smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)COCC[C@@H]1CN(CC2CCC2)Cc2ccnn21 ZINC000306128855 231085222 /nfs/dbraw/zinc/08/52/22/231085222.db2.gz HMQVMHQUQBDTCH-MRXNPFEDSA-N 0 1 320.437 1.535 40 0 DDABMN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2CCO)n1 ZINC000072382628 191142886 /nfs/dbraw/zinc/14/28/86/191142886.db2.gz WXTUMLNKALGSMY-AWEZNQCLSA-N 0 1 314.393 1.838 40 0 DDABMN O=C(c1ccn[nH]1)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000575405046 354701204 /nfs/dbraw/zinc/70/12/04/354701204.db2.gz QWTFGWIWBRFGLP-GFCCVEGCSA-N 0 1 314.345 1.257 40 0 DDABMN CCOC[C@H]1CCn2nccc2CN1C(=O)c1cnc(C)[nH]1 ZINC000585098414 354805585 /nfs/dbraw/zinc/80/55/85/354805585.db2.gz XSBYEIGYVFFVGN-CYBMUJFWSA-N 0 1 303.366 1.366 40 0 DDABMN COCCN1CC[C@]12CCCN(C(=O)c1csc(C)n1)C2 ZINC000585102037 354807325 /nfs/dbraw/zinc/80/73/25/354807325.db2.gz OLHGKXUQDUBSFJ-HNNXBMFYSA-N 0 1 309.435 1.778 40 0 DDABMN CC(=O)N1C[C@@H]2COCCN2C2(CN(CCC(C)(C)C)C2)C1 ZINC000604381063 359744110 /nfs/dbraw/zinc/74/41/10/359744110.db2.gz CWMKTELNVJWGRB-OAHLLOKOSA-N 0 1 309.454 1.040 40 0 biogenic,in-vitro DDABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O ZINC000257322331 203047276 /nfs/dbraw/zinc/04/72/76/203047276.db2.gz WFNBLZLIMKENCA-ZDUSSCGKSA-N 0 1 315.377 1.337 40 0 DDABMN O=C(c1ccc(CN2CCCCC2)o1)N1CCn2cnnc2C1 ZINC000012115729 406836118 /nfs/dbraw/zinc/83/61/18/406836118.db2.gz SVQMSLMQBFHOBP-UHFFFAOYSA-N 0 1 315.377 1.513 40 0 DDABMN Cc1ccc2nc(C(=O)NCCNC(=O)c3ccccn3)[nH]c2c1 ZINC000012147439 406837172 /nfs/dbraw/zinc/83/71/72/406837172.db2.gz XXZDIQGUAHHTPK-UHFFFAOYSA-N 0 1 323.356 1.426 40 0 DDABMN COc1ccc(OC)c(S(=O)(=O)NC2CCN(C)CC2)c1 ZINC000014252204 406874697 /nfs/dbraw/zinc/87/46/97/406874697.db2.gz CPJBMYIRBHLODI-UHFFFAOYSA-N 0 1 314.407 1.076 40 0 DDABMN CCN1CCN([C@@H](C)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000022585923 406890702 /nfs/dbraw/zinc/89/07/02/406890702.db2.gz SFIDVRDSNBCKTJ-AWEZNQCLSA-N 0 1 305.422 1.337 40 0 DDABMN Cn1cc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cn1 ZINC000096056410 407229927 /nfs/dbraw/zinc/22/99/27/407229927.db2.gz FHGGPJVKIBCORM-BRWVUGGUSA-N 0 1 305.422 1.969 40 0 DDABMN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1nccn1C)COC3 ZINC000096112835 407238398 /nfs/dbraw/zinc/23/83/98/407238398.db2.gz QWFOICMXTMWSLO-ZDUSSCGKSA-N 0 1 311.389 1.939 40 0 biogenic,in-vitro DDABMN CC[N@H+]1C[C@@H]2CN(c3cc(OC)ncn3)CCC[C@]2(C(=O)[O-])C1 ZINC000107201457 407370261 /nfs/dbraw/zinc/37/02/61/407370261.db2.gz BTSMRWLPNHDEJE-WBMJQRKESA-N 0 1 320.393 1.108 40 0 DDABMN NS(=O)(=O)c1ccc(CNCc2ccc(F)s2)cc1 ZINC000256053395 407479206 /nfs/dbraw/zinc/47/92/06/407479206.db2.gz RGNUUPGWQWXDEU-UHFFFAOYSA-N 0 1 300.380 1.824 40 0 DDABMN CCOC(=O)[C@H](N)[C@]1(N2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216350471 407494730 /nfs/dbraw/zinc/49/47/30/407494730.db2.gz SWNZLWUXFFBWHH-DFEHZGFQSA-N 0 1 324.465 1.794 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000257240403 407512253 /nfs/dbraw/zinc/51/22/53/407512253.db2.gz HTHJEPHBQJVISH-GFCCVEGCSA-N 0 1 310.361 1.479 40 0 DDABMN CNc1cncc(C[C@@H]2COCCN(Cc3ccccn3)C2)n1 ZINC000257242347 407512305 /nfs/dbraw/zinc/51/23/05/407512305.db2.gz ICBHMNBNPZTLRO-AWEZNQCLSA-N 0 1 313.405 1.604 40 0 DDABMN C[C@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCF)cc1 ZINC000257264976 407526979 /nfs/dbraw/zinc/52/69/79/407526979.db2.gz LWUJTFCRKVEXDZ-QGZVFWFLSA-N 0 1 324.396 1.498 40 0 DDABMN O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CNCCO1 ZINC000257268473 407529035 /nfs/dbraw/zinc/52/90/35/407529035.db2.gz MLVORXRRUMSCHE-GOSISDBHSA-N 0 1 311.385 1.299 40 0 DDABMN CNC(=O)c1cc(N)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000225487214 407590898 /nfs/dbraw/zinc/59/08/98/407590898.db2.gz NPUXNZXRRWHPMA-UHFFFAOYSA-N 0 1 324.428 1.951 40 0 DDABMN CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])CC1 ZINC000225791168 407605467 /nfs/dbraw/zinc/60/54/67/407605467.db2.gz MDHZFQIXQMFLKW-VRKREXBASA-N 0 1 320.433 1.844 40 0 DDABMN COc1ccc([C@H]2CNCCN2C(=O)c2cncs2)cc1 ZINC000257233248 295250368 /nfs/dbraw/zinc/25/03/68/295250368.db2.gz GOKVKPZULYUNCV-CYBMUJFWSA-N 0 1 303.387 1.938 40 0 DDABMN CC(C)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2OCc1cccnc1 ZINC000306127722 529106957 /nfs/dbraw/zinc/10/69/57/529106957.db2.gz GFOKYEMGPMGZIB-BZUAXINKSA-N 0 1 324.446 1.494 40 0 DDABMN Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000072364474 191133294 /nfs/dbraw/zinc/13/32/94/191133294.db2.gz RKMPWRKVQJLSJB-NSHDSACASA-N 0 1 309.395 1.020 40 0 DDABMN Cc1cn[nH]c1[C@]1(C)CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000072388853 191147533 /nfs/dbraw/zinc/14/75/33/191147533.db2.gz UMRHSPDGKXCTPR-CQSZACIVSA-N 0 1 323.422 1.194 40 0 DDABMN Cc1cc(C)cc(-n2nc(C(=O)[O-])c(N3CC[NH+](C)CC3)n2)c1 ZINC000256046109 354388662 /nfs/dbraw/zinc/38/86/62/354388662.db2.gz CSJQOOOEKONOCT-UHFFFAOYSA-N 0 1 315.377 1.334 40 0 DDABMN O=C(c1ccn[nH]1)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000575405047 354701188 /nfs/dbraw/zinc/70/11/88/354701188.db2.gz QWTFGWIWBRFGLP-LBPRGKRZSA-N 0 1 314.345 1.257 40 0 DDABMN COCc1ccc(CN(CC(C)C)[C@@H]2COC[C@@H](O)[C@H]2O)o1 ZINC000585290443 354825116 /nfs/dbraw/zinc/82/51/16/354825116.db2.gz DAJIHONISIDKOI-OAGGEKHMSA-N 0 1 313.394 1.005 40 0 DDABMN CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290808 354825174 /nfs/dbraw/zinc/82/51/74/354825174.db2.gz GOOWLVRBMXIPKG-HONMWMINSA-N 0 1 320.216 1.793 40 0 DDABMN CCC[N@H+]1CCc2c(cnc(N3CCOCC3)c2C(=O)[O-])C1 ZINC000096189221 283353375 /nfs/dbraw/zinc/35/33/75/283353375.db2.gz VXKZHRQTYDJAOK-UHFFFAOYSA-N 0 1 305.378 1.385 40 0 DDABMN CC(C)CCN1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1COCCN12 ZINC000604381112 359744685 /nfs/dbraw/zinc/74/46/85/359744685.db2.gz DIMGMMWZIHYFEJ-MRXNPFEDSA-N 0 1 323.481 1.286 40 0 biogenic,in-vitro DDABMN COC(=O)C(=O)[C@H](CC(=O)Nc1c(C)cccc1C)C(=O)OC ZINC000006491261 181345117 /nfs/dbraw/zinc/34/51/17/181345117.db2.gz VRADPTCPNYGQOF-NSHDSACASA-N 0 1 321.329 1.163 40 0 DDABMN CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)CC)s1 ZINC000223101407 201632982 /nfs/dbraw/zinc/63/29/82/201632982.db2.gz FVTFUJGRUSCIHT-SSDOTTSWSA-N 0 1 306.413 1.354 40 0 DDABMN Cc1nn(C(C)C)cc1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000019583315 182132034 /nfs/dbraw/zinc/13/20/34/182132034.db2.gz OSBOVFUYKOIIGG-LBPRGKRZSA-N 0 1 314.455 1.535 40 0 DDABMN CC(=O)N1CCc2nnc([C@H]3CCCN3C3CCCC3)n2CC1 ZINC000019708306 182137344 /nfs/dbraw/zinc/13/73/44/182137344.db2.gz AVTZDHRABDGYLW-OAHLLOKOSA-N 0 1 317.437 1.762 40 0 DDABMN Cc1c[nH]c([C@@H]2COCCN2C(=O)CN2CCC(C)CC2)n1 ZINC000257230926 291618773 /nfs/dbraw/zinc/61/87/73/291618773.db2.gz GENDWWLRLMGTBE-AWEZNQCLSA-N 0 1 306.410 1.350 40 0 DDABMN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1cccs1)CC2 ZINC000012145345 406837533 /nfs/dbraw/zinc/83/75/33/406837533.db2.gz WBHMMBASIFDESZ-UHFFFAOYSA-N 0 1 316.430 1.990 40 0 DDABMN O=C(c1ccoc1)N1CCO[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228913 407253626 /nfs/dbraw/zinc/25/36/26/407253626.db2.gz QYQKUYOGGNAFJX-KRWDZBQOSA-N 0 1 320.389 1.233 40 0 DDABMN Cc1ccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)o1 ZINC000096057694 407231277 /nfs/dbraw/zinc/23/12/77/407231277.db2.gz QEYOFQLZZCSCTC-NUEKZKHPSA-N 0 1 320.389 1.731 40 0 DDABMN COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccoc3)C[C@H]2C1 ZINC000096066002 407232517 /nfs/dbraw/zinc/23/25/17/407232517.db2.gz ICSFAZXGPQDRGN-OAGGEKHMSA-N 0 1 322.405 1.269 40 0 DDABMN CN(C)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1 ZINC000096143912 407240550 /nfs/dbraw/zinc/24/05/50/407240550.db2.gz SGABDRIUJQELFB-SJLPKXTDSA-N 0 1 300.402 1.985 40 0 DDABMN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccccc2)cn1 ZINC000096184616 407244496 /nfs/dbraw/zinc/24/44/96/407244496.db2.gz