smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000028197198 202165736 /nfs/dbraw/zinc/16/57/36/202165736.db2.gz MNBWNZCLTAIWDP-UHFFFAOYSA-N 0 1 327.793 1.887 50 0 EDAAMN CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3nc(C)nn32)cc1 ZINC000031817065 202211269 /nfs/dbraw/zinc/21/12/69/202211269.db2.gz QWBCDDNZZOFYJI-LBPRGKRZSA-N 0 1 328.332 1.067 50 0 EDAAMN NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000000101140 283282916 /nfs/dbraw/zinc/28/29/16/283282916.db2.gz HDXGZHRBCBGPJD-AWEZNQCLSA-N 0 1 349.818 1.165 50 0 EDAAMN CCOC(=O)CCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000032931173 202242799 /nfs/dbraw/zinc/24/27/99/202242799.db2.gz UWKZTNSPRRAKEC-UHFFFAOYSA-N 0 1 333.432 1.716 50 0 EDAAMN CCN(CC)Cc1c(C(=O)c2ccccc2C)c(=O)n(C)c(=O)n1C ZINC000036366487 202323889 /nfs/dbraw/zinc/32/38/89/202323889.db2.gz JOVFGGVQGRADPX-UHFFFAOYSA-N 0 1 343.427 1.465 50 0 EDAAMN Cc1nc([C@@H]2CN([C@@H]3CCN(c4ccccc4F)C3=O)CCO2)n[nH]1 ZINC000076048614 202385207 /nfs/dbraw/zinc/38/52/07/202385207.db2.gz BVKXDJOCFGIKFF-CABCVRRESA-N 0 1 345.378 1.431 50 0 EDAAMN Cc1nc([C@H]2CN(C(=O)CCCc3nc(C4CC4)no3)CCO2)n[nH]1 ZINC000076045602 202379496 /nfs/dbraw/zinc/37/94/96/202379496.db2.gz LRPAXVZHFSEXRC-GFCCVEGCSA-N 0 1 346.391 1.296 50 0 EDAAMN CC(=O)N1CCN(C(=O)CN2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900787 202379702 /nfs/dbraw/zinc/37/97/02/202379702.db2.gz DTLQXUASPNGXBG-RDTXWAMCSA-N 0 1 347.434 1.899 50 0 EDAAMN Cc1nc([C@@H]2CN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CCO2)n[nH]1 ZINC000076045235 202379899 /nfs/dbraw/zinc/37/98/99/202379899.db2.gz WMHRMYHNGBZPDU-KGLIPLIRSA-N 0 1 332.335 1.156 50 0 EDAAMN Cc1nc([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n[nH]1 ZINC000076046696 202385678 /nfs/dbraw/zinc/38/56/78/202385678.db2.gz TVHJEFZQTSZNNT-HNNXBMFYSA-N 0 1 340.387 1.453 50 0 EDAAMN COc1ccccc1CC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000040539528 202451012 /nfs/dbraw/zinc/45/10/12/202451012.db2.gz YPEWXJDYTQUQKD-UHFFFAOYSA-N 0 1 332.444 1.809 50 0 EDAAMN COC(=O)[C@@H](CN1CCCCC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000032765190 291252852 /nfs/dbraw/zinc/25/28/52/291252852.db2.gz SCSDWNVBPVRPEB-BXUZGUMPSA-N 0 1 349.353 1.445 50 0 EDAAMN CCc1nc(SCC(=O)NCc2ccccc2-n2cccn2)n[nH]1 ZINC000055244234 202685508 /nfs/dbraw/zinc/68/55/08/202685508.db2.gz YTLVEACYQZVCCW-UHFFFAOYSA-N 0 1 342.428 1.961 50 0 EDAAMN CCc1n[nH]c(SCC(=O)NCc2ccccc2-n2cccn2)n1 ZINC000055244234 202685510 /nfs/dbraw/zinc/68/55/10/202685510.db2.gz YTLVEACYQZVCCW-UHFFFAOYSA-N 0 1 342.428 1.961 50 0 EDAAMN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000216413673 241191964 /nfs/dbraw/zinc/19/19/64/241191964.db2.gz OBKAZOVHNOCKEL-HNNXBMFYSA-N 0 1 340.387 1.277 50 0 EDAAMN