHFFFAOYSA-N 0 3 384.564 4.584 50 0 GJAAHN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccc(Cl)c2)cc1 ZINC000046057574 571017659 /nfs/dbraw/zinc/01/76/59/571017659.db2.gz QBJQCXWCHKAODL-SFHVURJKSA-N 0 3 393.874 4.705 50 0 GJAAHN CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000014980674 210138988 /nfs/dbraw/zinc/13/89/88/210138988.db2.gz JPTNHYGOHHZOFL-OAQYLSRUSA-N 0 3 376.500 4.602 50 0 GJAAHN Cc1oc2cc(OCCN3CCC(C)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000006759870 209233127 /nfs/dbraw/zinc/23/31/27/209233127.db2.gz TVOBNHUCFROZPS-UHFFFAOYSA-N 0 3 377.484 4.879 50 0 biogenic GJAAHN C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2CC2CCCCC2)C1 ZINC000299779407 212035433 /nfs/dbraw/zinc/03/54/33/212035433.db2.gz VJVFFHHPHGBLEF-LQUDEKPSSA-N 0 3 380.576 4.983 50 0 GJAAHN COCCCN(Cc1cccn1Cc1ccccc1C)Cc1cccc(OC)c1 ZINC000004406033 204044494 /nfs/dbraw/zinc/04/44/94/204044494.db2.gz ILBKPNJYEHFJOP-UHFFFAOYSA-N 0 3 392.543 4.892 50 0 GJAAHN Cc1ccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)cc1 ZINC000005305983 204124753 /nfs/dbraw/zinc/12/47/53/204124753.db2.gz SYWCSBYJOLLEFC-UHFFFAOYSA-N 0 3 397.588 4.881 50 0 GJAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000006877678 204218298 /nfs/dbraw/zinc/21/82/98/204218298.db2.gz APBOSTQHOFDGRA-UHFFFAOYSA-N 0 3 387.474 4.792 50 0 GJAAHN CN(Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccc(-n2cccn2)cc1 ZINC000012302932 204391447 /nfs/dbraw/zinc/39/14/47/204391447.db2.gz JXCLMTCSJSSTAR-UHFFFAOYSA-N 0 3 383.455 4.641 50 0 GJAAHN CC(C)CCN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095554 205006393 /nfs/dbraw/zinc/00/63/93/205006393.db2.gz ICSHWENBMUIFEG-HXUWFJFHSA-N 0 3 379.903 4.767 50 0 GJAAHN CN(C)Cc1ccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000058223297 205170194 /nfs/dbraw/zinc/17/01/94/205170194.db2.gz WKSGCIZCBKIMQA-LSCLNCKRSA-N 0 3 396.534 4.775 50 0 GJAAHN c1nc(CCN2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cs1 ZINC000067756309 205258599 /nfs/dbraw/zinc/25/85/99/205258599.db2.gz GHZAXMBJFGADSV-UHFFFAOYSA-N 0 3 386.524 4.801 50 0 GJAAHN CCc1ncc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071738714 205286915 /nfs/dbraw/zinc/28/69/15/205286915.db2.gz QNLLHELYKPZGGF-INIZCTEOSA-N 0 3 377.454 4.903 50 0 GJAAHN Cc1ccc(-c2ncc(CN3CCC[C@H](c4nnc5ccccn54)C3)s2)cc1 ZINC000097032578 211357283 /nfs/dbraw/zinc/35/72/83/211357283.db2.gz LQDODGXWDUYLRB-SFHVURJKSA-N 0 3 389.528 4.541 50 0 GJAAHN Cc1ccc(-n2cc(CN3CCC(CCO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000072463151 211121431 /nfs/dbraw/zinc/12/14/31/211121431.db2.gz UUJVBINTWBUKFO-UHFFFAOYSA-N 0 3 389.543 4.751 50 0 GJAAHN COc1ccc(F)c(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000020138186 210317353 /nfs/dbraw/zinc/31/73/53/210317353.db2.gz WUCFNSJDWKSVDI-MRXNPFEDSA-N 0 3 383.442 4.743 50 0 GJAAHN CCN(CC)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000002024781 570272382 /nfs/dbraw/zinc/27/23/82/570272382.db2.gz XVPVASDNIQXXGZ-UHFFFAOYSA-N 0 3 378.516 4.805 50 0 biogenic GJAAHN CN(Cc1cccc(Cl)c1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941984 570315578 /nfs/dbraw/zinc/31/55/78/570315578.db2.gz NFEWQCPHDXDUGW-QFIPXVFZSA-N 0 3 381.903 4.879 50 0 GJAAHN CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 ZINC000003831042 570351211 /nfs/dbraw/zinc/35/12/11/570351211.db2.gz SLVMESMUVMCQIY-YHAMSUFESA-N 0 3 386.586 4.901 50 0 world GJAAHN Clc1ccccc1-c1ccc(CNCc2ccccc2CN2CCOCC2)o1 ZINC000023865491 570374097 /nfs/dbraw/zinc/37/40/97/570374097.db2.gz TXRWLYLQVRWBBZ-UHFFFAOYSA-N 0 3 396.918 4.722 50 0 GJAAHN C[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000024832329 570394938 /nfs/dbraw/zinc/39/49/38/570394938.db2.gz MLVVKUVGXHYURM-QGZVFWFLSA-N 0 3 388.467 4.561 50 0 GJAAHN CN(C)[C@@H](CNCc1c(OC(F)F)ccc2ccccc21)c1cccs1 ZINC000025355864 570411615 /nfs/dbraw/zinc/41/16/15/570411615.db2.gz KWFKVEJUGHVWIN-KRWDZBQOSA-N 0 3 376.472 4.895 50 0 GJAAHN COc1ccc([C@@H]2CN[C@@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 ZINC000025538860 570415671 /nfs/dbraw/zinc/41/56/71/570415671.db2.gz GRPYXJAAELENBN-NBGIEHNGSA-N 0 3 388.511 4.886 50 0 GJAAHN CCN(CC)CCN(C(=O)c1ccc(C)cc1)c1nc2ccc(C)cc2s1 ZINC000005121760 570421783 /nfs/dbraw/zinc/42/17/83/570421783.db2.gz PKRLDHXTKYVTOY-UHFFFAOYSA-N 0 3 381.545 4.902 50 0 GJAAHN CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000005121887 570421809 /nfs/dbraw/zinc/42/18/09/570421809.db2.gz KEIQEBVHKGIRRX-UHFFFAOYSA-N 0 3 393.965 5.000 50 0 GJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001792269 570424978 /nfs/dbraw/zinc/42/49/78/570424978.db2.gz GDSPDHMSSYFSGQ-UHFFFAOYSA-N 0 3 396.531 4.735 50 0 GJAAHN S=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000005060542 570427345 /nfs/dbraw/zinc/42/73/45/570427345.db2.gz VTSCIKMVAOYQJV-UHFFFAOYSA-N 0 3 394.371 4.944 50 0 GJAAHN O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662746 570438691 /nfs/dbraw/zinc/43/86/91/570438691.db2.gz FFZDOSOAGNJIII-SFHVURJKSA-N 0 3 376.953 4.678 50 0 GJAAHN CCN(CC)[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000028291913 570456397 /nfs/dbraw/zinc/45/63/97/570456397.db2.gz UFLQZNXYUGHCIO-JOCHJYFZSA-N 0 3 382.548 4.562 50 0 GJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028296181 570457541 /nfs/dbraw/zinc/45/75/41/570457541.db2.gz LVNQTQMMTAURPE-FQEVSTJZSA-N 0 3 395.890 4.562 50 0 GJAAHN Brc1ccc(-c2nnc3sc(CN4CCCCCC4)cn32)cc1 ZINC000002467057 570500951 /nfs/dbraw/zinc/50/09/51/570500951.db2.gz IDMFUMUUZOQVAG-UHFFFAOYSA-N 0 3 391.338 4.596 50 0 GJAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308217 570606173 /nfs/dbraw/zinc/60/61/73/570606173.db2.gz PQICALLGQACETR-HXUWFJFHSA-N 0 3 391.515 4.615 50 0 GJAAHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)c1 ZINC000043083336 570625712 /nfs/dbraw/zinc/62/57/12/570625712.db2.gz HLKOWYPBZNROHE-KRWDZBQOSA-N 0 3 383.442 4.743 50 0 GJAAHN COC1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 ZINC000012207406 570626550 /nfs/dbraw/zinc/62/65/50/570626550.db2.gz PVGLKSMOZUMSNS-UHFFFAOYSA-N 0 3 375.516 4.767 50 0 GJAAHN O=C(CC[C@@H]1CCCN(Cc2ccco2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012299142 570635166 /nfs/dbraw/zinc/63/51/66/570635166.db2.gz YQBLNIVTGJSNHP-HNNXBMFYSA-N 0 3 380.410 4.929 50 0 GJAAHN O=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(Cc2ccccc2)CC1 ZINC000033026955 570662263 /nfs/dbraw/zinc/66/22/63/570662263.db2.gz WENAKGCNZVRQJJ-UHFFFAOYSA-N 0 3 388.511 4.660 50 0 GJAAHN Fc1cccc(-c2n[nH]cc2CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1 ZINC000012437729 570662618 /nfs/dbraw/zinc/66/26/18/570662618.db2.gz AHEMQOAXEHTFCX-SFHVURJKSA-N 0 3 386.421 4.571 50 0 GJAAHN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000016042921 570686275 /nfs/dbraw/zinc/68/62/75/570686275.db2.gz XOZQFEQVRDICDF-QZHMZIBCSA-N 0 3 393.527 4.782 50 0 biogenic GJAAHN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000016042923 570686339 /nfs/dbraw/zinc/68/63/39/570686339.db2.gz XOZQFEQVRDICDF-FZSQWFJSSA-N 0 3 393.527 4.782 50 0 biogenic GJAAHN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1C ZINC000057314345 570701923 /nfs/dbraw/zinc/70/19/23/570701923.db2.gz STYHCIDSLFOGHM-UHFFFAOYSA-N 0 3 399.538 4.878 50 0 GJAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccoc2C)CC1 ZINC000012713681 570703844 /nfs/dbraw/zinc/70/38/44/570703844.db2.gz DMBDFAXUQOPZRV-UHFFFAOYSA-N 0 3 398.547 4.607 50 0 GJAAHN CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622633 570707122 /nfs/dbraw/zinc/70/71/22/570707122.db2.gz ZOAHOVUKAKWRON-GOSISDBHSA-N 0 3 397.544 4.733 50 0 GJAAHN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000012754620 570710221 /nfs/dbraw/zinc/71/02/21/570710221.db2.gz CGJMDQWDEZNYFH-JIWMQAFSSA-N 0 3 395.547 4.713 50 0 GJAAHN COc1ccc(NC(=O)c2ccc(CN(C)Cc3sccc3C)cc2)cc1 ZINC000058169734 570714772 /nfs/dbraw/zinc/71/47/72/570714772.db2.gz NKEFYOYEYCFIII-UHFFFAOYSA-N 0 3 380.513 4.949 50 0 GJAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004427547 570756985 /nfs/dbraw/zinc/75/69/85/570756985.db2.gz WPAGLAFGMDYHEH-QHCPKHFHSA-N 0 3 383.495 4.805 50 0 GJAAHN CCc1ccc([C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1 ZINC000032733972 570788383 /nfs/dbraw/zinc/78/83/83/570788383.db2.gz YRKANCQSWZBDFF-SFHVURJKSA-N 0 3 383.294 4.728 50 0 GJAAHN COc1ccc(F)c(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1 ZINC000014986010 570869579 /nfs/dbraw/zinc/86/95/79/570869579.db2.gz NWZSXSZTXQKWJY-SFHVURJKSA-N 0 3 379.479 4.912 50 0 GJAAHN CCCOc1c(Cl)cc(CN[C@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971443 570885166 /nfs/dbraw/zinc/88/51/66/570885166.db2.gz IGOKVFMKQPTQOL-LJQANCHMSA-N 0 3 376.928 4.530 50 0 GJAAHN Cc1ccc([C@@H]2CN(Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000248112869 570906010 /nfs/dbraw/zinc/90/60/10/570906010.db2.gz TZNFWXYOBBKSAO-UPVQGACJSA-N 0 3 396.575 4.944 50 0 GJAAHN Clc1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000016401632 570923998 /nfs/dbraw/zinc/92/39/98/570923998.db2.gz YCASSMIEQHTBBB-UHFFFAOYSA-N 0 3 381.859 4.938 50 0 GJAAHN CN1CCC[C@H](COC(=O)CCc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107137937 570971737 /nfs/dbraw/zinc/97/17/37/570971737.db2.gz XWSHGVUTEFJWQX-OXQOHEQNSA-N 0 3 395.421 4.857 50 0 GJAAHN CCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC ZINC000239297075 209214131 /nfs/dbraw/zinc/21/41/31/209214131.db2.gz DRYQTNXMKBICIH-LFOFZZIDSA-N 0 3 393.615 6.826 50 0 GJAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(C)O ZINC000239338857 209212927 /nfs/dbraw/zinc/21/29/27/209212927.db2.gz LIBIPIXHWFBTLG-FSTATDAESA-N 0 3 392.370 6.182 50 0 GJAAHN Cc1ccc2c(c1)cc(CN[C@H](Cc1ccccc1)c1ccccc1)c(=O)n2C ZINC000299800314 212041783 /nfs/dbraw/zinc/04/17/83/212041783.db2.gz WRJLQDNZBRAFTG-XMMPIXPASA-N 0 3 382.507 4.921 50 0 GJAAHN CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3cccs3)sc2c1 ZINC000004359456 204040545 /nfs/dbraw/zinc/04/05/45/204040545.db2.gz INKBUBBNJLVSKG-UHFFFAOYSA-N 0 3 387.574 4.909 50 0 GJAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000005019817 204103561 /nfs/dbraw/zinc/10/35/61/204103561.db2.gz CIYLVFZQOAPAHS-MRXNPFEDSA-N 0 3 396.314 4.850 50 0 GJAAHN Cc1ccc(CN(C(=O)NC2CCCC2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877656 204218552 /nfs/dbraw/zinc/21/85/52/204218552.db2.gz IADITGYPIGNPKK-UHFFFAOYSA-N 0 3 395.547 4.707 50 0 GJAAHN C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)Nc1ccccc1 ZINC000007547089 204242429 /nfs/dbraw/zinc/24/24/29/204242429.db2.gz SHJHTXDGQCTEGT-UZLBHIALSA-N 0 3 389.524 4.978 50 0 GJAAHN C[C@@H](CCN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000011913685 204361353 /nfs/dbraw/zinc/36/13/53/204361353.db2.gz UOKLAXQCSHMGJM-UQBPGWFLSA-N 0 3 388.511 4.552 50 0 GJAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@H]2CCOC2)c(C)s1 ZINC000012050398 204369258 /nfs/dbraw/zinc/36/92/58/204369258.db2.gz OJEVOHRVDYDNQU-KRWDZBQOSA-N 0 3 385.508 4.577 50 0 GJAAHN CC(C)(C)[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000032935944 204932009 /nfs/dbraw/zinc/93/20/09/204932009.db2.gz IGOMOKLNPXUBMS-QFIPXVFZSA-N 0 3 379.548 4.738 50 0 GJAAHN Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102528 205006750 /nfs/dbraw/zinc/00/67/50/205006750.db2.gz RMPQAPGSQUFSDW-QHCPKHFHSA-N 0 3 379.475 4.576 50 0 GJAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301568 205010303 /nfs/dbraw/zinc/01/03/03/205010303.db2.gz XBHMDFIMTGLSNX-FQEVSTJZSA-N 0 3 393.531 4.861 50 0 GJAAHN CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000037587672 205029660 /nfs/dbraw/zinc/02/96/60/205029660.db2.gz FLGMDWMDUFSVCC-UHFFFAOYSA-N 0 3 394.559 4.911 50 0 GJAAHN COc1ccc2cc(CN3CCC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072480911 205355108 /nfs/dbraw/zinc/35/51/08/205355108.db2.gz RFBWQOJUDIAMME-LJQANCHMSA-N 0 3 382.891 4.521 50 0 GJAAHN Cc1ccsc1CN1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000095373290 211228847 /nfs/dbraw/zinc/22/88/47/211228847.db2.gz QGZBERDYRMOFRB-UHFFFAOYSA-N 0 3 382.573 4.504 50 0 GJAAHN C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 ZINC000080345451 211157224 /nfs/dbraw/zinc/15/72/24/211157224.db2.gz CDIAHUNJUKBIIS-CYBMUJFWSA-N 0 3 381.303 4.858 50 0 GJAAHN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1 ZINC000019791471 210295864 /nfs/dbraw/zinc/29/58/64/210295864.db2.gz WTMWVGUPZHLANA-OAQYLSRUSA-N 0 3 390.483 4.816 50 0 GJAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1OC ZINC000003308096 220625379 /nfs/dbraw/zinc/62/53/79/220625379.db2.gz JJWCYTOCHBGYPX-UHFFFAOYSA-N 0 3 399.494 4.846 50 0 GJAAHN CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)CC1 ZINC000002886715 136193599 /nfs/dbraw/zinc/19/35/99/136193599.db2.gz JPUIGBUHDYGMAU-UHFFFAOYSA-N 0 3 387.314 4.746 50 0 GJAAHN Cc1ccc(-n2cc(CN(C)CCC(C)(C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000072474616 222264754 /nfs/dbraw/zinc/26/47/54/222264754.db2.gz QKXNEQXTDFJGJZ-UHFFFAOYSA-N 0 3 381.495 4.580 50 0 GJAAHN Fc1ccc([C@@H](OCCN2CCCC2)c2ccc(Br)cc2)cc1 ZINC000000702120 570218200 /nfs/dbraw/zinc/21/82/00/570218200.db2.gz HCENOERZKIRXPE-IBGZPJMESA-N 0 3 378.285 4.790 50 0 GJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ccccc2c1Cl ZINC000000752177 570221968 /nfs/dbraw/zinc/22/19/68/570221968.db2.gz PVRUCJGLKWLKFV-UHFFFAOYSA-N 0 3 384.932 4.949 50 0 GJAAHN COc1ccc(-c2nc(CN3CCCC[C@H]3CCn3ccnc3)c(C)o2)cc1C ZINC000020450579 570256970 /nfs/dbraw/zinc/25/69/70/570256970.db2.gz OPLANKBAPQZZIE-FQEVSTJZSA-N 0 3 394.519 4.608 50 0 GJAAHN CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 ZINC000020536092 570266339 /nfs/dbraw/zinc/26/63/39/570266339.db2.gz CTMZIJYDQLYSAO-XMMPIXPASA-N 0 3 383.495 4.909 50 0 GJAAHN c1ccc2c(c1)CCO[C@@H]2Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000115178788 570274559 /nfs/dbraw/zinc/27/45/59/570274559.db2.gz KZVCHRBFNKZRJF-JOCHJYFZSA-N 0 3 389.499 4.579 50 0 GJAAHN O=C1[C@H]([C@H]2NCCc3c4ccccc4[nH]c32)c2ccccc2N1c1ccccc1 ZINC000102198046 570348393 /nfs/dbraw/zinc/34/83/93/570348393.db2.gz