smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc(NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)[nH]c1=O ZINC000011045812 1070375819 /nfs/dbraw/zinc/37/58/19/1070375819.db2.gz VJVGKJDHGGICFH-UHFFFAOYSA-N 0 2 459.941 0.461 20 10 JCCDLN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019095883 1069457606 /nfs/dbraw/zinc/45/76/06/1069457606.db2.gz QVLPLLODUOVOSP-GFCCVEGCSA-N 0 2 488.594 0.958 20 10 JCCDLN O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019095885 1069457666 /nfs/dbraw/zinc/45/76/66/1069457666.db2.gz QVLPLLODUOVOSP-LBPRGKRZSA-N 0 2 488.594 0.958 20 10 JCCDLN O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3cccc4nsnc43)c2)CCN1 ZINC000032631812 1068067753 /nfs/dbraw/zinc/06/77/53/1068067753.db2.gz BRYVZENZHUOEJR-UHFFFAOYSA-N 0 2 453.527 0.613 20 10 JCCDLN CN1CCN(S(=O)(=O)N2CC[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC2)CC1 ZINC000728194500 1067661982 /nfs/dbraw/zinc/66/19/82/1067661982.db2.gz ABTVFHLJMLOPBC-UHFFFAOYSA-N 0 2 474.583 0.939 20 10 JCCDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000730533477 1069756662 /nfs/dbraw/zinc/75/66/62/1069756662.db2.gz GBOJESSOCIRYIK-UHFFFAOYSA-N 0 2 463.477 0.643 20 10 JCCDLN Cc1cc(C(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000730659250 1069768508 /nfs/dbraw/zinc/76/85/08/1069768508.db2.gz TZKHQFXZOACPTK-UHFFFAOYSA-N 0 2 484.494 0.552 20 10 JCCDLN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@H](C)O1 ZINC000730659858 1069768917 /nfs/dbraw/zinc/76/89/17/1069768917.db2.gz UCWFLQFWLQYLLC-KBPBESRZSA-N 0 2 472.477 0.684 20 10 JCCDLN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@H](C)O1 ZINC000730659859 1069768821 /nfs/dbraw/zinc/76/88/21/1069768821.db2.gz UCWFLQFWLQYLLC-OKILXGFUSA-N 0 2 472.477 0.684 20 10 JCCDLN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@@H](C)O1 ZINC000730659860 1069769838 /nfs/dbraw/zinc/76/98/38/1069769838.db2.gz UCWFLQFWLQYLLC-ZIAGYGMSSA-N 0 2 472.477 0.684 20 10 JCCDLN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)cc1 ZINC000917127897 1068201799 /nfs/dbraw/zinc/20/17/99/1068201799.db2.gz LJALJYQXTQWGJQ-UHFFFAOYSA-N 0 2 465.557 0.966 20 10 JCCDLN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C4=S=CC=C4)n[nH]3)cc2)CC1 ZINC000917128208 1068201912 /nfs/dbraw/zinc/20/19/12/1068201912.db2.gz VQIWQOSEPRPPHU-UHFFFAOYSA-N 0 2 460.541 0.536 20 10 JCCDLN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000918179267 1068367630 /nfs/dbraw/zinc/36/76/30/1068367630.db2.gz CKBTTWNCAZDBJW-UHFFFAOYSA-N 0 2 472.542 0.220 20 10 JCCDLN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)NC1=S ZINC000920976114 1068933392 /nfs/dbraw/zinc/93/33/92/1068933392.db2.gz GSFSWWJWKTZJPG-KAMYIIQDSA-N 0 2 462.513 0.463 20 10 JCCDLN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)NC1=S ZINC000920976121 1068933629 /nfs/dbraw/zinc/93/36/29/1068933629.db2.gz GSFSWWJWKTZJPG-SDNWHVSQSA-N 0 2 462.513 0.463 20 10 JCCDLN Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)n(-c3ccccc3)[n-]1)C2 ZINC001147885691 1070553100 /nfs/dbraw/zinc/55/31/00/1070553100.db2.gz XSHKVBMBKSUAOX-GOSISDBHSA-N 0 2 466.542 0.988 20 10 JCCDLN Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)n(-c3ccccc3)[n-]1)C2 ZINC001147885692 1070552916 /nfs/dbraw/zinc/55/29/16/1070552916.db2.gz XSHKVBMBKSUAOX-SFHVURJKSA-N 0 2 466.542 0.988 20 10 JCCDLN C[NH+]1CCN(CC(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001178952386 1068518478 /nfs/dbraw/zinc/51/84/78/1068518478.db2.gz HOUYZUKIUIEIHM-UHFFFAOYSA-N 0 2 475.479 0.306 20 10 JCCDLN CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185540977 1068995007 /nfs/dbraw/zinc/99/50/07/1068995007.db2.gz FUUJKPFTJBRJKR-RXMQYKEDSA-N 0 2 489.418 0.951 20 10 JCCDLN CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185540978 1068994671 /nfs/dbraw/zinc/99/46/71/1068994671.db2.gz FUUJKPFTJBRJKR-YFKPBYRVSA-N 0 2 489.418 0.951 20 10 JCCDLN O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185541880 1068994746 /nfs/dbraw/zinc/99/47/46/1068994746.db2.gz