CN(CC1CC1)C(=O)CN1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069588294 203023458 /nfs/dbraw/zinc/02/34/58/203023458.db2.gz JVGZZJXJHHNXCB-UHFFFAOYSA-N 0 1 341.459 1.943 50 0 EDAAMN Cn1c(Cl)c(Cl)cc1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000069622868 203029422 /nfs/dbraw/zinc/02/94/22/203029422.db2.gz ZPSFZLRAWFHBCJ-SNVBAGLBSA-N 0 1 347.246 1.402 50 0 EDAAMN C[C@@H](CNC(=O)CCCOc1ccccc1F)N1CCN(C)CC1 ZINC000069878993 203059900 /nfs/dbraw/zinc/05/99/00/203059900.db2.gz ZOLDQJREXMIRNJ-HNNXBMFYSA-N 0 1 337.439 1.737 50 0 EDAAMN COCCn1cncc1CN1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071764911 203111049 /nfs/dbraw/zinc/11/10/49/203111049.db2.gz JMXLQDRIDQSVQY-GOSISDBHSA-N 0 1 348.491 1.998 50 0 EDAAMN Cc1cc(C)n2nc(CC(=O)N3CCN(C4CCCC4)CC3)nc2n1 ZINC000071795531 203114343 /nfs/dbraw/zinc/11/43/43/203114343.db2.gz OMDSYOHQTTXZON-UHFFFAOYSA-N 0 1 342.447 1.370 50 0 EDAAMN Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000071839726 203124917 /nfs/dbraw/zinc/12/49/17/203124917.db2.gz FCPKAMQVSQEEHY-INIZCTEOSA-N 0 1 341.459 1.975 50 0 EDAAMN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](OCCO)C1 ZINC000071909022 203146399 /nfs/dbraw/zinc/14/63/99/203146399.db2.gz GJXWDYXGZPWYDZ-BBRMVZONSA-N 0 1 340.851 1.818 50 0 EDAAMN C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CCN(C)CC1 ZINC000071867455 203133059 /nfs/dbraw/zinc/13/30/59/203133059.db2.gz YPFVUTGPMJJTCT-LBPRGKRZSA-N 0 1 340.265 1.815 50 0 EDAAMN COc1cccc(CO[C@@H](C)C(=O)Nc2c(C)n[nH]c2C(N)=O)c1 ZINC000071888295 203137651 /nfs/dbraw/zinc/13/76/51/203137651.db2.gz BRMBTUUKZUARND-JTQLQIEISA-N 0 1 332.360 1.369 50 0 EDAAMN Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)Cc2ccn(C)c2)CC1 ZINC000072447355 203226186 /nfs/dbraw/zinc/22/61/86/203226186.db2.gz QHPSXUZTXBELOP-UHFFFAOYSA-N 0 1 330.388 1.175 50 0 EDAAMN CCN(C(=O)c1cn[nH]c1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000077319795 203379422 /nfs/dbraw/zinc/37/94/22/203379422.db2.gz ISUPDNUAQQQGAR-JTQLQIEISA-N 0 1 339.442 1.787 50 0 EDAAMN Cc1ccc([C@@H](CNc2nc3[nH]ncc3c(=O)[nH]2)N2CCOCC2)o1 ZINC000106463292 204196416 /nfs/dbraw/zinc/19/64/16/204196416.db2.gz LYWSSCBKJILQFO-GFCCVEGCSA-N 0 1 344.375 1.033 50 0 EDAAMN Cc1ccc(-n2nnc(C(=O)N3CCN[C@@H](C)C3)c2C2CC2)cc1 ZINC000155178326 205000706 /nfs/dbraw/zinc/00/07/06/205000706.db2.gz JROFVPBVPFDGNW-ZDUSSCGKSA-N 0 1 325.416 1.887 50 0 EDAAMN Cc1cc(-c2noc(CCC(=O)N3CCN[C@H](C)C3)n2)ccc1F ZINC000155213273 205003369 /nfs/dbraw/zinc/00/33/69/205003369.db2.gz CYIHNKWCRNYQEY-GFCCVEGCSA-N 0 1 332.379 1.937 50 0 EDAAMN CO[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000130012945 205221013 /nfs/dbraw/zinc/22/10/13/205221013.db2.gz XGTJEFLAYIKWIE-UONOGXRCSA-N 0 1 347.440 1.759 50 0 EDAAMN CNCc1nnc(SCC(=O)N2CCOc3ccccc32)n1C ZINC000426690369 257957955 /nfs/dbraw/zinc/95/79/55/257957955.db2.gz YCJURAKCXUVDPZ-UHFFFAOYSA-N 0 1 333.417 1.052 50 0 EDAAMN COc1ccc(F)cc1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1 ZINC000299792105 258097611 /nfs/dbraw/zinc/09/76/11/258097611.db2.gz DVFFMIVOUUJHAD-GXFFZTMASA-N 0 1 334.351 1.643 50 0 EDAAMN COc1ccc(F)cc1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299792105 258097612 /nfs/dbraw/zinc/09/76/12/258097612.db2.gz DVFFMIVOUUJHAD-GXFFZTMASA-N 0 1 334.351 1.643 50 0 EDAAMN COc1ccc(F)cc1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299792105 258097613 /nfs/dbraw/zinc/09/76/13/258097613.db2.gz DVFFMIVOUUJHAD-GXFFZTMASA-N 0 1 334.351 1.643 50 0 EDAAMN COc1ccc(F)cc1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1 ZINC000299792105 258097614 /nfs/dbraw/zinc/09/76/14/258097614.db2.gz DVFFMIVOUUJHAD-GXFFZTMASA-N 0 1 334.351 1.643 50 0 EDAAMN COc1ccc(F)cc1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1 ZINC000299792105 258097615 /nfs/dbraw/zinc/09/76/15/258097615.db2.gz DVFFMIVOUUJHAD-GXFFZTMASA-N 0 1 334.351 1.643 50 0 EDAAMN C[C@@H](CCC(=O)NCc1nc2ccccc2n1C)N1CCOCC1 ZINC000299793834 258098409 /nfs/dbraw/zinc/09/84/09/258098409.db2.gz IIJWMQBKMFPPDX-AWEZNQCLSA-N 0 1 330.432 1.690 50 0 EDAAMN C[C@H]1CN(C(=O)C2CCN(c3ncnc4[nH]cnc43)CC2)C[C@H](C)O1 ZINC000051991843 132182653 /nfs/dbraw/zinc/18/26/53/132182653.db2.gz GTTQLZASBNOHFQ-RYUDHWBXSA-N 0 1 344.419 1.205 50 0 EDAAMN O=C(NC[C@]1(O)CCOC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093351403 287335248 /nfs/dbraw/zinc/33/52/48/287335248.db2.gz FWJLOYVGTKKKFP-CQSZACIVSA-N 0 1 326.303 1.773 50 0 EDAAMN Cc1cc(N2C[C@@H](C)[C@](O)(C3CCC3)C2)nc(N2CCOCC2)n1 ZINC000091550459 280583947 /nfs/dbraw/zinc/58/39/47/280583947.db2.gz JIJGJFDNPSXYQI-ACJLOTCBSA-N 0 1 332.448 1.609 50 0 EDAAMN C[C@H]1N[C@]2(c3cc(F)ccc3NC2=O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022291 300578543 /nfs/dbraw/zinc/57/85/43/300578543.db2.gz FWNYGABLTFFVSY-DOHNZKJLSA-N 0 1 345.374 1.365 50 0 EDAAMN CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000000048998 440795675 /nfs/dbraw/zinc/79/56/75/440795675.db2.gz JKCKXRJJJHZJBR-HNNXBMFYSA-N 0 1 346.383 1.514 50 0 EDAAMN CC1=NC(=O)N[C@@H](c2ccc(O)cc2)C1C(=O)OC[C@H]1CCCO1 ZINC000000069184 440795876 /nfs/dbraw/zinc/79/58/76/440795876.db2.gz MHSWIBJYVBUSRG-HIFRSBDPSA-N 0 1 332.356 1.742 50 0 EDAAMN COc1ccc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)cc1 ZINC000045978835 441067290 /nfs/dbraw/zinc/06/72/90/441067290.db2.gz GJYTXXHVDVWWBH-UHFFFAOYSA-N 0 1 326.360 1.114 50 0 EDAAMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)n1 ZINC000057280256 441104487 /nfs/dbraw/zinc/10/44/87/441104487.db2.gz XCBNKNAMRYCXEB-UHFFFAOYSA-N 0 1 345.424 2.445 50 0 EDAAMN CN1CCN(c2ccc(NC(=O)COc3ccc(F)cc3)cn2)CC1 ZINC000012747048 441141608 /nfs/dbraw/zinc/14/16/08/441141608.db2.gz GJSZWTHBQYVUGS-UHFFFAOYSA-N 0 1 344.390 1.990 50 0 EDAAMN COCc1cc(CN(C)C(=O)[C@H]2CN(C)c3ccccc3O2)n[nH]1 ZINC000097674172 441142704 /nfs/dbraw/zinc/14/27/04/441142704.db2.gz YUILEKDFNCBPKG-MRXNPFEDSA-N 0 1 330.388 1.412 50 0 EDAAMN CC(C)NC(=O)N1CC[N@H+](C2Cc3ccccc3C2)C[C@@H](C(=O)[O-])C1 ZINC000097657081 441142779 /nfs/dbraw/zinc/14/27/79/441142779.db2.gz HAULEHVRPNCSGN-MRXNPFEDSA-N 0 1 345.443 1.590 50 0 EDAAMN COc1cc(C)ccc1OCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000072269041 441213019 /nfs/dbraw/zinc/21/30/19/441213019.db2.gz OQIDJXNBVTVHPY-HOTGVXAUSA-N 0 1 348.443 1.440 50 0 EDAAMN CCOc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000072269481 441213374 /nfs/dbraw/zinc/21/33/74/441213374.db2.gz QTWPPSSBDAZYPJ-ROUUACIJSA-N 0 1 332.444 1.685 50 0 EDAAMN Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000048331977 441294747 /nfs/dbraw/zinc/29/47/47/441294747.db2.gz BCFIIUYURVSOQR-UHFFFAOYSA-N 0 1 337.468 1.459 50 0 EDAAMN Cc1ccc(CNC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000106868155 441381939 /nfs/dbraw/zinc/38/19/39/441381939.db2.gz KOFKRHOFQNPBTA-QWHCGFSZSA-N 0 1 325.478 1.060 50 0 EDAAMN Cc1ccc(CNC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000106868155 441381942 /nfs/dbraw/zinc/38/19/42/441381942.db2.gz KOFKRHOFQNPBTA-QWHCGFSZSA-N 0 1 325.478 1.060 50 0 EDAAMN COC(=O)N[C@H](C(=O)OC[C@H]1CN(CC(C)C)CCO1)C(C)C ZINC000106802256 441373934 /nfs/dbraw/zinc/37/39/34/441373934.db2.gz CALOEOFOUWJGHS-KGLIPLIRSA-N 0 1 330.425 1.267 50 0 EDAAMN CC(C)N1CCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)CC1 ZINC000065171911 441406088 /nfs/dbraw/zinc/40/60/88/441406088.db2.gz PLYKCNRXKRFKNV-AWEZNQCLSA-N 0 1 348.472 1.461 50 0 EDAAMN Cc1ccc(NS(=O)(=O)c2cc3n(c2)CCN(C)C3=O)cc1C ZINC000065254662 441410351 /nfs/dbraw/zinc/41/03/51/441410351.db2.gz GQYDKZLWYICMDU-UHFFFAOYSA-N 0 1 333.413 1.991 50 0 EDAAMN CCc1nc([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000107503852 441418551 /nfs/dbraw/zinc/41/85/51/441418551.db2.gz HTYIGXGPDHIBJN-NXEZZACHSA-N 0 1 336.421 1.224 50 0 EDAAMN CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000028914108 441439919 /nfs/dbraw/zinc/43/99/19/441439919.db2.gz JZFSTJWXUSGRBK-INIZCTEOSA-N 0 1 345.399 1.190 50 0 EDAAMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(N2CCNC2=O)CC1 ZINC000052216686 441441402 /nfs/dbraw/zinc/44/14/02/441441402.db2.gz UWCWUMVDYRIOCO-OAHLLOKOSA-N 0 1 344.459 1.523 50 0 EDAAMN CC(C)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 ZINC000065154625 441404543 /nfs/dbraw/zinc/40/45/43/441404543.db2.gz JFZILSUPYMNSAE-UHFFFAOYSA-N 0 1 340.431 1.842 50 0 EDAAMN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000065164364 441405387 /nfs/dbraw/zinc/40/53/87/441405387.db2.gz AKUPTCRMVSCCMW-UHFFFAOYSA-N 