smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CSC(=S)N1c1ccc(Cl)cc1C(F)(F)F ZINC000004745806 181146761 /nfs/dbraw/zinc/14/67/61/181146761.db2.gz XQSDRQKJICYALJ-UHFFFAOYSA-N 0 0 311.737 3.724 40 10 DHCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005339959 181231912 /nfs/dbraw/zinc/23/19/12/181231912.db2.gz XOJUOPLHELTGCW-BOPFTXTBSA-N 0 0 321.336 3.709 40 10 DHCBRN COc1ccc(N2N=C(C)C(=C(C)Nc3ccccc3)C2=O)cc1 ZINC000112110053 256585230 /nfs/dbraw/zinc/58/52/30/256585230.db2.gz WDOXUOGCQKQXHL-AQTBWJFISA-N 0 0 321.380 3.804 40 10 DHCBRN CCCN1C(=O)/C(=C/c2ccc(C)c(OC)c2)SC1=S ZINC000409332558 257220027 /nfs/dbraw/zinc/22/00/27/257220027.db2.gz QGCCRIILSCYNBZ-LCYFTJDESA-N 0 0 307.440 3.615 40 10 DHCBRN CCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)SC1=S ZINC000409148125 257221717 /nfs/dbraw/zinc/22/17/17/257221717.db2.gz YEIDUTQWXQPMNH-JYRVWZFOSA-N 0 0 306.456 3.661 40 10 DHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1C)OCO2 ZINC000408963627 257225529 /nfs/dbraw/zinc/22/55/29/257225529.db2.gz CWVANDNTUYUXJM-SXGWCWSVSA-N 0 0 320.348 3.530 40 10 DHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)C[C@H](C)O2 ZINC000408710781 257227617 /nfs/dbraw/zinc/22/76/17/257227617.db2.gz KEYBVETXBVYDDV-CYUIRQCWSA-N 0 0 318.376 3.816 40 10 DHCBRN Nc1ccc(Oc2cccc(I)c2)cc1 ZINC000034962937 563512648 /nfs/dbraw/zinc/51/26/48/563512648.db2.gz QZORNRHZIGWLSE-UHFFFAOYSA-N 0 0 311.122 3.666 40 10 DHCBRN COc1ccc(N2CCC(Nc3cccc(OC)c3)CC2)cc1 ZINC000585168583 563524724 /nfs/dbraw/zinc/52/47/24/563524724.db2.gz ZPRVTFHHXJMDAL-UHFFFAOYSA-N 0 0 312.413 3.785 40 10 DHCBRN O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(O)c1 ZINC000002451222 563621538 /nfs/dbraw/zinc/62/15/38/563621538.db2.gz XMFRKRXRXVOTLB-NTEUORMPSA-N 0 0 313.403 3.798 40 10 DHCBRN CCN(CC)C(=O)c1ccc(-n2c(C)cc(C(C)=O)c2C)cc1 ZINC000225326995 201695587 /nfs/dbraw/zinc/69/55/87/201695587.db2.gz OWRAUACYHFZKPW-UHFFFAOYSA-N 0 0 312.413 3.779 40 10 DHCBRN CCc1ccc2c(c1)cc1c(c2O)C(=O)c2c(O)cccc2C1=O ZINC000003850732 181050116 /nfs/dbraw/zinc/05/01/16/181050116.db2.gz WSIPHNSDFAPIKV-UHFFFAOYSA-N 0 0 318.328 3.589 40 10 DHCBRN Cc1ccc(O)c(NN=C2C=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=O)c1 ZINC000003861419 181050323 /nfs/dbraw/zinc/05/03/23/181050323.db2.gz FOKSPEFAGGJDHP-CCEZHUSRSA-N 0 0 318.245 3.638 40 10 DHCBRN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(O)cc2)S1 ZINC000004467803 181111617 /nfs/dbraw/zinc/11/16/17/181111617.db2.gz YDXUQFBUJVSXOF-XNTDXEJSSA-N 0 0 310.378 3.783 40 10 DHCBRN COC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004959626 181179816 /nfs/dbraw/zinc/17/98/16/181179816.db2.gz SWLJYNVOYXCVAQ-GRDNDAEWSA-N 0 0 306.365 3.695 40 10 DHCBRN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)OC ZINC000223829968 201657997 /nfs/dbraw/zinc/65/79/97/201657997.db2.gz