MTKSOAJUJFADFE-ZWKOTPCHSA-N 0 1 324.428 1.838 40 0 DDABMN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cn1 ZINC000096184545 407244779 /nfs/dbraw/zinc/24/47/79/407244779.db2.gz OWCHNYWFBXNJIK-CVEARBPZSA-N 0 1 311.389 1.304 40 0 DDABMN Cc1nc2c(ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 ZINC000096517746 407274306 /nfs/dbraw/zinc/27/43/06/407274306.db2.gz WSUOISBCYLMGOV-UHFFFAOYSA-N 0 1 318.381 1.718 40 0 DDABMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000255979541 407479006 /nfs/dbraw/zinc/47/90/06/407479006.db2.gz ISFDXNHYDDELLC-QWHCGFSZSA-N 0 1 321.377 1.806 40 0 DDABMN Cc1cc(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)no1 ZINC000257201125 407491142 /nfs/dbraw/zinc/49/11/42/407491142.db2.gz AGKHLRORYUQADM-CQSZACIVSA-N 0 1 315.377 1.812 40 0 DDABMN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1cnc[nH]1 ZINC000257206218 407492710 /nfs/dbraw/zinc/49/27/10/407492710.db2.gz BCLNNWQOFOYZIB-HNNXBMFYSA-N 0 1 314.393 1.481 40 0 DDABMN c1cncc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)c1 ZINC000253476539 407450898 /nfs/dbraw/zinc/45/08/98/407450898.db2.gz ABBMVBKWJDWCRA-MRXNPFEDSA-N 0 1 318.417 1.978 40 0 DDABMN Cc1nc[nH]c1CN1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 ZINC000257243123 407512811 /nfs/dbraw/zinc/51/28/11/407512811.db2.gz IFOGRPGCWPBWLF-RDJZCZTQSA-N 0 1 316.405 1.826 40 0 DDABMN CS(=O)(=O)N1CCC(N2CCC[C@H]2c2cnccn2)CC1 ZINC000257253063 407520838 /nfs/dbraw/zinc/52/08/38/407520838.db2.gz JXLAINCTWYWBIX-AWEZNQCLSA-N 0 1 310.423 1.038 40 0 DDABMN COc1ccc([C@H](C[C@H](N)C(=O)[O-])[NH+]2CCCC2)cc1OC ZINC000409438161 568413418 /nfs/dbraw/zinc/41/34/18/568413418.db2.gz CGUSQFYPJMFMBT-STQMWFEESA-N 0 1 308.378 1.643 40 0 DDABMN CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(CCC(=O)[O-])n2)C1 ZINC000072367057 191137785 /nfs/dbraw/zinc/13/77/85/191137785.db2.gz BMQWSRDYXKTZLM-ZDUSSCGKSA-N 0 1 319.405 1.366 40 0 DDABMN Cc1cccc(CN2C[C@H](O)[C@@H](CC(=O)N3CCCC3)C2)n1 ZINC000585275376 354819778 /nfs/dbraw/zinc/81/97/78/354819778.db2.gz DGYREZUOUFEYEI-HOCLYGCPSA-N 0 1 303.406 1.195 40 0 DDABMN CCCCc1ncc(CN2CCO[C@](C)(C(=O)N(C)C)C2)[nH]1 ZINC000257270712 203000359 /nfs/dbraw/zinc/00/03/59/203000359.db2.gz MVJGQZOQDGULNP-INIZCTEOSA-N 0 1 308.426 1.431 40 0 DDABMN CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216616 257125367 /nfs/dbraw/zinc/12/53/67/257125367.db2.gz OYZQVCOLQPACDJ-MRXNPFEDSA-N 0 1 302.422 1.907 40 0 DDABMN O=C([O-])C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096224755 407253228 /nfs/dbraw/zinc/25/32/28/407253228.db2.gz VLWPASSJUVZQAF-QGZVFWFLSA-N 0 1 320.364 1.725 40 0 DDABMN COCCN1CCN(C[C@@H]2CCOC2)Cc2ccc(C)nc21 ZINC000096199043 407247500 /nfs/dbraw/zinc/24/75/00/407247500.db2.gz LWVVEEZNHPPXMD-HNNXBMFYSA-N 0 1 305.422 1.695 40 0 DDABMN c1coc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107226374 407371216 /nfs/dbraw/zinc/37/12/16/407371216.db2.gz KCZHCPKWLLGUEJ-CJNGLKHVSA-N 0 1 300.362 1.915 40 0 DDABMN Cc1c(CNCc2cnn(CCF)c2)cnn1CC(F)F ZINC000256051524 407478768 /nfs/dbraw/zinc/47/87/68/407478768.db2.gz JMFXBHNPGXWTMO-UHFFFAOYSA-N 0 1 301.316 1.912 40 0 DDABMN CC(=O)N1CCN(CC2(O)CCOCC2)[C@H](c2ccccc2)C1 ZINC000257206152 407494318 /nfs/dbraw/zinc/49/43/18/407494318.db2.gz BCBUOOLLZNKLGB-KRWDZBQOSA-N 0 1 318.417 1.433 40 0 DDABMN CCOc1ncccc1C(=O)N1CCOC[C@H]1c1[nH]ncc1C ZINC000257226982 407506986 /nfs/dbraw/zinc/50/69/86/407506986.db2.gz FNBPNHYBXPXAKL-ZDUSSCGKSA-N 0 1 316.361 1.726 40 0 DDABMN CN(C)c1cccc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC000257251547 407520602 /nfs/dbraw/zinc/52/06/02/407520602.db2.gz JRFBVJYELMDXGQ-CYBMUJFWSA-N 0 1 301.350 1.084 40 0 DDABMN CCn1nc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2C)cc1C ZINC000257261579 407523754 /nfs/dbraw/zinc/52/37/54/407523754.db2.gz LHYILCIEJDTCMU-CYBMUJFWSA-N 0 1 303.366 1.457 40 0 DDABMN Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cc[nH]n4)C[C@H]23)cn1 ZINC000257264712 407527245 /nfs/dbraw/zinc/52/72/45/407527245.db2.gz LVTHEKRIRNRBBI-VNQPRFMTSA-N 0 1 312.421 1.855 40 0 DDABMN c1ccc(COC[C@@H]2CCOC23CN(C2CCOCC2)C3)nc1 ZINC000247883045 408514241 /nfs/dbraw/zinc/51/42/41/408514241.db2.gz QUZLIOZRBOEPMP-HNNXBMFYSA-N 0 1 318.417 1.868 40 0 DDABMN CCS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000248139153 408538314 /nfs/dbraw/zinc/53/83/14/408538314.db2.gz PUTLHEDNOMOLJZ-HOTGVXAUSA-N 0 1 308.447 1.684 40 0 DDABMN N[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218559537 262486108 /nfs/dbraw/zinc/48/61/08/262486108.db2.gz SPGUCVKARSNSDL-OWCLPIDISA-N 0 1 321.373 1.455 40 0 DDABMN 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/nfs/dbraw/zinc/37/19/93/284371993.db2.gz KDVRQBQNKXMFDO-LBPRGKRZSA-N 0 1 305.378 1.383 40 0 DDABMN CCN1CCN(C[C@@H](O)COc2ccccc2C(C)=O)CC1 ZINC000022467812 182323172 /nfs/dbraw/zinc/32/31/72/182323172.db2.gz CECLJALRPGZIHQ-OAHLLOKOSA-N 0 1 306.406 1.266 40 0 DDABMN N[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000252515274 257106473 /nfs/dbraw/zinc/10/64/73/257106473.db2.gz ICNAIGMPSMZXNG-BZUAXINKSA-N 0 1 321.373 1.455 40 0 DDABMN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(N)CO)cc1 ZINC000218050427 257131675 /nfs/dbraw/zinc/13/16/75/257131675.db2.gz JXBFZNILVDCIJW-ZACQAIPSSA-N 0 1 317.410 1.625 40 0 DDABMN CC(C)(C)C(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O ZINC000003122151 406712103 /nfs/dbraw/zinc/71/21/03/406712103.db2.gz WJFVQYKMDCZICA-NSHDSACASA-N 0 1 316.357 1.758 40 0 DDABMN COc1ccc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000012114864 406836190 /nfs/dbraw/zinc/83/61/90/406836190.db2.gz FZPKNPGLZWCZCD-UHFFFAOYSA-N 0 1 323.356 1.848 40 0 DDABMN CN(C)C(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3cnn(C)c3)C2)C1 ZINC000096241245 407255047 /nfs/dbraw/zinc/25/50/47/407255047.db2.gz PIALDQWYQDQAQP-GOEBONIOSA-N 0 1 323.416 1.338 40 0 DDABMN Cc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)o1 ZINC000096055012 407229088 /nfs/dbraw/zinc/22/90/88/407229088.db2.gz XTVKHFCIKKYRDV-GDBMZVCRSA-N 0 1 314.389 1.716 40 0 DDABMN Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)cs1 ZINC000096064855 407232877 /nfs/dbraw/zinc/23/28/77/407232877.db2.gz RYOVUYGOGOMAGF-GDBMZVCRSA-N 0 1 321.446 1.711 40 0 DDABMN Cc1cccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)C2)n1 ZINC000096071021 407234042 /nfs/dbraw/zinc/23/40/42/407234042.db2.gz BJGNZYVNYHYWIW-HNNXBMFYSA-N 0 1 309.435 1.390 40 0 DDABMN CO[C@@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108615 407237692 /nfs/dbraw/zinc/23/76/92/407237692.db2.gz BCPBEMMBHOHVRX-RRFJBIMHSA-N 0 1 307.394 1.482 40 0 DDABMN O=c1[nH]/c(=C\c2ccccc2)c(=O)[nH]/c1=C/C=C/c1ccccc1 ZINC000104203231 407349011 /nfs/dbraw/zinc/34/90/11/407349011.db2.gz 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/nfs/dbraw/zinc/52/13/55/407521355.db2.gz KHGHTGMSHHWYPC-CYBMUJFWSA-N 0 1 303.366 1.201 40 0 DDABMN Fc1cccnc1OC[C@H]1CCOC12CN(C1CCOCC1)C2 ZINC000247501904 408481151 /nfs/dbraw/zinc/48/11/51/408481151.db2.gz FRUKSLGZZRBVKS-CYBMUJFWSA-N 0 1 322.380 1.869 40 0 DDABMN CC(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000248167613 408540983 /nfs/dbraw/zinc/54/09/83/408540983.db2.gz PEHADDNNCRERMK-FVQBIDKESA-N 0 1 303.406 1.301 40 0 DDABMN C[C@]1(O)CN(Cc2cnc[nH]2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257237764 280171588 /nfs/dbraw/zinc/17/15/88/280171588.db2.gz HIBKEBHRWFHSRU-HOTGVXAUSA-N 0 1 305.353 1.953 40 0 DDABMN O=C1NC(=O)C(=C2c3ccccc3Nc3ccccc32)C(=O)N1 ZINC000223812065 280278782 /nfs/dbraw/zinc/27/87/82/280278782.db2.gz PZGGTBVSDGBBLC-UHFFFAOYSA-N 0 1 305.293 1.912 40 0 DDABMN C[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(C2CC2)n1 ZINC000329047870 534128412 /nfs/dbraw/zinc/12/84/12/534128412.db2.gz UHYYWCSGQDRKRZ-LBPRGKRZSA-N 0 1 313.405 1.040 40 0 DDABMN CCCCCNS(=O)(=O)c1nnc(NC(=O)CC)s1 ZINC000225580584 