MAKRTVHWATZVHY-HZMBPMFUSA-N 0 2 458.423 0.430 20 10 JCCDLN O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185541884 1068994620 /nfs/dbraw/zinc/99/46/20/1068994620.db2.gz MAKRTVHWATZVHY-IINYFYTJSA-N 0 2 458.423 0.430 20 10 JCCDLN O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185541885 1068994460 /nfs/dbraw/zinc/99/44/60/1068994460.db2.gz MAKRTVHWATZVHY-QMTHXVAHSA-N 0 2 458.423 0.430 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001185541886 1068994514 /nfs/dbraw/zinc/99/45/14/1068994514.db2.gz MAKRTVHWATZVHY-YGRLFVJLSA-N 0 2 458.423 0.430 20 10 JCCDLN O=C(Nc1cncc(N2CCOCC2)n1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542282 1068994286 /nfs/dbraw/zinc/99/42/86/1068994286.db2.gz QSFFFUOEYDHREV-SECBINFHSA-N 0 2 454.395 0.845 20 10 JCCDLN O=C(Nc1cncc(N2CCOCC2)n1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542286 1068994708 /nfs/dbraw/zinc/99/47/08/1068994708.db2.gz QSFFFUOEYDHREV-VIFPVBQESA-N 0 2 454.395 0.845 20 10 JCCDLN O=C(Nc1nccnc1N1CCOCC1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542377 1068995947 /nfs/dbraw/zinc/99/59/47/1068995947.db2.gz RNCBJEATSNJILE-SECBINFHSA-N 0 2 454.395 0.845 20 10 JCCDLN O=C(Nc1nccnc1N1CCOCC1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542378 1068995393 /nfs/dbraw/zinc/99/53/93/1068995393.db2.gz RNCBJEATSNJILE-VIFPVBQESA-N 0 2 454.395 0.845 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(c2ncc(O)cn2)CC1 ZINC001185546032 1068995746 /nfs/dbraw/zinc/99/57/46/1068995746.db2.gz BEWWPBDTIXVOOB-JTQLQIEISA-N 0 2 454.395 0.424 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(c2ncc(O)cn2)CC1 ZINC001185546033 1068995440 /nfs/dbraw/zinc/99/54/40/1068995440.db2.gz BEWWPBDTIXVOOB-SNVBAGLBSA-N 0 2 454.395 0.424 20 10 JCCDLN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185546091 1068995834 /nfs/dbraw/zinc/99/58/34/1068995834.db2.gz BAIFXEPJAAENSL-NXEZZACHSA-N 0 2 470.438 0.964 20 10 JCCDLN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185546092 1068995597 /nfs/dbraw/zinc/99/55/97/1068995597.db2.gz BAIFXEPJAAENSL-UWVGGRQHSA-N 0 2 470.438 0.964 20 10 JCCDLN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185546094 1068995502 /nfs/dbraw/zinc/99/55/02/1068995502.db2.gz BAIFXEPJAAENSL-VHSXEESVSA-N 0 2 470.438 0.964 20 10 JCCDLN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185546096 1068995532 /nfs/dbraw/zinc/99/55/32/1068995532.db2.gz BAIFXEPJAAENSL-ZJUUUORDSA-N 0 2 470.438 0.964 20 10 JCCDLN CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c31)CC2 ZINC001185546108 1068995333 /nfs/dbraw/zinc/99/53/33/1068995333.db2.gz BCMGCMMMKPQOEH-GFCCVEGCSA-N 0 2 485.493 0.783 20 10 JCCDLN CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c31)CC2 ZINC001185546108 1068995304 /nfs/dbraw/zinc/99/53/04/1068995304.db2.gz BCMGCMMMKPQOEH-GFCCVEGCSA-N 0 2 485.493 0.783 20 10 JCCDLN CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c31)CC2 ZINC001185546109 1068995372 /nfs/dbraw/zinc/99/53/72/1068995372.db2.gz BCMGCMMMKPQOEH-LBPRGKRZSA-N 0 2 485.493 0.783 20 10 JCCDLN CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c31)CC2 ZINC001185546109 1068995367 /nfs/dbraw/zinc/99/53/67/1068995367.db2.gz BCMGCMMMKPQOEH-LBPRGKRZSA-N 0 2 485.493 0.783 20 10 JCCDLN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)C[C@@H]21 ZINC001185546324 1068995792 /nfs/dbraw/zinc/99/57/92/1068995792.db2.gz BTXGWWJSKFLDEC-DDFXLWFNSA-N 0 2 486.477 0.922 20 10 JCCDLN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)C[C@@H]21 ZINC001185546334 1068995978 /nfs/dbraw/zinc/99/59/78/1068995978.db2.gz BTXGWWJSKFLDEC-QQHRNGFRSA-N 0 2 486.477 0.922 20 10 JCCDLN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)C[C@H]21 ZINC001185546648 1068995882 /nfs/dbraw/zinc/99/58/82/1068995882.db2.gz FDUDWCFOBUCUDA-DSKWVYQCSA-N 0 2 472.450 0.579 20 10 JCCDLN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)C[C@H]21 ZINC001185546649 1068995646 /nfs/dbraw/zinc/99/56/46/1068995646.db2.gz FDUDWCFOBUCUDA-GOMXZESMSA-N 