YJGYKJMLINPIIF-OLZOCXBDSA-N 0 0 305.418 3.739 40 10 DHCBRN COc1ccc(/N=N/C(=S)NNc2ccc(OC)cc2)cc1 ZINC000017860681 182086865 /nfs/dbraw/zinc/08/68/65/182086865.db2.gz AADKNNLBLFUNGR-HTXNQAPBSA-N 0 0 316.386 3.689 40 10 DHCBRN Nc1nc(-c2ccccc2/N=N/N2CCCC2)nc2ccccc12 ZINC000018031777 182090633 /nfs/dbraw/zinc/09/06/33/182090633.db2.gz MPVUVXGYWCUFOB-GHVJWSGMSA-N 0 0 318.384 3.974 40 10 DHCBRN CCCOc1ccccc1/C=C1\SC(=S)N(CC)C1=O ZINC000059175664 257217103 /nfs/dbraw/zinc/21/71/03/257217103.db2.gz UEGVPZFFDDMGOV-RAXLEYEMSA-N 0 0 307.440 3.697 40 10 DHCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000409329227 257219990 /nfs/dbraw/zinc/21/99/90/257219990.db2.gz CLPRWPDZVCLOCA-AVMBBCFPSA-N 0 0 307.440 3.695 40 10 DHCBRN CCCCCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000409201340 257221517 /nfs/dbraw/zinc/22/15/17/257221517.db2.gz LQJRXTLAUHVLNU-QINSGFPZSA-N 0 0 318.442 3.979 40 10 DHCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000409054120 257224335 /nfs/dbraw/zinc/22/43/35/257224335.db2.gz RNROFSLPYOFADF-ZROIWOOFSA-N 0 0 315.419 3.989 40 10 DHCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408940175 257225348 /nfs/dbraw/zinc/22/53/48/257225348.db2.gz UMRGIMKLXYMQOQ-LFIBNONCSA-N 0 0 324.767 3.782 40 10 DHCBRN CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 ZINC000001646965 563289351 /nfs/dbraw/zinc/28/93/51/563289351.db2.gz UEODOTJZRJMPBM-UHFFFAOYSA-N 0 0 315.369 3.665 40 10 DHCBRN Cc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000007558650 563339385 /nfs/dbraw/zinc/33/93/85/563339385.db2.gz NTSLHRYLLBYDQF-UHFFFAOYSA-N 0 0 313.470 3.808 40 10 DHCBRN Cn1ccc([C@H]2CCCCCN2Cc2cc(Cl)ccc2O)n1 ZINC000012154148 563363222 /nfs/dbraw/zinc/36/32/22/563363222.db2.gz PFAUXGGVVFTGCA-MRXNPFEDSA-N 0 0 319.836 3.896 40 10 DHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000013668841 563384726 /nfs/dbraw/zinc/38/47/26/563384726.db2.gz AHPDPMJHHMQATG-UHFFFAOYSA-N 0 0 308.425 3.915 40 10 DHCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000016268547 563411654 /nfs/dbraw/zinc/41/16/54/563411654.db2.gz PHHAJJVDDSTTNX-AUWJEWJLSA-N 0 0 316.357 3.557 40 10 DHCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NC(C)(C)C ZINC000112109227 563651305 /nfs/dbraw/zinc/65/13/05/563651305.db2.gz UEOPOYKXPJWZCT-VBKFSLOCSA-N 0 0 317.408 3.991 40 10 DHCBRN CCCCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000017030952 563675742 /nfs/dbraw/zinc/67/57/42/563675742.db2.gz CHDPJKMGIDHYOF-VBKFSLOCSA-N 0 0 303.381 3.602 40 10 DHCBRN O=C1c2ccccc2C(=O)c2c(Cl)c3ccccc3c(O)c21 ZINC000004792018 181152356 /nfs/dbraw/zinc/15/23/56/181152356.db2.gz ATKQRHBIHGHVAY-UHFFFAOYSA-N 0 0 308.720 3.974 40 10 DHCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374577 181235753 /nfs/dbraw/zinc/23/57/53/181235753.db2.gz CRBHZDUFEBNLHC-HKLRHMNMSA-N 0 