186279624 /nfs/dbraw/zinc/27/96/24/186279624.db2.gz SHDQQCNZXRBREZ-UHFFFAOYSA-N 0 1 306.413 1.355 40 0 DDABMN C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324818 191123655 /nfs/dbraw/zinc/12/36/55/191123655.db2.gz COHAKBKQYHEPDX-RAIGVLPGSA-N 0 1 324.808 1.708 40 0 DDABMN COC(=O)CSc1nc(-c2ccc(NC(C)=O)cc2)n[nH]1 ZINC000007605154 352124903 /nfs/dbraw/zinc/12/49/03/352124903.db2.gz FOTDPZLQYWLNEF-UHFFFAOYSA-N 0 1 306.347 1.695 40 0 DDABMN CCCN1CCO[C@]2(C1)COCCN(C(=O)C1(F)CCC1)C2 ZINC000585101543 354806486 /nfs/dbraw/zinc/80/64/86/354806486.db2.gz FDADAFNVQLNLSE-HNNXBMFYSA-N 0 1 314.401 1.218 40 0 DDABMN CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCO3)C(=O)C2)n[nH]1 ZINC000585289241 354824804 /nfs/dbraw/zinc/82/48/04/354824804.db2.gz OMJOOSZFNNMNLB-MRXNPFEDSA-N 0 1 305.378 1.572 40 0 DDABMN OC1(CN2CCO[C@@H](CCc3ccncn3)C2)CCCCC1 ZINC000257321372 203044566 /nfs/dbraw/zinc/04/45/66/203044566.db2.gz WBJVGYJGQGSFFO-INIZCTEOSA-N 0 1 305.422 1.805 40 0 DDABMN Cc1cc(=O)c2cccc(C(F)(F)F)c2n1Cc1nn[nH]n1 ZINC000040175743 183044143 /nfs/dbraw/zinc/04/41/43/183044143.db2.gz AUVNZENBSHFNBH-UHFFFAOYSA-N 0 1 309.251 1.890 40 0 DDABMN COc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000242648557 257119977 /nfs/dbraw/zinc/11/99/77/257119977.db2.gz QZTGSBKLXUUZFV-PMPSAXMXSA-N 0 1 303.383 1.962 40 0 DDABMN C[C@@H](CO)Nc1nc(NCc2cccs2)cc(C2CC2)n1 ZINC000328961089 257231106 /nfs/dbraw/zinc/23/11/06/257231106.db2.gz BBLWMABJMSQLKE-JTQLQIEISA-N 0 1 304.419 1.664 40 0 DDABMN CCOC(=O)c1n[nH]cc1CN(C)Cc1n[nH]c2c1CCCC2 ZINC000012147159 406836870 /nfs/dbraw/zinc/83/68/70/406836870.db2.gz LGGZPVQOJDDLAD-UHFFFAOYSA-N 0 1 317.393 1.820 40 0 DDABMN O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(CCO)C2 ZINC000096225226 407252754 /nfs/dbraw/zinc/25/27/54/407252754.db2.gz OPYZXVGJRGIYST-MRXNPFEDSA-N 0 1 303.362 1.228 40 0 DDABMN O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCC1 ZINC000096220285 407252984 /nfs/dbraw/zinc/25/29/84/407252984.db2.gz DQAUUQFUGVSBTD-USXIJHARSA-N 0 1 315.417 1.683 40 0 DDABMN Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)no1 ZINC000096038714 407224515 /nfs/dbraw/zinc/22/45/15/407224515.db2.gz IOWONOZJNFGLMS-NVXWUHKLSA-N 0 1 319.405 1.586 40 0 DDABMN CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc(OC)cc3)C[C@H]2O1 ZINC000096058221 407230745 /nfs/dbraw/zinc/23/07/45/407230745.db2.gz ZIBBBWMNSZATAA-NUEKZKHPSA-N 0 1 304.390 1.421 40 0 DDABMN Cc1cc(CN2C[C@@H]3COC[C@@H](Cc4nnc(C)o4)[C@@H]3C2)no1 ZINC000096065292 407232544 /nfs/dbraw/zinc/23/25/44/407232544.db2.gz ZCQZUOPDYCHAMA-NFAWXSAZSA-N 0 1 318.377 1.612 40 0 DDABMN Cc1cccc(CN2CCc3nnc(Cn4cccc4)n3CC2)n1 ZINC000096084976 407236351 /nfs/dbraw/zinc/23/63/51/407236351.db2.gz IAAXMYVXZDTLOE-UHFFFAOYSA-N 0 1 322.416 1.890 40 0 DDABMN O=C(CC1CC1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC000096108161 407237298 /nfs/dbraw/zinc/23/72/98/407237298.db2.gz MEALBVOSSYXKDP-GOEBONIOSA-N 0 1 304.390 1.739 40 0 DDABMN Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccco2)CC3)cn1 ZINC000096199756 407247959 /nfs/dbraw/zinc/24/79/59/407247959.db2.gz DLSOXICYNAGFLP-OAHLLOKOSA-N 0 1 314.389 1.651 40 0 DDABMN CCOC(=O)C(O)=C1C(=O)N(C)C(=O)[C@H]1c1cccc(OC)c1 ZINC000102981964 407329610 /nfs/dbraw/zinc/32/96/10/407329610.db2.gz LWTSZQCUUWCQDE-UMAGAQSHSA-N 0 1 319.313 1.153 40 0 DDABMN c1ccc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1 ZINC000253477892 407451122 /nfs/dbraw/zinc/45/11/22/407451122.db2.gz IAWAWKVPHZCOGN-INIZCTEOSA-N 0 1 318.417 1.978 40 0 DDABMN CCc1noc(CCC(=O)N2CCNC[C@@H]2c2ccccc2)n1 ZINC000257264166 407527025 /nfs/dbraw/zinc/52/70/25/407527025.db2.gz LTEJESMWKYLYBT-CQSZACIVSA-N 0 1 314.389 1.738 40 0 DDABMN CN1CC[C@@H](COCC2CC2)CC12CN(c1ncc(F)cn1)C2 ZINC000248143366 277135218 /nfs/dbraw/zinc/13/52/18/277135218.db2.gz QZZGLYSFGLRPAE-CQSZACIVSA-N 0 1 320.412 1.943 40 0 DDABMN COc1ccc([C@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1 ZINC000257203473 295250480 /nfs/dbraw/zinc/25/04/80/295250480.db2.gz AQFKXFMWRKFWEP-MRXNPFEDSA-N 0 1 314.389 1.524 40 0 DDABMN CC(=O)N1CCN(Cc2ccc(C)o2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000097952736 332203283 /nfs/dbraw/zinc/20/32/83/332203283.db2.gz VDFBJJIWVXEFIQ-QGZVFWFLSA-N 0 1 319.405 1.101 40 0 DDABMN O=C(CN1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1CCCC1 ZINC000072334586 191125972 /nfs/dbraw/zinc/12/59/72/191125972.db2.gz SGEQEVLIQNQQPZ-VMZNBEPHSA-N 0 1 304.390 1.716 40 0 DDABMN CC(=O)N1CCC[C@H](c2nc(CN(C)C)cc(N(C)C)n2)C1 ZINC000072352020 191128661 /nfs/dbraw/zinc/12/86/61/191128661.db2.gz RBXMYXJHCGFBJD-ZDUSSCGKSA-N 0 1 305.426 1.330 40 0 DDABMN Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(CCO)C2)n1 ZINC000072359958 191130231 /nfs/dbraw/zinc/13/02/31/191130231.db2.gz PQFVCRXTXFOAJQ-ZDUSSCGKSA-N 0 1 314.393 1.490 40 0 DDABMN Cc1ccccc1C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC000585280083 354823249 /nfs/dbraw/zinc/82/32/49/354823249.db2.gz YAOOSHGVGQYRGU-NVXWUHKLSA-N 0 1 313.401 1.713 40 0 DDABMN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3nccnc3c2)[C@@H]1OC ZINC000585291691 354826424 /nfs/dbraw/zinc/82/64/24/354826424.db2.gz RRLNOURRXGEMRE-ZACQAIPSSA-N 0 1 317.389 1.490 40 0 DDABMN CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 ZINC000257301945 203024557 /nfs/dbraw/zinc/02/45/57/203024557.db2.gz SASCJQYDFDYMRR-AWEZNQCLSA-N 0 1 314.393 1.249 40 0 DDABMN c1coc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096219336 407252205 /nfs/dbraw/zinc/25/22/05/407252205.db2.gz KCZHCPKWLLGUEJ-XJKSGUPXSA-N 0 1 300.362 1.915 40 0 DDABMN CN(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1 ZINC000096223356 407252923 /nfs/dbraw/zinc/25/29/23/407252923.db2.gz ONKVVPYWBAMIQD-SWLSCSKDSA-N 0 1 324.450 1.267 40 0 DDABMN CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccn1C)C2 ZINC000096061783 407231394 /nfs/dbraw/zinc/23/13/94/407231394.db2.gz XBFLQMYYTLXRSY-UHFFFAOYSA-N 0 1 315.421 1.718 40 0 DDABMN Cc1cc(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)no1 ZINC000096108159 407238030 /nfs/dbraw/zinc/23/80/30/407238030.db2.gz MFCHANIWYBCVRN-WMLDXEAASA-N 0 1 317.389 1.909 40 0 DDABMN O=C1CO[C@H]2CN(Cc3ccccc3)C[C@H]2N1Cc1cccnc1 ZINC000067897126 407289619 /nfs/dbraw/zinc/28/96/19/407289619.db2.gz FWACSQVSPOAPRM-MSOLQXFVSA-N 0 1 323.396 1.693 40 0 biogenic,in-vitro DDABMN CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000257239596 407514396 /nfs/dbraw/zinc/51/43/96/407514396.db2.gz HQBGZHRZHSYJPE-NSHDSACASA-N 0 1 300.366 1.336 40 0 DDABMN CN(C)c1ncc(C(=O)N2CCNC[C@H]2c2ccccc2)cn1 ZINC000257265476 407526560 /nfs/dbraw/zinc/52/65/60/407526560.db2.gz LYUPYJHQRCLWMP-HNNXBMFYSA-N 0 1 311.389 1.329 40 0 DDABMN CN(C)c1oc(/C=C2/NC(=O)NC2=O)cc1Br ZINC000408843631 276817395 /nfs/dbraw/zinc/81/73/95/276817395.db2.gz AIZSZFXBICZJGG-QPJJXVBHSA-N 0 1 300.112 1.288 40 0 DDABMN COc1ccc([C@H](C[C@@H](N)C(=O)[O-])[NH+]2CCCC2)cc1OC ZINC000409438156 568413400 /nfs/dbraw/zinc/41/34/00/568413400.db2.gz CGUSQFYPJMFMBT-OLZOCXBDSA-N 0 1 308.378 1.643 40 0 DDABMN C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324771 191122648 /nfs/dbraw/zinc/12/26/48/191122648.db2.gz COHAKBKQYHEPDX-CYZMBNFOSA-N 0 1 324.808 1.708 40 0 DDABMN O=C(CN1CC[C@H](Cc2ccccc2)[C@H](O)C1)NC1CCC1 ZINC000585279879 354822141 /nfs/dbraw/zinc/82/21/41/354822141.db2.gz RYXXANQGRZPONR-NVXWUHKLSA-N 0 1 302.418 1.581 40 0 DDABMN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3nc[nH]c32)cc1OC ZINC000005067102 181200088 /nfs/dbraw/zinc/20/00/88/181200088.db2.gz HYRCYYCLHCGDCJ-GXFFZTMASA-N 0 1 303.318 1.115 40 0 DDABMN NC(=O)CN1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257289660 283289393 /nfs/dbraw/zinc/28/93/93/283289393.db2.gz PZRCHYPEDDEUCI-OWCLPIDISA-N 0 1 315.417 1.216 40 0 DDABMN CN(CCC(=O)N1CC[C@@H](c2cc[nH]n2)C1)Cc1ccccn1 ZINC000257282752 203009580 /nfs/dbraw/zinc/00/95/80/203009580.db2.gz