smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nc(-c2ccccc2)nc1[C@H]1CC[N@@H+](CCOC)C1 ZINC000824412401 783594585 /nfs/dbraw/zinc/59/45/85/783594585.db2.gz NSJBRWHWMWMDRI-HNNXBMFYSA-N 1 1 300.406 2.401 50 0 DEAAMO COc1ccc(CNC(=O)N2CCC[N@H+](C3CCC3)CC2)cc1 ZINC000824670852 783600438 /nfs/dbraw/zinc/60/04/38/783600438.db2.gz FMQPCUSVWVTMAX-UHFFFAOYSA-N 1 1 317.433 2.465 50 0 DEAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCc1cn2ccccc2n1 ZINC000827802697 783690239 /nfs/dbraw/zinc/69/02/39/783690239.db2.gz UEFLLFSNOUNJIS-CYBMUJFWSA-N 1 1 311.389 2.149 50 0 DEAAMO C[N@H+](CC(=O)NCc1cccc(CO)c1)Cc1ccc(F)cc1 ZINC000828827657 783861850 /nfs/dbraw/zinc/86/18/50/783861850.db2.gz WUOKZUAFQYYSNC-UHFFFAOYSA-N 1 1 316.376 2.066 50 0 DEAAMO C[N@@H+](CC(=O)NCc1cccc(CO)c1)Cc1ccc(F)cc1 ZINC000828827657 783861861 /nfs/dbraw/zinc/86/18/61/783861861.db2.gz WUOKZUAFQYYSNC-UHFFFAOYSA-N 1 1 316.376 2.066 50 0 DEAAMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)[C@H](N(C)C)C2)s1 ZINC000575542716 784252667 /nfs/dbraw/zinc/25/26/67/784252667.db2.gz WHSRGWMJYMCJCT-LSDHHAIUSA-N 1 1 319.478 2.403 50 0 DEAAMO O=C(c1ccccc1)N1CC([N@@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794413 784783783 /nfs/dbraw/zinc/78/37/83/784783783.db2.gz CZOMGIMPOXJIRR-UHFFFAOYSA-N 1 1 314.429 2.402 50 0 DEAAMO COCCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)NC(C)C)C1 ZINC000581815674 784787920 /nfs/dbraw/zinc/78/79/20/784787920.db2.gz FUAUQFLEUKMNAU-AWEZNQCLSA-N 1 1 308.426 2.135 50 0 DEAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2cn[nH]c2)C1 ZINC000584907052 789633894 /nfs/dbraw/zinc/63/38/94/789633894.db2.gz BKMRZPUUSRPRMH-ZBFHGGJFSA-N 1 1 306.454 2.359 50 0 DEAAMO O=C(C(F)F)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000585089499 789691355 /nfs/dbraw/zinc/69/13/55/789691355.db2.gz RYAVBNNTIIKOCE-HNNXBMFYSA-N 1 1 323.387 2.065 50 0 DEAAMO CC(C)[N@@H+](C)Cc1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000585090518 789694857 /nfs/dbraw/zinc/69/48/57/789694857.db2.gz BQEVRHWLPZWOPC-SFHVURJKSA-N 1 1 317.433 2.382 50 0 DEAAMO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nncn2C)cc1 ZINC000952868293 792784698 /nfs/dbraw/zinc/78/46/98/792784698.db2.gz IUERZQRGHYPXCG-NSHDSACASA-N 1 1 312.377 2.065 50 0 DEAAMO CCOc1ccc2nc(C[N@@H+](C)[C@@H](C)CC(N)=O)ccc2c1 ZINC000952872129 792788924 /nfs/dbraw/zinc/78/89/24/792788924.db2.gz KKUWSPBRMASORS-LBPRGKRZSA-N 1 1 301.390 2.329 50 0 DEAAMO Cc1ccccc1OCC(=O)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939087 799506560 /nfs/dbraw/zinc/50/65/60/799506560.db2.gz KDNXXQRYUCEXAW-UHFFFAOYSA-N 1 1 302.418 2.461 50 0 DEAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@H]2O)on1 ZINC001529153430 1070885395 /nfs/dbraw/zinc/88/53/95/1070885395.db2.gz BFFSSGPROIHWES-NVXWUHKLSA-N 1 1 311.385 2.500 50 0 DEAAMO CCc1nc(C)c(C[N@H+]2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)[nH]1 ZINC001529182569 1070906777 /nfs/dbraw/zinc/90/67/77/1070906777.db2.gz UUCBTLDRWCVGSJ-CJNGLKHVSA-N 1 1 318.421 2.266 50 0 DEAAMO Cc1[nH+]ccn1CC(=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506396976 1061935416 /nfs/dbraw/zinc/93/54/16/1061935416.db2.gz KTMPNVXAISTPIC-INIZCTEOSA-N 1 1 319.430 2.225 50 0 DEAAMO C[N@H+]1CCCN(CC(=O)Nc2nc3c(cccc3F)s2)CC1 ZINC001506400898 1061939698 /nfs/dbraw/zinc/93/96/98/1061939698.db2.gz LLPQJUGQYOZOHG-UHFFFAOYSA-N 1 1 322.409 2.011 50 0 DEAAMO CN(C)C(=O)[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCO1 ZINC001506401731 1061942631 /nfs/dbraw/zinc/94/26/31/1061942631.db2.gz JUPYIDDSHBLOKU-OAHLLOKOSA-N 1 1 319.792 2.182 50 0 DEAAMO O=C(c1ccncc1)N1CCC([N@H+]2CCn3cccc3C2)CC1 ZINC001506404888 1061946111 /nfs/dbraw/zinc/94/61/11/1061946111.db2.gz JOHZWBLWAPFMDN-UHFFFAOYSA-N 1 1 310.401 2.004 50 0 DEAAMO CCS(=O)(=O)N[C@@H](CCn1cc[nH+]c1C)c1ccccc1 ZINC000823412711 1090677242 /nfs/dbraw/zinc/67/72/42/1090677242.db2.gz KNCMTNOXYVAAEY-HNNXBMFYSA-N 1 1 307.419 2.262 50 0 DEAAMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000081818488 192328174 /nfs/dbraw/zinc/32/81/74/192328174.db2.gz CGOFNMXLHUOTKZ-RDJZCZTQSA-N 1 1 308.422 2.095 50 0 DEAAMO CCn1ccnc1CN1CC[N@@H+](CCc2ccccn2)C[C@H]1C ZINC000252474429 529568611 /nfs/dbraw/zinc/56/86/11/529568611.db2.gz DIBAMQOYSQNGMH-MRXNPFEDSA-N 1 1 313.449 2.047 50 0 DEAAMO COCC(=O)Nc1ccc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000088685791 185262480 /nfs/dbraw/zinc/26/24/80/185262480.db2.gz ZRVSPOYJQBPKLQ-CJNGLKHVSA-N 1 1 305.422 2.412 50 0 DEAAMO Cn1cc[nH+]c1[C@@H]1CCCN(Cc2nc(C(F)(F)F)no2)C1 ZINC000082114386 192358256 /nfs/dbraw/zinc/35/82/56/192358256.db2.gz UAVUQQPWDBAHSF-SECBINFHSA-N 1 1 315.299 2.202 50 0 DEAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)CN1CCCO