FHGRMQONXLFYLC-LADGPHEKSA-N 0 3 379.463 4.817 50 0 GJAAHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 ZINC000006300086 570365281 /nfs/dbraw/zinc/36/52/81/570365281.db2.gz HHQJJPINVCIKAC-PZUNEJSGSA-N 0 3 395.543 4.881 50 0 biogenic GJAAHN Cc1cc(C(=O)NCCN2CCCCC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036785 570400190 /nfs/dbraw/zinc/40/01/90/570400190.db2.gz CWEKVSLMNMPHFJ-UHFFFAOYSA-N 0 3 391.490 4.565 50 0 GJAAHN c1cc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000025719022 570418464 /nfs/dbraw/zinc/41/84/64/570418464.db2.gz VPFQDXHNGXOSQX-UHFFFAOYSA-N 0 3 386.524 4.603 50 0 GJAAHN CCN(CC)CCN(C(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1 ZINC000005122151 570421691 /nfs/dbraw/zinc/42/16/91/570421691.db2.gz HTZHFXNBNCILDV-UHFFFAOYSA-N 0 3 381.545 4.902 50 0 GJAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C ZINC000005019851 570424333 /nfs/dbraw/zinc/42/43/33/570424333.db2.gz YXQLDWJERDLDBC-UHFFFAOYSA-N 0 3 391.467 4.601 50 0 GJAAHN Brc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222575 570432478 /nfs/dbraw/zinc/43/24/78/570432478.db2.gz UYISDQCEYGVSMC-HXUWFJFHSA-N 0 3 396.332 4.861 50 0 GJAAHN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027581787 570436536 /nfs/dbraw/zinc/43/65/36/570436536.db2.gz LUOPJQHPVVHTLK-JOCHJYFZSA-N 0 3 380.532 4.741 50 0 GJAAHN CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027749496 570442248 /nfs/dbraw/zinc/44/22/48/570442248.db2.gz GEQRJRKXHIPLEE-QHCPKHFHSA-N 0 3 380.532 4.741 50 0 GJAAHN CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 ZINC000028289323 570455563 /nfs/dbraw/zinc/45/55/63/570455563.db2.gz NFAPWBGXKCHRJE-HSZRJFAPSA-N 0 3 396.575 4.905 50 0 GJAAHN Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1 ZINC000028292444 570456605 /nfs/dbraw/zinc/45/66/05/570456605.db2.gz JGSSTABFCAPNDO-DEOSSOPVSA-N 0 3 394.559 4.841 50 0 GJAAHN CC(C)CCN(Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031079 570517494 /nfs/dbraw/zinc/51/74/94/570517494.db2.gz CTMUPZCITTVMFQ-LJQANCHMSA-N 0 3 379.903 4.767 50 0 GJAAHN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012054723 570602195 /nfs/dbraw/zinc/60/21/95/570602195.db2.gz BZGJGSXQZJKEPA-LJQANCHMSA-N 0 3 379.891 4.621 50 0 GJAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)cc1 ZINC000012073983 570604553 /nfs/dbraw/zinc/60/45/53/570604553.db2.gz DHILJFHDRJSJFX-QHCPKHFHSA-N 0 3 382.573 5.000 50 0 GJAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)Nc1ccc(F)c(Cl)c1 ZINC000006819348 570621531 /nfs/dbraw/zinc/62/15/31/570621531.db2.gz HGBDQMVPLSVOPA-UHFFFAOYSA-N 0 3 393.865 4.652 50 0 GJAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1O ZINC000042915202 570624095 /nfs/dbraw/zinc/62/40/95/570624095.db2.gz JAXFDTUPZMGGSH-KRWDZBQOSA-N 0 3 397.906 4.824 50 0 GJAAHN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCN(C2CCCC2)CC1 ZINC000012300070 570635815 /nfs/dbraw/zinc/63/58/15/570635815.db2.gz ODMGXFKBZWELFQ-UHFFFAOYSA-N 0 3 395.547 4.966 50 0 GJAAHN Cc1cc2c(cc1CN[C@@H]1CC(C)(C)Cc3nc(C(C)(C)C)ncc31)OCO2 ZINC000012302771 570637070 /nfs/dbraw/zinc/63/70/70/570637070.db2.gz GMAQRFGVNXVNRB-QGZVFWFLSA-N 0 3 381.520 4.615 50 0 GJAAHN Cc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)n[nH]1 ZINC000012315921 570641134 /nfs/dbraw/zinc/64/11/34/570641134.db2.gz LMCYEGSOYNQVMV-OAQYLSRUSA-N 0 3 388.515 4.544 50 0 GJAAHN Cc1cccc(CN2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC000012387806 570652301 /nfs/dbraw/zinc/65/23/01/570652301.db2.gz YCCMAICKBXQJEK-OAQYLSRUSA-N 0 3 399.538 4.699 50 0 GJAAHN O=C(NC[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)c1cccs1 ZINC000012442560 570665163 /nfs/dbraw/zinc/66/51/63/570665163.db2.gz QJEWDVFNQUEAJK-LJQANCHMSA-N 0 3 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/nfs/dbraw/zinc/92/76/45/570927645.db2.gz QZYSXKPKTXYODP-TUSQITKMSA-N 0 3 395.543 4.881 50 0 biogenic GJAAHN Cc1ncsc1C(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107149350 570971138 /nfs/dbraw/zinc/97/11/38/570971138.db2.gz IOQIRLHHICHWAN-ZBFHGGJFSA-N 0 3 398.450 4.710 50 0 GJAAHN CCCc1ccc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)o1 ZINC000091908094 571035559 /nfs/dbraw/zinc/03/55/59/571035559.db2.gz DXWUUGIKDDWZLF-UHFFFAOYSA-N 0 3 380.532 4.637 50 0 GJAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000015679742 571044550 /nfs/dbraw/zinc/04/45/50/571044550.db2.gz XVDPIFXVHGRHDG-UHFFFAOYSA-N 0 3 377.941 4.920 50 0 GJAAHN Cc1cccc(CN2CCC[C@]3(CCN(c4nc(-c5ccccc5)no4)C3)C2)c1 ZINC000426486014 231227826 /nfs/dbraw/zinc/22/78/26/231227826.db2.gz SXOMMIYHCNSKSR-DEOSSOPVSA-N 0 3 388.515 4.538 50 0 GJAAHN OCC1(CCOc2ccccc2)CCN(Cc2cc3ccccc3s2)CC1 ZINC000014952209 210130923 /nfs/dbraw/zinc/13/09/23/210130923.db2.gz YOYAFIBZEXDMMI-UHFFFAOYSA-N 0 3 381.541 4.945 50 0 GJAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000013320552 210056869 /nfs/dbraw/zinc/05/68/69/210056869.db2.gz ZPTHFIMGEHGQHU-UHFFFAOYSA-N 0 3 389.849 4.841 50 0 GJAAHN COc1ccc2cc(CN(C)CCC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000012928710 210032515 /nfs/dbraw/zinc/03/25/15/210032515.db2.gz YKABCQUVMXIYOJ-UHFFFAOYSA-N 0 3 390.483 4.512 50 0 GJAAHN Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012822495 210017401 /nfs/dbraw/zinc/01/74/01/210017401.db2.gz XJOCXWQHHSITRX-UHFFFAOYSA-N 0 3 391.540 4.513 50 0 GJAAHN CCc1cccc(CN2CCC(CNC(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000001071059 209296876 /nfs/dbraw/zinc/29/68/76/209296876.db2.gz MKABATOCCJPXFR-UHFFFAOYSA-N 0 3 385.939 4.936 50 0 GJAAHN CCc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)cc1 ZINC000003662418 204018621 /nfs/dbraw/zinc/01/86/21/204018621.db2.gz KAOVWYIVZZLSFS-UHFFFAOYSA-N 0 3 385.577 4.917 50 0 GJAAHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000005019815 204103449 /nfs/dbraw/zinc/10/34/49/204103449.db2.gz CIYLVFZQOAPAHS-INIZCTEOSA-N 0 3 396.314 4.850 50 0 GJAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCN(C)C)c2Sc1ccc(Cl)cc1 ZINC000006798812 204206824 /nfs/dbraw/zinc/20/68/24/204206824.db2.gz JHTMITQTMAHKGW-UHFFFAOYSA-N 0 3 387.936 4.572 50 0 GJAAHN c1csc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(c2)OCO3)c1 ZINC000008428747 204276263 /nfs/dbraw/zinc/27/62/63/204276263.db2.gz CUEJHSUGJZRKQL-UHFFFAOYSA-N 0 3 389.480 4.619 50 0 GJAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1Cl ZINC000010281487 204333317 /nfs/dbraw/zinc/33/33/17/204333317.db2.gz JQRAMCOWYHCNNV-UHFFFAOYSA-N 0 3 377.315 4.909 50 0 GJAAHN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C2CCCCC2)C3)c1OC ZINC000012218604 204383377 /nfs/dbraw/zinc/38/33/77/204383377.db2.gz BCSNLLJHYUBSCM-UHFFFAOYSA-N 0 3 397.515 4.907 50 0 GJAAHN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000012300520 204391999 /nfs/dbraw/zinc/39/19/99/204391999.db2.gz VTGKECSOVZGDFJ-FQEVSTJZSA-N 0 3 389.474 4.738 50 0 GJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)s1 ZINC000036101521 205005748 /nfs/dbraw/zinc/00/57/48/205005748.db2.gz NQJQYYASDSNQNU-JOCHJYFZSA-N 0 3 399.531 4.776 50 0 GJAAHN CN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000036345215 205011377 /nfs/dbraw/zinc/01/13/77/205011377.db2.gz KAQYHSXJNPOXRW-QHCPKHFHSA-N 0 3 393.506 4.768 50 0 GJAAHN C[C@@H](NCc1ccc(F)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925478 206055773 /nfs/dbraw/zinc/05/57/73/206055773.db2.gz GXWCHGSWUPNBSM-GFCCVEGCSA-N 0 3 391.284 4.788 50 0 GJAAHN c1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)onc1-c1ccncc1 ZINC000252479781 206138068 /nfs/dbraw/zinc/13/80/68/206138068.db2.gz BMVAVMFIFSILOH-INIZCTEOSA-N 0 3 376.485 4.726 50 0 GJAAHN COc1ccc2cc(CN3CCC[C@@H](OC)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072408576 211114432 /nfs/dbraw/zinc/11/44/32/211114432.db2.gz XPLSHYBTFIYQQQ-JOCHJYFZSA-N 0 3 376.500 4.830 50 0 GJAAHN CCNc1ncc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071753415 211055032 /nfs/dbraw/zinc/05/50/32/211055032.db2.gz KKUGLTANKPNSLD-MRXNPFEDSA-N 0 3 392.469 4.772 50 0 GJAAHN CCOc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019842307 210302645 /nfs/dbraw/zinc/30/26/45/210302645.db2.gz KXBDLQBPAJIYRQ-UHFFFAOYSA-N 0 3 378.560 4.929 50 0 GJAAHN OCC1(Cc2ccccc2Cl)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000019720603 210289381 /nfs/dbraw/zinc/28/93/81/210289381.db2.gz KEVSWURNADSSLP-UHFFFAOYSA-N 0 3 395.934 4.547 50 0 GJAAHN C[C@@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000012363299 221185617 /nfs/dbraw/zinc/18/56/17/221185617.db2.gz LMMVZOBRCFQJEF-BGYRXZFFSA-N 0 3 380.532 4.553 50 0 GJAAHN c1cc([C@H]2CCCCO2)oc1CN1CCCC12CCN(c1ccccn1)CC2 ZINC000072421293 136169816 /nfs/dbraw/zinc/16/98/16/136169816.db2.gz JIPAPGYFJHAABU-HXUWFJFHSA-N 0 3 381.520 4.551 50 0 GJAAHN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnccc1N1CCCCC1 ZINC000095958972 136182840 /nfs/dbraw/zinc/18/28/40/136182840.db2.gz GOSFNDVZUSBKLU-UHFFFAOYSA-N 0 3 396.878 4.562 50 0 GJAAHN CCCOc1c(Cl)cc(CN[C@H](Cn2ccnc2)C(C)(C)C)cc1OC ZINC000048302023 570234546 /nfs/dbraw/zinc/23/45/46/570234546.db2.gz XDMJCQUSFAXGAS-GOSISDBHSA-N 0 3 379.932 4.538 50 0 GJAAHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000247767375 570240403 /nfs/dbraw/zinc/24/04/03/570240403.db2.gz LTOCOLQZXWTUBC-BJLQDIEVSA-N 0 3 397.588 4.657 50 0 GJAAHN O=C(Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1)OCc1ccccc1 ZINC000006104699 570244833 /nfs/dbraw/zinc/24/48/33/570244833.db2.gz IHWPHYKTTZHFDS-JJIBRWJFSA-N 0 3 380.447 4.705 50 0 GJAAHN COc1ccc2cc(CNCc3ccc(NC(=O)NC(C)C)cc3)ccc2c1 ZINC000048784848 570254558 /nfs/dbraw/zinc/25/45/58/570254558.db2.gz YICNRYFNBSIYTM-UHFFFAOYSA-N 0 3 377.488 4.668 50 0 GJAAHN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000034683455 570301022 /nfs/dbraw/zinc/30/10/22/570301022.db2.gz PQLDBBTYHPHBSK-UHFFFAOYSA-N 0 3 380.532 4.720 50 0 GJAAHN O[C@H](CN1CC=C(/C=C/c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000004006883 570354229 /nfs/dbraw/zinc/35/42/29/570354229.db2.gz VABIWRWPHBKECP-IRUYWQDXSA-N 0 3 384.317 4.828 50 0 GJAAHN Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023741970 570371174 /nfs/dbraw/zinc/37/11/74/570371174.db2.gz BYSAWDYTUOFHEU-JOCHJYFZSA-N 0 3 393.918 4.764 50 0 GJAAHN CCCC1=Nc2cc(C(=O)NCCN3CCCC3)ccc2Sc2ccccc21 ZINC000004929716 570371639 /nfs/dbraw/zinc/37/16/39/570371639.db2.gz QUBAIOJUNIQVFH-UHFFFAOYSA-N 0 3 393.556 4.898 50 0 GJAAHN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)cc1 ZINC000004424434 570374776 /nfs/dbraw/zinc/37/47/76/570374776.db2.gz KMSWJWMJGPNOEF-HXUWFJFHSA-N 0 3 381.907 4.614 50 0 GJAAHN CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027584106 570436770 /nfs/dbraw/zinc/43/67/70/570436770.db2.gz UGAAWPUMYWHSBL-QFIPXVFZSA-N 0 3 380.532 4.741 50 0 GJAAHN CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)c1 ZINC000027584096 570436858 /nfs/dbraw/zinc/43/68/58/570436858.db2.gz XQIKDEKJJTVCNR-QHCPKHFHSA-N 0 3 380.532 4.741 50 0 GJAAHN CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027741470 570440836 /nfs/dbraw/zinc/44/08/36/570440836.db2.gz ZJBMZEKWEGNRKM-FQEVSTJZSA-N 0 3 386.561 4.884 50 0 GJAAHN CC(C)(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCC2)cc1 ZINC000028293424 570457127 /nfs/dbraw/zinc/45/71/27/570457127.db2.gz LUCCXSXOFBQMNW-QHCPKHFHSA-N 0 3 394.559 4.706 50 0 GJAAHN CCC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000028919629 570466275 /nfs/dbraw/zinc/46/62/75/570466275.db2.gz DRHLEGUHSPKJRN-JTSKRJEESA-N 0 3 377.484 4.523 50 0 GJAAHN CC(=O)CCc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624526 570508809 /nfs/dbraw/zinc/50/88/09/570508809.db2.gz ZDJWZOVLYUADGD-DEOSSOPVSA-N 0 3 380.532 4.989 50 0 biogenic GJAAHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000000758024 570533659 /nfs/dbraw/zinc/53/36/59/570533659.db2.gz QCDANHKJUPAPSY-QHCPKHFHSA-N 0 3 381.560 4.813 50 0 GJAAHN CC[C@@H]1CCCCN1CCNC(=O)c1sc2ccc(Cl)cc2c1OC ZINC000064756691 570535025 /nfs/dbraw/zinc/53/50/25/570535025.db2.gz FEUAXGCXCZPWJU-CQSZACIVSA-N 0 3 380.941 4.558 50 0 GJAAHN O=C(CCC1CCN(Cc2cc3ccccc3o2)CC1)NCc1ccc(F)cc1 ZINC000011817277 570584255 /nfs/dbraw/zinc/58/42/55/570584255.db2.gz SSIFFMHVZNPIMJ-UHFFFAOYSA-N 0 3 394.490 4.881 50 0 GJAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905278 570591777 /nfs/dbraw/zinc/59/17/77/570591777.db2.gz VXTXYAHRRBHYNA-LJQANCHMSA-N 0 3 395.528 4.750 50 0 GJAAHN Cc1ccc(-c2n[nH]cc2CN2CCC([C@H](O)Cc3ccccc3)CC2)cc1C ZINC000011936430 570594120 /nfs/dbraw/zinc/59/41/20/570594120.db2.gz RMJSOIZIGRONFV-XMMPIXPASA-N 0 3 389.543 4.509 50 0 GJAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308215 570606089 /nfs/dbraw/zinc/60/60/89/570606089.db2.gz PQICALLGQACETR-FQEVSTJZSA-N 0 3 391.515 4.615 50 0 GJAAHN CCn1nc(C)c(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1C ZINC000042451713 570619544 /nfs/dbraw/zinc/61/95/44/570619544.db2.gz QHNXDUIZOIXQEO-SFHVURJKSA-N 0 3 397.954 4.943 50 0 GJAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5ncccc5c4)C3)C2)c1 ZINC000012318470 570642472 /nfs/dbraw/zinc/64/24/72/570642472.db2.gz DYXJUIITGULTHR-SANMLTNESA-N 0 3 399.538 4.672 50 0 GJAAHN CCN1CCC(N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000012594967 570688553 /nfs/dbraw/zinc/68/85/53/570688553.db2.gz IECXDKITLCGBEI-OAQYLSRUSA-N 0 3 392.543 4.858 50 0 GJAAHN O=C(CN(CCc1ccccc1)C1CCCC1)Nc1ccccc1OC(F)F ZINC000058297568 570725501 /nfs/dbraw/zinc/72/55/01/570725501.db2.gz CFHGARQNIWIJNQ-UHFFFAOYSA-N 0 3 388.458 4.714 50 0 GJAAHN c1c(CNCc2ccc3c(c2)OCO3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000014253265 570838847 /nfs/dbraw/zinc/83/88/47/570838847.db2.gz YUGSVHVQWZIHPG-UHFFFAOYSA-N 0 3 383.451 4.558 50 0 GJAAHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H]1CCO[C@H](C)C1)CC2 ZINC000170592986 570851816 /nfs/dbraw/zinc/85/18/16/570851816.db2.gz VIBMWMUNMXVJMU-XCGNWRKASA-N 0 3 387.545 4.528 50 0 GJAAHN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1 ZINC000014961521 570866713 /nfs/dbraw/zinc/86/67/13/570866713.db2.gz LADTWMZCPNUIHS-OAQYLSRUSA-N 0 3 389.499 4.660 