OVDKZOVJKGRDHK-CQSZACIVSA-N 0 1 313.405 1.643 40 0 DDABMN COc1ccc([C@@H]2CNCCN2C(=O)C2CCOCC2)cc1 ZINC000257312184 203037141 /nfs/dbraw/zinc/03/71/41/203037141.db2.gz UMUCBWNZCLRZQH-INIZCTEOSA-N 0 1 304.390 1.595 40 0 DDABMN CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C)N1CC[NH+](C)C ZINC000016756362 182060207 /nfs/dbraw/zinc/06/02/07/182060207.db2.gz PXGGGBGSKQWPCW-UHFFFAOYSA-N 0 1 320.418 1.339 40 0 DDABMN CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCCN(Cc1cccnc1)C2 ZINC000096224830 407252695 /nfs/dbraw/zinc/25/26/95/407252695.db2.gz VOEISBSNJWYAIQ-DOTOQJQBSA-N 0 1 303.406 1.541 40 0 DDABMN c1nnc(N2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)s1 ZINC000096226637 407253930 /nfs/dbraw/zinc/25/39/30/407253930.db2.gz LFHZHAGLJGXDTL-OAHLLOKOSA-N 0 1 324.450 1.388 40 0 DDABMN CC(C)N(C)Cc1[nH]nc2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096255853 407257324 /nfs/dbraw/zinc/25/73/24/407257324.db2.gz KATXEZPRZIGJFE-UHFFFAOYSA-N 0 1 301.394 1.777 40 0 DDABMN c1cc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)co1 ZINC000096047567 407227211 /nfs/dbraw/zinc/22/72/11/407227211.db2.gz PCYJXNLEZDMUNJ-GOEBONIOSA-N 0 1 300.362 1.915 40 0 DDABMN c1coc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC000096055007 407229437 /nfs/dbraw/zinc/22/94/37/407229437.db2.gz SVRFHZLKGGAPMV-UKRRQHHQSA-N 0 1 300.362 1.407 40 0 DDABMN Cn1cc(CN2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)cn1 ZINC000096057604 407230340 /nfs/dbraw/zinc/23/03/40/407230340.db2.gz SXHBIEMBTQEJMR-ARFHVFGLSA-N 0 1 318.421 1.022 40 0 DDABMN O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCC1 ZINC000096057600 407230950 /nfs/dbraw/zinc/23/09/50/407230950.db2.gz LBSGFWNRDPMAPU-NUEKZKHPSA-N 0 1 304.390 1.881 40 0 DDABMN O=C(c1cnc[nH]1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096072526 407234390 /nfs/dbraw/zinc/23/43/90/407234390.db2.gz ICOFTGFCNVDNCM-CJNGLKHVSA-N 0 1 314.345 1.257 40 0 DDABMN Cn1ccc(CN2CCCC23CCN(C(=O)C2CC2)CC3)n1 ZINC000096075323 407235266 /nfs/dbraw/zinc/23/52/66/407235266.db2.gz ACYVNMBYCYUZMB-UHFFFAOYSA-N 0 1 302.422 1.787 40 0 DDABMN c1cc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)co1 ZINC000107728294 407378944 /nfs/dbraw/zinc/37/89/44/407378944.db2.gz PCYJXNLEZDMUNJ-ZBFHGGJFSA-N 0 1 300.362 1.915 40 0 DDABMN c1csc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC000107746706 407379149 /nfs/dbraw/zinc/37/91/49/407379149.db2.gz JYUCUCVENFJMST-KBPBESRZSA-N 0 1 316.430 1.876 40 0 DDABMN Cc1ncsc1CN1C[C@H](C(=O)NC2CCC2)[C@H]2OCC[C@H]21 ZINC000108528133 407387627 /nfs/dbraw/zinc/38/76/27/407387627.db2.gz AXJMUGLPLDSWHS-GZBFAFLISA-N 0 1 321.446 1.710 40 0 DDABMN Nc1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ccn1 ZINC000257228394 407506516 /nfs/dbraw/zinc/50/65/16/407506516.db2.gz FTQGHVNOEVITSI-LBPRGKRZSA-N 0 1 318.402 1.594 40 0 DDABMN CC[N@@H+](CC(=O)[O-])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391540 185168101 /nfs/dbraw/zinc/16/81/01/185168101.db2.gz KDKKDPKEGFNDQP-AWEZNQCLSA-N 0 1 306.362 1.804 40 0 DDABMN CC(C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225644312 186285995 /nfs/dbraw/zinc/28/59/95/186285995.db2.gz BTDYYVJZRSBUTD-UHFFFAOYSA-N 0 1 306.413 1.209 40 0 DDABMN CN1CCN2[C@@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C ZINC000253401217 186306930 /nfs/dbraw/zinc/30/69/30/186306930.db2.gz MPZJFPBONPHAMO-ZDUSSCGKSA-N 0 1 305.397 1.676 40 0 biogenic,in-vitro DDABMN O=C([O-])C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000037594587 352297140 /nfs/dbraw/zinc/29/71/40/352297140.db2.gz LNNYDAKSMKIACB-LBPRGKRZSA-N 0 1 317.794 1.414 40 0 DDABMN O=C([O-])C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000037594587 352297143 /nfs/dbraw/zinc/29/71/43/352297143.db2.gz LNNYDAKSMKIACB-LBPRGKRZSA-N 0 1 317.794 1.414 40 0 DDABMN Cc1ccc(-n2nc(C(=O)[O-])c(N3CC[NH+](C)CC3)n2)cc1 ZINC000256046336 354388692 /nfs/dbraw/zinc/38/86/92/354388692.db2.gz FIOPFVVZPQZUMV-UHFFFAOYSA-N 0 1 301.350 1.026 40 0 DDABMN CNC(=O)C[C@]1(COC)CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000585278008 354821672 /nfs/dbraw/zinc/82/16/72/354821672.db2.gz OQHQAXQMUFOXQN-KRWDZBQOSA-N 0 1 320.389 1.502 40 0 DDABMN Cc1cc(C)nc(N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 ZINC000257228136 202961060 /nfs/dbraw/zinc/96/10/60/202961060.db2.gz FSLWSEHUSIFPAA-HNNXBMFYSA-N 0 1 313.405 1.909 40 0 DDABMN COc1ccc([C@H]2CNCCN2C(=O)Cc2cccnc2)cc1 ZINC000257331739 203055324 /nfs/dbraw/zinc/05/53/24/203055324.db2.gz XUAXMHQYQBWTME-QGZVFWFLSA-N 0 1 311.385 1.806 40 0 DDABMN O=S1(=O)N[C@@H]2CN(CC3CCCC3)C[C@@H]2Oc2ccccc21 ZINC000514288748 257216435 /nfs/dbraw/zinc/21/64/35/257216435.db2.gz BGRVCEWSLIKSPL-HIFRSBDPSA-N 0 1 322.430 1.600 40 0 biogenic,in-vitro DDABMN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C ZINC000012219860 406839271 /nfs/dbraw/zinc/83/92/71/406839271.db2.gz VOZKHMKOJIGIKZ-MPYYAJLASA-N 0 1 320.437 1.149 40 0 DDABMN Cc1noc(C[C@@H]2C[C@H]3CN(Cc4c(C)noc4C)C[C@H]3O2)n1 ZINC000096220715 407253180 /nfs/dbraw/zinc/25/31/80/407253180.db2.gz GXSKTFYIGMOGFZ-KCQAQPDRSA-N 0 1 318.377 1.815 40 0 DDABMN Cc1ccc(CN2CC[C@@H]3[C@H](CCN3S(=O)(=O)C3CC3)C2)o1 ZINC000096249197 407256230 /nfs/dbraw/zinc/25/62/30/407256230.db2.gz SUPTUHUBNGYOFG-CZUORRHYSA-N 0 1 324.446 1.976 40 0 DDABMN CN(C)C(=O)CN1CCC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096071577 407233819 /nfs/dbraw/zinc/23/38/19/407233819.db2.gz VDZBTPITBAFCCW-QGZVFWFLSA-N 0 1 302.422 1.462 40 0 DDABMN CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccco1)C2 ZINC000096087562 407236086 /nfs/dbraw/zinc/23/60/86/407236086.db2.gz OGHSLAKSGUGAEJ-UHFFFAOYSA-N 0 1 302.378 1.972 40 0 DDABMN C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3)CCC[C@]2(C(=O)[O-])C1 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ADLLYIQLDRBQKN-KBPBESRZSA-N 0 1 314.393 1.072 40 0 DDABMN c1cnn(Cc2cnc3n2CCN(Cc2ccccn2)CC3)c1 ZINC000096196941 407247514 /nfs/dbraw/zinc/24/75/14/407247514.db2.gz DMCSCCBGXJJOJR-UHFFFAOYSA-N 0 1 308.389 1.581 40 0 DDABMN O=C(c1ccnnc1)N1CCC2(CC(N3CCOCC3)C2)CC1 ZINC000107193787 407370712 /nfs/dbraw/zinc/37/07/12/407370712.db2.gz QJWVBGNIIRZJLG-UHFFFAOYSA-N 0 1 316.405 1.194 40 0 DDABMN CCCCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224954246 407577424 /nfs/dbraw/zinc/57/74/24/407577424.db2.gz NOGPLIJCAUUELE-UHFFFAOYSA-N 0 1 320.440 1.601 40 0 DDABMN COc1cccc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c1F ZINC000257247849 407517732 /nfs/dbraw/zinc/51/77/32/407517732.db2.gz JAVMXMBTTWKJED-KBPBESRZSA-N 0 1 310.369 1.296 40 0 DDABMN O=C(c1ccco1)N1CC2(C1)CC[C@H](CN1CCOCC1)CO2 ZINC000247801382 408510390 /nfs/dbraw/zinc/51/03/90/408510390.db2.gz FYNXXPUTTVWDCJ-CQSZACIVSA-N 0 1 320.389 1.233 40 0 DDABMN CN(C)c1ncc(CN2CCC3(CCCNC3=O)CC2)cn1 ZINC000072393693 191149156 /nfs/dbraw/zinc/14/91/56/191149156.db2.gz BSDQRKMFKNLDAY-UHFFFAOYSA-N 0 1 303.410 1.035 40 0 DDABMN Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000072385986 191145735 /nfs/dbraw/zinc/14/57/35/191145735.db2.gz GNKMWENLZDNDMN-LBPRGKRZSA-N 0 1 323.422 1.328 40 0 DDABMN c1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 ZINC000096047724 353913967 /nfs/dbraw/zinc/91/39/67/353913967.db2.gz BBUFIYUDWGHPGR-RDJZCZTQSA-N 0 1 311.389 1.717 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 ZINC000585182022 354817752 /nfs/dbraw/zinc/81/77/52/354817752.db2.gz FDQFPBGHTDRALT-GFCCVEGCSA-N 0 1 302.382 1.451 40 0 DDABMN Cc1ccc(OC[C@@]2(O)CCN(CC(=O)N3CCCC3)C2)cc1 ZINC000585269515 354818600 /nfs/dbraw/zinc/81/86/00/354818600.db2.gz XWKQZLWBQMVCOG-GOSISDBHSA-N 0 1 318.417 1.433 40 0 DDABMN Cc1nc[nH]c1CN1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274270 354818731 /nfs/dbraw/zinc/81/87/31/354818731.db2.gz IAPBBLQLZBQCCB-MRXNPFEDSA-N 0 1 305.353 1.873 40 0 DDABMN CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224374222 