smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(C2CCOCC2)n1C1CCN(C(=O)N(C)C)CC1 ZINC000581808914 784786272 /nfs/dbraw/zinc/78/62/72/784786272.db2.gz ZGHKHINNVHFHAA-UHFFFAOYSA-N 0 1 320.437 2.404 50 0 DEAAMN O=C1CCCN1CCN1CCC([C@H](O)c2cccs2)CC1 ZINC001529101568 1070857112 /nfs/dbraw/zinc/85/71/12/1070857112.db2.gz HVSQBVWOOPTNER-INIZCTEOSA-N 0 1 308.447 2.116 50 0 DEAAMN Cc1cc(F)ccc1C(=O)Nc1nnc(CCN(C)C)s1 ZINC001529102043 1070857767 /nfs/dbraw/zinc/85/77/67/1070857767.db2.gz USVHOCCKDQROKX-UHFFFAOYSA-N 0 1 308.382 2.342 50 0 DEAAMN CCc1cc(N[C@H](CO)CCSC)nc(N2CCCC2)n1 ZINC001529106213 1070858833 /nfs/dbraw/zinc/85/88/33/1070858833.db2.gz MGJUYFLKVFXDBW-ZDUSSCGKSA-N 0 1 310.467 2.165 50 0 DEAAMN C[N@@H+](Cc1ccc(CC(=O)[O-])cc1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529119979 1070867681 /nfs/dbraw/zinc/86/76/81/1070867681.db2.gz PMSVUWGXWDAWPK-WNKDZCFJSA-N 0 1 303.402 2.295 50 0 DEAAMN CN(C)C(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cc2ccccc2s1 ZINC001529139771 1070877305 /nfs/dbraw/zinc/87/73/05/1070877305.db2.gz SOLOHRUUKLOFHH-OAHLLOKOSA-N 0 1 320.414 2.437 50 0 DEAAMN CCc1nc(C)c(CN2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)[nH]1 ZINC001529182569 1070906788 /nfs/dbraw/zinc/90/67/88/1070906788.db2.gz UUCBTLDRWCVGSJ-CJNGLKHVSA-N 0 1 318.421 2.266 50 0 DEAAMN Cc1[nH]ncc1CN(C)C(=O)CC(=O)Nc1cccc(C)c1 ZINC001506401656 1061944378 /nfs/dbraw/zinc/94/43/78/1061944378.db2.gz FPJGEJCFJMTJBY-UHFFFAOYSA-N 0 1 300.362 2.014 50 0 DEAAMN O=C(c1ccncc1)N1CCC(N2CCn3cccc3C2)CC1 ZINC001506404888 1061946137 /nfs/dbraw/zinc/94/61/37/1061946137.db2.gz JOHZWBLWAPFMDN-UHFFFAOYSA-N 0 1 310.401 2.004 50 0 DEAAMN Cc1cc([C@@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)n[nH]1 ZINC000078902264 185126004 /nfs/dbraw/zinc/12/60/04/185126004.db2.gz TZNYAUOIIJGQSP-GFCCVEGCSA-N 0 1 313.357 2.467 50 0 DEAAMN Cc1cc([C@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)n[nH]1 ZINC000078902267 185126330 /nfs/dbraw/zinc/12/63/30/185126330.db2.gz TZNYAUOIIJGQSP-LBPRGKRZSA-N 0 1 313.357 2.467 50 0 DEAAMN CCn1ccnc1CN1CCN(CCc2ccccn2)C[C@H]1C ZINC000252474429 529568613 /nfs/dbraw/zinc/56/86/13/529568613.db2.gz DIBAMQOYSQNGMH-MRXNPFEDSA-N 0 1 313.449 2.047 50 0 DEAAMN Cc1c[nH]c(CN(C)C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)n1 ZINC000095390858 185351482 /nfs/dbraw/zinc/35/14/82/185351482.db2.gz YBVCDOTVHHNYFK-UHFFFAOYSA-N 0 1 311.345 2.086 50 0 DEAAMN CCn1nc(C)c(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)c1C ZINC000095398698 185353617 /nfs/dbraw/zinc/35/36/17/185353617.db2.gz ZPXHFFGGJDMEBO-HNNXBMFYSA-N 0 1 323.437 2.033 50 0 DEAAMN O=C(NCc1c[nH]nn1)c1cccc(OC2CCCCC2)c1 ZINC000097011688 185397040 /nfs/dbraw/zinc/39/70/40/185397040.db2.gz AHFDUQKLVDUOSF-UHFFFAOYSA-N 0 1 300.362 2.446 50 0 DEAAMN C[C@H](NCC(=O)NC(=O)NC1CC1)c1ccc(F)c(Cl)c1 ZINC000097033154 185399737 /nfs/dbraw/zinc/39/97/37/185399737.db2.gz ROWYNSYIPVBMOC-QMMMGPOBSA-N 0 1 313.760 2.118 50 0 DEAAMN CN(Cc1nc(N)c2ccccc2n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241774145 530022602 /nfs/dbraw/zinc/02/26/02/530022602.db2.gz RNKQLENKNODXPN-APHBMKBZSA-N 0 1 312.417 2.457 50 0 DEAAMN CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000096419267 539434028 /nfs/dbraw/zinc/43/40/28/539434028.db2.gz WLMXEIHFSLRBKP-QWHCGFSZSA-N 0 1 308.447 2.386 50 0 DEAAMN COc1cccc(C2=CCN(CCN3CCOC3=O)CC2)c1 ZINC000083970565 192393467 /nfs/dbraw/zinc/39/34/67/192393467.db2.gz CWSNWFWVHLUKKI-UHFFFAOYSA-N 0 1 302.374 2.237 50 0 DEAAMN COc1ccc(-c2ncc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cn2)cc1 ZINC000223842745 539729371 /nfs/dbraw/zinc/72/93/71/539729371.db2.gz YVPMYAXMZJUMCA-NSHDSACASA-N 0 1 301.346 2.057 50 0 DEAAMN CCc1nc(C)c(-c2nccn2Cc2cn3c(n2)SCC3)[nH]1 ZINC000071752816 191024236 /nfs/dbraw/zinc/02/42/36/191024236.db2.gz AERIYBFRXFCWQN-UHFFFAOYSA-N 0 1 314.418 2.495 50 0 DEAAMN O=C([O-])CC[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072152679 191058076 /nfs/dbraw/zinc/05/80/76/191058076.db2.gz HWAJUADKHJQZBH-CGTJXYLNSA-N 0 1 300.402 2.023 50 0 DEAAMN CN(Cc1cc(-c2ccccc2)on1)Cc1cc2n(n1)CCNC2 ZINC000072168183 191066354 /nfs/dbraw/zinc/06/63/54/191066354.db2.gz KTTAOERLXDDXIR-UHFFFAOYSA-N 0 1 323.400 2.273 50 0 DEAAMN Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)[O-])C2)cc(N2CCCC2)n1 ZINC000072410178 191154766 /nfs/dbraw/zinc/15/47/66/191154766.db2.gz SGVGVKMNPYMKHX-CQSZACIVSA-N 0 1 318.421 2.039 50 0 DEAAMN CC(C)(O)CCc1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1 ZINC000072423244 191158734 /nfs/dbraw/zinc/15/87/34/191158734.db2.gz JZTVXXFVFQGMDC-KRWDZBQOSA-N 0 1 316.445 2.214 50 0 DEAAMN Cn1cc(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cn1 ZINC000072424920 191159380 /nfs/dbraw/zinc/15/93/80/191159380.db2.gz GNXAUBXRLYDOQS-AWEZNQCLSA-N 0 1 313.336 2.413 50 0 DEAAMN COc1ccc(/C=C/CN2CC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072480361 191181685 /nfs/dbraw/zinc/18/16/85/191181685.db2.gz YJFBHEPHEPYPDM-IDOMTICXSA-N 0 1 302.374 2.235 50 0 DEAAMN CN1CCC[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C1 ZINC000065818842 354691599 /nfs/dbraw/zinc/69/15/99/354691599.db2.gz WAJSUPHLKKOMGC-LBPRGKRZSA-N 0 1 317.418 2.421 50 0 DEAAMN CCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 ZINC000076056433 355122592 /nfs/dbraw/zinc/12/25/92/355122592.db2.gz NIHWAFHAXIMQSK-AVGNSLFASA-N 0 1 308.426 2.176 50 0 DEAAMN COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(=Cc3ccccc3)CC2)C1 ZINC000079498208 355313191 /nfs/dbraw/zinc/31/31/91/355313191.db2.gz NDMKNCINCILARU-RCCFBDPRSA-N 0 1 315.413 