50 0 GJAAHN CCn1cc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(C)n1 ZINC000014990834 570870411 /nfs/dbraw/zinc/87/04/11/570870411.db2.gz OSEJPZYMTUIEGG-KRWDZBQOSA-N 0 3 383.927 4.635 50 0 GJAAHN COc1ccc(-c2nc(CN3CCCC[C@H]3CCO)c(C)o2)c2ccccc12 ZINC000015061957 570874818 /nfs/dbraw/zinc/87/48/18/570874818.db2.gz ZPZGDAJNMUKMKH-KRWDZBQOSA-N 0 3 380.488 4.549 50 0 GJAAHN CC(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000015657952 570901109 /nfs/dbraw/zinc/90/11/09/570901109.db2.gz YCAFYAXTBRTWBC-UHFFFAOYSA-N 0 3 387.527 4.753 50 0 GJAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2ccco2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105051269 570913773 /nfs/dbraw/zinc/91/37/73/570913773.db2.gz NGBKUSFYRHTSBD-KNQAVFIVSA-N 0 3 386.511 4.527 50 0 GJAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000016622810 570928898 /nfs/dbraw/zinc/92/88/98/570928898.db2.gz XOLHSYLFLGPSML-UHFFFAOYSA-N 0 3 375.875 4.513 50 0 GJAAHN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1F ZINC000170677505 571009112 /nfs/dbraw/zinc/00/91/12/571009112.db2.gz JKHNPOCRGMJTPD-GOSISDBHSA-N 0 3 394.446 4.616 50 0 GJAAHN Cc1nn(-c2ccc(C)cc2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056505 571016426 /nfs/dbraw/zinc/01/64/26/571016426.db2.gz YGNZURQSHJYUST-OAQYLSRUSA-N 0 3 395.462 4.951 50 0 GJAAHN C[C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC1CCCCC1 ZINC000019623551 571021613 /nfs/dbraw/zinc/02/16/13/571021613.db2.gz GZMRUUMQVPJDPX-GCJKJVERSA-N 0 3 389.543 4.727 50 0 GJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000012785232 571038276 /nfs/dbraw/zinc/03/82/76/571038276.db2.gz XQIDXXCNFFCCEN-DEOSSOPVSA-N 0 3 384.523 4.772 50 0 GJAAHN CCCc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@H]3c3cccnc3)cc2)n1 ZINC000019535890 210260006 /nfs/dbraw/zinc/26/00/06/210260006.db2.gz MTXPWFYJEUHMCR-QFIPXVFZSA-N 0 3 388.515 4.512 50 0 GJAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)cc1 ZINC000014976493 210138958 /nfs/dbraw/zinc/13/89/58/210138958.db2.gz LGMDLPICCSQDAC-QHCPKHFHSA-N 0 3 382.573 5.000 50 0 GJAAHN Cc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3cccc(C)c3)n2)cc1 ZINC000013636833 210073617 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O[C@H](CNCc1ccco1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004190383 570362293 /nfs/dbraw/zinc/36/22/93/570362293.db2.gz MYFKSKBVPJLTID-OAHLLOKOSA-N 0 3 389.282 4.845 50 0 GJAAHN Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)c1 ZINC000004979958 570388571 /nfs/dbraw/zinc/38/85/71/570388571.db2.gz CHZRUARDNGCBKD-UWJYYQICSA-N 0 3 388.602 4.799 50 0 GJAAHN C[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000024832332 570394974 /nfs/dbraw/zinc/39/49/74/570394974.db2.gz MLVVKUVGXHYURM-KRWDZBQOSA-N 0 3 388.467 4.561 50 0 GJAAHN CC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000239339090 570429541 /nfs/dbraw/zinc/42/95/41/570429541.db2.gz LRKCWFYHHUSIOT-KGCBQIOCSA-N 0 3 378.343 5.792 50 0 GJAAHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027584495 570436787 /nfs/dbraw/zinc/43/67/87/570436787.db2.gz WTFGWQDIFHOEJO-QHCPKHFHSA-N 0 3 380.532 4.741 50 0 GJAAHN Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 ZINC000027741393 570440738 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Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1 ZINC000036103961 570540965 /nfs/dbraw/zinc/54/09/65/570540965.db2.gz RMICWCMZWZBILZ-QHCPKHFHSA-N 0 3 397.490 4.615 50 0 GJAAHN CC1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 ZINC000011905307 570591874 /nfs/dbraw/zinc/59/18/74/570591874.db2.gz SSFVIQJGNHYIKZ-JOCHJYFZSA-N 0 3 389.499 4.545 50 0 GJAAHN Cc1ccc(-n2c(SCCN3CCCC3)nnc2-c2ccccc2)cc1C ZINC000002639001 570592311 /nfs/dbraw/zinc/59/23/11/570592311.db2.gz RVDIISNDHDVOHE-UHFFFAOYSA-N 0 3 378.545 4.739 50 0 GJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000036307201 570604291 /nfs/dbraw/zinc/60/42/91/570604291.db2.gz HDYFIRCKAWFCNT-QGZVFWFLSA-N 0 3 397.494 4.611 50 0 GJAAHN CCc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 ZINC000012090788 570607259 /nfs/dbraw/zinc/60/72/59/570607259.db2.gz POUWBKGQDDTEDM-KRWDZBQOSA-N 0 3 395.528 4.816 50 0 GJAAHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043056862 570624845 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ZINC000019822896 210300264 /nfs/dbraw/zinc/30/02/64/210300264.db2.gz GTQNLNWIBLECBQ-UHFFFAOYSA-N 0 3 390.914 4.828 50 0 GJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC2CCCC2)c(OC)c1 ZINC000019874269 210303986 /nfs/dbraw/zinc/30/39/86/210303986.db2.gz ASXPGUFNHADHRD-QHCPKHFHSA-N 0 3 392.499 4.742 50 0 GJAAHN C[C@@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC1CCCCC1 ZINC000019623555 210275545 /nfs/dbraw/zinc/27/55/45/210275545.db2.gz GZMRUUMQVPJDPX-XMSQKQJNSA-N 0 3 389.543 4.727 50 0 GJAAHN C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2ccnc2)cc1 ZINC000007985300 221019084 /nfs/dbraw/zinc/01/90/84/221019084.db2.gz QXLKZGAUXWVSTB-OAHLLOKOSA-N 0 3 383.879 4.538 50 0 GJAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000096166751 537065428 /nfs/dbraw/zinc/06/54/28/537065428.db2.gz OBYMIQHHKDVVHJ-UHFFFAOYSA-N 0 3 387.483 4.612 50 0 GJAAHN Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000020201831 570247772 /nfs/dbraw/zinc/24/77/72/570247772.db2.gz VOMPXUKUNDBHJG-HXUWFJFHSA-N 0 3 389.499 4.536 50 0 GJAAHN CCN1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@H]1c1ccccc1 ZINC000034667410 570292712 /nfs/dbraw/zinc/29/27/12/570292712.db2.gz OCRIFFKJAWTRHU-RUZDIDTESA-N 0 3 386.495 4.672 50 0 GJAAHN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)ccc1O ZINC000006922837 570298226 /nfs/dbraw/zinc/29/82/26/570298226.db2.gz ZPRXFOYSQXJVFF-FGCOXFRFSA-N 0 3 381.516 4.578 50 0 biogenic GJAAHN C[C@@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023283190 570353804 /nfs/dbraw/zinc/35/38/04/570353804.db2.gz QJGIXBOFVQTVOA-INIZCTEOSA-N 0 3 378.438 4.554 50 0 GJAAHN C[C@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023283191 570353824 /nfs/dbraw/zinc/35/38/24/570353824.db2.gz QJGIXBOFVQTVOA-MRXNPFEDSA-N 0 3 378.438 4.554 50 0 GJAAHN Cc1ccc2cc3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)oc3nc2c1 ZINC000004906944 570362821 /nfs/dbraw/zinc/36/28/21/570362821.db2.gz YXXMXDVYAXXWQY-UHFFFAOYSA-N 0 3 399.494 4.684 50 0 GJAAHN O=c1cc(C2CC[NH+](Cc3cccc4c5ccccc5sc43)CC2)nc[n-]1 ZINC000023542464 570364811 /nfs/dbraw/zinc/36/48/11/570364811.db2.gz JHMUUAZZPWQOCB-UHFFFAOYSA-N 0 3 375.497 4.517 50 0 GJAAHN Cc1ccn2c(=O)cc(CN(Cc3ccc(C(C)C)cc3)CC(C)C)nc2c1 ZINC000035502652 570377458 /nfs/dbraw/zinc/37/74/58/570377458.db2.gz KNTPDLBRUGTVED-UHFFFAOYSA-N 0 3 377.532 4.785 50 0 GJAAHN Cc1csc2nc(CN(Cc3ccc(C(C)C)cc3)CC(C)C)cc(=O)n12 ZINC000033268855 570404170 /nfs/dbraw/zinc/40/41/70/570404170.db2.gz LTNFBKCDCIXDHQ-UHFFFAOYSA-N 0 3 383.561 4.846 50 0 GJAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000027581827 570436597 /nfs/dbraw/zinc/43/65/97/570436597.db2.gz FIGQDZYDADDYHP-DEOSSOPVSA-N 0 3 394.559 4.841 50 0 GJAAHN Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCCCC2)cc1 ZINC000027582064 570436931 /nfs/dbraw/zinc/43/69/31/570436931.db2.gz ANTSNYHZPHYYIZ-QFIPXVFZSA-N 0 3 384.951 4.924 50 0 GJAAHN O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662744 570438756 /nfs/dbraw/zinc/43/87/56/570438756.db2.gz FFZDOSOAGNJIII-GOSISDBHSA-N 0 3 376.953 4.678 50 0 GJAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(C)c1 ZINC000011874322 570442372 /nfs/dbraw/zinc/44/23/72/570442372.db2.gz ZZUMPYMBUMZBOR-LJQANCHMSA-N 0 3 384.520 4.844 50 0 GJAAHN CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000027794370 570443119 /nfs/dbraw/zinc/44/31/19/570443119.db2.gz UTSDSXANRHMFTO-QHCPKHFHSA-N 0 3 380.532 4.741 50 0 GJAAHN C[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(-n2ccnc2)cc1 ZINC000030544910 570490728 /nfs/dbraw/zinc/49/07/28/570490728.db2.gz XRQJBRYJYPLMMO-IBGZPJMESA-N 0 3 384.483 4.697 50 0 GJAAHN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035287449 570551191 /nfs/dbraw/zinc/55/11/91/570551191.db2.gz YVSJDIDTUPXEER-VQTJNVASSA-N 0 3 386.923 4.833 50 0 GJAAHN COc1cccc(NC(=O)CCC2CCN(C/C(C)=C/c3ccco3)CC2)c1 ZINC000011873499 570589339 /nfs/dbraw/zinc/58/93/39/570589339.db2.gz OJNYFVYFHDMTCS-OBGWFSINSA-N 0 3 382.504 4.822 50 0 GJAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1ccc(C(F)(F)F)cc1 ZINC000011880716 570591847 /nfs/dbraw/zinc/59/18/47/570591847.db2.gz HAESREXGKIHRHP-SFHVURJKSA-N 0 3 394.412 4.515 50 0 GJAAHN Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc1C ZINC000011936429 570593989 /nfs/dbraw/zinc/59/39/89/570593989.db2.gz RMJSOIZIGRONFV-DEOSSOPVSA-N 0 3 389.543 4.509 50 0 GJAAHN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000012300519 570635839 /nfs/dbraw/zinc/63/58/39/570635839.db2.gz VTGKECSOVZGDFJ-HXUWFJFHSA-N 0 3 389.474 4.738 50 0 GJAAHN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2 ZINC000044855220 570636561 /nfs/dbraw/zinc/63/65/61/570636561.db2.gz WHYIGYGHYHAOQG-QFIPXVFZSA-N 0 3 392.543 4.626 50 0 GJAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 ZINC000012708966 570701497 /nfs/dbraw/zinc/70/14/97/570701497.db2.gz CXTNGAFCSFIWBE-HSZRJFAPSA-N 0 3 398.591 4.689 50 0 GJAAHN CCC[C@H](C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000012975575 570734505 /nfs/dbraw/zinc/73/45/05/570734505.db2.gz FKNMFPVHZUQTFR-RBBKRZOGSA-N 0 3 392.543 4.675 50 0 GJAAHN Cc1ccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)s1 ZINC000015067973 570876321 /nfs/dbraw/zinc/87/63/21/570876321.db2.gz KJXGGYSDKSPOIX-SFHVURJKSA-N 0 3 398.601 4.857 50 0 GJAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)Nc1ccccc1 ZINC000007547088 570878784 /nfs/dbraw/zinc/87/87/84/570878784.db2.gz SHJHTXDGQCTEGT-JXFKEZNVSA-N 0 3 389.524 4.978 50 0 GJAAHN C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 ZINC000097143463 570899262 /nfs/dbraw/zinc/89/92/62/570899262.db2.gz LUBZERGYXDEYDJ-HTAPYJJXSA-N 0 3 396.531 4.832 50 0 GJAAHN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C1CCCCC1 ZINC000016334371 570922484 /nfs/dbraw/zinc/92/24/84/570922484.db2.gz DFZMYKWWPPKYMT-QGZVFWFLSA-N 0 3 387.574 4.752 50 0 GJAAHN C[C@@H]1CN(c2ccccc2CN2CCCCC[C@H]2c2ccncc2)C[C@@H](C)O1 ZINC000252477747 570966228 /nfs/dbraw/zinc/96/62/28/570966228.db2.gz VAJSQJIBUOOABE-VIZSFHNOSA-N 0 3 379.548 4.813 50 0 GJAAHN COc1ccc(C(=O)Nc2cc(CN3CCCC3)ccc2C)c(OC(C)C)c1 ZINC000252501051 570977457 /nfs/dbraw/zinc/97/74/57/570977457.db2.gz UBWZLRJGXQABAA-UHFFFAOYSA-N 0 3 382.504 4.639 50 0 GJAAHN CC(C)CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000785872 206319975 /nfs/dbraw/zinc/31/99/75/206319975.db2.gz YTBVBKJJZHNJFF-UHFFFAOYSA-N 0 3 394.559 4.640 50 0 GJAAHN Cc1ccsc1CN1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014965918 207035790 /nfs/dbraw/zinc/03/57/90/207035790.db2.gz WEQRKCIOHYFXPP-GOSISDBHSA-N 0 3 398.601 4.857 50 0 GJAAHN Cc1cccc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1 ZINC000015065119 207042556 /nfs/dbraw/zinc/04/25/56/207042556.db2.gz QPAQODAQVGFXSC-HXUWFJFHSA-N 0 3 396.962 4.708 50 0 GJAAHN COc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000017311916 207087784 /nfs/dbraw/zinc/08/77/84/207087784.db2.gz SEWKNFJXBWPNQA-UHFFFAOYSA-N 0 3 389.524 4.958 50 0 GJAAHN c1ccc(OCCN(CCOc2ccccc2)CCOc2ccccc2)cc1 ZINC000019865757 207168214 /nfs/dbraw/zinc/16/82/14/207168214.db2.gz UXRIKOVSVCYPGQ-UHFFFAOYSA-N 0 3 377.484 4.525 50 0 GJAAHN CCOc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019794531 207163080 /nfs/dbraw/zinc/16/30/80/207163080.db2.gz JXVZUBYPGJNNGL-UHFFFAOYSA-N 0 3 386.495 4.896 50 0 GJAAHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000025946749 207307195 /nfs/dbraw/zinc/30/71/95/207307195.db2.gz CDCQJLXPVJDJGZ-UHFFFAOYSA-N 0 3 386.495 4.763 50 0 GJAAHN COc1ccc([C@H]2CN[C@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 ZINC000025538877 207303739 /nfs/dbraw/zinc/30/37/39/207303739.db2.gz GRPYXJAAELENBN-NLFFAJNJSA-N 0 3 388.511 4.886 50 0 GJAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622631 207398530 /nfs/dbraw/zinc/39/85/30/207398530.db2.gz ZOAHOVUKAKWRON-SFHVURJKSA-N 0 3 397.544 4.733 50 0 GJAAHN Cc1ccsc1[C@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C ZINC000067909708 207917592 /nfs/dbraw/zinc/91/75/92/207917592.db2.gz HBOLUIVFUNCACN-KRWDZBQOSA-N 0 3 377.517 4.613 50 0 GJAAHN COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC(CO)CC1 ZINC000072481243 208032241 /nfs/dbraw/zinc/03/22/41/208032241.db2.gz APVRXEZXSHMFJA-UHFFFAOYSA-N 0 3 396.918 4.768 50 0 GJAAHN c1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cnc(C4CCCCC4)nc3)C2)cc1 ZINC000095385985 208174948 /nfs/dbraw/zinc/17/49/48/208174948.db2.gz GUOMBKXZHXMADB-XUZZJYLKSA-N 0 3 390.575 4.621 50 0 GJAAHN CC(C)[C@H](N[C@H](C)c1ccc(I)cc1)c1ccccn1 ZINC000095968214 208247284 /nfs/dbraw/zinc/24/72/84/208247284.db2.gz XRGUYVBLPUTUHF-DYVFJYSZSA-N 0 3 380.273 4.734 50 0 GJAAHN CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 ZINC000059394250 209001344 /nfs/dbraw/zinc/00/13/44/209001344.db2.gz UXPFWYRMHWNMKG-MRXNPFEDSA-N 0 3 378.373 4.503 50 0 GJAAHN O=C(NC1CCCC1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004679814 220746319 /nfs/dbraw/zinc/74/63/19/220746319.db2.gz HWPDCCVYMRDBOV-UHFFFAOYSA-N 0 3 392.543 4.536 50 0 GJAAHN CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000008992109 221067808 /nfs/dbraw/zinc/06/78/08/221067808.db2.gz NDARNUNVWAZQCT-PBHICJAKSA-N 0 3 383.923 4.679 50 0 GJAAHN C(=C/c1ccccc1)\CN1CCC(n2c3ncccc3nc2[C@H]2CCCO2)CC1 ZINC000011785587 221124579 /nfs/dbraw/zinc/12/45/79/221124579.db2.gz GYBFYOGBQXPVQP-FSNDINTDSA-N 0 3 388.515 4.633 50 0 GJAAHN CC[C@@H](COC)NCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012074337 221146118 /nfs/dbraw/zinc/14/61/18/221146118.db2.gz BHOKNCARANAYFG-SFHVURJKSA-N 0 3 385.458 4.641 50 0 GJAAHN CC[C@H](COC)NCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012074340 221146988 /nfs/dbraw/zinc/14/69/88/221146988.db2.gz BHOKNCARANAYFG-GOSISDBHSA-N 0 3 385.458 4.641 50 0 GJAAHN