0 2 472.450 0.579 20 10 JCCDLN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)[C@H]2C1 ZINC001185546891 1068996478 /nfs/dbraw/zinc/99/64/78/1068996478.db2.gz FRKNHMPCKWZYMV-FOGDFJRCSA-N 0 2 478.479 0.462 20 10 JCCDLN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)[C@H]2C1 ZINC001185546892 1068996363 /nfs/dbraw/zinc/99/63/63/1068996363.db2.gz FRKNHMPCKWZYMV-SCVCMEIPSA-N 0 2 478.479 0.462 20 10 JCCDLN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185547013 1068996632 /nfs/dbraw/zinc/99/66/32/1068996632.db2.gz GKJAMSADSQAQLJ-GHMZBOCLSA-N 0 2 460.439 0.724 20 10 JCCDLN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185547020 1068996836 /nfs/dbraw/zinc/99/68/36/1068996836.db2.gz GKJAMSADSQAQLJ-MNOVXSKESA-N 0 2 460.439 0.724 20 10 JCCDLN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185547021 1068996967 /nfs/dbraw/zinc/99/69/67/1068996967.db2.gz GKJAMSADSQAQLJ-QWRGUYRKSA-N 0 2 460.439 0.724 20 10 JCCDLN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185547022 1068996734 /nfs/dbraw/zinc/99/67/34/1068996734.db2.gz GKJAMSADSQAQLJ-WDEREUQCSA-N 0 2 460.439 0.724 20 10 JCCDLN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCC1=O ZINC001185547025 1068996601 /nfs/dbraw/zinc/99/66/01/1068996601.db2.gz GKMXTBLNJQEBEI-NXEZZACHSA-N 0 2 459.407 0.951 20 10 JCCDLN CCOC(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCC1=O ZINC001185547028 1068997006 /nfs/dbraw/zinc/99/70/06/1068997006.db2.gz GKMXTBLNJQEBEI-UWVGGRQHSA-N 0 2 459.407 0.951 20 10 JCCDLN CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCC1=O ZINC001185547031 1068996926 /nfs/dbraw/zinc/99/69/26/1068996926.db2.gz GKMXTBLNJQEBEI-VHSXEESVSA-N 0 2 459.407 0.951 20 10 JCCDLN CCOC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCC1=O ZINC001185547033 1068996551 /nfs/dbraw/zinc/99/65/51/1068996551.db2.gz GKMXTBLNJQEBEI-ZJUUUORDSA-N 0 2 459.407 0.951 20 10 JCCDLN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)cn1 ZINC001185547038 1068996440 /nfs/dbraw/zinc/99/64/40/1068996440.db2.gz GLFSTBVKJPQPJF-FPMFFAJLSA-N 0 2 494.460 0.829 20 10 JCCDLN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)cn1 ZINC001185547042 1068996887 /nfs/dbraw/zinc/99/68/87/1068996887.db2.gz GLFSTBVKJPQPJF-KWCYVHTRSA-N 0 2 494.460 0.829 20 10 JCCDLN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCO2 ZINC001185547296 1068996577 /nfs/dbraw/zinc/99/65/77/1068996577.db2.gz ISOTUCMPKFWKNZ-DAOPMYJZSA-N 0 2 472.450 0.820 20 10 JCCDLN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCO2 ZINC001185547299 1068996776 /nfs/dbraw/zinc/99/67/76/1068996776.db2.gz ISOTUCMPKFWKNZ-MYODQAERSA-N 0 2 472.450 0.820 20 10 JCCDLN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCO2 ZINC001185547301 1068997947 /nfs/dbraw/zinc/99/79/47/1068997947.db2.gz ISOTUCMPKFWKNZ-SFDCACGMSA-N 0 2 472.450 0.820 20 10 JCCDLN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCO2 ZINC001185547303 1068997387 /nfs/dbraw/zinc/99/73/87/1068997387.db2.gz ISOTUCMPKFWKNZ-SPSFWMDKSA-N 0 2 472.450 0.820 20 10 JCCDLN O=C(N[C@@H]1CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)[C@@H]2COC[C@H]12)C1CCC1 ZINC001185547573 1068998037 /nfs/dbraw/zinc/99/80/37/1068998037.db2.gz KKUBFXAVXKKUNA-FMKGYKFTSA-N 0 2 484.461 0.722 20 10 JCCDLN O=C(N[C@@H]1CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)[C@@H]2COC[C@H]12)C1CCC1 ZINC001185547574 1068997624 /nfs/dbraw/zinc/99/76/24/1068997624.db2.gz KKUBFXAVXKKUNA-IGHBBLSQSA-N 0 2 484.461 0.722 20 10 JCCDLN CCN1C[C@H]2CCN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)CC[C@H]2S1(=O)=O ZINC001185547597 1068997918 /nfs/dbraw/zinc/99/79/18/1068997918.db2.gz KVFDFBNPIFGYRT-JRPNMDOOSA-N 0 2 492.506 0.852 20 10 JCCDLN CCN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)CC[C@H]2S1(=O)=O ZINC001185547598 1068997726 /nfs/dbraw/zinc/99/77/26/1068997726.db2.gz KVFDFBNPIFGYRT-UEKVPHQBSA-N 0 2 492.506 0.852 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001185547599 1068997861 /nfs/dbraw/zinc/99/78/61/1068997861.db2.gz