2.478 50 0 DEAAMN CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000236821604 202026778 /nfs/dbraw/zinc/02/67/78/202026778.db2.gz GBIYWFDMKOQMKN-OAHLLOKOSA-N 0 1 304.390 2.121 50 0 DEAAMN Cc1nc(CN(C)[C@@H]2CCN([C@H](C)c3cccnc3)C2)no1 ZINC000108087051 355731378 /nfs/dbraw/zinc/73/13/78/355731378.db2.gz XMEVWTMKYQGCME-IUODEOHRSA-N 0 1 301.394 2.040 50 0 DEAAMN Cc1cc(C)cc(CS(=O)(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC000125206213 355811514 /nfs/dbraw/zinc/81/15/14/355811514.db2.gz MTYXOBPMMMUCGF-UHFFFAOYSA-N 0 1 305.403 2.414 50 0 DEAAMN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCc2nc(C)n[nH]2)s1 ZINC000080973230 192207942 /nfs/dbraw/zinc/20/79/42/192207942.db2.gz MYDZGOKPWYEKOT-VXGBXAGGSA-N 0 1 304.419 2.336 50 0 DEAAMN CCO[C@H]1CN(CC)C[C@@H]1n1cnc2c(Cl)cccc2c1=O ZINC000584887588 357326312 /nfs/dbraw/zinc/32/63/12/357326312.db2.gz TWXWFQSNGWKRLS-KBPBESRZSA-N 0 1 321.808 2.332 50 0 DEAAMN COc1cc(C(=O)N2CCN(CC3CCCC3)CC2)ccn1 ZINC000584891492 357326768 /nfs/dbraw/zinc/32/67/68/357326768.db2.gz CTLJXFBQIBVWGM-UHFFFAOYSA-N 0 1 303.406 2.038 50 0 DEAAMN COc1ccc(Cl)cc1CN1CCN(Cc2cnc[nH]2)CC1 ZINC000179989263 199103210 /nfs/dbraw/zinc/10/32/10/199103210.db2.gz YBSFWCXHPIPBTN-UHFFFAOYSA-N 0 1 320.824 2.390 50 0 DEAAMN COc1ccccc1-c1nc(C(=O)N2CCN[C@@H](C)C2)cs1 ZINC000237349964 202240660 /nfs/dbraw/zinc/24/06/60/202240660.db2.gz HQTQBGKPQYTSOE-NSHDSACASA-N 0 1 317.414 2.253 50 0 DEAAMN C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000237594766 202296404 /nfs/dbraw/zinc/29/64/04/202296404.db2.gz XWGPQJGGQQGZFN-VXGBXAGGSA-N 0 1 324.808 2.314 50 0 DEAAMN C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CCN1 ZINC000188444328 200247904 /nfs/dbraw/zinc/24/79/04/200247904.db2.gz KEPJYWGJWHPQML-SECBINFHSA-N 0 1 317.252 2.264 50 0 DEAAMN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1c(F)cccc1F ZINC000005952748 181299927 /nfs/dbraw/zinc/29/99/27/181299927.db2.gz LQVWUYXKYDJLHP-GFCCVEGCSA-N 0 1 312.341 2.321 50 0 DEAAMN O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cccc(=O)[nH]1 ZINC000670433900 540932832 /nfs/dbraw/zinc/93/28/32/540932832.db2.gz JBCNPRIZHXIXSL-LBPRGKRZSA-N 0 1 317.414 2.243 50 0 DEAAMN C[N@H+](Cc1cc(Cl)ccc1OCC(=O)[O-])C[C@H]1CCOC1 ZINC000670440270 540933929 /nfs/dbraw/zinc/93/39/29/540933929.db2.gz WKBPJPKOPGQKRF-LLVKDONJSA-N 0 1 313.781 2.272 50 0 DEAAMN CCc1n[nH]c2c1CN([C@@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454659 540936392 /nfs/dbraw/zinc/93/63/92/540936392.db2.gz XDFFLVKTARHVIG-INIZCTEOSA-N 0 1 304.438 2.168 50 0 DEAAMN Cc1nc(CN(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1C ZINC000670467131 540937545 /nfs/dbraw/zinc/93/75/45/540937545.db2.gz IAGLTFGDCPAMRY-AWEZNQCLSA-N 0 1 306.454 2.116 50 0 DEAAMN Cc1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)c(C)c1 ZINC000006678628 181369220 /nfs/dbraw/zinc/36/92/20/181369220.db2.gz CLLQCSXDZCQWOI-UHFFFAOYSA-N 0 1 310.400 2.265 50 0 DEAAMN COc1cccc(Cn2ncnc2CCc2[nH]nc(C)c2C)c1 ZINC000091644296 193083676 /nfs/dbraw/zinc/08/36/76/193083676.db2.gz ZUZFZQCGHNWDHZ-UHFFFAOYSA-N 0 1 311.389 2.460 50 0 DEAAMN Cc1nonc1CN1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091621091 193080903 /nfs/dbraw/zinc/08/09/03/193080903.db2.gz QJLBEUQUAUFNQT-QGZVFWFLSA-N 0 1 318.421 2.135 50 0 DEAAMN CCCn1ncc(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C ZINC000091625609 193081891 /nfs/dbraw/zinc/08/18/91/193081891.db2.gz ZFWAQNGGBURCPQ-UHFFFAOYSA-N 0 1 301.394 2.086 50 0 DEAAMN C[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)CC[C@]1(C)O ZINC000091818196 193112283 /nfs/dbraw/zinc/11/22/83/193112283.db2.gz GDLYQIAPRHAMAS-PBHICJAKSA-N 0 1 304.438 2.060 50 0 DEAAMN CCCc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)n[nH]1 ZINC000092001408 193139732 /nfs/dbraw/zinc/13/97/32/193139732.db2.gz ILFPTZISCYRWBP-UHFFFAOYSA-N 0 1 314.389 2.030 50 0 DEAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCCCCC1 ZINC000262388393 304144682 /nfs/dbraw/zinc/14/46/82/304144682.db2.gz ZLEHVMGDAQQKLO-ZNMIVQPWSA-N 0 1 308.422 2.107 50 0 DEAAMN CN(Cc1cnc[nH]1)[C@H](CO)c1cccc(Br)c1 ZINC000093815548 193311969 /nfs/dbraw/zinc/31/19/69/193311969.db2.gz KUPRKESVIBJTPJ-CYBMUJFWSA-N 0 1 310.195 2.338 50 0 DEAAMN Cc1ccc(CN2CCN(Cc3ccon3)C[C@@H]2CCO)cc1 ZINC000020918614 182253597 /nfs/dbraw/zinc/25/35/97/182253597.db2.gz RNQDALGHKDGXDQ-SFHVURJKSA-N 0 1 315.417 2.052 50 0 DEAAMN Cc1nnc(SCCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000020859404 182249923 /nfs/dbraw/zinc/24/99/23/182249923.db2.gz ZLOBJPZPYHJXST-UHFFFAOYSA-N 0 1 319.415 2.245 50 0 DEAAMN COc1ccccc1[C@H](CNC(=S)NC1CC1)N1CCCC1 ZINC000021334356 182272023 /nfs/dbraw/zinc/27/20/23/182272023.db2.gz LPURACZTVZCGKF-HNNXBMFYSA-N 0 1 319.474 2.459 50 0 DEAAMN CN1CCN([C@@H](CNC(=O)C2CCCC2)c2ccsc2)CC1 ZINC000022794248 182334780 /nfs/dbraw/zinc/33/47/80/182334780.db2.gz JFMTYXDAYZRCEV-INIZCTEOSA-N 0 1 321.490 2.343 50 0 DEAAMN CC(C)[N@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@H]1CCO ZINC000104645872 194021685 /nfs/dbraw/zinc/02/16/85/194021685.db2.gz ZNSIMYIVOSIJCV-CQSZACIVSA-N 0 1 312.841 2.323 50 0 DEAAMN CC(C)[N@@H+]1CCN(Cc2ccc([O-])c(Cl)c2)C[C@H]1CCO ZINC000104645872 194021687 /nfs/dbraw/zinc/02/16/87/194021687.db2.gz ZNSIMYIVOSIJCV-CQSZACIVSA-N 0 1 312.841 2.323 50 0 DEAAMN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000057121871 184027621 /nfs/dbraw/zinc/02/76/21/184027621.db2.gz BBHXXLPLRXPXLI-UHFFFAOYSA-N 0 1 320.370 2.454 50 0 DEAAMN CCc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nn[nH]n1 ZINC000057523472 184040968 /nfs/dbraw/zinc/04/09/68/184040968.db2.gz SJELYPBSSILFLP-AWEZNQCLSA-N 0 1 322.372 2.122 50 0 DEAAMN CCOc1cc(CN[C@H]2CCCNC2=O)ccc1OC(F)F ZINC000058098830 184074890 /nfs/dbraw/zinc/07/48/90/184074890.db2.gz WQRXLNNNFZWENJ-NSHDSACASA-N 0 1 314.332 2.055 50 0 DEAAMN COCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)C1CC1 ZINC000058229098 184091516 /nfs/dbraw/zinc/09/15/16/184091516.db2.gz QOLWQDFMICZTBF-LBPRGKRZSA-N 0 1 301.390 2.170 50 0 DEAAMN O=C(C[C@@H]1CCCO1)NC1CCN(Cc2ccccc2F)CC1 ZINC000058160368 184082256 /nfs/dbraw/zinc/08/22/56/184082256.db2.gz VDSJSJDATMANRJ-INIZCTEOSA-N 0 1 320.408 2.475 50 0 DEAAMN CCN(CC)[C@H](CNC(=O)[C@@H](C)n1ccnc1)c1ccco1 ZINC000058354799 184107834 /nfs/dbraw/zinc/10/78/34/184107834.db2.gz HAWLLWSFXXOADU-ZIAGYGMSSA-N 0 1 304.394 2.236 50 0 DEAAMN Cc1noc2ncc(C(=O)N3CCN(CCC(C)C)CC3)cc12 ZINC000061866123 184190574 /nfs/dbraw/zinc/19/05/74/184190574.db2.gz VVNRCHKSRVJLCR-UHFFFAOYSA-N 0 1 316.405 2.335 50 0 DEAAMN COc1cccc([C@@H]2CCN(Cc3cccnc3N)C[C@H]2O)c1 ZINC000065464952 184350234 /nfs/dbraw/zinc/35/02/34/184350234.db2.gz MMPPXZYDXGOAIA-DLBZAZTESA-N 0 1 313.401 2.023 50 0 DEAAMN Cc1ccc(F)c(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000066074674 184386857 /nfs/dbraw/zinc/38/68/57/184386857.db2.gz WPRSSGWCSNEVRJ-CQSZACIVSA-N 0 1 320.408 2.459 50 0 DEAAMN Cc1cc(C[C@H](C)NC(=O)N(C)C2Cc3ccccc3C2)n[nH]1 ZINC000269215249 207333611 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2.055 50 0 DEAAMN CC(C)CN1CCO[C@@H](COC(=O)c2ccncc2Cl)C1 ZINC000075029731 355064884 /nfs/dbraw/zinc/06/48/84/355064884.db2.gz KFUPMFDFENCFQH-GFCCVEGCSA-N 0 1 312.797 2.249 50 0 DEAAMN CCCc1nc([C@H]2CN(Cc3cnc(C)s3)CCO2)n[nH]1 ZINC000076049488 355121782 /nfs/dbraw/zinc/12/17/82/355121782.db2.gz HJIGDJLRZVTMIM-GFCCVEGCSA-N 0 1 307.423 2.096 50 0 DEAAMN CCCc1n[nH]c([C@H]2CN(Cc3cnc(C)s3)CCO2)n1 ZINC000076049488 355121783 /nfs/dbraw/zinc/12/17/83/355121783.db2.gz HJIGDJLRZVTMIM-GFCCVEGCSA-N 0 1 307.423 2.096 50 0 DEAAMN O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc[nH]1 ZINC000075552032 355092333 /nfs/dbraw/zinc/09/23/33/355092333.db2.gz RSZQOYYROLOBCR-UHFFFAOYSA-N 0 1 303.793 2.351 50 0 DEAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CC=CCC3)CCO2)n1 ZINC000078889119 355283243 /nfs/dbraw/zinc/28/32/43/355283243.db2.gz IKTZVLDMLZNXRZ-QWHCGFSZSA-N 0 1 304.394 2.184 50 0 DEAAMN CC(C)c1nc([C@H]2CN(C(=O)[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000078889119 355283246 /nfs/dbraw/zinc/28/32/46/355283246.db2.gz IKTZVLDMLZNXRZ-QWHCGFSZSA-N 0 1 304.394 2.184 50 0 DEAAMN CC(C)OC[C@@H](O)CN1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000097228758 355703066 /nfs/dbraw/zinc/70/30/66/355703066.db2.gz GLVNZRGYBUMWCB-HOTGVXAUSA-N 0 1 324.440 2.290 50 0 DEAAMN COC(=O)[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(C)C ZINC000193044689 356222231 /nfs/dbraw/zinc/22/22/31/356222231.db2.gz WQYFHKXEQHWXEL-LLVKDONJSA-N 0 1 307.375 2.467 50 0 DEAAMN O[C@H](C[N@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000229478296 356282177 /nfs/dbraw/zinc/28/21/77/356282177.db2.gz HOSLHWVYLLVHRN-MLGOLLRUSA-N 0 1 322.359 2.002 50 0 DEAAMN Cc1cc(CN(C)C(=O)[C@@H](Cc2cnc[nH]2)n2cccc2)ccn1 ZINC000584893996 357327957 /nfs/dbraw/zinc/32/79/57/357327957.db2.gz FXPFUTDQVFUJHQ-QGZVFWFLSA-N 0 1 323.400 2.357 50 0 DEAAMN C[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCN1 ZINC000237591473 202295134 /nfs/dbraw/zinc/29/51/34/202295134.db2.gz FXJMWOFXXHPDLZ-NSHDSACASA-N 0 1 316.323 2.338 50 0 DEAAMN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1 ZINC000006262394 181324381 /nfs/dbraw/zinc/32/43/81/181324381.db2.gz TWCWZWMHRMKXHU-UHFFFAOYSA-N 0 1 320.370 2.454 50 0 DEAAMN COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000006579688 181356561 /nfs/dbraw/zinc/35/65/61/181356561.db2.gz FORSAPUHFGMORG-UHFFFAOYSA-N 0 1 309.318 2.413 50 0 DEAAMN Cc1cc(NCCCn2ccnn2)nc(-c2ccccc2O)n1 ZINC000091535061 193069874 /nfs/dbraw/zinc/06/98/74/193069874.db2.gz BTCVUGKNELVENY-UHFFFAOYSA-N 0 1 310.361 2.251 50 0 DEAAMN Cc1nnc(SCCCNc2nc(N)nc(C)c2C)s1 ZINC000091602858 193078645 /nfs/dbraw/zinc/07/86/45/193078645.db2.gz IMIVVLILHUJWIF-UHFFFAOYSA-N 0 1 310.452 2.430 50 0 DEAAMN COCC[C@]1(C(=O)[O-])CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000091486019 193062027 /nfs/dbraw/zinc/06/20/27/193062027.db2.gz QXBBHVSTJNOYSK-GOSISDBHSA-N 0 1 303.402 2.357 50 0 DEAAMN CCOc1ccc(C[N@H+]2CCC[C@](CCOC)(C(=O)[O-])C2)cn1 ZINC000091680811 193090389 /nfs/dbraw/zinc/09/03/89/193090389.db2.gz FQGISXNPXRAHTA-QGZVFWFLSA-N 0 1 322.405 2.184 50 0 DEAAMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000262627754 203356708 /nfs/dbraw/zinc/35/67/08/203356708.db2.gz GKMQXBOVISVCKX-VXGBXAGGSA-N 0 1 323.368 2.132 50 0 DEAAMN COc1ccc(Cc2c(O)nc3n(c2=O)CCCS3)cc1 ZINC000008573007 181565995 /nfs/dbraw/zinc/56/59/95/181565995.db2.gz DQNXWUIQJSAVHQ-UHFFFAOYSA-N 0 1 304.371 2.044 50 0 DEAAMN CCNC(=O)[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000015594029 182008805 /nfs/dbraw/zinc/00/88/05/182008805.db2.gz MSGOKFDFZAUTTH-GFCCVEGCSA-N 0 1 318.396 2.242 50 0 DEAAMN CC(=O)c1cccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c1 ZINC000019791152 182149321 /nfs/dbraw/zinc/14/93/21/182149321.db2.gz HENNNNYYTVSMEH-IBGZPJMESA-N 0 1 318.461 2.414 50 0 DEAAMN CN(Cc1c[nH]nc1-c1ccc(F)cc1F)C[C@@H]1COCCO1 ZINC000020205601 182197781 /nfs/dbraw/zinc/19/77/81/182197781.db2.gz ISPUFHSHVDBTPZ-CYBMUJFWSA-N 0 1 323.343 2.202 50 0 DEAAMN COc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000040268493 183049847 /nfs/dbraw/zinc/04/98/47/183049847.db2.gz