201674195 /nfs/dbraw/zinc/67/41/95/201674195.db2.gz ZCXIERMCHUSXNF-UHFFFAOYSA-N 0 1 320.440 1.600 40 0 DDABMN CN1CCN(CN2C(=O)S/C(=C/c3cccs3)C2=O)CC1 ZINC000020265976 182201294 /nfs/dbraw/zinc/20/12/94/182201294.db2.gz IEXMOBBMOAJFDW-FMIVXFBMSA-N 0 1 323.443 1.989 40 0 DDABMN COCCNC(=S)NC1CCN(Cc2ccccn2)CC1 ZINC000044222054 183398604 /nfs/dbraw/zinc/39/86/04/183398604.db2.gz IVHOWIWGOSTXKR-UHFFFAOYSA-N 0 1 308.451 1.157 40 0 DDABMN N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218161820 257131408 /nfs/dbraw/zinc/13/14/08/257131408.db2.gz QDGHABKKIPLKIS-XHSDSOJGSA-N 0 1 317.366 1.682 40 0 DDABMN O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCC1 ZINC000096216931 407251854 /nfs/dbraw/zinc/25/18/54/407251854.db2.gz WYHBADZWXMPIQW-CWRNSKLLSA-N 0 1 301.390 1.293 40 0 DDABMN O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCC1 ZINC000096217463 407252326 /nfs/dbraw/zinc/25/23/26/407252326.db2.gz DQAUUQFUGVSBTD-BHYGNILZSA-N 0 1 315.417 1.683 40 0 DDABMN Cn1c(=O)c(C2=CC(=O)NC(=S)NN2)c(O)c2ccccc21 ZINC000055113334 407195673 /nfs/dbraw/zinc/19/56/73/407195673.db2.gz LNZNHLLGQBTPIS-UHFFFAOYSA-N 0 1 316.342 1.237 40 0 DDABMN Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4n[nH]c(C)n4)O[C@@H]3C2)c(C)o1 ZINC000096045878 407227317 /nfs/dbraw/zinc/22/73/17/407227317.db2.gz DYNVFYQZNMOXRG-FPMFFAJLSA-N 0 1 316.361 1.925 40 0 DDABMN c1csc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC000096055008 407229951 /nfs/dbraw/zinc/22/99/51/407229951.db2.gz JYUCUCVENFJMST-ZIAGYGMSSA-N 0 1 316.430 1.876 40 0 DDABMN CC(C)N(C)Cc1nnc2n1CCN(Cc1ccco1)CC2 ZINC000096058945 407232179 /nfs/dbraw/zinc/23/21/79/407232179.db2.gz UJGCBHKREYFMBN-UHFFFAOYSA-N 0 1 303.410 1.770 40 0 DDABMN CCOC(=O)C(O)=C1C(=O)N(C)C(=O)[C@@H]1c1cccc(OC)c1 ZINC000102981968 407329659 /nfs/dbraw/zinc/32/96/59/407329659.db2.gz LWTSZQCUUWCQDE-GXZRWPEMSA-N 0 1 319.313 1.153 40 0 DDABMN COCC(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000097953461 407303791 /nfs/dbraw/zinc/30/37/91/407303791.db2.gz KZDDNMPZDIVFPW-BJJXKVORSA-N 0 1 324.446 1.490 40 0 DDABMN Cc1ncc(CNC(=O)c2cscn2)c([C@@H]2CCCN2C)n1 ZINC000257213512 407498104 /nfs/dbraw/zinc/49/81/04/407498104.db2.gz CHWACLBYJLXEMW-ZDUSSCGKSA-N 0 1 317.418 1.938 40 0 DDABMN Cc1ccnc([C@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)n1 ZINC000257251060 407520154 /nfs/dbraw/zinc/52/01/54/407520154.db2.gz JPFPAIQSWFBMKK-CQSZACIVSA-N 0 1 323.356 1.875 40 0 DDABMN O=C([O-])CCC[N@@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422268 422298537 /nfs/dbraw/zinc/29/85/37/422298537.db2.gz UJRKWBLATIQBPM-CQSZACIVSA-N 0 1 311.403 1.541 40 0 DDABMN C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cscn2)C1 ZINC000072388814 278129625 /nfs/dbraw/zinc/12/96/25/278129625.db2.gz GETQLOPEQRUTGO-CQSZACIVSA-N 0 1 319.390 1.159 40 0 DDABMN COc1ccc([C@@H](C[C@@H](N)C(=O)[O-])[NH+]2CCCC2)cc1OC ZINC000409438151 568413287 /nfs/dbraw/zinc/41/32/87/568413287.db2.gz CGUSQFYPJMFMBT-CHWSQXEVSA-N 0 1 308.378 1.643 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000072385985 191144931 /nfs/dbraw/zinc/14/49/31/191144931.db2.gz GNKMWENLZDNDMN-GFCCVEGCSA-N 0 1 323.422 1.328 40 0 DDABMN CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000585278918 354822008 /nfs/dbraw/zinc/82/20/08/354822008.db2.gz WVSIABYNBCYKAH-QGZVFWFLSA-N 0 1 320.389 1.502 40 0 DDABMN CCCCNC(=O)OCCN(C)CCOC(=O)NCCCC ZINC000005513839 181251921 /nfs/dbraw/zinc/25/19/21/181251921.db2.gz DRFMYYOZZMIFDE-UHFFFAOYSA-N 0 1 317.430 1.971 40 0 DDABMN C[C@]1(C(=O)NC2CCCC2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019746707 182142127 /nfs/dbraw/zinc/14/21/27/182142127.db2.gz CILFGPRAVZILPS-INIZCTEOSA-N 0 1 304.394 1.711 40 0 DDABMN Cc1ccccc1-n1[nH]c(CSc2nnnn2C)cc1=O ZINC000010157392 406819632 /nfs/dbraw/zinc/81/96/32/406819632.db2.gz ROFGGYZYIAXUBH-UHFFFAOYSA-N 0 1 302.363 1.702 40 0 DDABMN Cc1ncsc1CN1C[C@H]2OC[C@H](C(=O)NCC3CC3)[C@H]2C1 ZINC000096216820 407252139 /nfs/dbraw/zinc/25/21/39/407252139.db2.gz YHLIULSRPJTSAU-HZSPNIEDSA-N 0 1 321.446 1.425 40 0 DDABMN Cn1cc(CN2CCC3(CCC(=O)N3CC3CC3)CC2)cn1 ZINC000096228114 407254098 /nfs/dbraw/zinc/25/40/98/407254098.db2.gz CLUKAOWNWLVBJZ-UHFFFAOYSA-N 0 1 302.422 1.787 40 0 DDABMN O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@H]21)NC1CC1 ZINC000096057278 407230429 /nfs/dbraw/zinc/23/04/29/407230429.db2.gz JMUWATKFTLBWSK-BZPMIXESSA-N 0 1 321.446 1.506 40 0 DDABMN Cc1cc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)no1 ZINC000096197233 407247649 /nfs/dbraw/zinc/24/76/49/407247649.db2.gz ZUQSMIWLQQTMAR-UHFFFAOYSA-N 0 1 315.377 1.431 40 0 DDABMN Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccoc2)CC3)cn1 ZINC000096199758 407247867 /nfs/dbraw/zinc/24/78/67/407247867.db2.gz PPQVFWNKZSYZRB-OAHLLOKOSA-N 0 1 314.389 1.651 40 0 DDABMN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)s1 ZINC000107251658 407371669 /nfs/dbraw/zinc/37/16/69/407371669.db2.gz XIQGPTANKSBQCQ-UONOGXRCSA-N 0 1 321.446 1.320 40 0 DDABMN COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)ncn1 ZINC000107768209 407379532 /nfs/dbraw/zinc/37/95/32/407379532.db2.gz ADLLYIQLDRBQKN-KGLIPLIRSA-N 0 1 314.393 1.072 40 0 DDABMN Cc1cn[nH]c1[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000257222530 407504877 /nfs/dbraw/zinc/50/48/77/407504877.db2.gz DTQJPZMBDNIYOD-AWEZNQCLSA-N 0 1 318.421 1.827 40 0 DDABMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257239818 407514308 /nfs/dbraw/zinc/51/43/08/407514308.db2.gz HQXTUGCVKNGWDF-LLVKDONJSA-N 0 1 324.344 1.473 40 0 DDABMN CN(C)c1cccc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257254132 407520689 /nfs/dbraw/zinc/52/06/89/407520689.db2.gz KBTAFWTUBQBKPJ-OAHLLOKOSA-N 0 1 318.421 1.143 40 0 DDABMN N[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218569034 407520756 /nfs/dbraw/zinc/52/07/56/407520756.db2.gz ICNAIGMPSMZXNG-JYJNAYRXSA-N 0 1 321.373 1.455 40 0 DDABMN COCCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1 ZINC000257259803 407524023 /nfs/dbraw/zinc/52/40/23/407524023.db2.gz LACDEOFYPXOZGV-UHFFFAOYSA-N 0 1 316.405 1.700 40 0 DDABMN O=C([O-])C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079413617 185170280 /nfs/dbraw/zinc/17/02/80/185170280.db2.gz GMCJAJRDQGANJE-AWEZNQCLSA-N 0 1 306.362 1.709 40 0 DDABMN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2CCO)n1 ZINC000072382632 191143026 /nfs/dbraw/zinc/14/30/26/191143026.db2.gz SHOQJXMVRGJASF-AWEZNQCLSA-N 0 1 314.393 1.838 40 0 DDABMN c1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 ZINC000096047725 353914395 /nfs/dbraw/zinc/91/43/95/353914395.db2.gz BBUFIYUDWGHPGR-DOTOQJQBSA-N 0 1 311.389 1.717 40 0 DDABMN CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2c[nH]nc2C)C1 ZINC000585276066 354820266 /nfs/dbraw/zinc/82/02/66/354820266.db2.gz LPZBNZBZGBSZCJ-INIZCTEOSA-N 0 1 308.426 1.568 40 0 DDABMN CCCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)NC)C2)cn1 ZINC000585276670 354820788 /nfs/dbraw/zinc/82/07/88/354820788.db2.gz OUFODUAJIXGPSS-HUUCEWRRSA-N 0 1 320.437 1.402 40 0 DDABMN Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)CN(C)C)C[C@H]3O2)n1 ZINC000096046171 193498768 /nfs/dbraw/zinc/49/87/68/193498768.db2.gz WVDAMFGGTUCHDM-NWANDNLSSA-N 0 1 304.394 1.025 40 0 DDABMN O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](C2CCOCC2)C1 ZINC000015674512 182011735 /nfs/dbraw/zinc/01/17/35/182011735.db2.gz LJVCLBOJFIMOGE-KGLIPLIRSA-N 0 1 316.361 1.418 40 0 biogenic,in-vitro DDABMN O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(C2CCOCC2)C1 ZINC000015674512 182011737 /nfs/dbraw/zinc/01/17/37/182011737.db2.gz LJVCLBOJFIMOGE-KGLIPLIRSA-N 0 1 316.361 1.418 40 0 biogenic,in-vitro DDABMN CCCCC(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O ZINC000105629241 194116153 /nfs/dbraw/zinc/11/61/53/194116153.db2.gz JFJSLKKQWHMBTA-ZDUSSCGKSA-N 0 1 316.357 1.902 40 0 DDABMN COCCC(=O)N1CCNC[C@H]1c1ccc(OC(C)C)cc1 