KWGVLPNRUFUDTL-SECBINFHSA-N 0 2 456.407 0.625 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001185547600 1068997761 /nfs/dbraw/zinc/99/77/61/1068997761.db2.gz KWGVLPNRUFUDTL-VIFPVBQESA-N 0 2 456.407 0.625 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001185547647 1068997831 /nfs/dbraw/zinc/99/78/31/1068997831.db2.gz IZSYKHMUAWDNEX-KGYLQXTDSA-N 0 2 462.430 0.851 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001185547648 1068997500 /nfs/dbraw/zinc/99/75/00/1068997500.db2.gz IZSYKHMUAWDNEX-WCFLWFBJSA-N 0 2 462.430 0.851 20 10 JCCDLN CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185547777 1068997584 /nfs/dbraw/zinc/99/75/84/1068997584.db2.gz MBUTUHFTMFFJPC-LLVKDONJSA-N 0 2 480.495 0.159 20 10 JCCDLN CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185547785 1068997678 /nfs/dbraw/zinc/99/76/78/1068997678.db2.gz MBUTUHFTMFFJPC-NSHDSACASA-N 0 2 480.495 0.159 20 10 JCCDLN O=C(COC1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)NC1CC1 ZINC001185547841 1068997546 /nfs/dbraw/zinc/99/75/46/1068997546.db2.gz MKGSRDZDZVNHMG-GFCCVEGCSA-N 0 2 472.450 0.866 20 10 JCCDLN O=C(COC1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)NC1CC1 ZINC001185547843 1068997890 /nfs/dbraw/zinc/99/78/90/1068997890.db2.gz MKGSRDZDZVNHMG-LBPRGKRZSA-N 0 2 472.450 0.866 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001185547846 1068997977 /nfs/dbraw/zinc/99/79/77/1068997977.db2.gz MMSGOQXGSDYJEA-HCKVZZMMSA-N 0 2 480.433 0.486 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001185547854 1068997797 /nfs/dbraw/zinc/99/77/97/1068997797.db2.gz MMSGOQXGSDYJEA-NVBFEUDRSA-N 0 2 480.433 0.486 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001185547891 1068998008 /nfs/dbraw/zinc/99/80/08/1068998008.db2.gz NBHSYGJZKZCHQN-SSDOTTSWSA-N 0 2 456.329 0.813 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001185547892 1068997418 /nfs/dbraw/zinc/99/74/18/1068997418.db2.gz NBHSYGJZKZCHQN-ZETCQYMHSA-N 0 2 456.329 0.813 20 10 JCCDLN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185547895 1068998492 /nfs/dbraw/zinc/99/84/92/1068998492.db2.gz NCMNFBRXRQOHAO-LWDFAEAOSA-N 0 2 479.419 0.196 20 10 JCCDLN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185547896 1068998577 /nfs/dbraw/zinc/99/85/77/1068998577.db2.gz NCMNFBRXRQOHAO-OLZHXRBTSA-N 0 2 479.419 0.196 20 10 JCCDLN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185547897 1068998440 /nfs/dbraw/zinc/99/84/40/1068998440.db2.gz NCMNFBRXRQOHAO-RZFDWDHBSA-N 0 2 479.419 0.196 20 10 JCCDLN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185547898 1068998700 /nfs/dbraw/zinc/99/87/00/1068998700.db2.gz NCMNFBRXRQOHAO-ZCIGJURXSA-N 0 2 479.419 0.196 20 10 JCCDLN Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C[C@@H]3C2=O)cn1 ZINC001185547917 1068998757 /nfs/dbraw/zinc/99/87/57/1068998757.db2.gz NRURLXMQEXYMCR-GAFUQQFSSA-N 0 2 480.433 0.435 20 10 JCCDLN Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C[C@@H]3C2=O)cn1 ZINC001185547918 1068999044 /nfs/dbraw/zinc/99/90/44/1068999044.db2.gz NRURLXMQEXYMCR-NDMJEZRESA-N 0 2 480.433 0.435 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001185547945 1068998931 /nfs/dbraw/zinc/99/89/31/1068998931.db2.gz LJUMJBSRNPULRA-GFCCVEGCSA-N 0 2 492.506 0.996 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001185547946 1068998526 /nfs/dbraw/zinc/99/85/26/1068998526.db2.gz LJUMJBSRNPULRA-LBPRGKRZSA-N 0 2 492.506 0.996 20 10 JCCDLN COc1cc(N2CCN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)CC2)ncn1 ZINC001185547979 1068998870 /nfs/dbraw/zinc/99/88/70/1068998870.db2.gz MCHIUCVETRNQCT-JTQLQIEISA-N 0 2 468.422 0.727 20 10 JCCDLN COc1cc(N2CCN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c43)CC2)ncn1 ZINC001185547980 1068999089 /nfs/dbraw/zinc/99/90/89/1068999089.db2.gz MCHIUCVETRNQCT-SNVBAGLBSA-N 0 2 468.422 0.727 20 10 JCCDLN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185548046 1068998597 /nfs/dbraw/zinc/99/85/97/1068998597.db2.gz NUSXELNIUOTRJF-LLVKDONJSA-N 