0 314.435 3.977 40 10 DHCBRN COC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N ZINC000005611409 181263505 /nfs/dbraw/zinc/26/35/05/181263505.db2.gz UNGJHSQEHLFSCF-UHFFFAOYSA-N 0 0 318.785 3.986 40 10 DHCBRN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1 ZINC000006634226 181362827 /nfs/dbraw/zinc/36/28/27/181362827.db2.gz OKVQEYDMYJQXDD-UHFFFAOYSA-N 0 0 308.761 3.586 40 10 DHCBRN O=C(/C=C/c1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000013667622 181875765 /nfs/dbraw/zinc/87/57/65/181875765.db2.gz SGKGQZROISVVIP-KPKJPENVSA-N 0 0 324.399 3.756 40 10 DHCBRN COc1cccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c1O ZINC000409051192 257224284 /nfs/dbraw/zinc/22/42/84/257224284.db2.gz AAKRQBZHEJZTPU-UKTHLTGXSA-N 0 0 312.296 3.521 40 10 DHCBRN Cc1cc(C)cc(NC(=S)NCCN(C)c2ccccc2)c1 ZINC000016704940 331568668 /nfs/dbraw/zinc/56/86/68/331568668.db2.gz BQQIMJVPKVUHHC-UHFFFAOYSA-N 0 0 313.470 3.726 40 10 DHCBRN COC(=O)c1cc(C)n(-c2ccc(Br)cc2C)c1C ZINC000223704421 563735092 /nfs/dbraw/zinc/73/50/92/563735092.db2.gz KVSGRZFBCJDLRD-UHFFFAOYSA-N 0 0 322.202 3.952 40 10 DHCBRN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21 ZINC000001128326 563277848 /nfs/dbraw/zinc/27/78/48/563277848.db2.gz MHUKBXYJDIIFCE-AHIWAGSCSA-N 0 0 323.352 3.825 40 10 DHCBRN CCc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1 ZINC000008085503 563922121 /nfs/dbraw/zinc/92/21/21/563922121.db2.gz HAKRLBBIGRSQPD-AWEZNQCLSA-N 0 0 307.484 3.676 40 10 DHCBRN COc1cc(/N=N\c2ccc(C(=O)N(C)C)cc2)c(C)cc1N ZINC000102838331 185422977 /nfs/dbraw/zinc/42/29/77/185422977.db2.gz QVGOZIMKODUACB-VXPUYCOJSA-N 0 0 312.373 3.703 40 10 DHCBRN COc1cc2c3c(nc(C)c2cc1OC)-c1ccccc1C3=O ZINC000003468828 181024033 /nfs/dbraw/zinc/02/40/33/181024033.db2.gz ACYZEPAMFPKRSG-UHFFFAOYSA-N 0 0 305.333 3.772 40 10 DHCBRN Cc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000004774774 181150532 /nfs/dbraw/zinc/15/05/32/181150532.db2.gz YOUNKHUSQXZFNZ-ISLYRVAYSA-N 0 0 300.318 3.723 40 10 DHCBRN Nc1cccc2c1C(=O)c1c3ccc4ccccc4c3oc1C2=O ZINC000005002969 181189087 /nfs/dbraw/zinc/18/90/87/181189087.db2.gz RDUKBTHOKFGFDJ-UHFFFAOYSA-N 0 0 313.312 3.944 40 10 DHCBRN CN(C1=NC(=O)/C(=C/C=C/c2ccco2)S1)c1ccccc1 ZINC000005374558 181236015 /nfs/dbraw/zinc/23/60/15/181236015.db2.gz CUKCJRKMMRNFBS-FICCRWLQSA-N 0 0 310.378 3.943 40 10 DHCBRN CCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000210155070 201438540 /nfs/dbraw/zinc/43/85/40/201438540.db2.gz VXHNRBUTQCOMQU-GHRIWEEISA-N 0 0 306.365 3.891 40 10 DHCBRN CC1=NN(c2ccccc2)C(=S)/C1=C/NCc1ccccc1 ZINC000013590627 181866625 /nfs/dbraw/zinc/86/66/25/181866625.db2.gz NRDXKLCWFRBYFE-GHRIWEEISA-N 0 0 307.422 3.884 40 10 DHCBRN Cc1ccc(/N=N/c2c(N)nn3cc4c(nc23)CCCC4)cc1 ZINC000016958955 182066659 /nfs/dbraw/zinc/06/66/59/182066659.db2.gz BIOBOUAUSSZFBX-QZQOTICOSA-N 0 0 