ZINC000257320818 292273187 /nfs/dbraw/zinc/27/31/87/292273187.db2.gz VYTZDVJNFMDABD-INIZCTEOSA-N 0 1 306.406 1.983 40 0 DDABMN COC(=O)c1cc(Br)ccc1N1CCN(C)CC1 ZINC000039951703 407001225 /nfs/dbraw/zinc/00/12/25/407001225.db2.gz WBFFVVDESFYFOM-UHFFFAOYSA-N 0 1 313.195 1.988 40 0 DDABMN CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 ZINC000096049748 407228590 /nfs/dbraw/zinc/22/85/90/407228590.db2.gz FRMQNLYFNOOFBE-KRWDZBQOSA-N 0 1 319.405 1.033 40 0 DDABMN 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ZINC000223889608 418564451 /nfs/dbraw/zinc/56/44/51/418564451.db2.gz KOHIXIYOPXCYFO-UHFFFAOYSA-N 0 1 323.466 1.156 40 0 DDABMN CN1CC[C@@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)C[C@H]12 ZINC000096251825 290188312 /nfs/dbraw/zinc/18/83/12/290188312.db2.gz AJGZEHZHXBTMOY-IRXDYDNUSA-N 0 1 320.458 1.826 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C ZINC000072385989 301033921 /nfs/dbraw/zinc/03/39/21/301033921.db2.gz LFHRURZRVLTLCD-LBPRGKRZSA-N 0 1 323.422 1.676 40 0 DDABMN Cc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1cccs1 ZINC000257301699 302329491 /nfs/dbraw/zinc/32/94/91/302329491.db2.gz RZMQVLDCZZPORW-JTQLQIEISA-N 0 1 313.404 1.542 40 0 DDABMN CN(C)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000306129392 231086535 /nfs/dbraw/zinc/08/65/35/231086535.db2.gz IBVRTKCFJBEJJL-LSDHHAIUSA-N 0 1 304.394 1.038 40 0 DDABMN O=C(c1cnc[nH]1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 ZINC000575406765 354702462 /nfs/dbraw/zinc/70/24/62/354702462.db2.gz SDZPUDUIMJUNGR-CQSZACIVSA-N 0 1 323.356 1.710 40 0 DDABMN COC[C@]1(CC(=O)N(C)C)CCCN1Cc1nccn1C(C)C ZINC000585278966 354822568 /nfs/dbraw/zinc/82/25/68/354822568.db2.gz XHCVLNAPPCBJQY-QGZVFWFLSA-N 0 1 322.453 1.923 40 0 DDABMN C[C@]1(O)CN(C(=O)c2cnc[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257309364 203033949 /nfs/dbraw/zinc/03/39/49/203033949.db2.gz UAQMUPRBFKKHHR-HOCLYGCPSA-N 0 1 301.346 1.454 40 0 DDABMN CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc1 ZINC000257320974 203044271 /nfs/dbraw/zinc/04/42/71/203044271.db2.gz VZONMQRNIUXCIU-MRXNPFEDSA-N 0 1 313.405 1.854 40 0 DDABMN CN(C)Cc1cnc2n1CCN(C(=O)c1ccsc1)CC2 ZINC000096196792 193573109 /nfs/dbraw/zinc/57/31/09/193573109.db2.gz SRGHBKQOZYNSBX-UHFFFAOYSA-N 0 1 304.419 1.705 40 0 DDABMN Nc1nccc(NCCCCCCNc2cc[nH+]c(N)n2)n1 ZINC000001561250 406672669 /nfs/dbraw/zinc/67/26/69/406672669.db2.gz BBKMMLSLEFWHAE-UHFFFAOYSA-N 0 1 302.386 1.515 40 0 DDABMN Nc1nccc(NCCCCCCNc2ccnc(N)n2)n1 ZINC000001561250 406672676 /nfs/dbraw/zinc/67/26/76/406672676.db2.gz BBKMMLSLEFWHAE-UHFFFAOYSA-N 0 1 302.386 1.515 40 0 DDABMN COC(=O)Cc1c(C(=O)OC)[nH]c(C)c1C(=O)OC(C)(C)C ZINC000000398610 406644474 /nfs/dbraw/zinc/64/44/74/406644474.db2.gz HYVNSKSNJUIWLR-UHFFFAOYSA-N 0 1 311.334 1.781 40 0 DDABMN Cc1csc2nc3n(c(=O)c12)CCN(Cc1cnc[nH]1)CC3 ZINC000012088366 406834729 /nfs/dbraw/zinc/83/47/29/406834729.db2.gz VXAFGUOEBCFWHD-UHFFFAOYSA-N 0 1 315.402 1.548 40 0 DDABMN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(CCO)C2 ZINC000096225227 407252717 /nfs/dbraw/zinc/25/27/17/407252717.db2.gz OPYZXVGJRGIYST-INIZCTEOSA-N 0 1 303.362 1.228 40 0 DDABMN c1coc(CN2CCc3nnc(CN4CCCCC4)n3CC2)c1 ZINC000096259887 407258419 /nfs/dbraw/zinc/25/84/19/407258419.db2.gz VACQSXFQJUOZNS-UHFFFAOYSA-N 0 1 315.421 1.915 40 0 DDABMN COc1ncccc1CN1C[C@@H]2C[C@@H](c3n[nH]c(C)n3)O[C@@H]2C1 ZINC000096045876 407226920 /nfs/dbraw/zinc/22/69/20/407226920.db2.gz YBBGHMUVDWGXEY-MELADBBJSA-N 0 1 315.377 1.479 40 0 DDABMN c1csc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC000096055011 407229930 /nfs/dbraw/zinc/22/99/30/407229930.db2.gz VUFOFFZRZXYDCE-CHWSQXEVSA-N 0 1 317.418 1.271 40 0 DDABMN O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1 ZINC000096057593 407230631 /nfs/dbraw/zinc/23/06/31/407230631.db2.gz JGUQNROANVXCNL-NUEKZKHPSA-N 0 1 304.390 1.785 40 0 DDABMN CN(C)CC(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 ZINC000096109203 407237206 /nfs/dbraw/zinc/23/72/06/407237206.db2.gz KMHIRKLRJIZTPC-AEFFLSMTSA-N 0 1 324.465 1.620 40 0 DDABMN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(CC1CC1)C2 ZINC000096111941 407239049 /nfs/dbraw/zinc/23/90/49/407239049.db2.gz OSOIBIFVPDUQDG-HOCLYGCPSA-N 0 1 316.401 1.911 40 0 biogenic,in-vitro DDABMN O=C1NCCO[C@H]2CN(Cc3ccc4ccccc4n3)CC[C@@H]12 ZINC000096205874 407249717 /nfs/dbraw/zinc/24/97/17/407249717.db2.gz NWKRCRSBPOUWHL-WBVHZDCISA-N 0 1 311.385 1.572 40 0 DDABMN COCCN1CCO[C@H]2CCN(Cc3ncccc3C)C[C@@H]21 ZINC000108527352 407387445 /nfs/dbraw/zinc/38/74/45/407387445.db2.gz CIFHKNMXDNSYHM-IRXDYDNUSA-N 0 1 305.422 1.312 40 0 DDABMN c1c[nH]c(CN2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)n1 ZINC000257262510 407525487 /nfs/dbraw/zinc/52/54/87/407525487.db2.gz LLRTVSPFPUVDRW-HNNXBMFYSA-N 0 1 313.405 1.814 40 0 DDABMN O=C([O-])C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079413623 185170451 /nfs/dbraw/zinc/17/04/51/185170451.db2.gz GMCJAJRDQGANJE-CQSZACIVSA-N 0 1 306.362 1.709 40 0 DDABMN Cc1cn[nH]c1[C@@]1(C)CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000072388854 191147314 /nfs/dbraw/zinc/14/73/14/191147314.db2.gz UMRHSPDGKXCTPR-AWEZNQCLSA-N 0 1 323.422 1.194 40 0 DDABMN CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 ZINC000006159510 352116011 /nfs/dbraw/zinc/11/60/11/352116011.db2.gz JQPTZTSFASQWTG-UHFFFAOYSA-N 0 1 320.462 1.907 40 0 DDABMN C[NH+]1CCN(c2nn(-c3ccc(Cl)cc3)nc2C(=O)[O-])CC1 ZINC000256047283 354388617 /nfs/dbraw/zinc/38/86/17/354388617.db2.gz LPWDIGMBWKQFGJ-UHFFFAOYSA-N 0 1 321.768 1.371 40 0 DDABMN O=C(c1ccn[nH]1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000575402790 354700505 /nfs/dbraw/zinc/70/05/05/354700505.db2.gz CSZUFICZODCSNN-NSHDSACASA-N 0 1 316.386 1.584 40 0 DDABMN CCOC[C@@H]1CN(C)C2(CN(C(=O)c3cncc(C)c3)C2)C1 ZINC000585093736 354803347 /nfs/dbraw/zinc/80/33/47/354803347.db2.gz BDAFARPYUCGGEQ-AWEZNQCLSA-N 0 1 303.406 1.573 40 0 DDABMN Cc1cccc(CN2CCC[C@@](O)(CCC(=O)N(C)C)C2)n1 ZINC000585276868 354820731 /nfs/dbraw/zinc/82/07/31/354820731.db2.gz SDQLCIQHEKNURE-QGZVFWFLSA-N 0 1 305.422 1.585 40 0 DDABMN Cc1ccccc1C[C@]1(CO)CN(C(=O)c2cnc[nH]2)CCO1 ZINC000585277732 354821660 /nfs/dbraw/zinc/82/16/60/354821660.db2.gz XIXRNLCPUZXDTD-QGZVFWFLSA-N 0 1 315.373 1.164 40 0 DDABMN COc1ccc2[nH]c(CN3C[C@H](O)[C@]4(CCCO4)C3)cc2c1 ZINC000257270475 203000186 /nfs/dbraw/zinc/00/01/86/203000186.db2.gz MUIZOVOEHPJGEQ-IRXDYDNUSA-N 0 1 302.374 1.902 40 0 DDABMN Cc1nc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)co1 ZINC000257299373 203024233 /nfs/dbraw/zinc/02/42/33/203024233.db2.gz RPTPWFHUEWXAFI-CYBMUJFWSA-N 0 1 316.361 1.434 40 0 DDABMN Cc1ncoc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 ZINC000257290496 203014860 /nfs/dbraw/zinc/01/48/60/203014860.db2.gz QDEJXFYKTXXPFU-ZDUSSCGKSA-N 0 1 316.361 1.434 40 0 DDABMN OCC[N@H+]1CCCC[C@H]1c1ccnc([N-]c2ncccn2)n1 ZINC000072377400 406882000 /nfs/dbraw/zinc/88/20/00/406882000.db2.gz PLSZHGDTKDQBIJ-ZDUSSCGKSA-N 0 1 300.366 1.530 40 0 DDABMN O=C(c1ccoc1)N1CCO[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228912 407253922 /nfs/dbraw/zinc/25/39/22/407253922.db2.gz QYQKUYOGGNAFJX-QGZVFWFLSA-N 0 1 320.389 1.233 40 0 DDABMN CCC(=O)N1CC[C@@H](OC)[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096108580 407237817 /nfs/dbraw/zinc/23/78/17/407237817.db2.gz AFDGTVAEUHZPLV-ARFHVFGLSA-N 0 1 303.406 1.539 40 0 DDABMN Cc1ccoc1C(=O)N1CCc2ncc(CN(C)C)n2CC1 ZINC000096196800 407246974 /nfs/dbraw/zinc/24/69/74/407246974.db2.gz GPYDBZNQZFOXFV-UHFFFAOYSA-N 0 1 302.378 1.545 40 0 DDABMN CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cnccn1)C2 ZINC000096201064 407248237 /nfs/dbraw/zinc/24/82/37/407248237.db2.gz CTZLCPMZJNVWIB-UHFFFAOYSA-N 0 1 314.393 1.169 40 0 DDABMN O=C([C@H]1CN(Cc2cccnc2)[C@@H]2CCO[C@@H]21)N1CCCCO1 ZINC000108525863 407386978 /nfs/dbraw/zinc/38/69/78/407386978.db2.gz