C[C@H](CCN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000011913686 221136595 /nfs/dbraw/zinc/13/65/95/221136595.db2.gz UOKLAXQCSHMGJM-KBMIEXCESA-N 0 3 388.511 4.552 50 0 GJAAHN Cc1ccc(-c2n[nH]cc2CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1C ZINC000012305817 221177977 /nfs/dbraw/zinc/17/79/77/221177977.db2.gz ANSAORGCKRRCMR-UHFFFAOYSA-N 0 3 385.515 4.949 50 0 GJAAHN COc1cccc(C[C@@]2(CO)CCCN(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000012204305 221167572 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CCn1cc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(C)n1 ZINC000014990832 221324481 /nfs/dbraw/zinc/32/44/81/221324481.db2.gz OSEJPZYMTUIEGG-QGZVFWFLSA-N 0 3 383.927 4.635 50 0 GJAAHN O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374081 222060207 /nfs/dbraw/zinc/06/02/07/222060207.db2.gz MCAPEVUGINJXSI-GOSISDBHSA-N 0 3 388.433 4.683 50 0 GJAAHN CCCCO[C@@H](C)C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095986092 222367928 /nfs/dbraw/zinc/36/79/28/222367928.db2.gz KQBRXJUZBGILMS-UGKGYDQZSA-N 0 3 390.568 4.610 50 0 GJAAHN CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000019792391 570219462 /nfs/dbraw/zinc/21/94/62/570219462.db2.gz GFSZMHMXMMNFLL-UHFFFAOYSA-N 0 3 391.563 4.543 50 0 GJAAHN CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000020175721 570246085 /nfs/dbraw/zinc/24/60/85/570246085.db2.gz XIZOQTQNZXJKJK-UHFFFAOYSA-N 0 3 397.346 4.622 50 0 GJAAHN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000054956593 570254584 /nfs/dbraw/zinc/25/45/84/570254584.db2.gz 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221193232 /nfs/dbraw/zinc/19/32/32/221193232.db2.gz WPRVPLWIYMDIIC-QFIPXVFZSA-N 0 3 385.511 4.908 50 0 GJAAHN COc1ccccc1/C=C/CN1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012585279 221210135 /nfs/dbraw/zinc/21/01/35/221210135.db2.gz VCCRFAZUYUPLNS-LKYAVPRHSA-N 0 3 385.935 4.679 50 0 GJAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012728973 221222228 /nfs/dbraw/zinc/22/22/28/221222228.db2.gz TZUFSRLLCBMIND-QHCPKHFHSA-N 0 3 390.552 4.898 50 0 GJAAHN CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012803803 221233995 /nfs/dbraw/zinc/23/39/95/221233995.db2.gz FKOUDMPWCVFUNR-FQEVSTJZSA-N 0 3 379.456 4.543 50 0 GJAAHN Cc1cc(C)cc(OCCN(C)CCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000012818170 221235910 /nfs/dbraw/zinc/23/59/10/221235910.db2.gz OQJVCEOCCATIQG-UHFFFAOYSA-N 0 3 395.330 4.950 50 0 GJAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)Nc1cccc2c1CCCC2 ZINC000013363940 221267270 /nfs/dbraw/zinc/26/72/70/221267270.db2.gz LDJHUVQGAAKLDI-UHFFFAOYSA-N 0 3 395.522 4.738 50 0 GJAAHN CCCN1CCC(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000014242563 221307239 /nfs/dbraw/zinc/30/72/39/221307239.db2.gz JBLBNYFVIPHKTB-HSZRJFAPSA-N 0 3 375.516 4.556 50 0 GJAAHN COc1ccccc1OC1CCN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 ZINC000015063206 221327844 /nfs/dbraw/zinc/32/78/44/221327844.db2.gz CYYRYFOSUMWQEG-UHFFFAOYSA-N 0 3 391.515 4.746 50 0 GJAAHN O=C(CC[C@H]1CCCN(Cc2ccc(OC3CCCC3)cc2)C1)N1CCCC1 ZINC000015075954 221331880 /nfs/dbraw/zinc/33/18/80/221331880.db2.gz XBMQUHXFGPMBFL-HXUWFJFHSA-N 0 3 384.564 4.623 50 0 GJAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)Nc1ccc2ncsc2c1 ZINC000299764166 209084906 /nfs/dbraw/zinc/08/49/06/209084906.db2.gz XHNZILWMDYALQG-UHFFFAOYSA-N 0 3 380.517 4.556 50 0 GJAAHN O=C(Nc1ccc2cc[nH]c2c1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000071280972 222178751 /nfs/dbraw/zinc/17/87/51/222178751.db2.gz DRQVYFOHWHZWQC-UHFFFAOYSA-N 0 3 381.479 4.828 50 0 GJAAHN CCN(C(=O)Nc1ccc(CCSC)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095942660 222363109 /nfs/dbraw/zinc/36/31/09/222363109.db2.gz RHGKXEFKANMSRC-JOCHJYFZSA-N 0 3 397.588 4.720 50 0 GJAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000426599577 534627097 /nfs/dbraw/zinc/62/70/97/534627097.db2.gz LMTXGUOXXWPFLQ-XMMPIXPASA-N 0 3 385.511 4.706 50 0 GJAAHN CCN1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@@H]1c1ccccc1 ZINC000034667409 570292587 /nfs/dbraw/zinc/29/25/87/570292587.db2.gz OCRIFFKJAWTRHU-VWLOTQADSA-N 0 3 386.495 4.672 50 0 GJAAHN CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682565 570300333 /nfs/dbraw/zinc/30/03/33/570300333.db2.gz XEGQWYPBJDLBNT-UHFFFAOYSA-N 0 3 394.412 4.862 50 0 GJAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455430 570317157 /nfs/dbraw/zinc/31/71/57/570317157.db2.gz ALEFCVQKRMTJIQ-ZAOIQFLMSA-N 0 3 388.477 4.967 50 0 GJAAHN C[C@@H](NCCc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023425457 570362053 /nfs/dbraw/zinc/36/20/53/570362053.db2.gz BQLUYZDFNLHKGF-OAHLLOKOSA-N 0 3 375.497 4.545 50 0 GJAAHN CN(C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1csc2ccccc21 ZINC000575621729 570370522 /nfs/dbraw/zinc/37/05/22/570370522.db2.gz SBRWGMXOULDPEV-KRWDZBQOSA-N 0 3 392.446 4.953 50 0 GJAAHN O[C@H](COc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004819384 570408572 /nfs/dbraw/zinc/40/85/72/570408572.db2.gz ZVIKABZTZWVELV-NRFANRHFSA-N 0 3 381.903 4.782 50 0 GJAAHN CCOC(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000004977571 570421225 /nfs/dbraw/zinc/42/12/25/570421225.db2.gz DBEWWPHYNOKFKC-KRWDZBQOSA-N 0 3 375.553 4.762 50 0 GJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000248121085 570440757 /nfs/dbraw/zinc/44/07/57/570440757.db2.gz VBYFJVGKRCTMDW-CAOCKLPOSA-N 0 3 395.543 4.881 50 0 GJAAHN COc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027795756 570443318 /nfs/dbraw/zinc/44/33/18/570443318.db2.gz FUGTWLHBXXSGCS-NRFANRHFSA-N 0 3 386.923 4.696 50 0 biogenic GJAAHN CCC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000028919630 570466263 /nfs/dbraw/zinc/46/62/63/570466263.db2.gz DRHLEGUHSPKJRN-HTAPYJJXSA-N 0 3 377.484 4.523 50 0 GJAAHN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006641811 570513728 /nfs/dbraw/zinc/51/37/28/570513728.db2.gz XOZQFEQVRDICDF-ZKENHABCSA-N 0 3 393.527 4.782 50 0 biogenic GJAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036095322 570534378 /nfs/dbraw/zinc/53/43/78/570534378.db2.gz CEHGEBGQRXPHGF-XMMPIXPASA-N 0 3 375.512 4.609 50 0 GJAAHN CC(C)CCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095553 570535059 /nfs/dbraw/zinc/53/50/59/570535059.db2.gz ICSHWENBMUIFEG-FQEVSTJZSA-N 0 3 379.903 4.767 50 0 GJAAHN COc1ccccc1CN(CCC(C)C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096228 570537183 /nfs/dbraw/zinc/53/71/83/570537183.db2.gz VRGBSBYIYOOAHA-HXUWFJFHSA-N 0 3 391.939 4.637 50 0 GJAAHN COc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(OC)cc1Cl ZINC000010339127 570569855 /nfs/dbraw/zinc/56/98/55/570569855.db2.gz JWFXTGWLJNGOAC-UHFFFAOYSA-N 0 3 388.895 4.595 50 0 GJAAHN COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@@H]3c3ccccn3)ccc2c1 ZINC000011816748 570584347 /nfs/dbraw/zinc/58/43/47/570584347.db2.gz FZXUFTFRARPTKE-HSZRJFAPSA-N 0 3 384.483 4.971 50 0 GJAAHN Cc1nc2c(n1[C@@H]1CCN(Cc3coc(-c4cccc(Cl)c4)n3)C1)CCCC2 ZINC000225666350 570600313 /nfs/dbraw/zinc/60/03/13/570600313.db2.gz MWLGMRGWUHHQFE-LJQANCHMSA-N 0 3 396.922 4.826 50 0 GJAAHN CN(CCc1cn[nH]c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012315206 570640779 /nfs/dbraw/zinc/64/07/79/570640779.db2.gz YWDWXDLPGWJZOQ-UHFFFAOYSA-N 0 3 377.536 4.532 50 0 GJAAHN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC000006877401 570668313 /nfs/dbraw/zinc/66/83/13/570668313.db2.gz NKJPGMZKWZHFBC-GOSISDBHSA-N 0 3 397.950 4.951 50 0 GJAAHN CN(C)Cc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000238856506 570680002 /nfs/dbraw/zinc/68/00/02/570680002.db2.gz WBNUHWUTAHSPER-XYWHTSSQSA-N 0 3 384.951 5.200 50 0 investigational GJAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008862999 570683741 /nfs/dbraw/zinc/68/37/41/570683741.db2.gz GEYXNSTXEFGJHM-NRFANRHFSA-N 0 3 386.561 4.882 50 0 GJAAHN COc1ccc(-n2cc(CNCCOC(C)C)c(-c3ccccc3Cl)n2)cc1 ZINC000012594600 570688481 /nfs/dbraw/zinc/68/84/81/570688481.db2.gz YJKOBXLQLGLUHI-UHFFFAOYSA-N 0 3 399.922 4.716 50 0 GJAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(cccc2Cl)s1 ZINC000004359483 570705774 /nfs/dbraw/zinc/70/57/74/570705774.db2.gz RDDPXLXIICSKRQ-UHFFFAOYSA-N 0 3 377.897 4.531 50 0 GJAAHN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 ZINC000012773050 570711943 /nfs/dbraw/zinc/71/19/43/570711943.db2.gz KSELIZGAKQNAKU-UHFFFAOYSA-N 0 3 376.422 4.621 50 0 GJAAHN CCC[C@@H](C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000012975573 570734482 /nfs/dbraw/zinc/73/44/82/570734482.db2.gz FKNMFPVHZUQTFR-IFMALSPDSA-N 0 3 392.543 4.675 50 0 GJAAHN CCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1 ZINC000032733113 570787878 /nfs/dbraw/zinc/78/78/78/570787878.db2.gz IXRIXOFSDPYERT-FQEVSTJZSA-N 0 3 396.556 4.891 50 0 GJAAHN COc1ccc(NC(=S)N(CCC(C)C)C2CCN(C(C)C)CC2)cc1 ZINC000004669340 570813564 /nfs/dbraw/zinc/81/35/64/570813564.db2.gz GKFVTSAJGRWETO-UHFFFAOYSA-N 0 3 377.598 4.613 50 0 GJAAHN Cc1ccc(CCC2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000032858135 570856257 /nfs/dbraw/zinc/85/62/57/570856257.db2.gz MJSRBWJOCHCIGM-UHFFFAOYSA-N 0 3 395.934 4.501 50 0 GJAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCc2cccc3[nH]ccc32)c1 ZINC000299759829 570892242 /nfs/dbraw/zinc/89/22/42/570892242.db2.gz NQELYHQRXJOTNP-QGZVFWFLSA-N 0 3 376.504 4.864 50 0 GJAAHN Clc1ccc(COc2ccccc2CNCCCn2ccnc2)c(Cl)c1 ZINC000010313982 570926650 /nfs/dbraw/zinc/92/66/50/570926650.db2.gz ZZNFHZIIIITPFA-UHFFFAOYSA-N 0 3 390.314 4.949 50 0 GJAAHN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000025712913 570954114 /nfs/dbraw/zinc/95/41/14/570954114.db2.gz IZSPHQUPWUGWFS-HSZRJFAPSA-N 0 3 379.548 4.769 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000005591215 570971091 /nfs/dbraw/zinc/97/10/91/570971091.db2.gz BHOJBSDIXNALLO-SFHVURJKSA-N 0 3 385.895 4.679 50 0 GJAAHN Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c(CN(C)C)c1 ZINC000084142375 571002706 /nfs/dbraw/zinc/00/27/06/571002706.db2.gz WPIUNSJFHJRMAV-UHFFFAOYSA-N 0 3 390.483 4.866 50 0 GJAAHN FC(F)Oc1ccc2c(c1)CCC[C@@H]2NCc1cc(Cl)c2c(c1)OCCO2 ZINC000084490033 571018831 /nfs/dbraw/zinc/01/88/31/571018831.db2.gz XVGAPYKHNJAPTG-KRWDZBQOSA-N 0 3 395.833 4.880 50 0 GJAAHN Cc1cc2c(cc(C(=O)NCCN(C)C)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037542050 571029621 /nfs/dbraw/zinc/02/96/21/571029621.db2.gz HPOOJHPBEOKFCV-UHFFFAOYSA-N 0 3 397.588 4.648 50 0 GJAAHN Cc1ccc(-c2cccc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)c2)o1 ZINC000095364373 571057459 /nfs/dbraw/zinc/05/74/59/571057459.db2.gz XVMINHRAIJJUGI-XUZZJYLKSA-N 0 3 387.527 4.746 50 0 GJAAHN C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095374686 571063160 /nfs/dbraw/zinc/06/31/60/571063160.db2.gz ADBXLJBPJOTGOT-SFHVURJKSA-N 0 3 375.516 4.987 50 0 GJAAHN CN(CCN1CCCC1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000426388599 529908248 /nfs/dbraw/zinc/90/82/48/529908248.db2.gz WVGNHNMAMCGDFW-UHFFFAOYSA-N 0 3 376.422 4.540 50 0 GJAAHN FC(F)(F)Cn1ccnc1CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000328594615 212083055 /nfs/dbraw/zinc/08/30/55/212083055.db2.gz ZAPPFIUFBJVALT-HAQNSBGRSA-N 0 3 378.225 4.788 50 0 GJAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCCc1ccccc1 ZINC000012024223 206848217 /nfs/dbraw/zinc/84/82/17/206848217.db2.gz AHGQOQDESIBKAV-UHFFFAOYSA-N 0 3 396.550 4.562 50 0 GJAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015679739 207056279 /nfs/dbraw/zinc/05/62/79/207056279.db2.gz FADVZOIVKNBVAQ-UHFFFAOYSA-N 0 3 377.941 4.920 50 0 GJAAHN CCOc1ccc(NC(=O)N(Cc2cccs2)C2CCN(CC)CC2)cc1 ZINC000015679758 207055411 /nfs/dbraw/zinc/05/54/11/207055411.db2.gz AZVHVSVPUHVDRJ-UHFFFAOYSA-N 0 3 387.549 4.665 50 0 GJAAHN C[C@H]1CCC[C@H](N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000019841872 207166871 /nfs/dbraw/zinc/16/68/71/207166871.db2.gz RYYHMGASSLYPIG-REWPJTCUSA-N 0 3 376.544 4.541 50 0 GJAAHN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020905924 207219939 /nfs/dbraw/zinc/21/99/39/207219939.db2.gz NGLBSWQDFOVDGS-NRFANRHFSA-N 0 3 397.526 4.950 50 0 GJAAHN CCc1ccc(NC(=O)N(Cc2cccc(OC)c2)C2CCN(CC)CC2)cc1 ZINC000020927581 207220606 /nfs/dbraw/zinc/22/06/06/207220606.db2.gz IKPZYPSTOCVJGJ-UHFFFAOYSA-N 0 3 395.547 4.776 50 0 GJAAHN COc1ccc(C[C@@H](NCc2ccccc2OC)c2ccc(OC)cc2)cc1 ZINC000022789838 207260758 /nfs/dbraw/zinc/26/07/58/207260758.db2.gz YJFNLCFEWDSLTQ-HSZRJFAPSA-N 0 3 377.484 4.786 50 0 GJAAHN CC(C)[C@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000029964570 207367475 /nfs/dbraw/zinc/36/74/75/207367475.db2.gz IZXOVNQXOYBJDV-DEOSSOPVSA-N 0 3 388.515 4.675 50 0 GJAAHN Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)C[C@H](c1ccccc1)CC3 ZINC000040287245 207592765 /nfs/dbraw/zinc/59/27/65/207592765.db2.gz CEDPDPBKJUAAJI-HXUWFJFHSA-N 0 3 382.511 4.951 50 0 GJAAHN CCn1cc(CN2CCC(C(=O)NC3CCCC3)CC2)c2cc(Cl)ccc21 ZINC000065060047 207831676 /nfs/dbraw/zinc/83/16/76/207831676.db2.gz UJWRDNXOHLOPQA-UHFFFAOYSA-N 0 3 387.955 4.585 50 0 GJAAHN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005074596 220825687 /nfs/dbraw/zinc/82/56/87/220825687.db2.gz MNZAZSHKRHQWET-JOCHJYFZSA-N 0 3 386.536 4.558 50 0 GJAAHN COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c32)CCCC4)N(C)C)c1 ZINC000006510620 220939123 /nfs/dbraw/zinc/93/91/23/220939123.db2.gz MQGBMOONTGTCQM-GOSISDBHSA-N 0 3 396.560 4.602 50 0 GJAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000008992108 221067855 /nfs/dbraw/zinc/06/78/55/221067855.db2.gz NDARNUNVWAZQCT-YOEHRIQHSA-N 0 3 383.923 4.679 50 0 GJAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)cc2F)CC1 ZINC000011816390 221128192 /nfs/dbraw/zinc/12/81/92/221128192.db2.gz BGRQHHOXFDNIMC-UHFFFAOYSA-N 0 3 388.914 4.506 50 0 GJAAHN Cc1ccoc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000011844166 221132860 /nfs/dbraw/zinc/13/28/60/221132860.db2.gz YPYXDFZIZODHKB-XMMPIXPASA-N 0 3 380.532 4.840 50 0 GJAAHN CCCCC1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000011916608 221136703 /nfs/dbraw/zinc/13/67/03/221136703.db2.gz GCLKCJUMLUNRSZ-IRSIHTCSSA-N 0 3 386.580 4.945 50 0 GJAAHN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000012076464 221147998 /nfs/dbraw/zinc/14/79/98/221147998.db2.gz GZFJCXDNJRYWCE-UHFFFAOYSA-N 0 3 387.483 4.725 50 0 GJAAHN O=C(CC[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)N1CCCC1 ZINC000012093429 221151019 /nfs/dbraw/zinc/15/10/19/221151019.db2.gz IMOFDIVMWPVBED-HXUWFJFHSA-N 0 3 384.564 4.623 50 0 GJAAHN Cc1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012385214 221187781 /nfs/dbraw/zinc/18/77/81/221187781.db2.gz MEEXNKHHSVGVMX-UHFFFAOYSA-N 0 3 397.478 4.866 50 0 GJAAHN COC[C@@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012837011 221237924 /nfs/dbraw/zinc/23/79/24/221237924.db2.gz CHPSXJUYWBSKJZ-LJQANCHMSA-N 0 3 393.506 4.845 50 0 GJAAHN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000013072693 221260180 /nfs/dbraw/zinc/26/01/80/221260180.db2.gz NIZRBYVDKMPMCD-LGQSSRTCSA-N 0 3 398.934 4.705 50 0 GJAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000014633069 221313244 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Cc1ncsc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000012429669 221191413 /nfs/dbraw/zinc/19/14/13/221191413.db2.gz BDZJFMQHKPFFGE-QHCPKHFHSA-N 0 3 397.588 4.703 50 0 GJAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 ZINC000012708975 221218974 /nfs/dbraw/zinc/21/89/74/221218974.db2.gz CXTNGAFCSFIWBE-QHCPKHFHSA-N 0 3 398.591 4.689 50 0 GJAAHN Cc1ccc(Cl)cc1NC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000013363915 221267003 /nfs/dbraw/zinc/26/70/03/221267003.db2.gz VXERBJGEAYBMEM-UHFFFAOYSA-N 0 3 389.902 4.821 50 0 GJAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000014633068 221313214 /nfs/dbraw/zinc/31/32/14/221313214.db2.gz UXBZGSQKZIHODG-JWQCQUIFSA-N 0 3 384.523 4.754 50 0 GJAAHN CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000014980676 221324098 /nfs/dbraw/zinc/32/40/98/221324098.db2.gz JPTNHYGOHHZOFL-NRFANRHFSA-N 0 3 376.500 4.602 50 0 GJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000017363090 221384185 /nfs/dbraw/zinc/38/41/85/221384185.db2.gz DZPMXOINBYTCGT-UHFFFAOYSA-N 0 3 394.462 4.693 50 0 GJAAHN CCOc1ccc(N2CCc3c2nc2ccc(Br)cc2c3N)cc1 ZINC000018847067 221392707 /nfs/dbraw/zinc/39/27/07/221392707.db2.gz SAFXXMCKPAGZHZ-UHFFFAOYSA-N 0 3 384.277 4.672 50 0 GJAAHN CCN1CCC(N(Cc2ccco2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020532285 221497624 /nfs/dbraw/zinc/49/76/24/221497624.db2.gz GLZBCDYITDGPJK-UHFFFAOYSA-N 0 3 395.425 4.817 50 0 GJAAHN Cc1cccc(CN(C)C2CCN(c3cccc(-c4cscn4)c3)CC2)n1 ZINC000063856208 136156459 /nfs/dbraw/zinc/15/64/59/136156459.db2.gz HYCIMCZKCVNSOP-UHFFFAOYSA-N 0 3 378.545 4.614 50 0 GJAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)c(C)s1 ZINC000064450233 222070366 /nfs/dbraw/zinc/07/03/66/222070366.db2.gz MVUXFGNIOKAWEC-KRWDZBQOSA-N 0 3 393.512 4.785 50 0 GJAAHN Cc1c2cc(F)ccc2[nH]c1CN1CCc2n[nH]c(-c3cccc(F)c3)c2C1 ZINC000071315617 222179850 /nfs/dbraw/zinc/17/98/50/222179850.db2.gz CLJIRQRFWZARMR-UHFFFAOYSA-N 0 3 378.426 4.703 50 0 GJAAHN CCC[C@H](C)N1CC2(CCN(Cc3ccc(C)c4ncccc34)CC2)OC1=O ZINC000072407980 222255289 /nfs/dbraw/zinc/25/52/89/222255289.db2.gz HOLATZHTQDNCLW-SFHVURJKSA-N 0 3 381.520 4.519 50 0 GJAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)C[C@@H]2CCCCO2)o1 ZINC000072454053 222262680 /nfs/dbraw/zinc/26/26/80/222262680.db2.gz LXRVNUQSIQNMLW-FQEVSTJZSA-N 0 3 383.467 4.581 50 0 GJAAHN Cc1cc(OC(F)F)c(C(=O)Nc2cccc(CN3CCCCC3)c2)s1 ZINC000079309420 222305842 /nfs/dbraw/zinc/30/58/42/222305842.db2.gz NAWUVHZHSNHXES-UHFFFAOYSA-N 0 3 380.460 4.896 50 0 GJAAHN CSCC[C@H](NCCCc1cccc2ccccc21)c1nnc2ccccn21 ZINC000095941206 222363033 /nfs/dbraw/zinc/36/30/33/222363033.db2.gz FRUCLZZDJDCFHZ-NRFANRHFSA-N 0 3 390.556 4.899 50 0 GJAAHN COc1ccc(CCN[C@@H](c2cc3ccccc3o2)c2cccnc2)cc1OC ZINC000095996204 222368600 /nfs/dbraw/zinc/36/86/00/222368600.db2.gz USDQWIVWZOKDTG-XMMPIXPASA-N 0 3 388.467 4.767 50 0 GJAAHN FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000019840960 570224684 /nfs/dbraw/zinc/22/46/84/570224684.db2.gz DDFPPVUNLJWCSO-KRWDZBQOSA-N 0 3 386.421 4.870 50 0 GJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC2CCCC2)c(OC)c1 ZINC000019874267 570227096 /nfs/dbraw/zinc/22/70/96/570227096.db2.gz ASXPGUFNHADHRD-HSZRJFAPSA-N 0 3 392.499 4.742 50 0 GJAAHN CCN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000002324452 570282516 /nfs/dbraw/zinc/28/25/16/570282516.db2.gz IBWRRUNCUDLQEW-UHFFFAOYSA-N 0 3 399.947 4.949 50 0 GJAAHN CCOc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCN(CC)CC1 ZINC000006877677 570295040 /nfs/dbraw/zinc/29/50/40/570295040.db2.gz SECZBSJKCYDWQX-UHFFFAOYSA-N 0 3 399.510 4.743 50 0 GJAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000014633067 570320670 /nfs/dbraw/zinc/32/06/70/570320670.db2.gz UXBZGSQKZIHODG-RPBOFIJWSA-N 0 3 384.523 4.754 50 0 GJAAHN CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 ZINC000003831041 570351071 /nfs/dbraw/zinc/35/10/71/570351071.db2.gz SLVMESMUVMCQIY-AKJBCIBTSA-N 0 3 386.586 4.901 50 0 world GJAAHN COc1cc2c(cc1OC)CN([C@@H](C)Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023280879 570353875 /nfs/dbraw/zinc/35/38/75/570353875.db2.gz ZKNMBUQQBPNZNS-AWEZNQCLSA-N 0 3 379.422 4.712 50 0 GJAAHN O[C@@H](CNCc1ccco1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004190379 570362386 /nfs/dbraw/zinc/36/23/86/570362386.db2.gz MYFKSKBVPJLTID-HNNXBMFYSA-N 0 3 389.282 4.845 50 0 GJAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c(C)s1 ZINC000035511545 570388356 /nfs/dbraw/zinc/38/83/56/570388356.db2.gz NAVJUQIRJPPUEN-INIZCTEOSA-N 0 3 399.903 4.821 50 0 GJAAHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1 ZINC000005102934 570429588 /nfs/dbraw/zinc/42/95/88/570429588.db2.gz HUTNDZDFGQTVGD-UHFFFAOYSA-N 0 3 376.544 4.767 50 0 GJAAHN CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027793106 570442461 /nfs/dbraw/zinc/44/24/61/570442461.db2.gz YHUPZTZOYLCAPZ-JOCHJYFZSA-N 0 3 380.532 4.741 50 0 GJAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028296179 570457520 /nfs/dbraw/zinc/45/75/20/570457520.db2.gz LVNQTQMMTAURPE-HXUWFJFHSA-N 0 3 395.890 4.562 50 0 GJAAHN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006641682 570513742 /nfs/dbraw/zinc/51/37/42/570513742.db2.gz XOZQFEQVRDICDF-IWFLJPMXSA-N 0 3 393.527 4.782 50 0 GJAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036104688 570541217 /nfs/dbraw/zinc/54/12/17/570541217.db2.gz NFYHCACXMFSEFZ-DEOSSOPVSA-N 0 3 393.502 4.885 50 0 GJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036307204 570604262 /nfs/dbraw/zinc/60/42/62/570604262.db2.gz HDYFIRCKAWFCNT-KRWDZBQOSA-N 0 3 397.494 4.611 50 0 GJAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000006877680 570668892 /nfs/dbraw/zinc/66/88/92/570668892.db2.gz HLJTWVSOUYKOTA-UHFFFAOYSA-N 0 3 399.510 4.661 50 0 GJAAHN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)ccc1O ZINC000016042907 570686425 /nfs/dbraw/zinc/68/64/25/570686425.db2.gz ZPRXFOYSQXJVFF-NKKJXINNSA-N 0 3 381.516 4.578 50 0 biogenic GJAAHN O=C(NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)c1cc2ccccc2[nH]1 ZINC000012706181 570700521 /nfs/dbraw/zinc/70/05/21/570700521.db2.gz APAXEUULDNLOHI-QGZVFWFLSA-N 0 3 387.483 4.556 50 0 GJAAHN Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057428733 570702383 /nfs/dbraw/zinc/70/23/83/570702383.db2.gz BZRMGVKUZAROKP-UHFFFAOYSA-N 0 3 385.511 4.570 50 0 GJAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1 ZINC000004359453 570705980 /nfs/dbraw/zinc/70/59/80/570705980.db2.gz OOSJWHPIOIZUEW-UHFFFAOYSA-N 0 3 377.897 4.531 50 0 GJAAHN Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922844 570706862 /nfs/dbraw/zinc/70/68/62/570706862.db2.gz QKQZEKKTBGAMSI-QDSKXPNFSA-N 0 3 379.500 4.592 50 0 biogenic GJAAHN COCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000013722245 570780355 /nfs/dbraw/zinc/78/03/55/570780355.db2.gz DROQWDFBLTVKKW-UHFFFAOYSA-N 0 3 384.303 4.707 50 0 GJAAHN C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000032759587 570795066 /nfs/dbraw/zinc/79/50/66/570795066.db2.gz BKJUBXJOXMYEGH-OXQOHEQNSA-N 0 3 379.891 4.636 50 0 GJAAHN O=C(Nc1cccc2cccnc21)C1Oc2ccccc2O[C@H]1c1ccccc1 ZINC000526059747 570846768 /nfs/dbraw/zinc/84/67/68/570846768.db2.gz CZNGIWVYACIMTA-GOTSBHOMSA-N 0 3 382.419 4.755 50 0 GJAAHN Cc1c([C@H](C)NCc2ccc(-n3cccn3)cc2C)cnn1-c1cccc(F)c1 ZINC000015071615 570877262 /nfs/dbraw/zinc/87/72/62/570877262.db2.gz BSEBRYMMYXDPMH-KRWDZBQOSA-N 0 3 389.478 4.665 50 0 GJAAHN Cc1ccc2c(c1)cc(CN[C@@H](Cc1ccccc1)c1ccccc1)c(=O)n2C ZINC000299800309 570898217 /nfs/dbraw/zinc/89/82/17/570898217.db2.gz WRJLQDNZBRAFTG-DEOSSOPVSA-N 0 3 382.507 4.921 50 0 GJAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000006508778 570930612 /nfs/dbraw/zinc/93/06/12/570930612.db2.gz OVOIFXKKUCJITK-HKUYNNGSSA-N 0 3 375.299 4.750 50 0 GJAAHN CC(C)(C)[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000032935946 570948268 /nfs/dbraw/zinc/94/82/68/570948268.db2.gz IGOMOKLNPXUBMS-JOCHJYFZSA-N 0 3 379.548 4.738 50 0 GJAAHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1F ZINC000012676990 570948472 /nfs/dbraw/zinc/94/84/72/570948472.db2.gz LJPLCRCQGCJJNV-XIKOKIGWSA-N 0 3 391.284 4.656 50 0 GJAAHN C[C@@H]1CN(c2ccccc2CN2CCCCC[C@H]2c2ccncc2)C[C@H](C)O1 ZINC000252477746 570966409 /nfs/dbraw/zinc/96/64/09/570966409.db2.gz VAJSQJIBUOOABE-MZKRTTBSSA-N 0 3 379.548 4.813 50 0 GJAAHN CCOc1cc(CN2CCN(Cc3cccc4ccccc43)CC2)ccc1OC ZINC000019359459 570979427 /nfs/dbraw/zinc/97/94/27/570979427.db2.gz OBCUMUOYZNHACF-UHFFFAOYSA-N 0 3 390.527 4.565 50 0 GJAAHN CCCCO[C@H](C)C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000252511798 570982017 /nfs/dbraw/zinc/98/20/17/570982017.db2.gz KQBRXJUZBGILMS-DENIHFKCSA-N 0 3 390.568 4.610 50 0 GJAAHN CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000239433498 212133547 /nfs/dbraw/zinc/13/35/47/212133547.db2.gz XTXJCNLNKMWVKO-MYCYEZBNSA-N 0 3 379.588 6.417 50 0 GJAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(C)O ZINC000239338856 206279915 /nfs/dbraw/zinc/27/99/15/206279915.db2.gz LIBIPIXHWFBTLG-DKGSKVKPSA-N 0 3 392.370 6.182 50 0 GJAAHN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)ccc1O ZINC000004047279 206293720 /nfs/dbraw/zinc/29/37/20/206293720.db2.gz ZPRXFOYSQXJVFF-OYDLWJJNSA-N 0 3 381.516 4.578 50 0 biogenic GJAAHN O=C(c1ccc(Cl)s1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000014955967 207033693 /nfs/dbraw/zinc/03/36/93/207033693.db2.gz WPZRCONBYRHPKA-FQEVSTJZSA-N 0 3 392.927 4.669 50 0 GJAAHN Cc1nc(-c2ccccc2)c(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000015425577 207051818 /nfs/dbraw/zinc/05/18/18/207051818.db2.gz USRBUHAJKDPLOT-UHFFFAOYSA-N 0 3 391.540 4.513 50 0 GJAAHN CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000019146644 207106008 /nfs/dbraw/zinc/10/60/08/207106008.db2.gz MIAUZXMRRCJROG-LJQANCHMSA-N 0 3 379.479 4.994 50 0 GJAAHN CCOc1cc(CNCCN(C)C)c(Cl)cc1OCc1ccccc1Cl ZINC000019691230 207148244 /nfs/dbraw/zinc/14/82/44/207148244.db2.gz WAFAGZWVEYSVAS-UHFFFAOYSA-N 0 3 397.346 4.622 50 0 GJAAHN CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000019770397 207161743 /nfs/dbraw/zinc/16/17/43/207161743.db2.gz BRYSGTDRSIOCPS-UHFFFAOYSA-N 0 3 386.495 4.896 50 0 GJAAHN Cc1sc2c(c1C)CSC(C(=O)NC1CCN(Cc3ccccc3)CC1)=C2 ZINC000020931176 207220894 /nfs/dbraw/zinc/22/08/94/207220894.db2.gz JVQVIXDBGUNBAU-UHFFFAOYSA-N 0 3 398.597 4.733 50 0 GJAAHN O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)C1(c2ccccc2)CC1 ZINC000023128494 207270240 /nfs/dbraw/zinc/27/02/40/207270240.db2.gz LRQVWDSLDQLOLY-UHFFFAOYSA-N 0 3 392.568 4.611 50 0 GJAAHN c1csc([C@@H](CNCc2cnn(-c3ccccc3)n2)c2c[nH]c3ccccc32)c1 ZINC000023983022 207284426 /nfs/dbraw/zinc/28/44/26/207284426.db2.gz YEMFEUYGKZVROR-NRFANRHFSA-N 0 3 399.523 4.732 50 0 GJAAHN Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 ZINC000027741400 207331030 /nfs/dbraw/zinc/33/10/30/207331030.db2.gz SWZMKPUOWLZYRW-DEOSSOPVSA-N 0 3 394.559 4.724 50 0 GJAAHN CC(C)CN(CC(C)C)CN1C[C@@H](COc2cccc3ccccc32)OC1=O ZINC000027573099 207327167 /nfs/dbraw/zinc/32/71/67/207327167.db2.gz PDQKIJIEBBUZPO-FQEVSTJZSA-N 0 3 384.520 4.611 50 0 GJAAHN CC(C)(C)[C@@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000040155739 207357513 /nfs/dbraw/zinc/35/75/13/207357513.db2.gz WNIYJHMLXVHDLJ-SFHVURJKSA-N 0 3 375.310 4.765 50 0 GJAAHN C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 ZINC000080345445 208077216 /nfs/dbraw/zinc/07/72/16/208077216.db2.gz CDIAHUNJUKBIIS-ZDUSSCGKSA-N 0 3 381.303 4.858 50 0 GJAAHN Cc1c2cc(Cl)ccc2[nH]c1CN1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000095359082 208160374 /nfs/dbraw/zinc/16/03/74/208160374.db2.gz HMYGHHNVMLYUGI-UHFFFAOYSA-N 0 3 387.955 4.600 50 0 GJAAHN CC[C@H]1CN(Cc2ccc(CN3CCCC3)s2)Cc2cc(OC)ccc2O1 ZINC000299787374 209088689 /nfs/dbraw/zinc/08/86/89/209088689.db2.gz WGLZDNNQCZMKQX-SFHVURJKSA-N 0 3 386.561 4.526 50 0 GJAAHN FC(F)(F)c1nc2ccccc2c(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000007989436 221021389 /nfs/dbraw/zinc/02/13/89/221021389.db2.gz PKQDUXJWSYWDPF-MRXNPFEDSA-N 0 3 390.409 4.881 50 0 GJAAHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2)cc1 ZINC000008474511 221041702 /nfs/dbraw/zinc/04/17/02/221041702.db2.gz KXHGBGABADQNLW-UHFFFAOYSA-N 0 3 377.484 4.615 50 0 GJAAHN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000011667743 221120259 /nfs/dbraw/zinc/12/02/59/221120259.db2.gz PNTUVUDBMZMCJM-NRFANRHFSA-N 0 3 389.474 4.738 50 0 GJAAHN CCCn1ncc(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)c1C ZINC000012073138 221146414 /nfs/dbraw/zinc/14/64/14/221146414.db2.gz XYLSHIOHKFKHCY-UHFFFAOYSA-N 0 3 382.552 4.541 50 0 GJAAHN CCN(Cc1cccc(C(C)=O)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012073794 221147448 /nfs/dbraw/zinc/14/74/48/221147448.db2.gz BWWLSGSZQIRPAK-HSZRJFAPSA-N 0 3 396.550 4.805 50 0 GJAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(C(F)(F)F)c1 ZINC000012213757 221167975 /nfs/dbraw/zinc/16/79/75/221167975.db2.gz