306.373 3.914 40 10 DHCBRN CCN1C(=O)/C(=C\c2cccc3ccccc23)C(C(=O)OC)=C1C ZINC000059435700 184138646 /nfs/dbraw/zinc/13/86/46/184138646.db2.gz IVMKONWTVVDBIZ-ATVHPVEESA-N 0 0 321.376 3.532 40 10 DHCBRN CCN1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)SC1=S ZINC000409338710 257220334 /nfs/dbraw/zinc/22/03/34/257220334.db2.gz OUDQBTTXHUCEDT-NTEUORMPSA-N 0 0 316.451 3.708 40 10 DHCBRN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1cccnc1 ZINC000409111946 257222297 /nfs/dbraw/zinc/22/22/97/257222297.db2.gz ARSNBXYNWUSCEK-WQRHYEAKSA-N 0 0 315.376 3.982 40 10 DHCBRN COc1cc(C)c(C=C2SC(=S)NC2=O)cc1C(C)C ZINC000408848444 257226195 /nfs/dbraw/zinc/22/61/95/257226195.db2.gz ZAQLIXBQLYBOGZ-NTUHNPAUSA-N 0 0 307.440 3.616 40 10 DHCBRN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000408737510 257227350 /nfs/dbraw/zinc/22/73/50/257227350.db2.gz UCXLKPTWUCYGEL-GZTJUZNOSA-N 0 0 321.336 3.709 40 10 DHCBRN O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)cccc1Cl ZINC000008117782 563344519 /nfs/dbraw/zinc/34/45/19/563344519.db2.gz RHAOVYAUHYNIGW-LCYFTJDESA-N 0 0 324.808 3.935 40 10 DHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(F)c1 ZINC000049740470 563468436 /nfs/dbraw/zinc/46/84/36/563468436.db2.gz ISGACOLLQZLXCO-UHFFFAOYSA-N 0 0 312.388 3.746 40 10 DHCBRN O=[N+]([O-])c1ccc(NNC(=S)/N=N\c2ccccc2)cc1 ZINC000104092933 563562071 /nfs/dbraw/zinc/56/20/71/563562071.db2.gz RLDAWAIBFRAAJF-PEZBUJJGSA-N 0 0 301.331 3.580 40 10 DHCBRN CC(C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 ZINC000058865682 563770695 /nfs/dbraw/zinc/77/06/95/563770695.db2.gz YNCWQAAZYQXENU-UHFFFAOYSA-N 0 0 314.381 3.954 40 10 DHCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21 ZINC000004450160 181110064 /nfs/dbraw/zinc/11/00/64/181110064.db2.gz SXQGNZRWBGBQJY-ZQIUZPCESA-N 0 0 323.352 3.825 40 10 DHCBRN CN(C)c1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000004824572 181157223 /nfs/dbraw/zinc/15/72/23/181157223.db2.gz HBAWWNWQLGRCOK-YHYXMXQVSA-N 0 0 308.341 3.708 40 10 DHCBRN COc1ccccc1/C=C1\SC(=S)N(C(C)(C)C)C1=O ZINC000005371278 181235389 /nfs/dbraw/zinc/23/53/89/181235389.db2.gz UIALMSLCGUQRAU-XFXZXTDPSA-N 0 0 307.440 3.695 40 10 DHCBRN CCOC(=O)c1sc2ncc3c(c2c1N)CCCCCC3 ZINC000005585748 181260262 /nfs/dbraw/zinc/26/02/62/181260262.db2.gz PCRWBCCXIQLQSY-UHFFFAOYSA-N 0 0 304.415 3.714 40 10 DHCBRN CCOc1ccccc1/N=N/c1c(C)nc(N)nc1OCC ZINC000017141832 182076874 /nfs/dbraw/zinc/07/68/74/182076874.db2.gz CFKDMTUDBVHWCW-FMQUCBEESA-N 0 0 301.350 3.580 40 10 DHCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccn1 ZINC000112109374 256584980 /nfs/dbraw/zinc/58/49/80/256584980.db2.gz CJBOYPAHZAAEGO-JXAWBTAJSA-N 0 0 320.396 3.970 40 10 DHCBRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)OC ZINC000260726399 333592083 /nfs/dbraw/zinc/59/20/83/333592083.db2.gz