0 2 459.455 0.249 20 10 JCCDLN CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185548053 1068998552 /nfs/dbraw/zinc/99/85/52/1068998552.db2.gz NUSXELNIUOTRJF-NSHDSACASA-N 0 2 459.455 0.249 20 10 JCCDLN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c42)C3)n1 ZINC001185548119 1068986276 /nfs/dbraw/zinc/98/62/76/1068986276.db2.gz OJDYMZDXNOWGIQ-BNJANLQDSA-N 0 2 469.406 0.698 20 10 JCCDLN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2CC(=O)c4oc(=O)c5cc(O)c(O)c(O)c5c42)C3)n1 ZINC001185548121 1068986136 /nfs/dbraw/zinc/98/61/36/1068986136.db2.gz OJDYMZDXNOWGIQ-VUHZHCFISA-N 0 2 469.406 0.698 20 10 JCCDLN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185548406 1068987214 /nfs/dbraw/zinc/98/72/14/1068987214.db2.gz PNTBAAMHGUUKEK-MRVPVSSYSA-N 0 2 470.394 0.390 20 10 JCCDLN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185548408 1068987001 /nfs/dbraw/zinc/98/70/01/1068987001.db2.gz PNTBAAMHGUUKEK-QMMMGPOBSA-N 0 2 470.394 0.390 20 10 JCCDLN O=C(CN1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)N1CCCC1 ZINC001185548522 1068986965 /nfs/dbraw/zinc/98/69/65/1068986965.db2.gz PYJXUBZXFVVAQA-GFCCVEGCSA-N 0 2 471.466 0.346 20 10 JCCDLN O=C(CN1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)N1CCCC1 ZINC001185548531 1068987093 /nfs/dbraw/zinc/98/70/93/1068987093.db2.gz PYJXUBZXFVVAQA-LBPRGKRZSA-N 0 2 471.466 0.346 20 10 JCCDLN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185548574 1068987068 /nfs/dbraw/zinc/98/70/68/1068987068.db2.gz QGWYEQAQQNBBGZ-LLVKDONJSA-N 0 2 497.464 0.582 20 10 JCCDLN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)C2 ZINC001185548597 1068987039 /nfs/dbraw/zinc/98/70/39/1068987039.db2.gz QGWYEQAQQNBBGZ-NSHDSACASA-N 0 2 497.464 0.582 20 10 JCCDLN O=C(NC1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)N1CCOCC1 ZINC001185548651 1068987370 /nfs/dbraw/zinc/98/73/70/1068987370.db2.gz OVIHXYTXFAOLPP-GFCCVEGCSA-N 0 2 487.465 0.613 20 10 JCCDLN O=C(NC1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1)N1CCOCC1 ZINC001185548675 1068987340 /nfs/dbraw/zinc/98/73/40/1068987340.db2.gz OVIHXYTXFAOLPP-LBPRGKRZSA-N 0 2 487.465 0.613 20 10 JCCDLN CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCC2 ZINC001185548735 1068986784 /nfs/dbraw/zinc/98/67/84/1068986784.db2.gz QSXBWPYOHLEVOE-LLVKDONJSA-N 0 2 482.449 0.845 20 10 JCCDLN CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CCC2 ZINC001185548738 1068986716 /nfs/dbraw/zinc/98/67/16/1068986716.db2.gz QSXBWPYOHLEVOE-NSHDSACASA-N 0 2 482.449 0.845 20 10 JCCDLN Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C3)CC2=O)cn1 ZINC001185548868 1068987173 /nfs/dbraw/zinc/98/71/73/1068987173.db2.gz RDELIYZGPGRNQA-FNODVLLQSA-N 0 2 494.460 0.969 20 10 JCCDLN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C3)CC2=O)cn1 ZINC001185548869 1068986895 /nfs/dbraw/zinc/98/68/95/1068986895.db2.gz RDELIYZGPGRNQA-MCFWBGNESA-N 0 2 494.460 0.969 20 10 JCCDLN Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C3)CC2=O)cn1 ZINC001185548870 1068986675 /nfs/dbraw/zinc/98/66/75/1068986675.db2.gz RDELIYZGPGRNQA-OIRASMEMSA-N 0 2 494.460 0.969 20 10 JCCDLN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C3)CC2=O)cn1 ZINC001185548871 1068987257 /nfs/dbraw/zinc/98/72/57/1068987257.db2.gz RDELIYZGPGRNQA-YYUOZPCZSA-N 0 2 494.460 0.969 20 10 JCCDLN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185548874 1068986747 /nfs/dbraw/zinc/98/67/47/1068986747.db2.gz RDVXBODCWTYEOG-ABKXIKBNSA-N 0 2 469.406 0.992 20 10 JCCDLN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185548875 1068986823 /nfs/dbraw/zinc/98/68/23/1068986823.db2.gz RDVXBODCWTYEOG-FVMDXXJSSA-N 0 2 469.406 0.992 20 10 JCCDLN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185548876 1068986862 /nfs/dbraw/zinc/98/68/62/1068986862.db2.gz RDVXBODCWTYEOG-JDNHERCYSA-N 0 2 469.406 0.992 20 10 JCCDLN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185548877 1068988224 /nfs/dbraw/zinc/98/82/24/1068988224.db2.gz RDVXBODCWTYEOG-XXFAHNHDSA-N 