QUBGROUHXAPPHE-GOSISDBHSA-N 0 3 394.412 4.515 50 0 GJAAHN Cc1ncsc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000012429668 221191469 /nfs/dbraw/zinc/19/14/69/221191469.db2.gz BDZJFMQHKPFFGE-HSZRJFAPSA-N 0 3 397.588 4.703 50 0 GJAAHN O=C(NC[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)c1cccs1 ZINC000012442557 221195473 /nfs/dbraw/zinc/19/54/73/221195473.db2.gz QJEWDVFNQUEAJK-IBGZPJMESA-N 0 3 398.572 4.712 50 0 GJAAHN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000012754625 221225330 /nfs/dbraw/zinc/22/53/30/221225330.db2.gz CGJMDQWDEZNYFH-ZXXUSRDYSA-N 0 3 395.547 4.713 50 0 GJAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccoc3)C2)cc1Cl ZINC000015073876 221330670 /nfs/dbraw/zinc/33/06/70/221330670.db2.gz KBSJXBOIGPFBLY-OAHLLOKOSA-N 0 3 376.884 4.573 50 0 GJAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000015859689 221349247 /nfs/dbraw/zinc/34/92/47/221349247.db2.gz JDGBSQIYXSPADN-NRFANRHFSA-N 0 3 391.515 4.672 50 0 GJAAHN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000016599881 221366945 /nfs/dbraw/zinc/36/69/45/221366945.db2.gz GJNBMOQLJIGWHN-GOSISDBHSA-N 0 3 399.947 4.805 50 0 GJAAHN CCc1ccsc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000060168062 222057311 /nfs/dbraw/zinc/05/73/11/222057311.db2.gz COUHSNPTRHDLJF-UHFFFAOYSA-N 0 3 384.467 4.533 50 0 GJAAHN CC(C)n1ncc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1C(F)(F)F ZINC000060337221 222059273 /nfs/dbraw/zinc/05/92/73/222059273.db2.gz GBUZKLMNXTYYLE-UHFFFAOYSA-N 0 3 394.441 4.721 50 0 GJAAHN Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1Cc1ccccc1CN(C)C ZINC000067605699 222149956 /nfs/dbraw/zinc/14/99/56/222149956.db2.gz FYOOBYKZCHRFSO-UHFFFAOYSA-N 0 3 385.515 4.667 50 0 GJAAHN Cc1oc(-c2cccc3ccccc32)nc1CN1CCN(C2CCCC2)CC1 ZINC000019739548 570212352 /nfs/dbraw/zinc/21/23/52/570212352.db2.gz YZAUPDHEQVQNBZ-UHFFFAOYSA-N 0 3 375.516 4.863 50 0 GJAAHN COc1ccc(F)c(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000020138189 570241999 /nfs/dbraw/zinc/24/19/99/570241999.db2.gz WUCFNSJDWKSVDI-INIZCTEOSA-N 0 3 383.442 4.743 50 0 GJAAHN Cc1oc(-c2ccoc2)nc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000020451700 570257290 /nfs/dbraw/zinc/25/72/90/570257290.db2.gz HVFKQWLDYKYFOW-BGWNEDDSSA-N 0 3 392.499 4.895 50 0 GJAAHN c1cc([C@H]2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)n[nH]1 ZINC000020455151 570258841 /nfs/dbraw/zinc/25/88/41/570258841.db2.gz OPAXHCFSELFXJI-FQEVSTJZSA-N 0 3 383.499 4.642 50 0 GJAAHN Clc1ccc(OCCCN2CCc3ccccc3C2)c(Br)c1 ZINC000002845186 570307705 /nfs/dbraw/zinc/30/77/05/570307705.db2.gz KYTDTOWJJXVFDV-UHFFFAOYSA-N 0 3 380.713 4.930 50 0 GJAAHN CC1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000003864449 570352647 /nfs/dbraw/zinc/35/26/47/570352647.db2.gz ZYDRSSLYIKMBKE-ZFDSFTMVSA-N 0 3 383.576 4.626 50 0 GJAAHN CN(C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1csc2ccccc21 ZINC000575622243 570371142 /nfs/dbraw/zinc/37/11/42/570371142.db2.gz YIIHIOWSMIZXHF-MRXNPFEDSA-N 0 3 375.444 4.604 50 0 GJAAHN c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CNC[C@@H]1CCCO1 ZINC000024321128 570382218 /nfs/dbraw/zinc/38/22/18/570382218.db2.gz BSCVSXQKEUPFPX-NRFANRHFSA-N 0 3 387.483 4.613 50 0 GJAAHN CCCCc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000024773761 570392966 /nfs/dbraw/zinc/39/29/66/570392966.db2.gz VOGQIMXLOYYDSQ-QFIPXVFZSA-N 0 3 392.543 4.747 50 0 GJAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(SC(F)F)cc1 ZINC000013003966 570414595 /nfs/dbraw/zinc/41/45/95/570414595.db2.gz BEVYDCJYSWWTNX-GOSISDBHSA-N 0 3 376.472 4.568 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000005093378 570415863 /nfs/dbraw/zinc/41/58/63/570415863.db2.gz MYRVDBWBHYRUIM-NRFANRHFSA-N 0 3 379.479 4.571 50 0 GJAAHN CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2c(cccc2F)s1 ZINC000005122007 570421703 /nfs/dbraw/zinc/42/17/03/570421703.db2.gz MFOBMUCGAJOKEM-UHFFFAOYSA-N 0 3 385.508 4.732 50 0 GJAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000239331302 570429222 /nfs/dbraw/zinc/42/92/22/570429222.db2.gz KLOBRRLODJPCDR-JVYGEBFASA-N 0 3 385.551 5.708 50 0 GJAAHN Brc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222577 570432538 /nfs/dbraw/zinc/43/25/38/570432538.db2.gz UYISDQCEYGVSMC-FQEVSTJZSA-N 0 3 396.332 4.861 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(CC)cc3)=NN12 ZINC000006043275 570465013 /nfs/dbraw/zinc/46/50/13/570465013.db2.gz QNJTVHQIEKBPGZ-HSZRJFAPSA-N 0 3 389.543 4.995 50 0 GJAAHN Cc1ccccc1CN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000036104416 570540112 /nfs/dbraw/zinc/54/01/12/570540112.db2.gz FXWNNWBJKVRPLE-RUZDIDTESA-N 0 3 375.512 4.575 50 0 GJAAHN CCN(CC)CCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 ZINC000005302401 570550119 /nfs/dbraw/zinc/55/01/19/570550119.db2.gz PTHCWPDUNXJWDW-UHFFFAOYSA-N 0 3 385.577 4.737 50 0 GJAAHN CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 ZINC000011933087 570593002 /nfs/dbraw/zinc/59/30/02/570593002.db2.gz OGSLDMDHIMEOPQ-UHFFFAOYSA-N 0 3 382.552 4.828 50 0 GJAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1cccs1 ZINC000012020663 570598283 /nfs/dbraw/zinc/59/82/83/570598283.db2.gz VVRSCJWKAANTKD-QGZVFWFLSA-N 0 3 380.513 4.650 50 0 GJAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042437767 570619580 /nfs/dbraw/zinc/61/95/80/570619580.db2.gz NOGOREVPLIDFCL-INIZCTEOSA-N 0 3 383.442 4.743 50 0 GJAAHN CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000005525124 570624998 /nfs/dbraw/zinc/62/49/98/570624998.db2.gz BMHLFGLJULFBDW-GGAORHGYSA-N 0 3 378.516 4.622 50 0 GJAAHN O=C(CC[C@H]1CCCN(Cc2ccco2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012299143 570635205 /nfs/dbraw/zinc/63/52/05/570635205.db2.gz YQBLNIVTGJSNHP-OAHLLOKOSA-N 0 3 380.410 4.929 50 0 GJAAHN Fc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057576165 570702794 /nfs/dbraw/zinc/70/27/94/570702794.db2.gz DYJAZHBRHRTIQO-UHFFFAOYSA-N 0 3 375.491 4.760 50 0 GJAAHN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)ccc1O ZINC000006922842 570706981 /nfs/dbraw/zinc/70/69/81/570706981.db2.gz ZPRXFOYSQXJVFF-QDSKXPNFSA-N 0 3 381.516 4.578 50 0 biogenic GJAAHN CN(C)Cc1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000058223296 570721350 /nfs/dbraw/zinc/72/13/50/570721350.db2.gz WKSGCIZCBKIMQA-WOEOTAOXSA-N 0 3 396.534 4.775 50 0 GJAAHN CN(C)c1ccc(-n2cc(O)c(-c3nc(-c4ccccc4)cs3)c2N)cc1 ZINC000102723560 570858719 /nfs/dbraw/zinc/85/87/19/570858719.db2.gz OHZAFTKCLFYTAV-UHFFFAOYSA-N 0 3 376.485 4.643 50 0 GJAAHN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(CN2CCCCC2)cc1 ZINC000032869042 570862169 /nfs/dbraw/zinc/86/21/69/570862169.db2.gz OLWSAGCCDUEPCU-UHFFFAOYSA-N 0 3 378.394 4.823 50 0 GJAAHN CC[C@H](C)c1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000103317871 570880984 /nfs/dbraw/zinc/88/09/84/570880984.db2.gz SAONAGZNCQTZJZ-JKSBSHDWSA-N 0 3 395.547 4.613 50 0 GJAAHN CC(C)c1ccc(OCC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000170629022 570884571 /nfs/dbraw/zinc/88/45/71/570884571.db2.gz OJPRFHSYDTUODW-LJQANCHMSA-N 0 3 380.532 4.531 50 0 GJAAHN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(CN2CCCCC2)cc1 ZINC000012622529 570899902 /nfs/dbraw/zinc/89/99/02/570899902.db2.gz HHNXUDPWOOETQU-FQEVSTJZSA-N 0 3 384.520 4.779 50 0 GJAAHN COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1 ZINC000004808459 570997402 /nfs/dbraw/zinc/99/74/02/570997402.db2.gz GTWFZIQZWKDHQG-UHFFFAOYSA-N 0 3 386.511 4.596 50 0 GJAAHN Cc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N3CCCCC3)CC2)c1 ZINC000037554538 571030850 /nfs/dbraw/zinc/03/08/50/571030850.db2.gz WOBPGIQXGXDFOM-UHFFFAOYSA-N 0 3 391.559 4.704 50 0 GJAAHN CN(C)CC(C)(C)NC(=O)c1cccc(-c2ccc3cccc(Cl)c3n2)c1 ZINC000426544585 231239016 /nfs/dbraw/zinc/23/90/16/231239016.db2.gz ZALYELNQGZOYCE-UHFFFAOYSA-N 0 3 381.907 4.625 50 0 GJAAHN COC(Cn1c2ccc(C)cc2c2c1[C@H](NCc1ccccc1)CCC2)OC ZINC000001215825 212229301 /nfs/dbraw/zinc/22/93/01/212229301.db2.gz PFXPDLRBEHXLIW-OAQYLSRUSA-N 0 3 378.516 4.736 50 0 GJAAHN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c3ccccc31)NCC2 ZINC000000718486 212177125 /nfs/dbraw/zinc/17/71/25/212177125.db2.gz IMIMMKUNAQTPIV-DEOSSOPVSA-N 0 3 377.484 4.881 50 0 GJAAHN Cc1[nH]nc(-c2ccc(OCC[NH+]3CCC(C)CC3)cc2[O-])c1-c1ccccc1 ZINC000008771267 206295530 /nfs/dbraw/zinc/29/55/30/206295530.db2.gz NDUQAYUODBNJSU-UHFFFAOYSA-N 0 3 391.515 4.868 50 0 GJAAHN CCCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862335 207065577 /nfs/dbraw/zinc/06/55/77/207065577.db2.gz SRWYOXJMGMOQCJ-UHFFFAOYSA-N 0 3 394.515 4.574 50 0 GJAAHN CSc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000019299844 207115613 /nfs/dbraw/zinc/11/56/13/207115613.db2.gz VPBTVQHPOQBHLF-QFIPXVFZSA-N 0 3 395.616 4.504 50 0 GJAAHN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC(F)(F)F)c1)NCC2 ZINC000019848565 207166139 /nfs/dbraw/zinc/16/61/39/207166139.db2.gz VIFWHSSFBKKRDF-LJQANCHMSA-N 0 3 381.394 4.618 50 0 GJAAHN CSc1cccc(NC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000020889607 207217483 /nfs/dbraw/zinc/21/74/83/207217483.db2.gz LRWDBACCDVZLLI-UHFFFAOYSA-N 0 3 383.561 4.751 50 0 GJAAHN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 ZINC000027583025 207326828 /nfs/dbraw/zinc/32/68/28/207326828.db2.gz XUWZHTHJMFDVOG-OAQYLSRUSA-N 0 3 386.923 4.696 50 0 biogenic GJAAHN CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662511 207328646 /nfs/dbraw/zinc/32/86/46/207328646.db2.gz OJUADLYIVSZNJG-HXUWFJFHSA-N 0 3 386.561 4.882 50 0 GJAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(C)c(C)c2)on1)c1ccccc1 ZINC000032623340 207399257 /nfs/dbraw/zinc/39/92/57/207399257.db2.gz RHKPRRAEVQMEBU-JOCHJYFZSA-N 0 3 391.515 4.771 50 0 GJAAHN Cc1ccc(-n2cc(CN(C)C[C@H]3CCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072438204 208027439 /nfs/dbraw/zinc/02/74/39/208027439.db2.gz YNLARSOBLPOWMV-JOCHJYFZSA-N 0 3 379.479 4.598 50 0 GJAAHN CC(C)[C@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1 ZINC000095968212 208247149 /nfs/dbraw/zinc/24/71/49/208247149.db2.gz XRGUYVBLPUTUHF-GUYCJALGSA-N 0 3 380.273 4.734 50 0 GJAAHN C[C@H](NCc1ccc(F)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925479 208958329 /nfs/dbraw/zinc/95/83/29/208958329.db2.gz GXWCHGSWUPNBSM-LBPRGKRZSA-N 0 3 391.284 4.788 50 0 GJAAHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2F)cc1 ZINC000008474520 221042438 /nfs/dbraw/zinc/04/24/38/221042438.db2.gz PCQBNJSZWMPYIS-UHFFFAOYSA-N 0 3 395.474 4.754 50 0 GJAAHN O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000011952397 221141190 /nfs/dbraw/zinc/14/11/90/221141190.db2.gz XABJZJZGVYYBCU-UHFFFAOYSA-N 0 3 394.906 4.626 50 0 GJAAHN Cc1c([C@@H](C)NCc2c(C)cc(C)cc2-n2cccn2)cnn1-c1ccccc1 ZINC000012300651 221178619 /nfs/dbraw/zinc/17/86/19/221178619.db2.gz JORZPSSEKOIOCZ-LJQANCHMSA-N 0 3 385.515 4.834 50 0 GJAAHN Cc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)n[nH]1 ZINC000012315922 221181237 /nfs/dbraw/zinc/18/12/37/221181237.db2.gz LMCYEGSOYNQVMV-NRFANRHFSA-N 0 3 388.515 4.544 50 0 GJAAHN Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cccn2-c2cccnc2)c1C ZINC000012318568 221181560 /nfs/dbraw/zinc/18/15/60/221181560.db2.gz XDYDWVRZKWWNCV-QHCPKHFHSA-N 0 3 397.526 4.842 50 0 GJAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccco3)C2)cc1 ZINC000012704657 221219729 /nfs/dbraw/zinc/21/97/29/221219729.db2.gz GRFSCBVCSTWTKJ-IBGZPJMESA-N 0 3 390.483 4.806 50 0 GJAAHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000012767658 221229404 /nfs/dbraw/zinc/22/94/04/221229404.db2.gz OHKVWTUMLFIQLC-UHFFFAOYSA-N 0 3 391.298 4.817 50 0 GJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(SC(F)F)cc1 ZINC000013003968 221255445 /nfs/dbraw/zinc/25/54/45/221255445.db2.gz BEVYDCJYSWWTNX-SFHVURJKSA-N 0 3 376.472 4.568 50 0 GJAAHN O=C(CCC1CCN(Cc2cc3ccccc3[nH]2)CC1)NCc1ccc(F)cc1 ZINC000015063975 221327919 /nfs/dbraw/zinc/32/79/19/221327919.db2.gz NLBSWKVDSGTNAI-UHFFFAOYSA-N 0 3 393.506 4.616 50 0 GJAAHN OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cc3ccccc3s2)C1 ZINC000015064644 221327933 /nfs/dbraw/zinc/32/79/33/221327933.db2.gz IYBAOLQNPSBWHS-JOCHJYFZSA-N 0 3 387.495 4.997 50 0 GJAAHN c1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000015069196 221330177 /nfs/dbraw/zinc/33/01/77/221330177.db2.gz LIYNHAMVWOIQCM-UHFFFAOYSA-N 0 3 389.480 4.619 50 0 GJAAHN Clc1ccccc1COc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000016450078 221363145 /nfs/dbraw/zinc/36/31/45/221363145.db2.gz MVBIZUQMODTQKG-UHFFFAOYSA-N 0 3 381.859 4.938 50 0 GJAAHN c1cc([C@@H]2CCCCO2)oc1CN1CCCC12CCN(c1ccccn1)CC2 ZINC000072421292 136169845 /nfs/dbraw/zinc/16/98/45/136169845.db2.gz JIPAPGYFJHAABU-FQEVSTJZSA-N 0 3 381.520 4.551 50 0 GJAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H](OC)C2)cc1 ZINC000072407265 222255481 /nfs/dbraw/zinc/25/54/81/222255481.db2.gz RGHFPOIXVQMGBH-QFIPXVFZSA-N 0 3 376.500 4.830 50 0 GJAAHN CO[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000072418254 222256443 /nfs/dbraw/zinc/25/64/43/222256443.db2.gz YCWLQVJMEOYGDF-QFIPXVFZSA-N 0 3 379.479 4.598 50 0 GJAAHN Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000504196017 533955538 /nfs/dbraw/zinc/95/55/38/533955538.db2.gz QKQZEKKTBGAMSI-NKKJXINNSA-N 0 3 379.500 4.592 50 0 biogenic GJAAHN C[C@H](NC1CCN(c2cccc(-c3cccc(F)c3)c2)CC1)c1ccncn1 ZINC000020118575 570241314 /nfs/dbraw/zinc/24/13/14/570241314.db2.gz RWABOMAEASWVMW-KRWDZBQOSA-N 0 3 376.479 4.602 50 0 GJAAHN Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1CCn1cccn1 ZINC000020861922 570282633 /nfs/dbraw/zinc/28/26/33/570282633.db2.gz RVBLEKUYFGLHRB-QGZVFWFLSA-N 0 3 384.911 4.945 50 0 GJAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2Cl)CC1 ZINC000006877657 570294703 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CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000051682757 222006776 /nfs/dbraw/zinc/00/67/76/222006776.db2.gz NAGYAHJPEKISON-UHFFFAOYSA-N 0 3 391.559 4.745 50 0 GJAAHN