ZINC000082134051 192360394 /nfs/dbraw/zinc/36/03/94/192360394.db2.gz FXPJWLUBPGIUDA-QGZVFWFLSA-N 1 1 322.474 2.335 50 0 DEAAMO CCn1nc(C)c(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000095398698 185353616 /nfs/dbraw/zinc/35/36/16/185353616.db2.gz ZPXHFFGGJDMEBO-HNNXBMFYSA-N 1 1 323.437 2.033 50 0 DEAAMO O=C(COc1ccccc1)N1CCC[N@H+](Cc2ccco2)CC1 ZINC000097032713 185399431 /nfs/dbraw/zinc/39/94/31/185399431.db2.gz JULDTRWFXXSZKV-UHFFFAOYSA-N 1 1 314.385 2.393 50 0 DEAAMO O=C(COc1ccccc1)N1CCC[N@@H+](Cc2ccco2)CC1 ZINC000097032713 185399432 /nfs/dbraw/zinc/39/94/32/185399432.db2.gz JULDTRWFXXSZKV-UHFFFAOYSA-N 1 1 314.385 2.393 50 0 DEAAMO C[N@@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241774145 530022601 /nfs/dbraw/zinc/02/26/01/530022601.db2.gz RNKQLENKNODXPN-APHBMKBZSA-N 1 1 312.417 2.457 50 0 DEAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnns2)[C@H]1c1cccs1 ZINC000247203578 530055105 /nfs/dbraw/zinc/05/51/05/530055105.db2.gz BXXAXXMMXFJJJC-GWCFXTLKSA-N 1 1 322.459 2.413 50 0 DEAAMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC(=O)N2CCCCCC2)n[nH]1 ZINC000090528141 539417332 /nfs/dbraw/zinc/41/73/32/539417332.db2.gz ZRWOQHGIVKWCFI-KBPBESRZSA-N 1 1 306.454 2.420 50 0 DEAAMO CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000096419267 539434023 /nfs/dbraw/zinc/43/40/23/539434023.db2.gz WLMXEIHFSLRBKP-QWHCGFSZSA-N 1 1 308.447 2.386 50 0 DEAAMO COCC[N@H+]1CC[C@H](CNC(=O)/C=C\c2c(F)cccc2F)C1 ZINC000103922197 539437681 /nfs/dbraw/zinc/43/76/81/539437681.db2.gz QNTNNMUHORFBAP-CFHLNLSMSA-N 1 1 324.371 2.063 50 0 DEAAMO COc1cccc(C2=CC[N@@H+](CCN3CCOC3=O)CC2)c1 ZINC000083970565 192393464 /nfs/dbraw/zinc/39/34/64/192393464.db2.gz CWSNWFWVHLUKKI-UHFFFAOYSA-N 1 1 302.374 2.237 50 0 DEAAMO OCCC[N@@H+]1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071746092 191019335 /nfs/dbraw/zinc/01/93/35/191019335.db2.gz HNMMXQKACPECIN-CQSZACIVSA-N 1 1 303.324 2.331 50 0 DEAAMO OCCC[N@H+]1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071746092 191019338 /nfs/dbraw/zinc/01/93/38/191019338.db2.gz HNMMXQKACPECIN-CQSZACIVSA-N 1 1 303.324 2.331 50 0 DEAAMO CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC[N@H+]1CC1CC1 ZINC000071747485 191020945 /nfs/dbraw/zinc/02/09/45/191020945.db2.gz UQSGSYFCYFFAIV-MRXNPFEDSA-N 1 1 304.438 2.003 50 0 DEAAMO Cc1cc(C2CCC2)nc(NCC[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000071751150 191022385 /nfs/dbraw/zinc/02/23/85/191022385.db2.gz KFCNMYPERLRFNW-CQSZACIVSA-N 1 1 304.438 2.169 50 0 DEAAMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)ccc1N1CCCC1=O ZINC000072117627 191039141 /nfs/dbraw/zinc/03/91/41/191039141.db2.gz KLGJSSRMYXYIAC-CQSZACIVSA-N 1 1 315.417 2.402 50 0 DEAAMO CC1=C(CC[N@H+]2CCN[C@@H](C(=O)NC3CC3)C2)C(C)(C)CCC1 ZINC000072127352 191043214 /nfs/dbraw/zinc/04/32/14/191043214.db2.gz PFBOQSBGNNBCPA-QGZVFWFLSA-N 1 1 319.493 2.456 50 0 DEAAMO OCC[N@@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000143145331 186033626 /nfs/dbraw/zinc/03/36/26/186033626.db2.gz SXSMGDYLYXCGAL-AWEZNQCLSA-N 1 1 303.324 2.443 50 0 DEAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000072270723 191094027 /nfs/dbraw/zinc/09/40/27/191094027.db2.gz GDZRBATUZLPEHQ-CYBMUJFWSA-N 1 1 318.446 2.275 50 0 DEAAMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000072270723 191094029 /nfs/dbraw/zinc/09/40/29/191094029.db2.gz GDZRBATUZLPEHQ-CYBMUJFWSA-N 1 1 318.446 2.275 50 0 DEAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCC(C)CC2)cc1O ZINC000072308235 191118494 /nfs/dbraw/zinc/11/84/94/191118494.db2.gz NVCJDYWFVKHRAX-CQSZACIVSA-N 1 1 320.433 2.480 50 0 DEAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC(C)CC2)cc1O ZINC000072308235 191118496 /nfs/dbraw/zinc/11/84/96/191118496.db2.gz NVCJDYWFVKHRAX-CQSZACIVSA-N 1 1 320.433 2.480 50 0 DEAAMO Cc1nn(C)c2nc(C)nc(NCC[N@@H+]3CCC[C@@H](C)C3)c12 ZINC000072426152 191159486 /nfs/dbraw/zinc/15/94/86/191159486.db2.gz JJMSOOBUSXGFGC-LLVKDONJSA-N 1 1 302.426 2.124 50 0 DEAAMO CCCc1cnc(C)nc1N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000072436183 191166107 /nfs/dbraw/zinc/16/61/07/191166107.db2.gz AQEHGAHGZDGXTC-QGZVFWFLSA-N 1 1 320.481 2.267 50 0 DEAAMO COc1ccc(/C=C/C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072480361 191181682 /nfs/dbraw/zinc/18/16/82/191181682.db2.gz YJFBHEPHEPYPDM-IDOMTICXSA-N 1 1 302.374 2.235 50 0 DEAAMO CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C2)o1 ZINC000299754309 539859885 /nfs/dbraw/zinc/85/98/85/539859885.db2.gz FITNJPKFGSNOPV-HUUCEWRRSA-N 1 1 307.438 2.483 50 0 DEAAMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000072636317 191206345 /nfs/dbraw/zinc/20/63/45/191206345.db2.gz BYQRMHYBWPXBMY-CQSZACIVSA-N 1 1 306.406 