YJGYKJMLINPIIF-QWHCGFSZSA-N 0 0 305.418 3.739 40 10 DHCBRN Nc1nc(-c2ccccc2/N=N\N2CCCC2)nc2ccccc12 ZINC000104143247 563562502 /nfs/dbraw/zinc/56/25/02/563562502.db2.gz MPVUVXGYWCUFOB-FCQUAONHSA-N 0 0 318.384 3.974 40 10 DHCBRN CC(Nc1ccccc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112107964 563651592 /nfs/dbraw/zinc/65/15/92/563651592.db2.gz WDWOGZUJQNSXOS-ATVHPVEESA-N 0 0 309.344 3.934 40 10 DHCBRN COc1ccc(N(C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000013561585 563660365 /nfs/dbraw/zinc/66/03/65/563660365.db2.gz IQUGTAIUGBCTMZ-UHFFFAOYSA-N 0 0 322.408 3.790 40 10 DHCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3SC(=O)NC3=O)cc21 ZINC000208200995 563700343 /nfs/dbraw/zinc/70/03/43/563700343.db2.gz YEQMANMCZPZQTO-WWNSAXIVSA-N 0 0 316.426 3.733 40 10 DHCBRN CCCNC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225774549 563762946 /nfs/dbraw/zinc/76/29/46/563762946.db2.gz CMYNILHMZLMWEP-HNNXBMFYSA-N 0 0 303.450 3.693 40 10 DHCBRN Cc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 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CCOc1ccccc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409043308 257224108 /nfs/dbraw/zinc/22/41/08/257224108.db2.gz DUPRFIVPTWECJT-ZROIWOOFSA-N 0 0 321.467 3.943 40 10 DHCBRN CCC1(c2ccc3ccccc3n2)C(=O)c2ccccc2C1=O ZINC000408733231 257227466 /nfs/dbraw/zinc/22/74/66/257227466.db2.gz GQVYBPGPVZLQQX-UHFFFAOYSA-N 0 0 301.345 3.962 40 10 DHCBRN CCN1C(=O)/C(=C/c2ccccc2OCC(C)C)SC1=S ZINC000408599999 257228997 /nfs/dbraw/zinc/22/89/97/257228997.db2.gz QNLTWJWSDLCYJF-ZROIWOOFSA-N 0 0 321.467 3.943 40 10 DHCBRN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)OC ZINC000260726392 333592122 /nfs/dbraw/zinc/59/21/22/333592122.db2.gz YJGYKJMLINPIIF-CHWSQXEVSA-N 0 0 305.418 3.739 40 10 DHCBRN C/C(=C1\C(C)=NN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000100061321 563545503 /nfs/dbraw/zinc/54/55/03/563545503.db2.gz NREISMZTTLAEJO-ATVHPVEESA-N 0 0 321.336 3.791 40 10 DHCBRN Cc1nc(N)nc(C)c1/N=N\c1ccc(Br)cc1 ZINC000100183536 563547559 /nfs/dbraw/zinc/54/75/59/563547559.db2.gz FPZAEQYEVHHLCO-ZCXUNETKSA-N 0 0 306.167 3.854 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/nfs/dbraw/zinc/45/89/56/563458956.db2.gz PZKUERLVGQDEBK-YBEGLDIGSA-N 0 0 312.756 3.852 40 10 DHCBRN CCOc1ccc(Cl)cc1NC(=O)Cc1ccc(N)cc1 ZINC000037768693 563573911 /nfs/dbraw/zinc/57/39/11/563573911.db2.gz COWNRMXSEIOAKJ-UHFFFAOYSA-N 0 0 304.777 3.502 40 10 DHCBRN CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118929049 563594205 /nfs/dbraw/zinc/59/42/05/563594205.db2.gz UQQSMHYSBCNCKW-JGCABRRYSA-N 0 0 316.441 3.712 40 10 DHCBRN COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113060 563647049 /nfs/dbraw/zinc/64/70/49/563647049.db2.gz XVKBFVVXSNKNBM-UHFFFAOYSA-N 0 0 324.424 3.616 40 10 DHCBRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000192306667 