0 2 469.406 0.992 20 10 JCCDLN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)O1 ZINC001185548894 1068987885 /nfs/dbraw/zinc/98/78/85/1068987885.db2.gz RHUAZBLYXRDGOW-NODPJGRNSA-N 0 2 484.461 0.864 20 10 JCCDLN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)O1 ZINC001185548895 1068988405 /nfs/dbraw/zinc/98/84/05/1068988405.db2.gz RHUAZBLYXRDGOW-XOPPTJLZSA-N 0 2 484.461 0.864 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(C2CCOCC2)C(=O)C1 ZINC001185548904 1068987678 /nfs/dbraw/zinc/98/76/78/1068987678.db2.gz RMICDYDHGZREDF-LLVKDONJSA-N 0 2 458.423 0.430 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCN(C2CCOCC2)C(=O)C1 ZINC001185548905 1068988299 /nfs/dbraw/zinc/98/82/99/1068988299.db2.gz RMICDYDHGZREDF-NSHDSACASA-N 0 2 458.423 0.430 20 10 JCCDLN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185549244 1068988165 /nfs/dbraw/zinc/98/81/65/1068988165.db2.gz QSJBTYYBLQYGPG-JTQLQIEISA-N 0 2 466.468 0.510 20 10 JCCDLN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185549255 1068987706 /nfs/dbraw/zinc/98/77/06/1068987706.db2.gz QSJBTYYBLQYGPG-SNVBAGLBSA-N 0 2 466.468 0.510 20 10 JCCDLN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)cn1 ZINC001185549319 1068988371 /nfs/dbraw/zinc/98/83/71/1068988371.db2.gz UYNYGAMKHLSUQS-KGYLQXTDSA-N 0 2 480.433 0.720 20 10 JCCDLN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)cn1 ZINC001185549320 1068987842 /nfs/dbraw/zinc/98/78/42/1068987842.db2.gz UYNYGAMKHLSUQS-WCFLWFBJSA-N 0 2 480.433 0.720 20 10 JCCDLN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C[C@H]32)nn1 ZINC001185549743 1068988074 /nfs/dbraw/zinc/98/80/74/1068988074.db2.gz XCPWNWAOPVONFJ-GHJWDPDVSA-N 0 2 494.460 0.794 20 10 JCCDLN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]4CC(=O)c5oc(=O)c6cc(O)c(O)c(O)c6c54)C[C@H]32)nn1 ZINC001185549748 1068987972 /nfs/dbraw/zinc/98/79/72/1068987972.db2.gz XCPWNWAOPVONFJ-KFNAQCHYSA-N 0 2 494.460 0.794 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001185549996 1068987805 /nfs/dbraw/zinc/98/78/05/1068987805.db2.gz UFGIRGQGWVYULP-TWVUQHAGSA-N 0 2 469.406 0.311 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001185549997 1068988116 /nfs/dbraw/zinc/98/81/16/1068988116.db2.gz UFGIRGQGWVYULP-ZTPKMZSMSA-N 0 2 469.406 0.311 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001185550010 1068988337 /nfs/dbraw/zinc/98/83/37/1068988337.db2.gz XVJWDZCNDZAHDR-HCKVZZMMSA-N 0 2 480.433 0.486 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001185550011 1068987775 /nfs/dbraw/zinc/98/77/75/1068987775.db2.gz XVJWDZCNDZAHDR-NVBFEUDRSA-N 0 2 480.433 0.486 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001185550026 1068988022 /nfs/dbraw/zinc/98/80/22/1068988022.db2.gz XYFMWVUYPUDKCL-AAEUAGOBSA-N 0 2 472.450 0.820 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001185550027 1068988260 /nfs/dbraw/zinc/98/82/60/1068988260.db2.gz XYFMWVUYPUDKCL-DGCLKSJQSA-N 0 2 472.450 0.820 20 10 JCCDLN O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001185550028 1068987740 /nfs/dbraw/zinc/98/77/40/1068987740.db2.gz XYFMWVUYPUDKCL-WCQYABFASA-N 0 2 472.450 0.820 20 10 JCCDLN O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001185550029 1068989074 /nfs/dbraw/zinc/98/90/74/1068989074.db2.gz XYFMWVUYPUDKCL-YPMHNXCESA-N 0 2 472.450 0.820 20 10 JCCDLN COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CC2 ZINC001185550396 1068989252 /nfs/dbraw/zinc/98/92/52/1068989252.db2.gz VUOGGKJGQDWZET-MRVPVSSYSA-N 0 2 455.379 0.605 20 10 JCCDLN COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c31)CC2 ZINC001185550397 1068988954 /nfs/dbraw/zinc/98/89/54/1068988954.db2.gz VUOGGKJGQDWZET-QMMMGPOBSA-N 0 2 455.379 0.605 20 10 JCCDLN O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185550812 1068988771 /nfs/dbraw/zinc/98/87/71/1068988771.db2.gz YOSRSIKRJPQIRS-GFCCVEGCSA-N 0 2 465.418 0.959 20 10 JCCDLN O=C(c1ccncc1)N1CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185550813 1068989330 /nfs/dbraw/zinc/98/93/30/1068989330.db2.gz YOSRSIKRJPQIRS-LBPRGKRZSA-N 0 2 465.418 0.959 20 10 JCCDLN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185552036 1068989371 /nfs/dbraw/zinc/98/93/71/1068989371.db2.gz ANCAPLRANXRDAV-IYYTYJHQSA-N 0 2 476.438 0.676 20 10 JCCDLN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001185552037 1068989106 /nfs/dbraw/zinc/98/91/06/1068989106.db2.gz ANCAPLRANXRDAV-ZDSQKVDBSA-N 0 2 476.438 0.676 20 10 JCCDLN CCOC(=O)C(=CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OCC ZINC001185552686 1068989149 /nfs/dbraw/zinc/98/91/49/1068989149.db2.gz IVZNNHOUGXHJCT-MRVPVSSYSA-N 0 2 461.379 0.706 20 10 JCCDLN CCOC(=O)C(=CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OCC ZINC001185552692 1068988873 /nfs/dbraw/zinc/98/88/73/1068988873.db2.gz IVZNNHOUGXHJCT-QMMMGPOBSA-N 0 2 461.379 0.706 20 10 JCCDLN O=C(NCCC1CCS(=O)(=O)CC1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185553068 1068990211 /nfs/dbraw/zinc/99/02/11/1068990211.db2.gz MNTZEVBBSJUELP-JTQLQIEISA-N 0 2 451.453 0.911 20 10 JCCDLN O=C(NCCC1CCS(=O)(=O)CC1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185553069 1068989914 /nfs/dbraw/zinc/98/99/14/1068989914.db2.gz MNTZEVBBSJUELP-SNVBAGLBSA-N 0 2 451.453 0.911 20 10 JCCDLN CCOC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OCC ZINC001185553142 1068990270 /nfs/dbraw/zinc/99/02/70/1068990270.db2.gz NABCLGFYNFASEU-KOLCDFICSA-N 0 2 477.422 0.971 20 10 JCCDLN CCOC(=O)CC[C@H](NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OCC ZINC001185553143 1068990334 /nfs/dbraw/zinc/99/03/34/1068990334.db2.gz NABCLGFYNFASEU-ONGXEEELSA-N 0 2 477.422 0.971 20 10 JCCDLN CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)nc1 ZINC001185553144 1068990006 /nfs/dbraw/zinc/99/00/06/1068990006.db2.gz NBJXGUJWARTTJJ-JTQLQIEISA-N 0 2 460.420 0.695 20 10 JCCDLN CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)nc1 ZINC001185553145 1068990117 /nfs/dbraw/zinc/99/01/17/1068990117.db2.gz NBJXGUJWARTTJJ-SNVBAGLBSA-N 0 2 460.420 0.695 20 10 JCCDLN O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185553156 1068989958 /nfs/dbraw/zinc/98/99/58/1068989958.db2.gz NGAWWPYLMQGUML-LLVKDONJSA-N 0 2 468.422 0.523 20 10 JCCDLN O=C(NCc1ccc(N2CCOCC2)nn1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185553157 1068990389 /nfs/dbraw/zinc/99/03/89/1068990389.db2.gz NGAWWPYLMQGUML-NSHDSACASA-N 0 2 468.422 0.523 20 10 JCCDLN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OC(C)(C)C ZINC001185553463 1068990356 /nfs/dbraw/zinc/99/03/56/1068990356.db2.gz QQZDOXGZJAXKPA-SCZZXKLOSA-N 0 2 477.422 0.969 20 10 JCCDLN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)OC(C)(C)C ZINC001185553466 1068989790 /nfs/dbraw/zinc/98/97/90/1068989790.db2.gz QQZDOXGZJAXKPA-WPRPVWTQSA-N 0 2 477.422 0.969 20 10 JCCDLN O=C(CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)NCC(=O)OCc1ccccc1 ZINC001185553942 1068989853 /nfs/dbraw/zinc/98/98/53/1068989853.db2.gz UQLPRUOFHNDPFU-GFCCVEGCSA-N 0 2 496.428 0.556 20 10 JCCDLN O=C(CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)NCC(=O)OCc1ccccc1 ZINC001185553961 1068990063 /nfs/dbraw/zinc/99/00/63/1068990063.db2.gz UQLPRUOFHNDPFU-LBPRGKRZSA-N 0 2 496.428 0.556 20 10 JCCDLN CCn1c(N)c(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)c(=O)n(CC)c1=O ZINC001185554032 1068989821 /nfs/dbraw/zinc/98/98/21/1068989821.db2.gz VJNUUGOTGHFXHO-SSDOTTSWSA-N 0 2 472.410 0.164 20 10 JCCDLN CCn1c(N)c(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)c(=O)n(CC)c1=O ZINC001185554033 1068990296 /nfs/dbraw/zinc/99/02/96/1068990296.db2.gz VJNUUGOTGHFXHO-ZETCQYMHSA-N 0 2 472.410 0.164 20 10 JCCDLN CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185554064 1068990245 /nfs/dbraw/zinc/99/02/45/1068990245.db2.gz VZIPQYNTSZCCQF-GDPRMGEGSA-N 0 2 476.438 0.988 20 10 JCCDLN CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185554065 1068990419 /nfs/dbraw/zinc/99/04/19/1068990419.db2.gz VZIPQYNTSZCCQF-IEBDPFPHSA-N 0 2 476.438 0.988 20 10 