JTNGCOKHGKNTND-UHFFFAOYSA-N 0 1 303.343 2.372 50 0 DEAAMN O=C(NCCN1CCc2ccccc2C1)Nc1nccs1 ZINC000043160555 183342260 /nfs/dbraw/zinc/34/22/60/183342260.db2.gz DEDWHPBHHNQLSC-UHFFFAOYSA-N 0 1 302.403 2.323 50 0 DEAAMN Cc1nnc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000043412266 183361166 /nfs/dbraw/zinc/36/11/66/183361166.db2.gz CPBBPSOWTWBFFC-ZDUSSCGKSA-N 0 1 317.418 2.243 50 0 DEAAMN C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H](C)n1cccn1 ZINC000106668620 194241672 /nfs/dbraw/zinc/24/16/72/194241672.db2.gz FNCIOKIICZUBDG-GRDNDAEWSA-N 0 1 312.417 2.442 50 0 DEAAMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOC(C)(C)C ZINC000057843657 184056955 /nfs/dbraw/zinc/05/69/55/184056955.db2.gz VLMLQUAVFBFUKJ-LBPRGKRZSA-N 0 1 314.451 2.142 50 0 DEAAMN COc1cc([C@@H](C)NC(=O)C(F)(F)F)cc(OC)c1OC ZINC000058283548 184100275 /nfs/dbraw/zinc/10/02/75/184100275.db2.gz YZCFOLHAHLUENS-SSDOTTSWSA-N 0 1 307.268 2.452 50 0 DEAAMN NC(=O)[C@@H](NCCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000058343754 184107002 /nfs/dbraw/zinc/10/70/02/184107002.db2.gz LNTWTFCEVAJQCD-SFHVURJKSA-N 0 1 320.396 2.231 50 0 DEAAMN Cn1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(-c2ccncc2)n1 ZINC000060062150 184144210 /nfs/dbraw/zinc/14/42/10/184144210.db2.gz SRPJZUGLBXONQW-PKOBYXMFSA-N 0 1 320.396 2.230 50 0 DEAAMN Cc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1Cl ZINC000065164415 184313207 /nfs/dbraw/zinc/31/32/07/184313207.db2.gz QVGXXHDSLYLQBQ-UHFFFAOYSA-N 0 1 311.794 2.119 50 0 DEAAMN Cc1nnc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn12 ZINC000065199269 184314230 /nfs/dbraw/zinc/31/42/30/184314230.db2.gz QPTPAUDOGYDKDR-UHFFFAOYSA-N 0 1 324.312 2.117 50 0 DEAAMN COc1ccc(CNC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000065232559 184316269 /nfs/dbraw/zinc/31/62/69/184316269.db2.gz YXKRCLUUMPEFAL-UHFFFAOYSA-N 0 1 322.368 2.339 50 0 biogenic DEAAMN COc1ccc(CNC(=O)Cc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000065232559 184316271 /nfs/dbraw/zinc/31/62/71/184316271.db2.gz YXKRCLUUMPEFAL-UHFFFAOYSA-N 0 1 322.368 2.339 50 0 biogenic DEAAMN C[C@H](NCCNS(C)(=O)=O)c1cccc(Cl)c1Cl ZINC000158244015 197256392 /nfs/dbraw/zinc/25/63/92/197256392.db2.gz OVKYVAKOVGDEKB-QMMMGPOBSA-N 0 1 311.234 2.193 50 0 DEAAMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000155385144 197049900 /nfs/dbraw/zinc/04/99/00/197049900.db2.gz IGZOCKBZWWNPFA-RKDXNWHRSA-N 0 1 324.431 2.001 50 0 DEAAMN Cc1cc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc(N)n1 ZINC000054055988 291935977 /nfs/dbraw/zinc/93/59/77/291935977.db2.gz UEGASLFKIWSSIZ-LBPRGKRZSA-N 0 1 313.409 2.027 50 0 DEAAMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCCO1 ZINC000346834224 146150406 /nfs/dbraw/zinc/15/04/06/146150406.db2.gz NWZAAPWDUKKEPO-XKQJLSEDSA-N 0 1 317.433 2.116 50 0 DEAAMN COC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)s1 ZINC000003200057 401722658 /nfs/dbraw/zinc/72/26/58/401722658.db2.gz CDPOCUUDIDFHLG-UHFFFAOYSA-N 0 1 323.214 2.429 50 0 DEAAMN CCc1nc(SCC(=O)N2CCCc3ccccc32)n[nH]1 ZINC000005686679 401730385 /nfs/dbraw/zinc/73/03/85/401730385.db2.gz HMQQVMAMHIBCFA-UHFFFAOYSA-N 0 1 302.403 2.439 50 0 DEAAMN CCc1n[nH]c(SCC(=O)N2CCCc3ccccc32)n1 ZINC000005686679 401730388 /nfs/dbraw/zinc/73/03/88/401730388.db2.gz HMQQVMAMHIBCFA-UHFFFAOYSA-N 0 1 302.403 2.439 50 0 DEAAMN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1n[nH]c(C(F)(F)F)n1)C2=O ZINC000006829077 401733243 /nfs/dbraw/zinc/73/32/43/401733243.db2.gz KAAPBTDLKAJNJL-PWCHPLFNSA-N 0 1 316.283 2.139 50 0 DEAAMN CCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)n[nH]1 ZINC000008199309 401749496 /nfs/dbraw/zinc/74/94/96/401749496.db2.gz GBCSRJAPOVZVJO-UHFFFAOYSA-N 0 1 323.447 2.433 50 0 DEAAMN CCc1n[nH]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000008199309 401749497 /nfs/dbraw/zinc/74/94/97/401749497.db2.gz GBCSRJAPOVZVJO-UHFFFAOYSA-N 0 1 323.447 2.433 50 0 DEAAMN Cc1ncc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000071859758 401688798 /nfs/dbraw/zinc/68/87/98/401688798.db2.gz JKLWMBIMZPFYRP-CYBMUJFWSA-N 0 1 303.435 2.342 50 0 DEAAMN Cc1noc(C)c1CN(C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000071859803 401688867 /nfs/dbraw/zinc/68/88/67/401688867.db2.gz HYZBKGNIVPGGPS-OAHLLOKOSA-N 0 1 315.421 2.491 50 0 DEAAMN Cc1nc(CNC(=O)c2cc(Cl)cc3cccnc32)n[nH]1 ZINC000071882343 401691695 /nfs/dbraw/zinc/69/16/95/401691695.db2.gz VPVDZHAAUKTHTO-UHFFFAOYSA-N 0 1 301.737 2.245 50 0 DEAAMN CCNC(=O)CN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000072032405 401701537 /nfs/dbraw/zinc/70/15/37/401701537.db2.gz MFDWGOGBGBJEDY-UHFFFAOYSA-N 0 1 315.417 2.492 50 0 DEAAMN O=C(N[C@H]1CCc2nccn2C1)[C@@H](c1ccccc1)N1CCCC1 ZINC000072255118 401704125 /nfs/dbraw/zinc/70/41/25/401704125.db2.gz PYOZJMPLVYQFRS-FUHWJXTLSA-N 0 1 324.428 2.151 50 0 DEAAMN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1c(C)nn(C)c1Cl ZINC000072268846 401704708 /nfs/dbraw/zinc/70/47/08/401704708.db2.gz VEJAKVSKFSXGRP-GJZGRUSLSA-N 0 1 324.856 2.357 50 0 DEAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)NCC(F)(F)F ZINC000002636903 401716003 /nfs/dbraw/zinc/71/60/03/401716003.db2.gz VGYDKTGRMNLTPP-UHFFFAOYSA-N 0 1 322.337 2.304 50 0 DEAAMN Cc1nnc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3)c[nH]2)o1 ZINC000075427903 401759370 /nfs/dbraw/zinc/75/93/70/401759370.db2.gz CPVYURKSTGGTGR-UHFFFAOYSA-N 0 1 322.321 2.313 50 0 DEAAMN Cc1ccc(N2CCC[C@H](N3CCC(CO)CC3)C2=O)cc1 ZINC000075626499 401764881 /nfs/dbraw/zinc/76/48/81/401764881.db2.gz ICWIWDULNQYTJU-KRWDZBQOSA-N 