2.118 50 0 DEAAMO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCCCC2)C1=O ZINC000003324937 181005354 /nfs/dbraw/zinc/00/53/54/181005354.db2.gz ODGUEZJYWTUGOJ-ZDUSSCGKSA-N 1 1 322.792 2.466 50 0 DEAAMO O=C1CC[N@@H+]([C@H]2CCSC2)CCN1Cc1cccc(F)c1 ZINC000011983274 354023533 /nfs/dbraw/zinc/02/35/33/354023533.db2.gz LONYVJWWGGUXTM-HNNXBMFYSA-N 1 1 308.422 2.366 50 0 DEAAMO C[N@H+]1CCC[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C1 ZINC000065818842 354691594 /nfs/dbraw/zinc/69/15/94/354691594.db2.gz WAJSUPHLKKOMGC-LBPRGKRZSA-N 1 1 317.418 2.421 50 0 DEAAMO Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@@H+]2CC(C)C)c(=O)[nH]1 ZINC000075122933 355070246 /nfs/dbraw/zinc/07/02/46/355070246.db2.gz YOYOZCUSVXOUBQ-MRXNPFEDSA-N 1 1 319.449 2.118 50 0 DEAAMO CN(C)c1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000078822076 355280255 /nfs/dbraw/zinc/28/02/55/355280255.db2.gz IKTFXMVTWFQHGL-AWEZNQCLSA-N 1 1 302.422 2.453 50 0 DEAAMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn[nH]2)[C@H]1c1cccs1 ZINC000110619611 355743148 /nfs/dbraw/zinc/74/31/48/355743148.db2.gz USPNYDKQFHOGAP-RISCZKNCSA-N 1 1 304.419 2.284 50 0 DEAAMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110709950 355745258 /nfs/dbraw/zinc/74/52/58/355745258.db2.gz LAENHQULVLWBOP-UKRRQHHQSA-N 1 1 314.788 2.111 50 0 DEAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110709950 355745260 /nfs/dbraw/zinc/74/52/60/355745260.db2.gz LAENHQULVLWBOP-UKRRQHHQSA-N 1 1 314.788 2.111 50 0 DEAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+]([C@H](C)c3cccnc3)C2)no1 ZINC000108087051 355731377 /nfs/dbraw/zinc/73/13/77/355731377.db2.gz XMEVWTMKYQGCME-IUODEOHRSA-N 1 1 301.394 2.040 50 0 DEAAMO COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000285069071 356370209 /nfs/dbraw/zinc/37/02/09/356370209.db2.gz PAANBGQHRIUXLJ-WDEREUQCSA-N 1 1 319.327 2.348 50 0 DEAAMO CC[N@@H+]1CCN(C(=O)c2cccc3c2CCC3=O)CC1(C)C ZINC000584886248 357324951 /nfs/dbraw/zinc/32/49/51/357324951.db2.gz QALSFYJXLAKGMP-UHFFFAOYSA-N 1 1 300.402 2.372 50 0 DEAAMO CC[N@H+]1CCN(C(=O)c2cccc3c2CCC3=O)CC1(C)C ZINC000584886248 357324953 /nfs/dbraw/zinc/32/49/53/357324953.db2.gz QALSFYJXLAKGMP-UHFFFAOYSA-N 1 1 300.402 2.372 50 0 DEAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1n1cnc2c(Cl)cccc2c1=O ZINC000584887588 357326308 /nfs/dbraw/zinc/32/63/08/357326308.db2.gz TWXWFQSNGWKRLS-KBPBESRZSA-N 1 1 321.808 2.332 50 0 DEAAMO CCn1ccnc1CN(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000584894347 357329077 /nfs/dbraw/zinc/32/90/77/357329077.db2.gz SJVVLLACDIJWSJ-CQSZACIVSA-N 1 1 321.469 2.165 50 0 DEAAMO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3nc(C)[nH]c3c2)C1 ZINC000584897610 357329711 /nfs/dbraw/zinc/32/97/11/357329711.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 1 1 302.378 2.192 50 0 DEAAMO C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)c2ncnn21 ZINC000585134871 357336256 /nfs/dbraw/zinc/33/62/56/357336256.db2.gz NJWFZFDXUZRMRQ-HZSPNIEDSA-N 1 1 301.394 2.304 50 0 DEAAMO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)c2ncnn21 ZINC000585134871 357336260 /nfs/dbraw/zinc/33/62/60/357336260.db2.gz NJWFZFDXUZRMRQ-HZSPNIEDSA-N 1 1 301.394 2.304 50 0 DEAAMO O=C(NCCc1ccc(-c2ccccc2)cc1)[C@@H]1COCC[NH2+]1 ZINC000237895843 202383383 /nfs/dbraw/zinc/38/33/83/202383383.db2.gz ZGYHQUCUGURSNO-SFHVURJKSA-N 1 1 310.397 2.001 50 0 DEAAMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccco1 ZINC000188833104 200310103 /nfs/dbraw/zinc/31/01/03/200310103.db2.gz VDENVZJNBNOREB-ZFWWWQNUSA-N 1 1 320.414 2.078 50 0 DEAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccco1 ZINC000188833104 200310104 /nfs/dbraw/zinc/31/01/04/200310104.db2.gz VDENVZJNBNOREB-ZFWWWQNUSA-N 1 1 320.414 2.078 50 0 DEAAMO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000189037396 200339387 /nfs/dbraw/zinc/33/93/87/200339387.db2.gz GWXCJMYSEZSAES-KRWDZBQOSA-N 1 1 303.406 2.136 50 0 DEAAMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000189037396 200339389 /nfs/dbraw/zinc/33/93/89/200339389.db2.gz GWXCJMYSEZSAES-KRWDZBQOSA-N 1 1 303.406 2.136 50 0 DEAAMO COCCn1ccnc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000670435036 540932774 /nfs/dbraw/zinc/93/27/74/540932774.db2.gz PHLQMZKHQVOHKG-UHFFFAOYSA-N 1 1 314.433 2.379 50 0 DEAAMO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000670435001 540932806 /nfs/dbraw/zinc/93/28/06/540932806.db2.gz PPKYYDAMQKMHAM-AWEZNQCLSA-N 1 1 316.854 2.269 50 0 DEAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(=O)[nH]1 ZINC000670433900 540932829 /nfs/dbraw/zinc/93/28/29/540932829.db2.gz JBCNPRIZHXIXSL-LBPRGKRZSA-N 1 1 317.414 2.243 50 0 DEAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000670448184 