HDPLJDHLYOMEFH-ARFHVFGLSA-N 0 1 317.389 1.225 40 0 DDABMN Cc1ncc(CN2CCC[C@@H]2c2nccc(CN(C)C)n2)cn1 ZINC000257217261 407499771 /nfs/dbraw/zinc/49/97/71/407499771.db2.gz CYFSUNZLHHTNLR-MRXNPFEDSA-N 0 1 312.421 1.974 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000257222531 407504162 /nfs/dbraw/zinc/50/41/62/407504162.db2.gz DTQJPZMBDNIYOD-CQSZACIVSA-N 0 1 318.421 1.827 40 0 DDABMN O=C(c1ccn[nH]1)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257263986 407525876 /nfs/dbraw/zinc/52/58/76/407525876.db2.gz LSJIIIYIHIAWKE-GFCCVEGCSA-N 0 1 312.333 1.525 40 0 DDABMN CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225574136 407596861 /nfs/dbraw/zinc/59/68/61/407596861.db2.gz ADISNKZMDIFBLW-MRVPVSSYSA-N 0 1 320.440 1.600 40 0 DDABMN CN(C)CC(=O)N1CC2(C1)C[C@H](OCc1ccncc1)CS2 ZINC000248066839 408532588 /nfs/dbraw/zinc/53/25/88/408532588.db2.gz ZYNINTGYPHOQAS-AWEZNQCLSA-N 0 1 321.446 1.246 40 0 DDABMN Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCCO)n1 ZINC000329002851 410045283 /nfs/dbraw/zinc/04/52/83/410045283.db2.gz KKAMROMAFPKIPW-UHFFFAOYSA-N 0 1 312.417 2.487 40 0 DDABMN N[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218039037 484146995 /nfs/dbraw/zinc/14/69/95/484146995.db2.gz CDUKAWAUSBSEPE-PMPSAXMXSA-N 0 1 303.383 1.316 40 0 DDABMN CN1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253403421 186307527 /nfs/dbraw/zinc/30/75/27/186307527.db2.gz PUXMLSVQGWYXNU-INIZCTEOSA-N 0 1 316.449 1.606 40 0 biogenic,in-vitro DDABMN Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2CCO)n1 ZINC000072382629 191143301 /nfs/dbraw/zinc/14/33/01/191143301.db2.gz WXTUMLNKALGSMY-CQSZACIVSA-N 0 1 314.393 1.838 40 0 DDABMN CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCCN(Cc2cnc[nH]2)C1 ZINC000072388715 191147933 /nfs/dbraw/zinc/14/79/33/191147933.db2.gz LFZPSIRDIKFUNJ-INIZCTEOSA-N 0 1 316.409 1.388 40 0 DDABMN CNc1ccc([C@H]2CN(c3cc(C)nc(N)n3)CCO2)nc1 ZINC000072388050 191146039 /nfs/dbraw/zinc/14/60/39/191146039.db2.gz SMMQRWITQKYPOY-CYBMUJFWSA-N 0 1 300.366 1.382 40 0 DDABMN CCn1cccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000008477459 352134366 /nfs/dbraw/zinc/13/43/66/352134366.db2.gz YPRZECQWYYDCTC-JLHYYAGUSA-N 0 1 301.346 1.912 40 0 DDABMN COCc1nnc2n1CCN(Cc1ncccc1C)[C@H](C)C2 ZINC000585098489 354805679 /nfs/dbraw/zinc/80/56/79/354805679.db2.gz UBVCOJXZZWGRFJ-CYBMUJFWSA-N 0 1 301.394 1.575 40 0 DDABMN CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000585279291 354822213 /nfs/dbraw/zinc/82/22/13/354822213.db2.gz XTOXTOSKECHOIG-MRXNPFEDSA-N 0 1 320.393 1.044 40 0 DDABMN COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000006412822 181339216 /nfs/dbraw/zinc/33/92/16/181339216.db2.gz MRGGPSFQOAAEPE-UHFFFAOYSA-N 0 1 316.342 1.374 40 0 DDABMN O=C(NCC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCN1 ZINC000257315012 203037778 /nfs/dbraw/zinc/03/77/78/203037778.db2.gz UZNBWIDUTQELST-MRXNPFEDSA-N 0 1 321.396 1.147 40 0 DDABMN COc1cccc(CN2CCN(C(=O)c3ccn[nH]3)[C@@H](C)C2)c1 ZINC000019575616 182131551 /nfs/dbraw/zinc/13/15/51/182131551.db2.gz UQDFDMGDLVTVOC-ZDUSSCGKSA-N 0 1 314.389 1.765 40 0 DDABMN O=C(CNCc1cccs1)NCc1ccc2c(c1)OCO2 ZINC000035311462 406971112 /nfs/dbraw/zinc/97/11/12/406971112.db2.gz KFBDRRNVHZSXOC-UHFFFAOYSA-N 0 1 304.371 1.883 40 0 DDABMN Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)CN(C)C)C[C@H]3O2)n1 ZINC000096046375 407227257 /nfs/dbraw/zinc/22/72/57/407227257.db2.gz WVDAMFGGTUCHDM-AEGPPILISA-N 0 1 304.394 1.025 40 0 DDABMN CC(C)N(C)Cc1nnc2n1CCN(Cc1cccnc1)CC2 ZINC000096058956 407231800 /nfs/dbraw/zinc/23/18/00/407231800.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 0 1 314.437 1.572 40 0 DDABMN O=C([O-])c1ccccc1-n1cc(C[N@@H+]2CC[C@H](CO)C2)cn1 ZINC000257251172 407520009 /nfs/dbraw/zinc/52/00/09/407520009.db2.gz JPSSVVYABCNZKE-LBPRGKRZSA-N 0 1 301.346 1.385 40 0 DDABMN CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H](C(=O)N(C)C)C1 ZINC000257281787 407529628 /nfs/dbraw/zinc/52/96/28/407529628.db2.gz OQZZWIAIVJHVLT-HNNXBMFYSA-N 0 1 321.396 1.194 40 0 DDABMN O=C(CCc1nc[nH]n1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000331508508 409583972 /nfs/dbraw/zinc/58/39/72/409583972.db2.gz KPUDMXIGASOPPD-GXFFZTMASA-N 0 1 322.315 1.350 40 0 DDABMN Cc1ccccc1CNc1cc(C2CC2)nc(N[C@@H](C)CO)n1 ZINC000329068765 410082157 /nfs/dbraw/zinc/08/21/57/410082157.db2.gz YSPYZNBAFQMQFX-ZDUSSCGKSA-N 0 1 312.417 1.911 40 0 DDABMN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3CCO)n2)n1 ZINC000072383048 191142972 /nfs/dbraw/zinc/14/29/72/191142972.db2.gz DOSGNSWPIHFPRR-AWEZNQCLSA-N 0 1 314.393 1.756 40 0 DDABMN CCCOc1c(OC)cc(CN=Nc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000019594154 352168821 /nfs/dbraw/zinc/16/88/21/352168821.db2.gz VKTNZCANDSVLDS-UHFFFAOYSA-N 0 1 321.297 1.351 40 0 DDABMN COc1ccc(C[C@H]2COCCN(CC(=O)N(C)C)C2)cc1 ZINC000257298407 203023776 /nfs/dbraw/zinc/02/37/76/203023776.db2.gz RLMFNAGYXIUXCC-OAHLLOKOSA-N 0 1 306.406 1.274 40 0 DDABMN CN(C)Cc1cnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH]1 ZINC000257289666 203014997 /nfs/dbraw/zinc/01/49/97/203014997.db2.gz PZRJYGDYXUJSAE-AWEZNQCLSA-N 0 1 315.377 1.080 40 0 DDABMN Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2[nH]ncc2C)n1 ZINC000257322217 203048133 /nfs/dbraw/zinc/04/81/33/203048133.db2.gz WFBCPMCPRLSFSV-ZDUSSCGKSA-N 0 1 303.366 1.132 40 0 DDABMN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1csc(C(C)C)c1 ZINC000257326186 203049773 /nfs/dbraw/zinc/04/97/73/203049773.db2.gz WWEJSAHXNSVXDA-NEPJUHHUSA-N 0 1 309.435 1.278 40 0 DDABMN CN(C)CCCNc1c(=O)c(=O)c1NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000101676163 193834560 /nfs/dbraw/zinc/83/45/60/193834560.db2.gz RYXJDOGPEZIOET-FRRDWIJNSA-N 0 1 303.406 1.270 40 0 DDABMN Cc1nc2n(n1)CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2 ZINC000012143348 406835307 /nfs/dbraw/zinc/83/53/07/406835307.db2.gz QBQGFGCMDCQHPH-UHFFFAOYSA-N 0 1 314.374 1.694 40 0 DDABMN CCOC(=O)[C@H]1C[C@@]2(c3ccccc3NC2=O)N2CCC[C@H]12 ZINC000054969060 407190688 /nfs/dbraw/zinc/19/06/88/407190688.db2.gz PQRURSASPIIZFM-KHIZAZIESA-N 0 1 300.358 1.881 40 0 DDABMN Cc1nnc(C[C@@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)o1 ZINC000096215397 407251271 /nfs/dbraw/zinc/25/12/71/407251271.db2.gz XZAQLXFBPQFOBS-RWMBFGLXSA-N 0 1 320.418 1.975 40 0 DDABMN Cc1ccc(CN2CCC[C@]3(CCN(S(C)(=O)=O)C3)C2)o1 ZINC000096215959 407251299 /nfs/dbraw/zinc/25/12/99/407251299.db2.gz GQTOKPPSLWSUQK-HNNXBMFYSA-N 0 1 312.435 1.836 40 0 DDABMN CC(C)N1CCOC[C@]2(CN(C(=O)c3ccoc3)CCO2)C1 ZINC000096049741 407227844 /nfs/dbraw/zinc/22/78/44/407227844.db2.gz XBPOMKALQUYXRW-MRXNPFEDSA-N 0 1 308.378 1.231 40 0 DDABMN Cn1ccnc1CN1Cc2n[nH]c(COc3cccnc3)c2C1 ZINC000096091057 407236072 /nfs/dbraw/zinc/23/60/72/407236072.db2.gz AXNLWMJXJXGXJZ-UHFFFAOYSA-N 0 1 310.361 1.633 40 0 DDABMN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)cn1 ZINC000096184546 407244237 /nfs/dbraw/zinc/24/42/37/407244237.db2.gz ZFNYLASTWOGVHN-CVEARBPZSA-N 0 1 311.389 1.304 40 0 DDABMN COCCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000096183610 407245004 /nfs/dbraw/zinc/24/50/04/407245004.db2.gz BGLZBPSUZBFQDA-MELADBBJSA-N 0 1 310.419 1.243 40 0 DDABMN c1cc(CN2CCc3ncc(Cn4cncn4)n3CC2)cs1 ZINC000096196982 407247989 /nfs/dbraw/zinc/24/79/89/407247989.db2.gz BXLUMLLPFUIASC-UHFFFAOYSA-N 0 1 314.418 1.643 40 0 DDABMN O=C(NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)C1CCC1 ZINC000096208945 407250468 /nfs/dbraw/zinc/25/04/68/407250468.db2.gz CWLWWVCNPJEBKR-WBVHZDCISA-N 0 1 304.390 1.644 40 0 DDABMN Cc1c(CN2CCC[C@H]2c2nccc(CN(C)C)n2)cnn1C ZINC000257221891 407502575 /nfs/dbraw/zinc/50/25/75/407502575.db2.gz DQZGOSQBXTVVLN-INIZCTEOSA-N 0 1 314.437 1.917 40 0 DDABMN c1cnc(O[C@@H]2CCOC3(CN(CC4CCOCC4)C3)C2)cn1 ZINC000253477982 407450328 /nfs/dbraw/zinc/45/03/28/407450328.db2.gz IMSAGXBMZJGUSP-OAHLLOKOSA-N 