CN1CCC(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)CC1 ZINC000072276818 222218643 /nfs/dbraw/zinc/21/86/43/222218643.db2.gz WTCOOIMMJGQPLL-UHFFFAOYSA-N 0 3 395.506 4.879 50 0 GJAAHN CSc1ccc2cc(CN3CC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072428888 222258525 /nfs/dbraw/zinc/25/85/25/222258525.db2.gz FZUTVHGZFMIERS-GOSISDBHSA-N 0 3 384.932 4.844 50 0 GJAAHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000078877879 222298157 /nfs/dbraw/zinc/29/81/57/222298157.db2.gz KVYVOLMPYVHFMZ-XMMPIXPASA-N 0 3 378.560 4.687 50 0 GJAAHN O=C(NCc1nccs1)c1ccc([C@H]2CCCN2C2CCCCC2)s1 ZINC000023505199 526831472 /nfs/dbraw/zinc/83/14/72/526831472.db2.gz HYRUOCGSOFAGKG-OAHLLOKOSA-N 0 3 375.563 4.604 50 0 GJAAHN C[C@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000019889047 570227514 /nfs/dbraw/zinc/22/75/14/570227514.db2.gz 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Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1 ZINC000004979961 570388652 /nfs/dbraw/zinc/38/86/52/570388652.db2.gz CHZRUARDNGCBKD-DYESRHJHSA-N 0 3 388.602 4.799 50 0 GJAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000004898822 570416052 /nfs/dbraw/zinc/41/60/52/570416052.db2.gz KYDXLYCZFCDKCN-OAQYLSRUSA-N 0 3 379.479 4.571 50 0 GJAAHN O=C(NC1CCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005091483 570428618 /nfs/dbraw/zinc/42/86/18/570428618.db2.gz JVRTUIWKVZHPAD-UHFFFAOYSA-N 0 3 376.544 4.814 50 0 GJAAHN CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)c1 ZINC000027662122 570438293 /nfs/dbraw/zinc/43/82/93/570438293.db2.gz ATMCRAZULUMUDK-HSZRJFAPSA-N 0 3 380.532 4.741 50 0 GJAAHN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289302 570455032 /nfs/dbraw/zinc/45/50/32/570455032.db2.gz XBZBEDNUHKAGAN-NRFANRHFSA-N 0 3 382.548 4.806 50 0 GJAAHN C/C(=C\c1ccccc1)CN1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000005826238 570458438 /nfs/dbraw/zinc/45/84/38/570458438.db2.gz 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ZINC000239222111 570428594 /nfs/dbraw/zinc/42/85/94/570428594.db2.gz UJRIBUDZMNUBLS-BMZZKGLRSA-N 0 3 383.532 5.037 50 0 GJAAHN Brc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222606 570432511 /nfs/dbraw/zinc/43/25/11/570432511.db2.gz BFEGJKNLQIYOIO-FQEVSTJZSA-N 0 3 396.332 4.861 50 0 GJAAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027584489 570436767 /nfs/dbraw/zinc/43/67/67/570436767.db2.gz WTFGWQDIFHOEJO-HSZRJFAPSA-N 0 3 380.532 4.741 50 0 GJAAHN Cc1c(Cl)ccc2c(C(=O)NC3CCN(C)CC3)cc(-c3ccccc3)nc12 ZINC000006527099 570465704 /nfs/dbraw/zinc/46/57/04/570465704.db2.gz IWCVDZWJRJDWRH-UHFFFAOYSA-N 0 3 393.918 4.688 50 0 GJAAHN CC(=O)CCc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624525 570508648 /nfs/dbraw/zinc/50/86/48/570508648.db2.gz ZDJWZOVLYUADGD-XMMPIXPASA-N 0 3 380.532 4.989 50 0 biogenic GJAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(OC)c1 ZINC000042881842 570623532 /nfs/dbraw/zinc/62/35/32/570623532.db2.gz PTZAOSRQMFCTFH-GOSISDBHSA-N 0 3 395.478 4.613 50 0 GJAAHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000006824477 570624061 /nfs/dbraw/zinc/62/40/61/570624061.db2.gz ZSANJFUGFUNHSZ-ROUUACIJSA-N 0 3 382.552 4.534 50 0 GJAAHN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000012306356 570639436 /nfs/dbraw/zinc/63/94/36/570639436.db2.gz MZNLASQIBYCHRD-OAQYLSRUSA-N 0 3 389.474 4.738 50 0 GJAAHN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC000006877377 570668432 /nfs/dbraw/zinc/66/84/32/570668432.db2.gz GRVWWWMGNVTZNH-KRWDZBQOSA-N 0 3 383.923 4.642 50 0 GJAAHN Cc1c([C@H](C)NCc2cc(C)ccc2-n2cccn2)cnn1-c1cccc(F)c1 ZINC000012583779 570684468 /nfs/dbraw/zinc/68/44/68/570684468.db2.gz RKGGYACQQZAJDN-KRWDZBQOSA-N 0 3 389.478 4.665 50 0 GJAAHN CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(C)cc2s1 ZINC000004359440 570705867 /nfs/dbraw/zinc/70/58/67/570705867.db2.gz BQQCUOPMMXIHGM-UHFFFAOYSA-N 0 3 381.545 4.522 50 0 GJAAHN CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000058343525 570728446 /nfs/dbraw/zinc/72/84/46/570728446.db2.gz VTJAJAIGHWSCPL-FQEVSTJZSA-N 0 3 388.515 4.611 50 0 GJAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(C)s2)CC1 ZINC000013595602 570761592 /nfs/dbraw/zinc/76/15/92/570761592.db2.gz KTCKKCPJMYCGME-UHFFFAOYSA-N 0 3 387.545 4.671 50 0 GJAAHN CCCOc1c(Cl)cc(CN[C@@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971442 570885289 /nfs/dbraw/zinc/88/52/89/570885289.db2.gz IGOKVFMKQPTQOL-IBGZPJMESA-N 0 3 376.928 4.530 50 0 GJAAHN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12 ZINC000023239930 570991096 /nfs/dbraw/zinc/99/10/96/570991096.db2.gz VJGLTEVNCWGYFI-IBGZPJMESA-N 0 3 390.314 4.518 50 0 GJAAHN CC(C)N(CCN1CCCCCC1)C(=O)c1csc(-c2ccsc2)n1 ZINC000328592949 212083457 /nfs/dbraw/zinc/08/34/57/212083457.db2.gz DFGZWEMUZVNUFL-UHFFFAOYSA-N 0 3 377.579 4.598 50 0 GJAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(SC)cc2)CC1 ZINC000000819297 206324655 /nfs/dbraw/zinc/32/46/55/206324655.db2.gz IVGSRUDKIQQZKN-UHFFFAOYSA-N 0 3 382.573 4.669 50 0 GJAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2 ZINC000005297859 206603900 /nfs/dbraw/zinc/60/39/00/206603900.db2.gz WSYCOLYBQFRUFP-FQEVSTJZSA-N 0 3 381.907 4.614 50 0 GJAAHN Cc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000013041899 206966705 /nfs/dbraw/zinc/96/67/05/206966705.db2.gz CBYRRNXCAPBKMB-SFHVURJKSA-N 0 3 387.483 4.537 50 0 GJAAHN Cc1ccc(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c(C)c1 ZINC000015069937 207044714 /nfs/dbraw/zinc/04/47/14/207044714.db2.gz GEMWYBWOQVGDIH-NRFANRHFSA-N 0 3 397.538 4.861 50 0 GJAAHN CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798088 207237370 /nfs/dbraw/zinc/23/73/70/207237370.db2.gz ZYKSZLIWVVNJSV-UHFFFAOYSA-N 0 3 391.906 4.714 50 0 GJAAHN COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 ZINC000027583030 207327153 /nfs/dbraw/zinc/32/71/53/207327153.db2.gz XUWZHTHJMFDVOG-NRFANRHFSA-N 0 3 386.923 4.696 50 0 biogenic GJAAHN C[C@@]12CN(Cc3ccccc3)C[C@@](C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2 ZINC000032089474 207390968 /nfs/dbraw/zinc/39/09/68/207390968.db2.gz XFBIEFQOOVNSQE-PLQXJYEYSA-N 0 3 387.527 4.542 50 0 GJAAHN Cc1cccc(-n2cc(CN(C)CCC(C)(C)O)c(-c3cccc(F)c3)n2)c1 ZINC000072432377 208024270 /nfs/dbraw/zinc/02/42/70/208024270.db2.gz ZMMSLBWSJXGSFN-UHFFFAOYSA-N 0 3 381.495 4.580 50 0 GJAAHN Cc1ccc(-n2cc(CN(C)C[C@@H]3CCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072438202 208027305 /nfs/dbraw/zinc/02/73/05/208027305.db2.gz YNLARSOBLPOWMV-QFIPXVFZSA-N 0 3 379.479 4.598 50 0 GJAAHN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NC3(CCN(C(C)C)CC3)N2)cc1 ZINC000080324987 208077342 /nfs/dbraw/zinc/07/73/42/208077342.db2.gz PUVJMADWZPURDC-QHCPKHFHSA-N 0 3 395.522 4.559 50 0 GJAAHN CCCCOc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095382016 208172453 /nfs/dbraw/zinc/17/24/53/208172453.db2.gz AVIUWNATFFWANG-FGZHOGPDSA-N 0 3 392.543 4.602 50 0 GJAAHN COC1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012093901 221151314 /nfs/dbraw/zinc/15/13/14/221151314.db2.gz WGLWEQFYEBTXQB-UHFFFAOYSA-N 0 3 375.516 4.767 50 0 GJAAHN c1[nH]nc(C2CCN(Cc3cccc4cccnc43)CC2)c1Cc1ccccc1 ZINC000012151116 221160356 /nfs/dbraw/zinc/16/03/56/221160356.db2.gz NIQFHDAHLKIGNJ-UHFFFAOYSA-N 0 3 382.511 4.928 50 0 GJAAHN O=C(NC[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc21 ZINC000012507306 221200031 /nfs/dbraw/zinc/20/00/31/221200031.db2.gz WGBUMOSOXHQVHO-IBGZPJMESA-N 0 3 376.475 4.621 50 0 GJAAHN COc1ccc(OCCN(C)Cc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000012628152 221215993 /nfs/dbraw/zinc/21/59/93/221215993.db2.gz RLYGIZFJWAQJJW-UHFFFAOYSA-N 0 3 393.512 4.582 50 0 GJAAHN CC(=O)c1cccc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012718626 221220865 /nfs/dbraw/zinc/22/08/65/221220865.db2.gz XKUPIRNRBUHQIQ-XMMPIXPASA-N 0 3 380.507 4.516 50 0 GJAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccoc3)C2)cc1 ZINC000012716904 221220916 /nfs/dbraw/zinc/22/09/16/221220916.db2.gz SBGZDTFANVPYAH-FQEVSTJZSA-N 0 3 390.483 4.806 50 0 GJAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 ZINC000012745414 221223892 /nfs/dbraw/zinc/22/38/92/221223892.db2.gz SIXUVQIMABKYPZ-GOSISDBHSA-N 0 3 392.474 4.728 50 0 GJAAHN Cc1c(Cl)cccc1NC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000013363946 221267235 /nfs/dbraw/zinc/26/72/35/221267235.db2.gz WUIPGKXCMOZGAH-UHFFFAOYSA-N 0 3 389.902 4.821 50 0 GJAAHN O=C(CC[C@H]1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl ZINC000014957817 221320189 /nfs/dbraw/zinc/32/01/89/221320189.db2.gz IOVXAIAEROZHIO-OAHLLOKOSA-N 0 3 390.877 4.791 50 0 GJAAHN COc1ccc(-n2cc(CNCCSC)c(-c3ccccc3Cl)n2)cc1 ZINC000015065157 221327886 /nfs/dbraw/zinc/32/78/86/221327886.db2.gz ICLOQBMYNFLOAE-UHFFFAOYSA-N 0 3 387.936 4.654 50 0 GJAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000015679798 221340232 /nfs/dbraw/zinc/34/02/32/221340232.db2.gz PNWBHWUBDIKVAU-UHFFFAOYSA-N 0 3 383.511 4.961 50 0 GJAAHN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016599656 221366034 /nfs/dbraw/zinc/36/60/34/221366034.db2.gz CBNDNVZCCZRIKE-SFHVURJKSA-N 0 3 399.947 4.805 50 0 GJAAHN CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=N)oc2c1 ZINC000017081798 221380008 /nfs/dbraw/zinc/38/00/08/221380008.db2.gz AEDRWKCHVMKLQJ-UHFFFAOYSA-N 0 3 399.878 4.673 50 0 GJAAHN Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c2ccccc2n1 ZINC000095518898 136181012 /nfs/dbraw/zinc/18/10/12/136181012.db2.gz HQYGNSWMCRMVFJ-IBGZPJMESA-N 0 3 383.499 4.567 50 0 GJAAHN Cc1cc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)ccn1 ZINC000105930534 136191489 /nfs/dbraw/zinc/19/14/89/136191489.db2.gz YGVKZRGLLCDFEU-MOSHPQCFSA-N 0 3 389.842 4.683 50 0 GJAAHN CN(Cc1ccc(F)c2cccnc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058356862 222051202 /nfs/dbraw/zinc/05/12/02/222051202.db2.gz CFYURJGRNNQFBF-AZUAARDMSA-N 0 3 391.273 4.771 50 0 GJAAHN Cc1nc(-c2c(-c3ccccc3)ncn2C[C@H](c2ccco2)N2CCCC2)c[nH]1 ZINC000065375961 222127014 /nfs/dbraw/zinc/12/70/14/222127014.db2.gz AUWQNOXANKRNHS-HXUWFJFHSA-N 0 3 387.487 4.679 50 0 GJAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 ZINC000069250322 222173489 /nfs/dbraw/zinc/17/34/89/222173489.db2.gz WGJBOPYCNLSSOE-IQGVVSCOSA-N 0 3 379.529 4.509 50 0 GJAAHN CCNc1ncc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071708019 222187028 /nfs/dbraw/zinc/18/70/28/222187028.db2.gz CDIGWRMVTHVELC-QGZVFWFLSA-N 0 3 392.469 4.772 50 0 GJAAHN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CN2CCCCC2)cc1 ZINC000004991007 560200348 /nfs/dbraw/zinc/20/03/48/560200348.db2.gz KHNVQJDWUHRVDK-UHFFFAOYSA-N 0 3 393.314 4.997 50 0 in-vitro GJAAHN O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020026991 570235570 /nfs/dbraw/zinc/23/55/70/570235570.db2.gz KDAABDYJDGTGCT-UHFFFAOYSA-N 0 3 378.422 4.775 50 0 GJAAHN CC(C)[C@H]1CN(C)CCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000215404683 570288341 /nfs/dbraw/zinc/28/83/41/570288341.db2.gz UJJUOXNPBJCHNF-JOCHJYFZSA-N 0 3 390.930 4.830 50 0 GJAAHN CCOC(=O)C1CCN([C@H](c2cccs2)c2c(C)[nH]c3ccccc32)CC1 ZINC000021670490 570294170 /nfs/dbraw/zinc/29/41/70/570294170.db2.gz RLTFVCKGLXKDCV-OAQYLSRUSA-N 0 3 382.529 4.902 50 0 GJAAHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 ZINC000006927226 570298667 /nfs/dbraw/zinc/29/86/67/570298667.db2.gz RDZKUDPALZMKLW-GXGKYYTNSA-N 0 3 391.511 4.797 50 0 biogenic GJAAHN Cc1nc2ccccc2nc1CN1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000023337971 570321291 /nfs/dbraw/zinc/32/12/91/570321291.db2.gz GSHWKFCARNBVLE-HXUWFJFHSA-N 0 3 397.526 4.632 50 0 GJAAHN Cc1cc(Oc2nc(N3CCCCC3)nc3c2CN(CC(C)C)CC3)ccc1F ZINC000034755538 570332802 /nfs/dbraw/zinc/33/28/02/570332802.db2.gz LHTXFGNZBBUVLH-UHFFFAOYSA-N 0 3 398.526 4.721 50 0 GJAAHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000004072768 570356743 /nfs/dbraw/zinc/35/67/43/570356743.db2.gz OJPONBYPQIQDFK-FQEVSTJZSA-N 0 3 393.552 4.661 50 0 GJAAHN CN(C)[C@H](CNC(=O)c1ccc2ncsc2c1)c1csc2ccccc21 ZINC000575621863 570370151 /nfs/dbraw/zinc/37/01/51/570370151.db2.gz WGGHSZIUMFZWCN-QGZVFWFLSA-N 0 3 381.526 4.544 50 0 GJAAHN CN(C)[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1csc2ccccc21 ZINC000575622422 570370251 /nfs/dbraw/zinc/37/02/51/570370251.db2.gz YQXKWDCDCSLGJL-GOSISDBHSA-N 0 3 390.911 4.655 50 0 GJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000239038761 570428029 /nfs/dbraw/zinc/42/80/29/570428029.db2.gz DWMBLMXBAOMOLC-JVYGEBFASA-N 0 3 385.551 5.852 50 0 GJAAHN O=C(COc1ccccc1Cl)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662769 570438660 /nfs/dbraw/zinc/43/86/60/570438660.db2.gz WRNJTMBQPMJLJD-KRWDZBQOSA-N 0 3 392.952 4.514 50 0 GJAAHN Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCCCC2)cc1 ZINC000027741275 570440826 /nfs/dbraw/zinc/44/08/26/570440826.db2.gz GTSHYXJWGRBJLR-QHCPKHFHSA-N 0 3 394.559 4.724 50 0 GJAAHN CCCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000027794436 570443052 /nfs/dbraw/zinc/44/30/52/570443052.db2.gz SCSLDPQGAQEDQH-QHCPKHFHSA-N 0 3 380.532 4.741 50 0 GJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000239310105 570456241 /nfs/dbraw/zinc/45/62/41/570456241.db2.gz IBVUWOBSESRAEG-XPGKHFPBSA-N 0 3 389.514 5.906 50 0 GJAAHN N=C1SC(Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005176127 570493647 /nfs/dbraw/zinc/49/36/47/570493647.db2.gz XHWYSFAENWTFOE-CQSZACIVSA-N 0 3 395.709 4.728 50 0 GJAAHN Cc1noc(C)c1CN(C)CCCCCCCCN(C)Cc1c(C)noc1C ZINC000072309102 570530297 /nfs/dbraw/zinc/53/02/97/570530297.db2.gz HIQDXMIGEWUOGY-UHFFFAOYSA-N 0 3 390.572 4.801 50 0 GJAAHN O=C(Nc1cccnc1SCCN1CCCCC1)c1ccccc1Cl ZINC000064754568 570533965 /nfs/dbraw/zinc/53/39/65/570533965.db2.gz UNPLKHANKGPLLY-UHFFFAOYSA-N 0 3 375.925 4.565 50 0 GJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306816 570604333 /nfs/dbraw/zinc/60/43/33/570604333.db2.gz HWSZHUXVSGJKJN-QGZVFWFLSA-N 0 3 397.494 4.611 50 0 GJAAHN COC[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012093360 570608138 /nfs/dbraw/zinc/60/81/38/570608138.db2.gz XXHJQUJABQDDKI-IBGZPJMESA-N 0 3 