540935129 /nfs/dbraw/zinc/93/51/29/540935129.db2.gz IYBYGLOKULTLLH-HIFRSBDPSA-N 1 1 306.381 2.195 50 0 DEAAMO C[C@@H](c1ncnn1-c1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000670456431 540936347 /nfs/dbraw/zinc/93/63/47/540936347.db2.gz HOYGSLNOEDZVHN-AWEZNQCLSA-N 1 1 311.433 2.064 50 0 DEAAMO O[C@H]1CCC[N@@H+](CCCNc2cc(C(F)(F)F)ccn2)C1 ZINC000670458219 540937017 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1090698983 /nfs/dbraw/zinc/69/89/83/1090698983.db2.gz TZXNFZMCXBMGCT-QGZVFWFLSA-N 1 1 322.474 2.153 50 0 DEAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNS(=O)(=O)CC1CCCC1 ZINC000823806417 1090698986 /nfs/dbraw/zinc/69/89/86/1090698986.db2.gz TZXNFZMCXBMGCT-QGZVFWFLSA-N 1 1 322.474 2.153 50 0 DEAAMO CNC(=O)c1cccc(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000823836543 1090703113 /nfs/dbraw/zinc/70/31/13/1090703113.db2.gz BHMLHBMBHPCKMY-DZGCQCFKSA-N 1 1 302.422 2.118 50 0 DEAAMO C[C@H](c1cccnc1)N(C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000076981085 185062856 /nfs/dbraw/zinc/06/28/56/185062856.db2.gz CBTYAHNGNQOIGX-CZUORRHYSA-N 1 1 302.422 2.268 50 0 DEAAMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000081818485 192328125 /nfs/dbraw/zinc/32/81/25/192328125.db2.gz CGOFNMXLHUOTKZ-WBVHZDCISA-N 1 1 308.422 2.095 50 0 DEAAMO C[NH+]1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000096622034 185384534 /nfs/dbraw/zinc/38/45/34/185384534.db2.gz UNHCRFSSNIPMEY-UHFFFAOYSA-N 1 1 311.223 2.156 50 0 DEAAMO CC(C)=CC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000079035323 185147828 /nfs/dbraw/zinc/14/78/28/185147828.db2.gz IKSYDDPRQGXLMR-GOSISDBHSA-N 1 1 313.445 2.376 50 0 DEAAMO C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996918 185275563 /nfs/dbraw/zinc/27/55/63/185275563.db2.gz MCTPQFLEWGJXQM-OCCSQVGLSA-N 1 1 304.781 2.238 50 0 DEAAMO C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996918 185275564 /nfs/dbraw/zinc/27/55/64/185275564.db2.gz MCTPQFLEWGJXQM-OCCSQVGLSA-N 1 1 304.781 2.238 50 0 DEAAMO C[C@H]1CCC[N@H+]1C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000090137966 185283550 /nfs/dbraw/zinc/28/35/50/185283550.db2.gz XOMLSEMLTAOEGE-LBPRGKRZSA-N 1 1 312.421 2.060 50 0 DEAAMO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000095405133 185355648 /nfs/dbraw/zinc/35/56/48/185355648.db2.gz QCZMWLYVFZPASW-LJQANCHMSA-N 1 1 322.408 2.249 50 0 DEAAMO CC(C)OC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095434916 185364461 /nfs/dbraw/zinc/36/44/61/185364461.db2.gz KCULTCVYKHXGEX-FHERZECASA-N 1 1 311.470 2.364 50 0 DEAAMO C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000095448750 185368443 /nfs/dbraw/zinc/36/84/43/185368443.db2.gz ZNYBWBYKRPGUCO-LZWOXQAQSA-N 1 1 309.454 2.260 50 0 DEAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103266651 185442540 /nfs/dbraw/zinc/44/25/40/185442540.db2.gz MMHNWDDVYLCXAQ-XWLWVQCSSA-N 1 1 323.466 2.063 50 0 DEAAMO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@H]1CCCO1 ZINC000241466188 529962334 /nfs/dbraw/zinc/96/23/34/529962334.db2.gz NVIGZZYRBSCWAG-HUUCEWRRSA-N 1 1 310.463 2.232 50 0 DEAAMO CC(C)[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000084597488 539396681 /nfs/dbraw/zinc/39/66/81/539396681.db2.gz KADANQGNGMSPQE-HNNXBMFYSA-N 1 1 311.470 2.412 50 0 DEAAMO O=C(CNc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229187218 201825369 /nfs/dbraw/zinc/82/53/69/201825369.db2.gz LLKUZCIYKZJUPK-CABCVRRESA-N 1 1 307.825 2.495 50 0 DEAAMO C[N@@H+](Cc1cnc(C2CCCCC2)nc1)C[C@@H]1COCCO1 ZINC000215105439 539725652 /nfs/dbraw/zinc/72/56/52/539725652.db2.gz HEKGTBHNDAHJCC-MRXNPFEDSA-N 1 1 305.422 2.372 50 0 DEAAMO C[N@H+](Cc1cnc(C2CCCCC2)nc1)C[C@@H]1COCCO1 ZINC000215105439 539725656 /nfs/dbraw/zinc/72/56/56/539725656.db2.gz HEKGTBHNDAHJCC-MRXNPFEDSA-N 1 1 305.422 2.372 50 0 DEAAMO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000072150494 191056325 /nfs/dbraw/zinc/05/63/25/191056325.db2.gz BPUHXEBUHRVNDP-QGZVFWFLSA-N 1 1 323.506 2.301 50 0 DEAAMO OC[C@@H]1CCCC[N@H+]1CCNc1cc(Cl)c2cc[nH]c2n1 ZINC000072154598 191058646 /nfs/dbraw/zinc/05/86/46/191058646.db2.gz PSGBRKSWQUMPCP-NSHDSACASA-N 1 1 308.813 2.475 50 0 DEAAMO COc1ccccc1C[NH+]1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072174230 191070676 /nfs/dbraw/zinc/07/06/76/191070676.db2.gz CWSUMCLMIDGJMX-OAHLLOKOSA-N 1 1 318.417 2.066 50 0 DEAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072270752 191094124 /nfs/dbraw/zinc/09/41/24/191094124.db2.gz OSMHOQLUYZLEON-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072270752 191094126 /nfs/dbraw/zinc/09/41/26/191094126.db2.gz OSMHOQLUYZLEON-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO CC[C@@H]1CN(Cc2nc3ccccc3o2)CC[N@H+]1C[C@@H](C)O