0 1 302.418 2.195 50 0 DEAAMN O=C(CSc1nc(C2CC2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000011471835 401774396 /nfs/dbraw/zinc/77/43/96/401774396.db2.gz CTLKLSTWXQJWTE-UHFFFAOYSA-N 0 1 303.343 2.386 50 0 DEAAMN O=C(CSc1n[nH]c(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000011471835 401774399 /nfs/dbraw/zinc/77/43/99/401774399.db2.gz CTLKLSTWXQJWTE-UHFFFAOYSA-N 0 1 303.343 2.386 50 0 DEAAMN COc1cccc(-c2nnc(NC(=O)c3cc(C)no3)o2)c1 ZINC000012422432 401785713 /nfs/dbraw/zinc/78/57/13/401785713.db2.gz HOTPTYRHPIRKSC-UHFFFAOYSA-N 0 1 300.274 2.294 50 0 DEAAMN CC(C)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000025136878 401831516 /nfs/dbraw/zinc/83/15/16/401831516.db2.gz XAMIVLQASQPMJI-UHFFFAOYSA-N 0 1 300.406 2.048 50 0 DEAAMN Cc1cnc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1 ZINC000025461172 401834643 /nfs/dbraw/zinc/83/46/43/401834643.db2.gz ZBVVGXFATYEMTF-UHFFFAOYSA-N 0 1 324.428 2.352 50 0 DEAAMN CCN(CC)c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 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C[C@@H]1Cc2cc(-n3ccnc3-c3cc4n(n3)CCNC4)ccc2O1 ZINC000072425160 191160554 /nfs/dbraw/zinc/16/05/54/191160554.db2.gz VCTQLJKIQHOPDI-GFCCVEGCSA-N 0 1 321.384 2.162 50 0 DEAAMN Cc1cc([C@@H](C)C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c(C)o1 ZINC000076044868 355121646 /nfs/dbraw/zinc/12/16/46/355121646.db2.gz JFILRJFQTBSRLL-QMTHXVAHSA-N 0 1 318.377 2.027 50 0 DEAAMN Cc1nnc(SCC(=O)N[C@@H](c2ccncc2)C(C)C)[nH]1 ZINC000073673663 191340472 /nfs/dbraw/zinc/34/04/72/191340472.db2.gz WSTQSHDKIIPWCI-CYBMUJFWSA-N 0 1 305.407 2.114 50 0 DEAAMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccncc2)C(C)C)n1 ZINC000073673663 191340476 /nfs/dbraw/zinc/34/04/76/191340476.db2.gz WSTQSHDKIIPWCI-CYBMUJFWSA-N 0 1 305.407 2.114 50 0 DEAAMN Cn1cnnc1CN[C@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000195570305 356258126 /nfs/dbraw/zinc/25/81/26/356258126.db2.gz QCKFDPOZDSNOCH-HOTGVXAUSA-N 0 1 300.406 2.433 50 0 DEAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000229555671 356282312 /nfs/dbraw/zinc/28/23/12/356282312.db2.gz 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324.428 2.410 50 0 DEAAMN CCN1CCO[C@H](CCNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000067850186 402174641 /nfs/dbraw/zinc/17/46/41/402174641.db2.gz PTUICVIPJZRNOF-CQSZACIVSA-N 0 1 321.421 2.236 50 0 DEAAMN CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000067863317 402176507 /nfs/dbraw/zinc/17/65/07/402176507.db2.gz HFYAMMSKDROSFJ-ZDUSSCGKSA-N 0 1 316.449 2.482 50 0 DEAAMN O=C(NCc1ccccc1OCc1ccccc1)c1cnn[nH]1 ZINC000069416167 402222448 /nfs/dbraw/zinc/22/24/48/402222448.db2.gz RZJBQTKYBMKBCN-UHFFFAOYSA-N 0 1 308.341 2.314 50 0 DEAAMN O=C([O-])CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000069415304 402222617 /nfs/dbraw/zinc/22/26/17/402222617.db2.gz WRKVISKWSDFOFT-UHFFFAOYSA-N 0 1 304.415 2.494 50 0 DEAAMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C3CCCCC3)CCO2)n[nH]1 ZINC000107140160 402226367 /nfs/dbraw/zinc/22/63/67/402226367.db2.gz NKNZBELXYWYBME-KKUMJFAQSA-N 0 1 318.421 2.229 50 0 DEAAMN Cc1nc([C@H](NC(=O)c2cccc(C)n2)c2ccccc2)n[nH]1 ZINC000069493610 402226834 /nfs/dbraw/zinc/22/68/34/402226834.db2.gz 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/nfs/dbraw/zinc/28/05/28/402280528.db2.gz DGJKJBBXQPAORZ-HNNXBMFYSA-N 0 1 320.433 2.312 50 0 DEAAMN CCOC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000071821794 402282334 /nfs/dbraw/zinc/28/23/34/402282334.db2.gz SZZUCSLEVSFHAL-UHFFFAOYSA-N 0 1 321.808 2.349 50 0 DEAAMN CCc1ncc(CN2CCCN(Cc3ccncc3)CC2)cn1 ZINC000215401511 402283276 /nfs/dbraw/zinc/28/32/76/402283276.db2.gz RGSQGRPMUCWVPB-UHFFFAOYSA-N 0 1 311.433 2.142 50 0 DEAAMN Cc1nc(C)c([C@@H](C)NCc2c(C)nn(CCO)c2C)s1 ZINC000071825237 402283465 /nfs/dbraw/zinc/28/34/65/402283465.db2.gz NFUQIZVNOALLIH-SNVBAGLBSA-N 0 1 308.451 2.416 50 0 DEAAMN O=C(NCC1([NH+]2CCCCC2)CCCC1)c1ccc([O-])cn1 ZINC000215901509 402285654 /nfs/dbraw/zinc/28/56/54/402285654.db2.gz LRPNLVBOJJLAKU-UHFFFAOYSA-N 0 1 303.406 2.316 50 0 DEAAMN Cc1nc([C@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)n[nH]1 ZINC000220045700 402300408 /nfs/dbraw/zinc/30/04/08/402300408.db2.gz ZFYXRBMHHKZDEW-ZETCQYMHSA-N 0 1 302.334 2.025 50 0 DEAAMN CCOc1cccc(C(=O)NCCSc2nnc(C)[nH]2)c1 ZINC000221315638 402303410 /nfs/dbraw/zinc/30/34/10/402303410.db2.gz SYFWGZZSCZUJNP-UHFFFAOYSA-N 0 1 306.391 2.034 50 0 DEAAMN Cc1nnc(SCCNC(=O)c2ccc(F)cc2Cl)[nH]1 ZINC000223676449 402312081 /nfs/dbraw/zinc/31/20/81/402312081.db2.gz ZWSPTMPTUWPMKN-UHFFFAOYSA-N 0 1 314.773 2.428 50 0 DEAAMN COc1ccccc1CNC(=O)CCN(C)Cc1ccoc1 ZINC000244828554 402450034 /nfs/dbraw/zinc/45/00/34/402450034.db2.gz TYHCSYAXRSNHBS-UHFFFAOYSA-N 0 1 302.374 2.427 50 0 DEAAMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237594475 402414715 /nfs/dbraw/zinc/41/47/15/402414715.db2.gz XPVVSAHMNKEQCD-SMDDNHRTSA-N 0 1 324.808 2.408 50 0 DEAAMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237594475 402414716 /nfs/dbraw/zinc/41/47/16/402414716.db2.gz XPVVSAHMNKEQCD-SMDDNHRTSA-N 0 1 324.808 2.408 50 0 DEAAMN Cc1cc(CN(C)c2nc(C(F)(F)F)nc3[nH]cnc32)no1 ZINC000240454663 402442148 /nfs/dbraw/zinc/44/21/48/402442148.db2.gz FXXUYNZNVQGQLI-UHFFFAOYSA-N 0 1 312.255 2.305 50 0 DEAAMN C[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)C[C@@H](C)N1 ZINC000247326169 402564074 /nfs/dbraw/zinc/56/40/74/402564074.db2.gz UFDXKNONPOOIQL-RBSFLKMASA-N 0 1 318.417 2.067 50 0 DEAAMN CO[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000248128477 402583771 /nfs/dbraw/zinc/58/37/71/402583771.db2.gz MLCNIXQMQJUZSH-ZACQAIPSSA-N 0 1 302.418 2.459 50 0 DEAAMN Nc1nc(NCCCCc2ccccn2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000252539222 402658540 /nfs/dbraw/zinc/65/85/40/402658540.db2.gz NWVZXHKGZLSZQH-XBXGTLAGSA-N 0 1 313.405 2.127 50 0 DEAAMN Cc1ccc([C@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)cc1 ZINC000252501283 402656807 /nfs/dbraw/zinc/65/68/07/402656807.db2.gz UDKFVTSKOREFLZ-OAHLLOKOSA-N 0 1 318.417 2.311 50 0 DEAAMN Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)[O-])CCNC(=O)CC2)c1 ZINC000257178183 402700656 /nfs/dbraw/zinc/70/06/56/402700656.db2.gz FXLNQRQYYVQPAQ-MRXNPFEDSA-N 0 1 318.417 2.188 50 0 DEAAMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000263568460 402782504 /nfs/dbraw/zinc/78/25/04/402782504.db2.gz HABBWMFKLBPYJN-KRWDZBQOSA-N 0 1 318.417 2.072 50 0 DEAAMN CC(C)c1nc([C@H]2CCCCN2C(=O)N[C@@H]2CCCOC2)n[nH]1 ZINC000408522902 403824695 /nfs/dbraw/zinc/82/46/95/403824695.db2.gz DWBZCIPCNYUSRS-CHWSQXEVSA-N 0 1 321.425 2.344 50 0 DEAAMN c1nnc([C@@H](NCc2cnc3n2CCCC3)c2ccccc2)[nH]1 ZINC000367408494 405040372 /nfs/dbraw/zinc/04/03/72/405040372.db2.gz VEHPUUOSAQRZSA-INIZCTEOSA-N 0 1 308.389 2.217 50 0 DEAAMN C[C@@H]1CNCCN1C(=O)NCCOc1cccc2ccccc21 ZINC000417158238 405050022 /nfs/dbraw/zinc/05/00/22/405050022.db2.gz DYOYJOQZZGSDGQ-CQSZACIVSA-N 0 1 313.401 2.222 50 0 DEAAMN C[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000426488568 405364051 /nfs/dbraw/zinc/36/40/51/405364051.db2.gz YIKSPGCZQSHVOS-HNNXBMFYSA-N 0 1 304.390 2.193 50 0 DEAAMN Cc1nc(C[N@H+]2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)cs1 ZINC000426701423 405375163 /nfs/dbraw/zinc/37/51/63/405375163.db2.gz NHTQSKKQHSQOHQ-GFCCVEGCSA-N 0 1 320.418 2.112 50 0 DEAAMN CN(CCc1ccccc1)CC(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000585132358 405875175 /nfs/dbraw/zinc/87/51/75/405875175.db2.gz UVALFJZCGGTJAN-KRWDZBQOSA-N 0 1 318.461 2.170 50 0 DEAAMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCN1 ZINC000188370496 225018670 /nfs/dbraw/zinc/01/86/70/225018670.db2.gz GDSYRVGOBMOTOI-DDTOSNHZSA-N 0 1 323.234 2.373 50 0 DEAAMN Cc1ccnc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000041096157 418415585 /nfs/dbraw/zinc/41/55/85/418415585.db2.gz ACUIPXZKGGRTOV-UHFFFAOYSA-N 0 1 316.338 2.297 50 0 DEAAMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC2(CC1)OCCO2 ZINC000047496686 424826313 /nfs/dbraw/zinc/82/63/13/424826313.db2.gz DIZYSUQVDMSXTP-RBSFLKMASA-N 0 1 310.438 2.003 50 0 DEAAMN CN1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000008178088 277052622 /nfs/dbraw/zinc/05/26/22/277052622.db2.gz GRPHXBFGQMYZKT-UHFFFAOYSA-N 0 1 318.808 2.028 50 0 DEAAMN COc1cc2nc(Cl)nc(N3CCN(C)CC3)c2cc1OC ZINC000002026564 277857536 /nfs/dbraw/zinc/85/75/36/277857536.db2.gz QDRZTXVHTDMNBH-UHFFFAOYSA-N 0 1 322.796 2.052 50 0 DEAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)[O-])CC1 ZINC000263173342 279374576 /nfs/dbraw/zinc/37/45/76/279374576.db2.gz SJVUKQGORIDSDF-STQMWFEESA-N 0 1 323.412 2.091 50 0 DEAAMN O=S(=O)(Nc1ncccn1)c1ccc(Br)cc1 ZINC000005260288 280339024 /nfs/dbraw/zinc/33/90/24/280339024.db2.gz DYOFXXWJWVBLHW-UHFFFAOYSA-N 0 1 314.164 2.040 50 0 DEAAMN CC1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000007459820 281807208 /nfs/dbraw/zinc/80/72/08/281807208.db2.gz ZVETYSLPZKBDQO-CQSZACIVSA-N 0 1 315.417 2.482 50 0 DEAAMN C[C@H](C(=O)N(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684280 289242901 /nfs/dbraw/zinc/24/29/01/289242901.db2.gz KLCKUMOFHHKUHW-UKRRQHHQSA-N 0 1 318.417 2.462 50 0 DEAAMN Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)c(C)c1 ZINC000091706395 301197343 /nfs/dbraw/zinc/19/73/43/301197343.db2.gz FYIRHEXOOYHIFL-HZPDHXFCSA-N 0 1 322.474 2.327 50 0 DEAAMN COc1ccc(-c2n[nH]c(SC[C@@H](O)C(F)(F)F)n2)cc1 ZINC000157977942 337383343 /nfs/dbraw/zinc/38/33/43/337383343.db2.gz 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405872448 /nfs/dbraw/zinc/87/24/48/405872448.db2.gz SZQVVTZUMPYUPV-UHFFFAOYSA-N 0 1 317.382 2.393 50 0 DEAAMN COc1ccc(-c2cc(C(=O)N3CCc4nc[nH]c4C3)[nH]n2)cc1 ZINC000646257941 406827333 /nfs/dbraw/zinc/82/73/33/406827333.db2.gz SZYYBCCVUPLYHX-UHFFFAOYSA-N 0 1 323.356 2.007 50 0 DEAAMN Cc1cnc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 ZINC000069367289 418488071 /nfs/dbraw/zinc/48/80/71/418488071.db2.gz LPLBFFVSWQPXSL-UHFFFAOYSA-N 0 1 322.367 2.359 50 0 DEAAMN C[C@H](C(=O)Nc1ccccc1C(N)=O)N1C[C@H](C)C[C@H](C)C1 ZINC000103327204 424848683 /nfs/dbraw/zinc/84/86/83/424848683.db2.gz AAAHTGPODDTJHQ-FRRDWIJNSA-N 0 1 303.406 2.090 50 0 DEAAMN CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663094474 425796406 /nfs/dbraw/zinc/79/64/06/425796406.db2.gz BNWSARDMSURMEF-MRXNPFEDSA-N 0 1 324.465 2.456 50 0 DEAAMN CN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000009478957 277030921 /nfs/dbraw/zinc/03/09/21/277030921.db2.gz DXRUASMGGNZYPX-UHFFFAOYSA-N 0 1 322.352 2.078 50 0 DEAAMN COc1ccnc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000222275475 278064360 /nfs/dbraw/zinc/06/43/60/278064360.db2.gz UPQNWRUVDCBATH-GUYCJALGSA-N 0 1 315.417 2.066 50 0 DEAAMN C[C@@H](CNC(=O)Nc1cnns1)N1CCc2ccccc2C1 ZINC000192323802 278278648 /nfs/dbraw/zinc/27/86/48/278278648.db2.gz DWAFQQWYQLMHBK-NSHDSACASA-N 0 1 317.418 2.106 50 0 DEAAMN CC(C)[C@H](NC(=O)CN1CCN(C)C[C@@H]1C)c1cccs1 ZINC000229806482 280295118 /nfs/dbraw/zinc/29/51/18/280295118.db2.gz LKEGPJMBZLPZAP-BBRMVZONSA-N 0 1 309.479 2.197 50 0 DEAAMN Cc1nc(CN2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)no1 ZINC000215934009 333387549 /nfs/dbraw/zinc/38/75/49/333387549.db2.gz OVOXYTPIWJIKOV-HOTGVXAUSA-N 0 1 316.449 2.488 50 0 DEAAMN Cc1cccc([C@H](CN=c2nc(N(C)C)[nH]s2)N(C)C)c1 ZINC000534590875 334294264 /nfs/dbraw/zinc/29/42/64/334294264.db2.gz JYAQGLFUAZNMAX-ZDUSSCGKSA-N 0 1 305.451 2.049 50 0 DEAAMN CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)NCCCCCO ZINC000426538329 500772438 /nfs/dbraw/zinc/77/24/38/500772438.db2.gz HHWQSHJTRCPLNO-UHFFFAOYSA-N 0 1 322.384 2.049 50 0 DEAAMN O=C(CCN1CCC[C@H]1c1nnc[nH]1)Nc1ccc(F)cc1 ZINC000408524253 534403516 /nfs/dbraw/zinc/40/35/16/534403516.db2.gz RLQIMYDHBIVXLB-ZDUSSCGKSA-N 0 1 303.341 2.110 50 0 DEAAMN CCOCCN1CCN(c2ncnc3ccccc32)C[C@H]1C ZINC000248288572 528758204 /nfs/dbraw/zinc/75/82/04/528758204.db2.gz IBEZPFZYTXEUKI-CQSZACIVSA-N 0 1 300.406 2.177 50 0 DEAAMN Cc1ccccc1[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000091845539 624649269 /nfs/dbraw/zinc/64/92/69/624649269.db2.gz AVGRIRKCJXAXNW-DLBZAZTESA-N 0 1 313.401 2.071 50 0 DEAAMN O=C(NC1CC1)[C@@H]1CCCN1CCOc1ccc(Cl)cc1 ZINC000045096750 646460182 /nfs/dbraw/zinc/46/01/82/646460182.db2.gz YJERUOFHTXKYPS-HNNXBMFYSA-N 0 1 308.809 2.462 50 0 DEAAMN Cc1nc(COC(=O)Cc2cscc2Br)n[nH]1 ZINC000814565019 646907814 /nfs/dbraw/zinc/90/78/14/646907814.db2.gz CMXYLWLOXLQZMR-UHFFFAOYSA-N 0 1 316.180 2.223 50 0 DEAAMN CC(C)C(=O)N1CC(c2noc([C@H]3CCCN3CC3CC3)n2)C1 ZINC000575542299 784252434 /nfs/dbraw/zinc/25/24/34/784252434.db2.gz OCUWSXLAYMYZGK-CQSZACIVSA-N 0 1 318.421 2.198 50 0 DEAAMN CC(C)CN(Cc1ccncc1)C1CN(C(=O)c2ccccn2)C1 ZINC000581776421 784774428 /nfs/dbraw/zinc/77/44/28/784774428.db2.gz PLXSYNYYVWAIEB-UHFFFAOYSA-N 0 1 324.428 2.459 50 0 DEAAMN Cc1cnc(C2CC2)n1C1CCN(C(=O)c2nccn2C)CC1 ZINC000581808787 784786662 /nfs/dbraw/zinc/78/66/62/784786662.db2.gz MPZLAFUGTVJDNQ-UHFFFAOYSA-N 0 1 313.405 2.280 50 0 DEAAMN Cc1[nH]nc(Cl)c1CN(C)CC(C)(C)CN1CCOCC1 ZINC000585117064 789704682 /nfs/dbraw/zinc/70/46/82/789704682.db2.gz QCEBHKIENQDJQE-UHFFFAOYSA-N 0 1 314.861 2.162 50 0 DEAAMN COc1ccc2[nH]c(CNCc3cnc(N(C)C)nc3)cc2c1 ZINC000952978757 792843851 /nfs/dbraw/zinc/84/38/51/792843851.db2.gz BYERZPIBAFKFIG-UHFFFAOYSA-N 0 1 311.389 2.322 50 0 DEAAMN COCC1(CC(=O)Nc2cc3oc(=O)sc3cc2O)CC1 ZINC000952993120 792855098 /nfs/dbraw/zinc/85/50/98/792855098.db2.gz CYXSVWQARBWFML-UHFFFAOYSA-N 0 1 309.343 2.315 50 0 DEAAMN CC(C)NC(=O)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000236701341 796905220 /nfs/dbraw/zinc/90/52/20/796905220.db2.gz HRIATXSATIUGGT-INIZCTEOSA-N 0 1 311.385 2.463 50 0 DEAAMN CCn1nncc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000838911625 799547323 /nfs/dbraw/zinc/54/73/23/799547323.db2.gz AMZBFERNTCKJAZ-CYBMUJFWSA-N 0 1 313.405 2.276 50 0 DEAAMN COc1ccc(Cl)cc1[C@H](C(=O)[O-])[N@@H+](C)CC1(C)COC1 ZINC001529138507 1070877255 /nfs/dbraw/zinc/87/72/55/1070877255.db2.gz DNLNORANZBNVJM-CYBMUJFWSA-N 0 1 313.781 2.443 50 0 DEAAMN CCCn1nc(C)cc1NC(=O)CC[C@H](C)N1CCOCC1 ZINC001529159878 1070891868 /nfs/dbraw/zinc/89/18/68/1070891868.db2.gz UATYOCSUSITFEO-AWEZNQCLSA-N 0 1 308.426 2.041 50 0 DEAAMN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(C(C)C)n[nH]3)c12 ZINC000095474419 185373129 /nfs/dbraw/zinc/37/31/29/185373129.db2.gz WRTYGMZLALMXSW-UHFFFAOYSA-N 0 1 313.365 2.079 50 0 DEAAMN Cc1nn(C)c2nc(C)cc(C(=O)Nc3n[nH]c(C(C)C)n3)c12 ZINC000095474419 185373130 /nfs/dbraw/zinc/37/31/30/185373130.db2.gz WRTYGMZLALMXSW-UHFFFAOYSA-N 0 1 313.365 2.079 50 0 DEAAMN Cc1nc[nH]c1-c1nccn1C[C@H](CO)Cc1cccs1 ZINC000082108439 192356043 /nfs/dbraw/zinc/35/60/43/192356043.db2.gz VDPDTKRYPJXAHL-GFCCVEGCSA-N 0 1 302.403 2.494 50 0 DEAAMN Cc1nnc(SCC(=O)N2CCc3cc(F)ccc3[C@@H]2C)[nH]1 ZINC000081432350 539382551 /nfs/dbraw/zinc/38/25/51/539382551.db2.gz LDSLPUHYWUSLCU-VIFPVBQESA-N 0 1 320.393 2.490 50 0 DEAAMN Cc1n[nH]c(SCC(=O)N2CCc3cc(F)ccc3[C@@H]2C)n1 ZINC000081432350 539382558 /nfs/dbraw/zinc/38/25/58/539382558.db2.gz LDSLPUHYWUSLCU-VIFPVBQESA-N 0 1 320.393 2.490 50 0 DEAAMN CC(C)c1noc([C@H](C)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)n1 ZINC000084714685 539398199 /nfs/dbraw/zinc/39/81/99/539398199.db2.gz HJAXOMUPYQDMHH-SGMGOOAPSA-N 0 1 320.437 2.491 50 0 DEAAMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(COC)o1)CC2 ZINC000093613197 539432155 /nfs/dbraw/zinc/43/21/55/539432155.db2.gz NZDRUGZOQOFABD-JKSUJKDBSA-N 0 1 309.406 2.178 50 0 DEAAMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cn2ccccc2n1 ZINC000069951050 190841622 /nfs/dbraw/zinc/84/16/22/190841622.db2.gz KOGONACNTSRXAR-SJORKVTESA-N 0 1 312.417 2.310 50 0 DEAAMN Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc4c[nH]nc43)C2)n1 ZINC000072235362 191080209 /nfs/dbraw/zinc/08/02/09/191080209.db2.gz FJYPYKPGDXEYHN-CQSZACIVSA-N 0 1 324.388 2.249 50 0 DEAAMN Cc1nc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccccc2)n[nH]1 ZINC000171503650 186169709 /nfs/dbraw/zinc/16/97/09/186169709.db2.gz CRNKMRYQLXTHSY-OAHLLOKOSA-N 0 1 323.356 2.498 50 0 DEAAMN O=C(Nc1ccnc2ccnn21)c1cc(-c2cccs2)n[nH]1 ZINC000072287180 191106384 /nfs/dbraw/zinc/10/63/84/191106384.db2.gz ATRKINHYTQJPRB-UHFFFAOYSA-N 0 1 310.342 2.433 50 0 DEAAMN Cc1ccc(CCNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)s1 ZINC000253394011 186304056 /nfs/dbraw/zinc/30/40/56/186304056.db2.gz WCZBBILBSCGXJU-PHIMTYICSA-N 0 1 304.419 2.322 50 0 DEAAMN CC(C)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000003605760 181039545 /nfs/dbraw/zinc/03/95/45/181039545.db2.gz RGMCFXPJGLLVKK-UHFFFAOYSA-N 0 1 317.418 2.495 50 0 DEAAMN Cn1nnnc1SCCNCc1c(Cl)cccc1Cl ZINC000004488539 181114584 /nfs/dbraw/zinc/11/45/84/181114584.db2.gz XYEKBAKLEULFDL-UHFFFAOYSA-N 0 1 