563677146 /nfs/dbraw/zinc/67/71/46/563677146.db2.gz QLWOJDPQIFQCGN-UHFFFAOYSA-N 0 0 302.805 3.644 40 10 DHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 ZINC000096565163 563774338 /nfs/dbraw/zinc/77/43/38/563774338.db2.gz PUXVWZBGDJMQQN-SDNWHVSQSA-N 0 0 304.415 3.589 40 10 DHCBRN Nc1nn2cc3c(nc2c1/N=N\c1ccccc1)CCCCC3 ZINC000104226624 563960411 /nfs/dbraw/zinc/96/04/11/563960411.db2.gz PIPPPMFXZMNWRO-MRCUWXFGSA-N 0 0 306.373 3.996 40 10 DHCBRN CCCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000003156603 180987285 /nfs/dbraw/zinc/98/72/85/180987285.db2.gz AVKJLYHKAYUVBF-RAXLEYEMSA-N 0 0 307.440 3.697 40 10 DHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cccnc3)S2)c(C)c1 ZINC000005850503 181289893 /nfs/dbraw/zinc/28/98/93/181289893.db2.gz LHVHFESUYZABFZ-OQLLNIDSSA-N 0 0 309.394 3.781 40 10 DHCBRN CCCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1CCC ZINC000017054341 182072190 /nfs/dbraw/zinc/07/21/90/182072190.db2.gz QDLWVJZILDJJCD-LGMDPLHJSA-N 0 0 317.408 3.992 40 10 DHCBRN Oc1cc2c(cc1O)[C@@H](c1c(Cl)cccc1Cl)NCC2 ZINC000019691292 182137823 /nfs/dbraw/zinc/13/78/23/182137823.db2.gz YZFLIUNMFUXOHW-HNNXBMFYSA-N 0 0 310.180 3.640 40 10 DHCBRN CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=S ZINC000409006002 257224917 /nfs/dbraw/zinc/22/49/17/257224917.db2.gz ICUZWOODOHOXAT-XFFZJAGNSA-N 0 0 313.831 3.570 40 10 DHCBRN O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 ZINC000408605085 257229132 /nfs/dbraw/zinc/22/91/32/257229132.db2.gz WTHKAHQGOVTHEM-SDQBBNPISA-N 0 0 323.345 3.714 40 10 DHCBRN CCOc1ccccc1NN=C1C=C(CO)C(=O)C(OC)=C1 ZINC000070462000 563812725 /nfs/dbraw/zinc/81/27/25/563812725.db2.gz UCYDFMUXLUGUQB-ISLYRVAYSA-N 0 0 302.330 3.707 40 10 DHCBRN O=C1C[C@H](C2CCCCC2)C(=O)c2cc3cccnc3c(O)c21 ZINC000013222984 563379517 /nfs/dbraw/zinc/37/95/17/563379517.db2.gz GUMHWBAGAFSDMP-CYBMUJFWSA-N 0 0 309.365 3.906 40 10 DHCBRN Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000013671916 563385568 /nfs/dbraw/zinc/38/55/68/563385568.db2.gz FJROXRGIVDEAJV-UHFFFAOYSA-N 0 0 322.452 3.844 40 10 DHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000028336551 563431515 /nfs/dbraw/zinc/43/15/15/563431515.db2.gz XMIULWDXUDJWFG-UHFFFAOYSA-N 0 0 308.425 3.834 40 10 DHCBRN C[C@@H](NC(=O)c1cccnc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225430853 563754743 /nfs/dbraw/zinc/75/47/43/563754743.db2.gz MWBVJPQKMPRWBC-MRXNPFEDSA-N 0 0 323.440 3.809 40 10 DHCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)cc1 ZINC000208567895 563924411 /nfs/dbraw/zinc/92/44/11/563924411.db2.gz LWKZIXQUPBUGJQ-RIYZIHGNSA-N 0 0 313.334 3.678 40 10 DHCBRN Nc1nn2cc3c(nc2c1/N=N\c1ccc(Cl)cc1)CCC3 ZINC000104226595 563960498 /nfs/dbraw/zinc/96/04/98/563960498.db2.gz HTTPMVXMOFJCSV-VXPUYCOJSA-N 0 0 312.764 3.869 40 10 DHCBRN