ZINC000072279703 191100167 /nfs/dbraw/zinc/10/01/67/191100167.db2.gz IVUWYJMOZCXOFV-ZIAGYGMSSA-N 1 1 303.406 2.105 50 0 DEAAMO COC(=O)[C@H](C)C[N@@H+](Cc1cncn1C)Cc1ccccc1 ZINC000072312076 191119225 /nfs/dbraw/zinc/11/92/25/191119225.db2.gz HUUIUNQJLWAXMW-CQSZACIVSA-N 1 1 301.390 2.231 50 0 DEAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000000090014 180689478 /nfs/dbraw/zinc/68/94/78/180689478.db2.gz ZJGXDWHDMUTXSH-UHFFFAOYSA-N 1 1 321.446 2.006 50 0 DEAAMO C[N@@H+]1C[C@H]2CN(c3cc(-c4ccccc4)nc4ccnn43)C[C@H]2C1 ZINC000072428241 191160926 /nfs/dbraw/zinc/16/09/26/191160926.db2.gz MCQAPDJGELHCHN-IYBDPMFKSA-N 1 1 319.412 2.394 50 0 DEAAMO O=C(CCCn1cccn1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000299754342 539860003 /nfs/dbraw/zinc/86/00/03/539860003.db2.gz BHQWQTOOBSZEJI-HOTGVXAUSA-N 1 1 304.438 2.044 50 0 biogenic DEAAMO CC(C)CNC(=O)C[N@@H+](C)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666803 191211741 /nfs/dbraw/zinc/21/17/41/191211741.db2.gz XZYDMZLSGPIQTR-UHFFFAOYSA-N 1 1 321.440 2.499 50 0 DEAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2)C1 ZINC000004978462 353993715 /nfs/dbraw/zinc/99/37/15/353993715.db2.gz NCHZHXSMIGSILB-OAHLLOKOSA-N 1 1 320.433 2.481 50 0 DEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C)C1 ZINC000004248007 181088062 /nfs/dbraw/zinc/08/80/62/181088062.db2.gz IKTWWBOPIQJMLJ-CVEARBPZSA-N 1 1 321.417 2.010 50 0 DEAAMO COc1cccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccccc3)C2=O)c1 ZINC000004713996 181140806 /nfs/dbraw/zinc/14/08/06/181140806.db2.gz YTRWMZZEXGUEGD-KRWDZBQOSA-N 1 1 324.380 2.459 50 0 DEAAMO COc1cccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccccc3)C2=O)c1 ZINC000004713996 181140809 /nfs/dbraw/zinc/14/08/09/181140809.db2.gz YTRWMZZEXGUEGD-KRWDZBQOSA-N 1 1 324.380 2.459 50 0 DEAAMO Clc1ccc2nc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)cn2c1 ZINC000069697900 354873292 /nfs/dbraw/zinc/87/32/92/354873292.db2.gz JXBOAFFWCVDNHV-CQSZACIVSA-N 1 1 316.796 2.244 50 0 DEAAMO Clc1ccc2nc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cn2c1 ZINC000069697900 354873295 /nfs/dbraw/zinc/87/32/95/354873295.db2.gz JXBOAFFWCVDNHV-CQSZACIVSA-N 1 1 316.796 2.244 50 0 DEAAMO Cc1cccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)c1 ZINC000004894153 181169728 /nfs/dbraw/zinc/16/97/28/181169728.db2.gz GOXIZXKPMJKIFH-VIFPVBQESA-N 1 1 303.391 2.069 50 0 DEAAMO C[C@@H]1CCSCCN1C[C@@H](O)C[N@H+]1CCSCC[C@@H]1C ZINC000390834607 540135441 /nfs/dbraw/zinc/13/54/41/540135441.db2.gz IBBJUSIRPKMSKD-QDMKHBRRSA-N 1 1 318.552 2.002 50 0 DEAAMO COc1cc[nH+]c(N2CCN(Cc3csc(C)n3)CC2)c1 ZINC000076018110 191553505 /nfs/dbraw/zinc/55/35/05/191553505.db2.gz XLFNZMJNFQKWSG-UHFFFAOYSA-N 1 1 304.419 2.177 50 0 DEAAMO Cc1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C)c3cccnc3)C2)no1 ZINC000095402249 355696887 /nfs/dbraw/zinc/69/68/87/355696887.db2.gz XMEVWTMKYQGCME-WFASDCNBSA-N 1 1 301.394 2.040 50 0 DEAAMO COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000106661331 355724325 /nfs/dbraw/zinc/72/43/25/355724325.db2.gz ALSHSQZXEMQYNU-DLBZAZTESA-N 1 1 318.417 2.403 50 0 DEAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)c2ccco2)C1 ZINC000169751640 355980149 /nfs/dbraw/zinc/98/01/49/355980149.db2.gz GRNYAEDTJQDEBO-ZDUSSCGKSA-N 1 1 303.362 2.279 50 0 DEAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)c2ccco2)C1 ZINC000169751640 355980155 /nfs/dbraw/zinc/98/01/55/355980155.db2.gz GRNYAEDTJQDEBO-ZDUSSCGKSA-N 1 1 303.362 2.279 50 0 DEAAMO CC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1ccccc1OC ZINC000170129127 355986035 /nfs/dbraw/zinc/98/60/35/355986035.db2.gz FGUXCCHSRLYAKX-HNNXBMFYSA-N 1 1 320.433 2.455 50 0 DEAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(C)(C)F)cc2)CC1 ZINC000195551633 356256118 /nfs/dbraw/zinc/25/61/18/356256118.db2.gz MJKSGAGPCOZTHK-UHFFFAOYSA-N 1 1 321.396 2.037 50 0 DEAAMO CC(=O)N(C)CCc1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000350591249 356547892 /nfs/dbraw/zinc/54/78/92/356547892.db2.gz WHNGVVVLJAVUAZ-AWEZNQCLSA-N 1 1 306.410 2.170 50 0 DEAAMO Cc1[nH+]ccn1-c1ccccc1Cn1cnc2ncccc2c1=O ZINC000584893643 357327643 /nfs/dbraw/zinc/32/76/43/357327643.db2.gz REGORXZPHXACSA-UHFFFAOYSA-N 1 1 317.352 2.334 50 0 DEAAMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)C1 ZINC000584896120 357328811 /nfs/dbraw/zinc/32/88/11/357328811.db2.gz NRQSGUUXZIBJJT-GFCCVEGCSA-N 1 1 302.378 2.192 50 0 DEAAMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237433112 202264453 /nfs/dbraw/zinc/26/44/53/202264453.db2.gz RRSKRWJWRJRGCQ-QAPCUYQASA-N 1 1 311.429 2.151 50 0 DEAAMO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccn1 ZINC000237433112 202264455 /nfs/dbraw/zinc/26/44/55/202264455.db2.gz RRSKRWJWRJRGCQ-QAPCUYQASA-N 1 1 311.429 2.151 50 0 DEAAMO C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)[C@H]1C[NH3+] ZINC000237430037 202264352 /nfs/dbraw/zinc/26/43/52/202264352.db2.gz NKUHRIJPJKYWSE-MFKMUULPSA-N 1 1 304.419 2.338 50 0 DEAAMO COc1cccc([C@H]2CC[N@@H+](CCc3nccn3C)C2)c1OC ZINC000670446514 540934610 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318.417 2.337 50 0 DEAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000040540616 183097175 /nfs/dbraw/zinc/09/71/75/183097175.db2.gz SDWPUNGMJYOEHK-JSGCOSHPSA-N 1 1 320.437 2.492 50 0 DEAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000040540616 183097177 /nfs/dbraw/zinc/09/71/77/183097177.db2.gz SDWPUNGMJYOEHK-JSGCOSHPSA-N 1 1 320.437 2.492 50 0 DEAAMO NC(=O)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000040540099 183097497 /nfs/dbraw/zinc/09/74/97/183097497.db2.gz JYQHABKVHNNWQI-UHFFFAOYSA-N 1 1 303.225 2.208 50 0 DEAAMO Cc1noc(C)c1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000043137842 183340372 /nfs/dbraw/zinc/34/03/72/183340372.db2.gz VZZOXXWBZQKYCG-CQSZACIVSA-N 1 1 320.393 2.329 50 0 DEAAMO NC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000055870683 183999234 /nfs/dbraw/zinc/99/92/34/183999234.db2.gz LPKGSAFVKMGMRZ-HNNXBMFYSA-N 1 1 317.776 2.214 50 0 DEAAMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000058213714 184088611 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C[C@@H](Cn1cncn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000065387934 184333909 /nfs/dbraw/zinc/33/39/09/184333909.db2.gz OBPKXLHCPDLUQS-INIZCTEOSA-N 1 1 305.470 2.445 50 0 DEAAMO CC(=O)NC1CCN(CC2=CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000065394590 184334704 /nfs/dbraw/zinc/33/47/04/184334704.db2.gz URXOSSAYPFNGHO-LJQANCHMSA-N 1 1 317.477 2.328 50 0 DEAAMO CCc1nnc(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)s1 ZINC000065405568 184337953 /nfs/dbraw/zinc/33/79/53/184337953.db2.gz OVEGOBWFQJIVSN-OAHLLOKOSA-N 1 1 318.446 2.328 50 0 DEAAMO CCc1[nH]c(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000065528416 184360489 /nfs/dbraw/zinc/36/04/89/184360489.db2.gz HEKJUJXJZSLGLE-INIZCTEOSA-N 1 1 316.380 2.093 50 0 DEAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](c1nccn1C)C(C)C ZINC000065595540 184370803 /nfs/dbraw/zinc/37/08/03/184370803.db2.gz UYINLTRBEMDTHW-AWEZNQCLSA-N 1 1 304.442 2.015 50 0 DEAAMO O=c1[nH]c(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nc2ccccc21 ZINC000065606267 184371799 /nfs/dbraw/zinc/37/17/99/184371799.db2.gz 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Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]3Cn3cncn3)n2)c1 ZINC000069512606 402227846 /nfs/dbraw/zinc/22/78/46/402227846.db2.gz YRXRSYVSVLINDT-HNNXBMFYSA-N 1 1 324.388 2.301 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1nc(C)no1 ZINC000069528716 402229346 /nfs/dbraw/zinc/22/93/46/402229346.db2.gz IDBSUNFKKJUXIC-CABCVRRESA-N 1 1 320.437 2.176 50 0 DEAAMO O=C(CNc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069535268 402229667 /nfs/dbraw/zinc/22/96/67/402229667.db2.gz LLKUZCIYKZJUPK-HUUCEWRRSA-N 1 1 307.825 2.495 50 0 DEAAMO CNc1snc(C)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069560315 402231121 /nfs/dbraw/zinc/23/11/21/402231121.db2.gz LLOYFPBPHHXCSR-RYUDHWBXSA-N 1 1 308.451 2.192 50 0 DEAAMO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc(O)c1)c1ccco1 ZINC000069587811 402232972 /nfs/dbraw/zinc/23/29/72/402232972.db2.gz VMLOUTDGZRZJNS-HNNXBMFYSA-N 1 1 317.389 2.130 50 0 DEAAMO COC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000069632331 402235699 /nfs/dbraw/zinc/23/56/99/402235699.db2.gz 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402248073 /nfs/dbraw/zinc/24/80/73/402248073.db2.gz WKIOYHZZECTFPD-CYBMUJFWSA-N 1 1 303.410 2.476 50 0 DEAAMO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000069870832 402248077 /nfs/dbraw/zinc/24/80/77/402248077.db2.gz WKIOYHZZECTFPD-CYBMUJFWSA-N 1 1 303.410 2.476 50 0 DEAAMO CCc1nnsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC000069895025 402249543 /nfs/dbraw/zinc/24/95/43/402249543.db2.gz URLQUPNHIWCSBF-CHWSQXEVSA-N 1 1 308.451 2.189 50 0 DEAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCn2cccn2)C1 ZINC000069900942 402250596 /nfs/dbraw/zinc/25/05/96/402250596.db2.gz FUZVBPAIDXPWKN-OAHLLOKOSA-N 1 1 301.394 2.032 50 0 DEAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000070008084 402254158 /nfs/dbraw/zinc/25/41/58/402254158.db2.gz RNJJNFADFTYVOP-HNNXBMFYSA-N 1 1 316.401 2.270 50 0 DEAAMO CCOCC[N@H+]1CCN(CCOc2ccccc2F)C[C@@H]1C ZINC000070016766 402254819 /nfs/dbraw/zinc/25/48/19/402254819.db2.gz AQCZTFLBZUUFJO-HNNXBMFYSA-N 