0 1 334.401 1.505 50 0 EDAAMN Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000087137923 441482152 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ZINC000426647078 447484134 /nfs/dbraw/zinc/48/41/34/447484134.db2.gz KQSCPTHPQGBIAA-UHFFFAOYSA-N 0 1 346.391 1.099 50 0 EDAAMN CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000426658295 447487342 /nfs/dbraw/zinc/48/73/42/447487342.db2.gz ICMXFYLTVYUBDH-LLVKDONJSA-N 0 1 333.367 1.464 50 0 EDAAMN COc1ccc2[nH]c(CCNC(=O)N3CCc4nc[nH]c4C3)nc2c1 ZINC000426734277 447496959 /nfs/dbraw/zinc/49/69/59/447496959.db2.gz JLFUVXHCANMYPA-UHFFFAOYSA-N 0 1 340.387 1.605 50 0 EDAAMN O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cccc2nccnc21 ZINC000534637865 448459826 /nfs/dbraw/zinc/45/98/26/448459826.db2.gz ZYTYNRCQBQYEKB-HOTGVXAUSA-N 0 1 326.400 1.613 50 0 EDAAMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)nc1Cl)C(N)=O ZINC000585139916 448708666 /nfs/dbraw/zinc/70/86/66/448708666.db2.gz APFSOSUCPWVEIG-VKHMYHEASA-N 0 1 332.596 1.194 50 0 EDAAMN CN(C)Cc1ccoc1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000521395324 448978996 /nfs/dbraw/zinc/97/89/96/448978996.db2.gz CWYPHUNXLMXUOT-UHFFFAOYSA-N 0 1 333.363 1.640 50 0 EDAAMN CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000083651944 486223339 /nfs/dbraw/zinc/22/33/39/486223339.db2.gz MZAVAVYGPNEHOW-HOTGVXAUSA-N 0 1 326.485 1.079 50 0 EDAAMN O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000084606032 486271456 /nfs/dbraw/zinc/27/14/56/486271456.db2.gz OHWKKURLKRHPSV-SJORKVTESA-N 0 1 346.452 1.981 50 0 EDAAMN O=S(=O)(NCc1n[nH]c2c1CCCCC2)N1CCCCCC1 ZINC000670440823 486518210 /nfs/dbraw/zinc/51/82/10/486518210.db2.gz OJIJUWVVZZQPLW-UHFFFAOYSA-N 0 1 326.466 1.889 50 0 EDAAMN Cc1nc([C@H]2CN(CC(=O)N(C)[C@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000257366185 526536515 /nfs/dbraw/zinc/53/65/15/526536515.db2.gz MJSQAKNZPBLQEW-CZUORRHYSA-N 0 1 343.431 1.706 50 0 EDAAMN O=C([O-])CN1CCCC[C@H]([N@H+]2CC[C@H](Nc3ccccc3)C2)C1=O ZINC000888094442 591023884 /nfs/dbraw/zinc/02/38/84/591023884.db2.gz QBMMRDASVGBBGZ-HOTGVXAUSA-N 0 1 331.416 1.639 50 0 EDAAMN COc1ccc([C@H](O)CN2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000052827882 214148674 /nfs/dbraw/zinc/14/86/74/214148674.db2.gz 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213866094 /nfs/dbraw/zinc/86/60/94/213866094.db2.gz UXHCWVAYFZZEMP-YOEHRIQHSA-N 0 1 332.400 1.007 50 0 EDAAMN CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 ZINC000004093044 210119391 /nfs/dbraw/zinc/11/93/91/210119391.db2.gz FPWGGTZNLQQSQH-UHFFFAOYSA-N 0 1 347.400 1.549 50 0 EDAAMN C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H](C)O1 ZINC000066891458 215091429 /nfs/dbraw/zinc/09/14/29/215091429.db2.gz ILKJPYOAQKOYTK-HUUCEWRRSA-N 0 1 347.463 