JCCDLN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)N1CCOCC1 ZINC001185554619 1068989759 /nfs/dbraw/zinc/98/97/59/1068989759.db2.gz YJHBLUPQZDWSOZ-HWPZZCPQSA-N 0 2 460.439 0.579 20 10 JCCDLN CC(C)[C@H](NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)N1CCOCC1 ZINC001185554620 1068990174 /nfs/dbraw/zinc/99/01/74/1068990174.db2.gz YJHBLUPQZDWSOZ-QFYYESIMSA-N 0 2 460.439 0.579 20 10 JCCDLN NC(=O)c1ccccc1OCCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185557219 1068991144 /nfs/dbraw/zinc/99/11/44/1068991144.db2.gz ASFUYSKQRXTJEB-JTQLQIEISA-N 0 2 454.391 0.874 20 10 JCCDLN NC(=O)c1ccccc1OCCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185557249 1068991051 /nfs/dbraw/zinc/99/10/51/1068991051.db2.gz ASFUYSKQRXTJEB-SNVBAGLBSA-N 0 2 454.391 0.874 20 10 JCCDLN CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185557388 1068991105 /nfs/dbraw/zinc/99/11/05/1068991105.db2.gz BVWSBVRJUSJILW-JTQLQIEISA-N 0 2 466.468 0.368 20 10 JCCDLN CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185557389 1068990915 /nfs/dbraw/zinc/99/09/15/1068990915.db2.gz BVWSBVRJUSJILW-SNVBAGLBSA-N 0 2 466.468 0.368 20 10 JCCDLN COCCC1(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCS(=O)(=O)CC1 ZINC001185557599 1068990878 /nfs/dbraw/zinc/99/08/78/1068990878.db2.gz CVHLAXWFSQUTRE-JTQLQIEISA-N 0 2 481.479 0.680 20 10 JCCDLN COCCC1(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CCS(=O)(=O)CC1 ZINC001185557613 1068990795 /nfs/dbraw/zinc/99/07/95/1068990795.db2.gz CVHLAXWFSQUTRE-SNVBAGLBSA-N 0 2 481.479 0.680 20 10 JCCDLN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185557709 1068991017 /nfs/dbraw/zinc/99/10/17/1068991017.db2.gz DZCSURKRFFKWPH-CMPLNLGQSA-N 0 2 454.391 0.875 20 10 JCCDLN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185557712 1068990980 /nfs/dbraw/zinc/99/09/80/1068990980.db2.gz DZCSURKRFFKWPH-ZYHUDNBSSA-N 0 2 454.391 0.875 20 10 JCCDLN COCCOCCOCCOCCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185558404 1068990838 /nfs/dbraw/zinc/99/08/38/1068990838.db2.gz KMVPDUFBWVXSTI-GFCCVEGCSA-N 0 2 481.454 0.392 20 10 JCCDLN COCCOCCOCCOCCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185558408 1068990946 /nfs/dbraw/zinc/99/09/46/1068990946.db2.gz KMVPDUFBWVXSTI-LBPRGKRZSA-N 0 2 481.454 0.392 20 10 JCCDLN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185558423 1068991180 /nfs/dbraw/zinc/99/11/80/1068991180.db2.gz KPJDZVQYUFMTPK-DCAQKATOSA-N 0 2 460.439 0.770 20 10 JCCDLN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)CC1 ZINC001185558424 1068990693 /nfs/dbraw/zinc/99/06/93/1068990693.db2.gz KPJDZVQYUFMTPK-GMTAPVOTSA-N 0 2 460.439 0.770 20 10 JCCDLN C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)CC1 ZINC001185558471 1068990756 /nfs/dbraw/zinc/99/07/56/1068990756.db2.gz LBEZESIGICSZTH-IJLUTSLNSA-N 0 2 473.482 0.685 20 10 JCCDLN C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)CC1 ZINC001185558479 1068991126 /nfs/dbraw/zinc/99/11/26/1068991126.db2.gz LBEZESIGICSZTH-SRVKXCTJSA-N 0 2 473.482 0.685 20 10 JCCDLN COCCOc1nccc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)n1 ZINC001185558855 1068991852 /nfs/dbraw/zinc/99/18/52/1068991852.db2.gz RLUYMCAUWQEAHU-JTQLQIEISA-N 0 2 457.395 0.711 20 10 JCCDLN COCCOc1nccc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)n1 ZINC001185558857 1068991648 /nfs/dbraw/zinc/99/16/48/1068991648.db2.gz RLUYMCAUWQEAHU-SNVBAGLBSA-N 0 2 457.395 0.711 20 10 JCCDLN C[C@H](NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001185559224 1068991735 /nfs/dbraw/zinc/99/17/35/1068991735.db2.gz VZPHGHFQKUQOQA-GUBZILKMSA-N 0 2 490.465 0.931 20 10 JCCDLN C[C@H](NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001185559225 1068991938 /nfs/dbraw/zinc/99/19/38/1068991938.db2.gz VZPHGHFQKUQOQA-LPEHRKFASA-N 0 2 490.465 0.931 20 10 JCCDLN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001186634958 1069146204 /nfs/dbraw/zinc/14/62/04/1069146204.db2.gz FKQKTXSDGZCJMW-AVGNSLFASA-N 0 2 494.504 0.640 20 10 JCCDLN