1 1 310.413 2.247 50 0 DEAAMO CCc1oc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)cc1CN(CC)CC ZINC000071771557 402277452 /nfs/dbraw/zinc/27/74/52/402277452.db2.gz XDEYUDBFVVYNPF-ZIAGYGMSSA-N 1 1 307.438 2.293 50 0 DEAAMO C[N@@H+]1CCN(C(=O)Cc2cccc(O)c2)C[C@@H]1c1ccccc1 ZINC000214949867 402279824 /nfs/dbraw/zinc/27/98/24/402279824.db2.gz MSCIPFGDXQOVRA-GOSISDBHSA-N 1 1 310.397 2.450 50 0 DEAAMO C[N@H+]1CCN(C(=O)Cc2cccc(O)c2)C[C@@H]1c1ccccc1 ZINC000214949867 402279829 /nfs/dbraw/zinc/27/98/29/402279829.db2.gz MSCIPFGDXQOVRA-GOSISDBHSA-N 1 1 310.397 2.450 50 0 DEAAMO CCN(CC(=O)N[C@@H](C)c1nnc[nH]1)Cc1ccccc1Cl ZINC000225806235 402324395 /nfs/dbraw/zinc/32/43/95/402324395.db2.gz RDUWABBWLWJAJX-NSHDSACASA-N 1 1 321.812 2.157 50 0 DEAAMO CC(C)n1cncc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC000215994188 402286375 /nfs/dbraw/zinc/28/63/75/402286375.db2.gz JNQYTBRDNJCYSG-UHFFFAOYSA-N 1 1 301.394 2.297 50 0 DEAAMO c1cn(CCCN(Cc2ccncc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000216163694 402286507 /nfs/dbraw/zinc/28/65/07/402286507.db2.gz UVXYBJJKXHTIDO-GOSISDBHSA-N 1 1 313.449 2.170 50 0 DEAAMO Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000219176094 402297847 /nfs/dbraw/zinc/29/78/47/402297847.db2.gz ZWJUYHSWRNQSBN-HNNXBMFYSA-N 1 1 314.389 2.001 50 0 DEAAMO COc1ccc(F)c(F)c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000220310652 402301520 /nfs/dbraw/zinc/30/15/20/402301520.db2.gz JGBMNNYLNSLACD-NSHDSACASA-N 1 1 312.360 2.434 50 0 DEAAMO CCc1[nH+]ccn1CCNC(=O)Cc1ccc(O)c(Cl)c1 ZINC000222499786 402307101 /nfs/dbraw/zinc/30/71/01/402307101.db2.gz PKQOQZYFZWAFPT-UHFFFAOYSA-N 1 1 307.781 2.163 50 0 DEAAMO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1COCC[NH2+]1 ZINC000225451217 402317677 /nfs/dbraw/zinc/31/76/77/402317677.db2.gz RSKKACQFVVEDNC-LJQANCHMSA-N 1 1 324.424 2.313 50 0 DEAAMO CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000225515952 402319707 /nfs/dbraw/zinc/31/97/07/402319707.db2.gz ZWFYFNCLOWETTA-NSHDSACASA-N 1 1 309.373 2.050 50 0 DEAAMO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000229156767 402341122 /nfs/dbraw/zinc/34/11/22/402341122.db2.gz ZNPCTJIEZURZKN-NVXWUHKLSA-N 1 1 320.408 2.333 50 0 DEAAMO Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)n1 ZINC000229201234 402341268 /nfs/dbraw/zinc/34/12/68/402341268.db2.gz GNBIEGZOLGINSN-DZGCQCFKSA-N 1 1 320.437 2.410 50 0 DEAAMO Cc1noc([C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)n1 ZINC000229201234 402341269 /nfs/dbraw/zinc/34/12/69/402341269.db2.gz GNBIEGZOLGINSN-DZGCQCFKSA-N 1 1 320.437 2.410 50 0 DEAAMO C[C@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229576352 402344097 /nfs/dbraw/zinc/34/40/97/402344097.db2.gz CWDSHDMREBVEBU-DCQANWLSSA-N 1 1 323.264 2.184 50 0 DEAAMO C[C@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229576352 402344099 /nfs/dbraw/zinc/34/40/99/402344099.db2.gz CWDSHDMREBVEBU-DCQANWLSSA-N 1 1 323.264 2.184 50 0 DEAAMO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CSC[NH2+]3)C2)cc1 ZINC000237296826 402402897 /nfs/dbraw/zinc/40/28/97/402402897.db2.gz OOYZJFIWMDNLNQ-NJZAAPMLSA-N 1 1 306.431 2.062 50 0 DEAAMO c1cc([C@H]2CCC[N@@H+](Cc3nc(-c4ccncc4)no3)C2)n[nH]1 ZINC000243957140 402446918 /nfs/dbraw/zinc/44/69/18/402446918.db2.gz CGLTVNJIXRPHBW-ZDUSSCGKSA-N 1 1 310.361 2.234 50 0 DEAAMO c1cc([C@H]2CCC[N@H+](Cc3nc(-c4ccncc4)no3)C2)n[nH]1 ZINC000243957140 402446921 /nfs/dbraw/zinc/44/69/21/402446921.db2.gz CGLTVNJIXRPHBW-ZDUSSCGKSA-N 1 1 310.361 2.234 50 0 DEAAMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)NCCc1ccccc1 ZINC000244673680 402448075 /nfs/dbraw/zinc/44/80/75/402448075.db2.gz HTTDCANDSVCIFJ-UHFFFAOYSA-N 1 1 316.445 2.238 50 0 DEAAMO C[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247050352 402554933 /nfs/dbraw/zinc/55/49/33/402554933.db2.gz FGOZVXDCHMYNIL-DLBZAZTESA-N 1 1 312.417 2.111 50 0 DEAAMO CC1(C)COCC[N@@H+]1CCNc1ncnc2ccc(F)cc21 ZINC000170869395 402535857 /nfs/dbraw/zinc/53/58/57/402535857.db2.gz CDVIVHKEDVPSSR-UHFFFAOYSA-N 1 1 304.369 2.292 50 0 DEAAMO CC1(C)COCC[N@H+]1CCNc1ncnc2ccc(F)cc21 ZINC000170869395 402535859 /nfs/dbraw/zinc/53/58/59/402535859.db2.gz CDVIVHKEDVPSSR-UHFFFAOYSA-N 1 1 304.369 2.292 50 0 DEAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000248161904 402584036 /nfs/dbraw/zinc/58/40/36/402584036.db2.gz YADORGGIZWKVLY-ZIAGYGMSSA-N 1 1 302.374 2.114 50 0 DEAAMO O=C(CCN1CCC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000247806500 402576333 /nfs/dbraw/zinc/57/63/33/402576333.db2.gz ZROVRYFZNSXCPF-KRWDZBQOSA-N 1 1 313.445 2.136 50 0 DEAAMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2cc(C)no2)C1 ZINC000252513180 402657745 /nfs/dbraw/zinc/65/77/45/402657745.db2.gz