393.506 4.845 50 0 GJAAHN COc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000042489180 570620548 /nfs/dbraw/zinc/62/05/48/570620548.db2.gz FHDUBMBAUPBRNH-MRXNPFEDSA-N 0 3 383.442 4.743 50 0 GJAAHN 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Cc1ccccc1C[C@@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000012075162 570605398 /nfs/dbraw/zinc/60/53/98/570605398.db2.gz BJCHDZSDZJKGBL-NRFANRHFSA-N 0 3 377.450 4.831 50 0 GJAAHN CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042437770 570619506 /nfs/dbraw/zinc/61/95/06/570619506.db2.gz CIHJFMRGJVQMSP-LJQANCHMSA-N 0 3 379.479 4.994 50 0 GJAAHN COc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000042489178 570620499 /nfs/dbraw/zinc/62/04/99/570620499.db2.gz FHDUBMBAUPBRNH-INIZCTEOSA-N 0 3 383.442 4.743 50 0 GJAAHN CCc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012299386 570635375 /nfs/dbraw/zinc/63/53/75/570635375.db2.gz QNHQLRJWOMKPEQ-SFHVURJKSA-N 0 3 384.520 4.790 50 0 GJAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(OC(F)(F)F)cc2)cc1C ZINC000012305722 570638658 /nfs/dbraw/zinc/63/86/58/570638658.db2.gz LLFUXPANQIOCIZ-UHFFFAOYSA-N 0 3 375.394 4.882 50 0 GJAAHN CC1(C)C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 ZINC000044918579 570643447 /nfs/dbraw/zinc/64/34/47/570643447.db2.gz JDEGGJCTIVLWNV-NRFANRHFSA-N 0 3 378.516 4.705 50 0 GJAAHN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC000006877402 570668293 /nfs/dbraw/zinc/66/82/93/570668293.db2.gz NKJPGMZKWZHFBC-SFHVURJKSA-N 0 3 397.950 4.951 50 0 GJAAHN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000054991740 570678976 /nfs/dbraw/zinc/67/89/76/570678976.db2.gz NXOPRQUIKXFMJJ-LJQANCHMSA-N 0 3 390.449 4.576 50 0 GJAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 ZINC000015953695 570685346 /nfs/dbraw/zinc/68/53/46/570685346.db2.gz HHQJJPINVCIKAC-ZKMPZPQNSA-N 0 3 395.543 4.881 50 0 biogenic GJAAHN C/C=C(\C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000012716936 570704940 /nfs/dbraw/zinc/70/49/40/570704940.db2.gz OXEPFEZFCJAMBX-IJUHEHPCSA-N 0 3 390.955 4.776 50 0 GJAAHN Cc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1Cl ZINC000025383920 570749507 /nfs/dbraw/zinc/74/95/07/570749507.db2.gz HXDXUXRVKVTWHM-GOSISDBHSA-N 0 3 376.953 4.596 50 0 GJAAHN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000013769590 570787423 /nfs/dbraw/zinc/78/74/23/570787423.db2.gz VBYFJVGKRCTMDW-QLBJFCOMSA-N 0 3 395.543 4.881 50 0 GJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000013769588 570787435 /nfs/dbraw/zinc/78/74/35/570787435.db2.gz VBYFJVGKRCTMDW-ICDZXHCJSA-N 0 3 395.543 4.881 50 0 GJAAHN COc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000032751375 570791961 /nfs/dbraw/zinc/79/19/61/570791961.db2.gz APJAKKKZVBIDSG-UHFFFAOYSA-N 0 3 387.483 4.651 50 0 GJAAHN CCSc1ccccc1C(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 ZINC000043972661 570847454 /nfs/dbraw/zinc/84/74/54/570847454.db2.gz PUKZHKWWFRTWMS-UHFFFAOYSA-N 0 3 386.561 4.650 50 0 GJAAHN CSc1ccccc1CN1CCC(CNC(=O)Nc2ccccc2C)CC1 ZINC000043991639 570852680 /nfs/dbraw/zinc/85/26/80/570852680.db2.gz HNYVCMVTRRVGQQ-UHFFFAOYSA-N 0 3 383.561 4.751 50 0 GJAAHN CCCCN(C)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004552825 570880217 /nfs/dbraw/zinc/88/02/17/570880217.db2.gz ALJGMAYETVKWCM-UHFFFAOYSA-N 0 3 394.559 4.736 50 0 GJAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000299757142 570891713 /nfs/dbraw/zinc/89/17/13/570891713.db2.gz NDLGCWBAYVUANT-QFIPXVFZSA-N 0 3 379.504 4.538 50 0 GJAAHN Fc1ccccc1-c1ccc(CNCc2ccc(CN3CCOCC3)cc2)s1 ZINC000096997875 570913999 /nfs/dbraw/zinc/91/39/99/570913999.db2.gz HUUODMXBPSGUQE-UHFFFAOYSA-N 0 3 396.531 4.676 50 0 GJAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c(C)s1 ZINC000046056880 571017127 /nfs/dbraw/zinc/01/71/27/571017127.db2.gz DVQCKWVJGQVSKM-GOSISDBHSA-N 0 3 393.512 4.785 50 0 GJAAHN Brc1csc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000084452234 571018635 /nfs/dbraw/zinc/01/86/35/571018635.db2.gz VYNNSVDNMHKITG-QGZVFWFLSA-N 0 3 380.307 4.523 50 0 GJAAHN COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000015581257 571023751 /nfs/dbraw/zinc/02/37/51/571023751.db2.gz GEVIYNFSQBRCTP-UHFFFAOYSA-N 0 3 387.458 4.977 50 0 GJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000426599575 231245006 /nfs/dbraw/zinc/24/50/06/231245006.db2.gz LMTXGUOXXWPFLQ-DEOSSOPVSA-N 0 3 385.511 4.706 50 0 GJAAHN O=C1C2=C(CCCC2)[C@H](NCCc2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000020130252 207178562 /nfs/dbraw/zinc/17/85/62/207178562.db2.gz VRTGRADPAUZFKI-HSZRJFAPSA-N 0 3 394.946 4.754 50 0 GJAAHN OCC1(CCOc2ccccc2)CCN(Cc2ccc(-c3ccco3)cc2)CC1 ZINC000020992746 207222495 /nfs/dbraw/zinc/22/24/95/207222495.db2.gz DKBSHFQTEKPUET-UHFFFAOYSA-N 0 3 391.511 4.990 50 0 GJAAHN CCN(CCNc1ncnc2onc(-c3ccc(C)cc3)c21)Cc1ccccc1 ZINC000021715090 207235571 /nfs/dbraw/zinc/23/55/71/207235571.db2.gz LRBHYLKTJZHWNL-UHFFFAOYSA-N 0 3 387.487 4.527 50 0 GJAAHN O=C(NCC1CCN(Cc2cccs2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000038489622 207307803 /nfs/dbraw/zinc/30/78/03/207307803.db2.gz IJXXGKADTNXGSG-UHFFFAOYSA-N 0 3 397.466 4.801 50 0 GJAAHN CC(=O)c1cccc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012718627 207331084 /nfs/dbraw/zinc/33/10/84/207331084.db2.gz XKUPIRNRBUHQIQ-DEOSSOPVSA-N 0 3 380.507 4.516 50 0 GJAAHN CSc1ccccc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828570 207367755 /nfs/dbraw/zinc/36/77/55/207367755.db2.gz CXGLHCLTISEDEY-MRXNPFEDSA-N 0 3 395.528 4.758 50 0 GJAAHN CC[C@H]1Oc2cc([C@H](C)NCc3cc(C)nc4ccccc34)ccc2NC1=O ZINC000095985469 208248935 /nfs/dbraw/zinc/24/89/35/208248935.db2.gz QOTPIJQPFQNXHL-YCRPNKLZSA-N 0 3 375.472 4.504 50 0 GJAAHN c1coc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCCCC2)c1 ZINC000008063504 221024492 /nfs/dbraw/zinc/02/44/92/221024492.db2.gz RKQBPVPSBJXPEK-OAQYLSRUSA-N 0 3 399.498 4.924 50 0 GJAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)sc1Cl ZINC000008936774 221063915 /nfs/dbraw/zinc/06/39/15/221063915.db2.gz XXXSZSCZRHMTSJ-UHFFFAOYSA-N 0 3 383.344 4.971 50 0 GJAAHN C[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NCc1ccccc1 ZINC000008705608 221050674 /nfs/dbraw/zinc/05/06/74/221050674.db2.gz YBSFVVVCWVAKNU-CVDCTZTESA-N 0 3 397.522 4.594 50 0 GJAAHN CC1CCN([C@@H](CNC(=O)Nc2ccc(F)cc2F)c2cccs2)CC1 ZINC000009833936 221092850 /nfs/dbraw/zinc/09/28/50/221092850.db2.gz OBXWQNGFBZCDGR-KRWDZBQOSA-N 0 3 379.476 4.621 50 0 GJAAHN COc1cccc(OC)c1-c1cc2c(c(OC)c1)OCCN(C1CCCC1)C2 ZINC000012283678 221174904 /nfs/dbraw/zinc/17/49/04/221174904.db2.gz KFTBJDQWBRLVJV-UHFFFAOYSA-N 0 3 383.488 4.516 50 0 GJAAHN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2cccc3ccccc32)CC1 ZINC000012439081 221195506 /nfs/dbraw/zinc/19/55/06/221195506.db2.gz HNGZNRFAIQEIOK-QFIPXVFZSA-N 0 3 395.543 4.944 50 0 GJAAHN Fc1ccc(-n2cc(CNC[C@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000012372845 221186520 /nfs/dbraw/zinc/18/65/20/221186520.db2.gz VQSYRNOUSCWVHM-GOSISDBHSA-N 0 3 385.870 4.600 50 0 GJAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 ZINC000012745409 221223425 /nfs/dbraw/zinc/22/34/25/221223425.db2.gz SIXUVQIMABKYPZ-SFHVURJKSA-N 0 3 392.474 4.728 50 0 GJAAHN C[C@@H]1CN(c2ccccc2CN2CCCCC[C@@H]2c2ccncc2)C[C@@H](C)O1 ZINC000095453811 136179231 /nfs/dbraw/zinc/17/92/31/136179231.db2.gz VAJSQJIBUOOABE-TXTKFYIRSA-N 0 3 379.548 4.813 50 0 GJAAHN Cc1ccc2nccc(N3CCC[C@H](c4nccn4Cc4ccncc4)C3)c2c1 ZINC000095528698 136181620 /nfs/dbraw/zinc/18/16/20/136181620.db2.gz SBBAXENZPJVIOW-FQEVSTJZSA-N 0 3 383.499 4.567 50 0 GJAAHN Cc1c([C@H](C)NCc2cccc3nonc32)cnn1-c1cccc2ccccc21 ZINC000055568648 222022727 /nfs/dbraw/zinc/02/27/27/222022727.db2.gz FAGNAWBLFKNJFG-HNNXBMFYSA-N 0 3 383.455 4.721 50 0 GJAAHN O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000060374080 222059503 /nfs/dbraw/zinc/05/95/03/222059503.db2.gz MCAPEVUGINJXSI-SFHVURJKSA-N 0 3 388.433 4.683 50 0 GJAAHN Fc1ccc(-c2noc3c2CN(CCc2c[nH]c4ccccc24)CC3)cc1F ZINC000067852113 222162959 /nfs/dbraw/zinc/16/29/59/222162959.db2.gz FZIHXMURMMGIPH-UHFFFAOYSA-N 0 3 379.410 4.702 50 0 GJAAHN COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@@H]1CO ZINC000072479153 222266073 /nfs/dbraw/zinc/26/60/73/222266073.db2.gz OJDQQBDFKKHHKF-GOSISDBHSA-N 0 3 382.891 4.521 50 0 GJAAHN COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC(O)CC1 ZINC000072428039 222258627 /nfs/dbraw/zinc/25/86/27/222258627.db2.gz QWBDBTHKLQXFGR-UHFFFAOYSA-N 0 3 382.891 4.521 50 0 GJAAHN CCCCc1nc2ccccc2c(NC(=O)CNC2CCCCC2)c1CCC ZINC000005808088 521257200 /nfs/dbraw/zinc/25/72/00/521257200.db2.gz SDGDDPZBDRPWTI-UHFFFAOYSA-N 0 3 381.564 4.813 50 0 GJAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(c3ccncc3)C2)cc1 ZINC000096130674 536897332 /nfs/dbraw/zinc/89/73/32/536897332.db2.gz WUDNBKNXZQYHQV-IBGZPJMESA-N 0 3 387.483 4.612 50 0 GJAAHN CCCOc1ccc(N2C(=O)C[C@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 ZINC000020065868 570238542 /nfs/dbraw/zinc/23/85/42/570238542.db2.gz GWURKFAHBSJFLB-NRFANRHFSA-N 0 3 388.552 4.502 50 0 GJAAHN CCCCCN(CCCCC)[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000020150065 570244097 /nfs/dbraw/zinc/24/40/97/570244097.db2.gz NFUXTIHBFFHFGD-OAQYLSRUSA-N 0 3 388.552 4.790 50 0 GJAAHN CCCN1CCC(N(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)CC1 ZINC000004241075 570363868 /nfs/dbraw/zinc/36/38/68/570363868.db2.gz ZGPIIGHHSCOWQU-UHFFFAOYSA-N 0 3 376.544 4.684 50 0 GJAAHN Cc1c2ccccc2sc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000004333145 570368580 /nfs/dbraw/zinc/36/85/80/570368580.db2.gz AEGDDPSFHAWLDN-UHFFFAOYSA-N 0 3 391.462 4.946 50 0 GJAAHN CC(C)c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)cc1 ZINC000004935666 570374130 /nfs/dbraw/zinc/37/41/30/570374130.db2.gz HDTLHLDCEKBIJP-QFIPXVFZSA-N 0 3 375.516 4.775 50 0 GJAAHN Clc1ccc2nc(CCc3ccccc3)nc(NCCN3CCCCC3)c2c1 ZINC000033667788 570393340 /nfs/dbraw/zinc/39/33/40/570393340.db2.gz TYPWSDFVDTZNJD-UHFFFAOYSA-N 0 3 394.950 4.966 50 0 GJAAHN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1F ZINC000004811580 570407680 /nfs/dbraw/zinc/40/76/80/570407680.db2.gz BMEOPVVYOHKHPH-LNVKXUELSA-N 0 3 385.508 4.548 50 0 GJAAHN COc1ccc([C@H](CNC(=O)Nc2cccc3ccccc32)N2CCCC2)cc1 ZINC000011004550 570424857 /nfs/dbraw/zinc/42/48/57/570424857.db2.gz FXNKBNRAYCWCFB-QHCPKHFHSA-N 0 3 389.499 4.807 50 0 GJAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 ZINC000027582046 570436465 /nfs/dbraw/zinc/43/64/65/570436465.db2.gz KNBFSNWQBLTLGI-XMMPIXPASA-N 0 3 394.559 4.724 50 0 GJAAHN CCN(CC)[C@H](CNC(=O)COc1ccccc1C)c1ccc(C(C)(C)C)cc1 ZINC000028290638 570456043 /nfs/dbraw/zinc/45/60/43/570456043.db2.gz BMDDUXFTVZFJOL-JOCHJYFZSA-N 0 3 396.575 4.871 50 0 GJAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000028292082 570456410 /nfs/dbraw/zinc/45/64/10/570456410.db2.gz KSAZRYSJLKUEQG-FQEVSTJZSA-N 0 3 386.561 4.738 50 0 GJAAHN O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)CN1CCc2ccccc2C1 ZINC000028296808 570457722 /nfs/dbraw/zinc/45/77/22/570457722.db2.gz QKFZOMGHFZCHBG-LJQANCHMSA-N 0 3 394.946 4.593 50 0 GJAAHN CCCCc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000006566468 570479043 /nfs/dbraw/zinc/47/90/43/570479043.db2.gz KJGAOFKUIPMQGC-UHFFFAOYSA-N 0 3 381.589 4.980 50 0 GJAAHN COc1cc(C(C)=O)ccc1OCCCCN1CCCC[C@H]1c1cccnc1 ZINC000006624437 570508730 /nfs/dbraw/zinc/50/87/30/570508730.db2.gz RJROGNNLCSDZQC-NRFANRHFSA-N 0 3 382.504 4.679 50 0 biogenic GJAAHN COc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c21)N1CCCC1 ZINC000006646874 570515544 /nfs/dbraw/zinc/51/55/44/570515544.db2.gz LSPNOMINLUJHFL-QGZVFWFLSA-N 0 3 382.533 4.566 50 0 GJAAHN CCN1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000005247215 570527316 /nfs/dbraw/zinc/52/73/16/570527316.db2.gz IQWBSZNVMSTERS-UHFFFAOYSA-N 0 3 399.538 4.599 50 0 GJAAHN Cc1cccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)c1 ZINC000005323619 570553525 /nfs/dbraw/zinc/55/35/25/570553525.db2.gz BXXADVOQZZOIQR-UHFFFAOYSA-N 0 3 397.588 4.881 50 0 GJAAHN CN(C)[C@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000032989055 570576145 /nfs/dbraw/zinc/57/61/45/570576145.db2.gz MDHLUBNTAANHOA-JOCHJYFZSA-N 0 3 382.548 4.562 50 0 GJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307710 570606025 /nfs/dbraw/zinc/60/60/25/570606025.db2.gz QTMZHPGSZWTXIV-QGZVFWFLSA-N 0 3 397.494 4.611 50 0 GJAAHN FC(F)(F)c1cccc(-c2noc(CCCN3CCc4ccccc4C3)n2)c1 ZINC000024992480 570662196 /nfs/dbraw/zinc/66/21/96/570662196.db2.gz BTMZUIBJNUVGJI-UHFFFAOYSA-N 0 3 387.405 4.746 50 0 GJAAHN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)c1 ZINC000012449115 570667756 /nfs/dbraw/zinc/66/77/56/570667756.db2.gz BSOGQQXMOGUYNM-UHFFFAOYSA-N 0 3 385.511 4.908 50 0 GJAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 ZINC000006927227 570708250 /nfs/dbraw/zinc/70/82/50/570708250.db2.gz RDZKUDPALZMKLW-CPCGSPRYSA-N 0 3 391.511 4.797 50 0 biogenic GJAAHN O=C(c1cc(Cl)ccc1Cl)N1CCCN(CCCc2ccccc2)CC1 ZINC000058217481 570720998 /nfs/dbraw/zinc/72/09/98/570720998.db2.gz YTWVTYYJSKELNK-UHFFFAOYSA-N 0 3 391.342 4.774 50 0 GJAAHN CCN1CCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2C)CC1 ZINC000012522288 570828670 /nfs/dbraw/zinc/82/86/70/570828670.db2.gz XEWAOLLAFBVBOZ-UHFFFAOYSA-N 0 3 396.922 4.524 50 0 GJAAHN C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)Nc1ccccc1 ZINC000007547087 570878914 /nfs/dbraw/zinc/87/89/14/570878914.db2.gz SHJHTXDGQCTEGT-OXQOHEQNSA-N 0 3 389.524 4.978 50 0 GJAAHN C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000170629030 570884703 /nfs/dbraw/zinc/88/47/03/570884703.db2.gz LLTGSTOOOURPKS-LJQANCHMSA-N 0 3 394.559 4.705 50 0 GJAAHN CN(C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000071939735 570950173 /nfs/dbraw/zinc/95/01/73/570950173.db2.gz LCWQSYPGUMHBEE-UHFFFAOYSA-N 0 3 384.282 4.728 50 0 GJAAHN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046056769 571016599 /nfs/dbraw/zinc/01/65/99/571016599.db2.gz FCYOGFJCOJASEZ-GOSISDBHSA-N 0 3 393.874 4.760 50 0 GJAAHN