0 1 319.405 1.515 40 0 DDABMN CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnco2)n1 ZINC000257242410 407514790 /nfs/dbraw/zinc/51/47/90/407514790.db2.gz ICILEJWGDWUZSP-LBPRGKRZSA-N 0 1 301.350 1.504 40 0 DDABMN Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000257265348 407527065 /nfs/dbraw/zinc/52/70/65/407527065.db2.gz LYHRDPPXXMOPEI-CYBMUJFWSA-N 0 1 320.418 1.757 40 0 DDABMN CC(=O)N1CCC[C@@H]2N(C(=O)CN3CCCCC3)CCC[C@@]21C ZINC000257328192 407533837 /nfs/dbraw/zinc/53/38/37/407533837.db2.gz XEOFXGKVOZOHKY-WMZOPIPTSA-N 0 1 321.465 1.864 40 0 DDABMN C[C@H](CO)Nc1nc(NCCc2ccncc2)cc(C2CC2)n1 ZINC000329066168 410083356 /nfs/dbraw/zinc/08/33/56/410083356.db2.gz XXUMPXXDFFVWLR-GFCCVEGCSA-N 0 1 313.405 1.040 40 0 DDABMN CN(C)CC(=O)N1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 ZINC000096244742 289072981 /nfs/dbraw/zinc/07/29/81/289072981.db2.gz DVBJPZZJUNDZQP-MRXNPFEDSA-N 0 1 315.417 1.370 40 0 DDABMN C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000072388752 191147950 /nfs/dbraw/zinc/14/79/50/191147950.db2.gz UKIATODXYCGTOW-QGZVFWFLSA-N 0 1 312.373 1.703 40 0 DDABMN COCc1nnc2n1CCN(Cc1cccc(OC)c1)[C@@H](C)C2 ZINC000585097761 354805776 /nfs/dbraw/zinc/80/57/76/354805776.db2.gz NWXXURXQNOOXOF-ZDUSSCGKSA-N 0 1 316.405 1.880 40 0 DDABMN Cc1n[nH]cc1CN1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585273952 354818652 /nfs/dbraw/zinc/81/86/52/354818652.db2.gz GXTUAELODXDIKQ-MRXNPFEDSA-N 0 1 305.353 1.873 40 0 DDABMN CC1(C)S[C@@H](CNC(=O)COc2ccccc2)[NH2+][C@@H]1C(=O)[O-] ZINC000006755023 181383731 /nfs/dbraw/zinc/38/37/31/181383731.db2.gz NABJOXIJXQOSPN-QWHCGFSZSA-N 0 1 324.402 1.076 40 0 in-vitro DDABMN CN1CCC[C@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257276739 203005405 /nfs/dbraw/zinc/00/54/05/203005405.db2.gz NUXQLSDZBJXSJU-ZDUSSCGKSA-N 0 1 318.377 1.749 40 0 DDABMN C[C@]1(O)CN(C(=O)c2ccn[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257308917 203033353 /nfs/dbraw/zinc/03/33/53/203033353.db2.gz TYSODXAEWGGOFO-HOCLYGCPSA-N 0 1 301.346 1.454 40 0 DDABMN O=C(CCCN1CCCC1=O)N1CCNC[C@@H]1c1ccccc1 ZINC000257321871 203045795 /nfs/dbraw/zinc/04/57/95/203045795.db2.gz WDPOGZFJIGSPID-MRXNPFEDSA-N 0 1 315.417 1.562 40 0 DDABMN Cc1c(CN2CCC(CC(=O)N3CCCC3)CC2)cnn1C ZINC000019748397 182142975 /nfs/dbraw/zinc/14/29/75/182142975.db2.gz AHJATHSXIONPGF-UHFFFAOYSA-N 0 1 304.438 1.953 40 0 DDABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=O)NC1=O ZINC000002930688 406706685 /nfs/dbraw/zinc/70/66/85/406706685.db2.gz WDKUQPOSYZGRIV-UEUZTHOGSA-N 0 1 301.327 1.892 40 0 DDABMN O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@H]12)N1CCCO1 ZINC000096219027 407251947 /nfs/dbraw/zinc/25/19/47/407251947.db2.gz QCNUKROTFIDENS-BZUAXINKSA-N 0 1 317.389 1.082 40 0 DDABMN Cn1cc(CN2CC[C@@H]3CN(c4nncs4)C[C@H]3C2)cn1 ZINC000096249191 407255841 /nfs/dbraw/zinc/25/58/41/407255841.db2.gz RZJGUKCZBCOLAA-CHWSQXEVSA-N 0 1 304.423 1.230 40 0 DDABMN Cn1cc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cn1 ZINC000096048552 407227629 /nfs/dbraw/zinc/22/76/29/407227629.db2.gz GMTRBYDZPCYKBM-HOTGVXAUSA-N 0 1 301.394 1.613 40 0 DDABMN COCCN1CCOC[C@]2(CCCN(c3nccs3)C2)C1 ZINC000096076287 407235105 /nfs/dbraw/zinc/23/51/05/407235105.db2.gz SEAIDUJWEGGBKY-OAHLLOKOSA-N 0 1 311.451 1.708 40 0 DDABMN Cc1occc1C(=O)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096183298 407243887 /nfs/dbraw/zinc/24/38/87/407243887.db2.gz JMDZVGXNSQZVTL-LSDHHAIUSA-N 0 1 304.390 1.913 40 0 DDABMN O=C(C1CC=CC1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 ZINC000096205877 407249997 /nfs/dbraw/zinc/24/99/97/407249997.db2.gz PGKDTJJBWOKPOJ-DLBZAZTESA-N 0 1 316.401 1.905 40 0 DDABMN CCS(=O)(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000068043952 407293574 /nfs/dbraw/zinc/29/35/74/407293574.db2.gz QZGJJHRXGIYAQO-UHFFFAOYSA-N 0 1 312.420 1.503 40 0 DDABMN c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000107728903 407378735 /nfs/dbraw/zinc/37/87/35/407378735.db2.gz MBSBCQFCOBOGPW-WBVHZDCISA-N 0 1 311.389 1.717 40 0 DDABMN CCOc1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)cc1CO ZINC000257210447 407496945 /nfs/dbraw/zinc/49/69/45/407496945.db2.gz BUQPQBWZXXJDNC-IRXDYDNUSA-N 0 1 307.390 1.303 40 0 DDABMN COCCC(=O)N1CCC[C@@H](c2cc3cncn3c(C)n2)C1 ZINC000257236525 407510281 /nfs/dbraw/zinc/51/02/81/407510281.db2.gz HCPBQXXTRPZSDB-CYBMUJFWSA-N 0 1 302.378 1.780 40 0 DDABMN Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000257263725 407526930 /nfs/dbraw/zinc/52/69/30/407526930.db2.gz LRDTZWGIZHOGTF-GFCCVEGCSA-N 0 1 312.373 1.937 40 0 DDABMN CN1CCC[C@@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257276738 277065934 /nfs/dbraw/zinc/06/59/34/277065934.db2.gz NUXQLSDZBJXSJU-CYBMUJFWSA-N 0 1 318.377 1.749 40 0 DDABMN CN(C)C(=O)[C@]1(C)CN(Cc2cn(C)c3ccccc23)CCO1 ZINC000072379848 191143198 /nfs/dbraw/zinc/14/31/98/191143198.db2.gz AGYYLWVUQKLAKL-SFHVURJKSA-N 0 1 315.417 1.857 40 0 DDABMN Cc1nc([C@@H]2CCN2C(=O)c2ccn[nH]2)cc(N2CCCC2)n1 ZINC000072387485 191145634 /nfs/dbraw/zinc/14/56/34/191145634.db2.gz ZTPOXDPSFUAOBR-AWEZNQCLSA-N 0 1 312.377 1.696 40 0 DDABMN Cn1cc(CN2CC[C@H](O)[C@H](Cc3cccc(F)c3)C2)cn1 ZINC000585273845 354818660 /nfs/dbraw/zinc/81/86/60/354818660.db2.gz FGDDDGSPXCUBTI-WBVHZDCISA-N 0 1 303.381 1.985 40 0 DDABMN CCOC(=O)Nc1nc2ccccc2n1CN1CCN(C)CC1 ZINC000022922355 182340849 /nfs/dbraw/zinc/34/08/49/182340849.db2.gz WMLYGGSMLPVFNB-UHFFFAOYSA-N 0 1 317.393 1.810 40 0 DDABMN CS(=O)(=O)N1CCC(N2CCC[C@H]2c2ccncn2)CC1 ZINC000257271147 257233417 /nfs/dbraw/zinc/23/34/17/257233417.db2.gz MXBFLZQQBYCDEP-AWEZNQCLSA-N 0 1 310.423 1.038 40 0 DDABMN OCC[NH+](CCO)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001687508 406674929 /nfs/dbraw/zinc/67/49/29/406674929.db2.gz ZUMSZBGPBCFEDO-UHFFFAOYSA-N 0 1 323.824 1.977 40 0 DDABMN COC(=O)c1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000028210328 406915925 /nfs/dbraw/zinc/91/59/25/406915925.db2.gz IGAIYEZXUXYMTD-UHFFFAOYSA-N 0 1 323.308 1.962 40 0 DDABMN C[N@@H+]1CC=C(c2c(C(=O)[O-])nnn2-c2ccc(F)cc2)CC1 ZINC000096031999 407224289 /nfs/dbraw/zinc/22/42/89/407224289.db2.gz FGBYQWADAGXJHS-UHFFFAOYSA-N 0 1 302.309 1.824 40 0 DDABMN CN(C)CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1 ZINC000096081077 407234688 /nfs/dbraw/zinc/23/46/88/407234688.db2.gz BTMIHLMBIOQWME-ZIAGYGMSSA-N 0 1 316.405 1.170 40 0 DDABMN CO[C@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109475 407237248 /nfs/dbraw/zinc/23/72/48/407237248.db2.gz SZUHTGQAURFYRB-XHSDSOJGSA-N 0 1 318.421 1.284 40 0 DDABMN CC(=O)NCc1cc([C@H]2CCCN2Cc2cnn(C)c2)ccn1 ZINC000257232569 407509835 /nfs/dbraw/zinc/50/98/35/407509835.db2.gz GLKSUZJXDSTMTL-QGZVFWFLSA-N 0 1 313.405 1.788 40 0 DDABMN O=C(c1cc2c(s1)CCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257215101 407497792 /nfs/dbraw/zinc/49/77/92/407497792.db2.gz CORSOCBRWLSQNQ-CHWSQXEVSA-N 0 1 306.431 1.518 40 0 DDABMN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(N)CO)cc1 ZINC000218050496 407512334 /nfs/dbraw/zinc/51/23/34/407512334.db2.gz JXBFZNILVDCIJW-IKGGRYGDSA-N 0 1 317.410 1.625 40 0 DDABMN CC(=O)N1CCC(C(=O)N2CC[C@H](c3[nH]ncc3C)C2)CC1 ZINC000257241785 407514693 /nfs/dbraw/zinc/51/46/93/407514693.db2.gz HZOVWEKGGOPDQC-AWEZNQCLSA-N 0 1 304.394 1.293 40 0 DDABMN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 ZINC000218444183 407519522 /nfs/dbraw/zinc/51/95/22/407519522.db2.gz DZEVCIXWBXZONC-YESZJQIVSA-N 0 1 317.410 1.625 40 0 DDABMN CN(C)CC(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000248066842 408532167 /nfs/dbraw/zinc/53/21/67/408532167.db2.gz ZYNINTGYPHOQAS-CQSZACIVSA-N 0 1 321.446 1.246 40 0 DDABMN CC[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000019746122 281051293 /nfs/dbraw/zinc/05/12/93/281051293.db2.gz MWYSQDYBTPCYFU-AWEZNQCLSA-N 0 1 321.425 1.174 40 0 DDABMN 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