318.233 2.399 50 0 DEAAMN Cc1cc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)n[nH]1 ZINC000076059868 355122616 /nfs/dbraw/zinc/12/26/16/355122616.db2.gz XUULXHKCNPCHRZ-CQSZACIVSA-N 0 1 301.394 2.101 50 0 DEAAMN Cc1noc(C2CCN(Cc3ccc4c(c3)nnn4C)CC2)n1 ZINC000079105563 355296841 /nfs/dbraw/zinc/29/68/41/355296841.db2.gz DRTGTEHPWYXOLC-UHFFFAOYSA-N 0 1 312.377 2.039 50 0 DEAAMN CCO[C@H]1C[C@@H](NC(=O)NCCCc2cn[nH]c2C)C12CCC2 ZINC000080567978 355372002 /nfs/dbraw/zinc/37/20/02/355372002.db2.gz DLUTWKGTXGKFOX-CABCVRRESA-N 0 1 320.437 2.298 50 0 DEAAMN CCCc1nc([C@H]2CN([C@@H](C)c3cccnc3)CCO2)n[nH]1 ZINC000084759008 355487548 /nfs/dbraw/zinc/48/75/48/355487548.db2.gz IWOHUXUZAKDFIO-GXTWGEPZSA-N 0 1 301.394 2.287 50 0 DEAAMN CCCc1n[nH]c([C@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 ZINC000084759008 355487550 /nfs/dbraw/zinc/48/75/50/355487550.db2.gz IWOHUXUZAKDFIO-GXTWGEPZSA-N 0 1 301.394 2.287 50 0 DEAAMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(Cc2cccnc2)C1 ZINC000089364925 355528605 /nfs/dbraw/zinc/52/86/05/355528605.db2.gz ZJSAMSQOKGWROM-HNNXBMFYSA-N 0 1 313.405 2.048 50 0 DEAAMN C[C@H](C(N)=O)N(C)Cc1ccc(Br)c2cccnc12 ZINC000097371960 355704461 /nfs/dbraw/zinc/70/44/61/355704461.db2.gz JICBZHYEBPARBE-SECBINFHSA-N 0 1 322.206 2.303 50 0 DEAAMN Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000093455021 355682609 /nfs/dbraw/zinc/68/26/09/355682609.db2.gz ALDBGILINPPZCW-AWEZNQCLSA-N 0 1 306.435 2.131 50 0 DEAAMN COc1nc(C(=O)N(Cc2cccs2)C2CC2)cc(=O)[nH]1 ZINC000170083320 355986151 /nfs/dbraw/zinc/98/61/51/355986151.db2.gz FVOYIRYJDCKZOU-UHFFFAOYSA-N 0 1 305.359 2.057 50 0 DEAAMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[nH]ccc1=O ZINC000170610214 355989210 /nfs/dbraw/zinc/98/92/10/355989210.db2.gz VJBHCEOVAHETFV-MRXNPFEDSA-N 0 1 311.385 2.354 50 0 DEAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000184877652 356198726 /nfs/dbraw/zinc/19/87/26/356198726.db2.gz MSSSUZRCOXEGBW-LBPRGKRZSA-N 0 1 312.373 2.113 50 0 DEAAMN CN1CCN(CCOc2ccc(Br)cc2F)CC1 ZINC000230555032 356284041 /nfs/dbraw/zinc/28/40/41/356284041.db2.gz 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2.160 50 0 DEAAMN C[C@H](c1cccnc1)N1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095451578 278314124 /nfs/dbraw/zinc/31/41/24/278314124.db2.gz JJVCIWMHAXIOPC-XPGWFJOJSA-N 0 1 323.440 2.419 50 0 DEAAMN C[C@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCO1 ZINC000043136481 278401505 /nfs/dbraw/zinc/40/15/05/278401505.db2.gz XZOFFMQPXFDDCG-LSDHHAIUSA-N 0 1 321.421 2.237 50 0 DEAAMN C[C@H](CCc1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229499446 279274070 /nfs/dbraw/zinc/27/40/70/279274070.db2.gz VXJIKDCXSBZBCN-NVXWUHKLSA-N 0 1 300.406 2.000 50 0 DEAAMN O=C(c1cc(-c2ccco2)on1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000095989290 280159643 /nfs/dbraw/zinc/15/96/43/280159643.db2.gz MYHZDSZFTUAFAI-LLVKDONJSA-N 0 1 313.317 2.420 50 0 DEAAMN Cc1ccc([C@@H]2CN(S(=O)(=O)C(C)C)C[C@H]2N(C)C)cc1 ZINC000095529792 280962311 /nfs/dbraw/zinc/96/23/11/280962311.db2.gz FSOHXWAUBXNJLY-JKSUJKDBSA-N 0 1 310.463 2.063 50 0 DEAAMN Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(CN3CCCC3)o2)n1 ZINC000534574456 334287478 /nfs/dbraw/zinc/28/74/78/334287478.db2.gz 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C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(CCC(=O)[O-])CC2 ZINC000095526422 1088632214 /nfs/dbraw/zinc/63/22/14/1088632214.db2.gz GVBTWZLOPQDTKT-INIZCTEOSA-N 0 1 302.418 2.415 50 0 DEAAMN CC[C@@H](C)S(=O)(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000822646492 1090639692 /nfs/dbraw/zinc/63/96/92/1090639692.db2.gz ZATPIXNUGALWLR-SNVBAGLBSA-N 0 1 313.398 2.353 50 0 DEAAMN COc1ccc(CCc2nc(NC(=O)c3ccccn3)n[nH]2)cc1 ZINC000095475561 185373347 /nfs/dbraw/zinc/37/33/47/185373347.db2.gz NGCKYFQAWURAFB-UHFFFAOYSA-N 0 1 323.356 2.246 50 0 DEAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3ccccn3)n2)cc1 ZINC000095475561 185373348 /nfs/dbraw/zinc/37/33/48/185373348.db2.gz NGCKYFQAWURAFB-UHFFFAOYSA-N 0 1 323.356 2.246 50 0 DEAAMN C[C@]1(c2ccccc2)CCCN(CC(=O)NC2CCOCC2)C1 ZINC000079097498 185158102 /nfs/dbraw/zinc/15/81/02/185158102.db2.gz MYZJKJDLABOKML-IBGZPJMESA-N 0 1 316.445 2.335 50 0 DEAAMN CCC[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000082138477 192360134 /nfs/dbraw/zinc/36/01/34/192360134.db2.gz LFSRPHZFOARQBY-FRFGOACMSA-N 0 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319.792 2.087 50 0 DEAAMN Cc1ccc2nc(SCC(=O)NCc3nccn3C)[nH]c2c1 ZINC000215430294 402283114 /nfs/dbraw/zinc/28/31/14/402283114.db2.gz UCVASKAKUQILNQ-UHFFFAOYSA-N 0 1 315.402 2.013 50 0 DEAAMN Cc1csc(SCC(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)n1 ZINC000215596321 402284147 /nfs/dbraw/zinc/28/41/47/402284147.db2.gz ANCGMEZZPQSQNS-SNVBAGLBSA-N 0 1 323.447 2.334 50 0 DEAAMN O=C([O-])Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000215688306 402284775 /nfs/dbraw/zinc/28/47/75/402284775.db2.gz CDEUMGCICOKHSZ-UHFFFAOYSA-N 0 1 312.369 2.208 50 0 DEAAMN O[C@H]1CCC[N@@H+](Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000216536449 402289461 /nfs/dbraw/zinc/28/94/61/402289461.db2.gz IKHJENOFPBDMNY-KRWDZBQOSA-N 0 1 312.417 2.436 50 0 DEAAMN O[C@H]1CCCN(Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000216536449 402289463 /nfs/dbraw/zinc/28/94/63/402289463.db2.gz IKHJENOFPBDMNY-KRWDZBQOSA-N 0 1 312.417 2.436 50 0 DEAAMN Cc1ccc2nc(CCNC(=O)[C@H]3CCC[C@H](O)C3)[nH]c2c1C ZINC000220516364 402301441 /nfs/dbraw/zinc/30/14/41/402301441.db2.gz 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