1.152 50 0 EDAAMN CC(C)(O)c1cn(C[C@@H]2CCCN(c3ncnc4[nH]cnc43)C2)nn1 ZINC000067894220 215241735 /nfs/dbraw/zinc/24/17/35/215241735.db2.gz YLOIKOJDPGEJSP-LLVKDONJSA-N 0 1 342.407 1.088 50 0 EDAAMN C[C@H]1CCCCN1C1CN(C(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067909287 215248531 /nfs/dbraw/zinc/24/85/31/215248531.db2.gz FDYRZTAKUUBYFR-AWEZNQCLSA-N 0 1 348.447 1.206 50 0 EDAAMN C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000040554938 213348871 /nfs/dbraw/zinc/34/88/71/213348871.db2.gz XBJFCRFTZDQALA-GFCCVEGCSA-N 0 1 333.436 1.430 50 0 EDAAMN O=C(c1c[nH]c(=O)c2ccccc12)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000585082183 539956045 /nfs/dbraw/zinc/95/60/45/539956045.db2.gz XHOKNYPLMOZKTD-CYBMUJFWSA-N 0 1 325.328 1.272 50 0 EDAAMN CCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000035508046 213033466 /nfs/dbraw/zinc/03/34/66/213033466.db2.gz VERMCQAUTKIWFX-ZDUSSCGKSA-N 0 1 327.388 1.460 50 0 EDAAMN NC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 ZINC000072128299 216019523 /nfs/dbraw/zinc/01/95/23/216019523.db2.gz BWNTVILDMZCVNG-GOSISDBHSA-N 0 1 337.423 1.494 50 0 EDAAMN O=C(c1ccc(=O)[nH]c1)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072130937 216020412 /nfs/dbraw/zinc/02/04/12/216020412.db2.gz FRCKMIMMQWPVGL-SFHVURJKSA-N 0 1 337.423 1.690 50 0 EDAAMN Cc1cc(C[C@H](C)NC(=O)c2cn(Cc3ccc(F)cc3)nn2)n[nH]1 ZINC000072151846 216039603 /nfs/dbraw/zinc/03/96/03/216039603.db2.gz AIERVAKQGSWUHU-NSHDSACASA-N 0 1 342.378 1.858 50 0 EDAAMN NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3[nH]ncc3Cl)C2)c1 ZINC000072164303 216052639 /nfs/dbraw/zinc/05/26/39/216052639.db2.gz 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O=C([C@@H]1CNCCO1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000238051552 296055518 /nfs/dbraw/zinc/05/55/18/296055518.db2.gz OXKKUSDZKYUYAJ-PBHICJAKSA-N 0 1 343.427 1.118 50 0 EDAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1CCC[C@H]1O ZINC000132483984 223335376 /nfs/dbraw/zinc/33/53/76/223335376.db2.gz HOMHVCSERPUECP-CHWSQXEVSA-N 0 1 333.413 1.105 50 0 EDAAMN O=C(c1nc2ccc(F)cc2[nH]1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000215693901 241139006 /nfs/dbraw/zinc/13/90/06/241139006.db2.gz IIWLMXRBCMTJCY-GFCCVEGCSA-N 0 1 330.363 1.929 50 0 EDAAMN Nc1nc(NCCC(=O)Nc2ccccc2)cc(C2CC(O)C2)n1 ZINC000222783057 241561190 /nfs/dbraw/zinc/56/11/90/241561190.db2.gz OCVBFHHMYVNUCN-UHFFFAOYSA-N 0 1 327.388 1.738 50 0 EDAAMN Cc1csc2nc(CN3CCO[C@H](c4n[nH]c(C)n4)C3)cc(=O)n12 ZINC000076048051 216692806 /nfs/dbraw/zinc/69/28/06/216692806.db2.gz MPAIPBALOISRQR-LBPRGKRZSA-N 0 1 346.416 1.064 50 0 EDAAMN COc1cc2c(cc1NS(=O)(=O)c1ccccc1)n(C)c(=O)n2C ZINC000021042545 212201838 /nfs/dbraw/zinc/20/18/38/212201838.db2.gz 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