XWGCNHRLVWCTIJ-KBPBESRZSA-N 1 1 306.410 2.314 50 0 DEAAMO CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccco2)cc1 ZINC000261614179 402714507 /nfs/dbraw/zinc/71/45/07/402714507.db2.gz ASZWPQJILQAKGV-HNNXBMFYSA-N 1 1 320.414 2.177 50 0 DEAAMO CC(C)C[NH+]1CC[C@@H](c2nnc3n2CC[N@H+](CC(C)C)CC3)C1 ZINC000257187018 402701071 /nfs/dbraw/zinc/70/10/71/402701071.db2.gz LEMYCUWTCYFBDR-MRXNPFEDSA-N 1 1 319.497 2.238 50 0 DEAAMO O=C(NCCOCc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000195533325 402850716 /nfs/dbraw/zinc/85/07/16/402850716.db2.gz XKJAZWCPPASTPZ-IRXDYDNUSA-N 1 1 317.433 2.129 50 0 DEAAMO O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000270509957 403197198 /nfs/dbraw/zinc/19/71/98/403197198.db2.gz CSEQRCRNCPNYKA-KSZLIROESA-N 1 1 314.429 2.094 50 0 DEAAMO COCc1noc([C@@H](C)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000332098834 403482990 /nfs/dbraw/zinc/48/29/90/403482990.db2.gz PGGTZLNGUTZCFZ-GFCCVEGCSA-N 1 1 322.434 2.156 50 0 DEAAMO Cc1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1F ZINC000299771603 403570708 /nfs/dbraw/zinc/57/07/08/403570708.db2.gz RLBUWOIWXBXCJZ-CQSZACIVSA-N 1 1 309.385 2.102 50 0 DEAAMO CCc1[nH+]ccn1CCC(=O)NCc1nc2c(s1)CCCC2 ZINC000299782962 403573328 /nfs/dbraw/zinc/57/33/28/403573328.db2.gz NRNUAVHEIFUHSC-UHFFFAOYSA-N 1 1 318.446 2.487 50 0 DEAAMO CO[C@]12CC[N@@H+](Cc3nc(C)n4ccccc34)[C@H]1C[C@@H](O)CC2 ZINC000299792058 403577386 /nfs/dbraw/zinc/57/73/86/403577386.db2.gz DLZQTIKWHQIBEY-JCGIZDLHSA-N 1 1 315.417 2.147 50 0 DEAAMO 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CO[C@@H](C[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1)C1CCCCC1 ZINC000585094274 540256210 /nfs/dbraw/zinc/25/62/10/540256210.db2.gz ABZPJOIKIOBYTR-HOTGVXAUSA-N 1 1 322.453 2.262 50 0 DEAAMO Cn1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)nn1 ZINC000579959119 357058378 /nfs/dbraw/zinc/05/83/78/357058378.db2.gz ZNCSIJWRNGBGOC-AWEZNQCLSA-N 1 1 310.361 2.202 50 0 DEAAMO Cn1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)nn1 ZINC000579959119 357058382 /nfs/dbraw/zinc/05/83/82/357058382.db2.gz ZNCSIJWRNGBGOC-AWEZNQCLSA-N 1 1 310.361 2.202 50 0 DEAAMO C[NH+](C)[C@H](CNC(=O)N1CC(c2ccccn2)C1)c1ccco1 ZINC000584894009 357327903 /nfs/dbraw/zinc/32/79/03/357327903.db2.gz KKXULOHXBYORHL-OAHLLOKOSA-N 1 1 314.389 2.086 50 0 DEAAMO Cc1ccn(CCC(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)n1 ZINC000584902170 357331618 /nfs/dbraw/zinc/33/16/18/357331618.db2.gz LQOFXGNMYBGBMN-INIZCTEOSA-N 1 1 315.421 2.025 50 0 DEAAMO Cn1cnnc1C[N@H+](C)C1CCN(c2ccccc2F)CC1 ZINC000670455602 540936103 /nfs/dbraw/zinc/93/61/03/540936103.db2.gz IDLQOSQHHJRBEU-UHFFFAOYSA-N 1 1 303.385 2.055 50 0 DEAAMO Cn1cnnc1C[N@@H+](C)C1CCN(c2ccccc2F)CC1 ZINC000670455602 540936106 /nfs/dbraw/zinc/93/61/06/540936106.db2.gz IDLQOSQHHJRBEU-UHFFFAOYSA-N 1 1 303.385 2.055 50 0 DEAAMO Cc1nc(C[N@@H+](C)C[C@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1C ZINC000670467132 540937866 /nfs/dbraw/zinc/93/78/66/540937866.db2.gz IAGLTFGDCPAMRY-CQSZACIVSA-N 1 1 306.454 2.116 50 0 DEAAMO Cc1cc(Cl)ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000194027831 201165846 /nfs/dbraw/zinc/16/58/46/201165846.db2.gz HXIRNOVNBUFSNG-CHWSQXEVSA-N 1 1 310.825 2.176 50 0 DEAAMO Cc1cc(Cl)ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000194027831 201165850 /nfs/dbraw/zinc/16/58/50/201165850.db2.gz HXIRNOVNBUFSNG-CHWSQXEVSA-N 1 1 310.825 2.176 50 0 DEAAMO COc1ccc([C@@H]2C[N@@H+](CC3CCC3)C[C@H]2NC(C)=O)cc1 ZINC000091595435 193077976 /nfs/dbraw/zinc/07/79/76/193077976.db2.gz NTPNPFQBDXTCDE-ZWKOTPCHSA-N 1 1 302.418 2.399 50 0 DEAAMO NC(=O)C[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675347 193089441 /nfs/dbraw/zinc/08/94/41/193089441.db2.gz ZWBQPKWCNLLIGI-LLVKDONJSA-N 1 1 314.788 2.445 50 0 DEAAMO Cc1cnn(CCCNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c1 ZINC000091625981 193081521 /nfs/dbraw/zinc/08/15/21/193081521.db2.gz KFBCNOYUCPIYDU-KRWDZBQOSA-N 1 1 314.433 2.309 50 0 DEAAMO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC2(CCC2)CC1 ZINC000367452246 296109558 /nfs/dbraw/zinc/10/95/58/296109558.db2.gz XYRGJMPKVSMQPV-MRXNPFEDSA-N 1 1 306.450 2.423 50 0 DEAAMO O=C(NCc1cccnn1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000241588329 284009995 /nfs/dbraw/zinc/00/99/95/284009995.db2.gz PBZROAWIVUSZOV-MRXNPFEDSA-N 1 1 317.437 2.073 50 0 DEAAMO C[C@](N)(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261856381 203136548 /nfs/dbraw/zinc/13/65/48/203136548.db2.gz VWPHDTFMORTIEL-IMFGXOCKSA-N 1 1 323.440 2.061 50 0 DEAAMO O[C@H]1C[C@H](C2CCCCC2)[N@@H+](Cc2cnc3cnccn23)C1 ZINC000093439109 193253224 /nfs/dbraw/zinc/25/32/24/193253224.db2.gz SGTRBUHGWVKVNI-JKSUJKDBSA-N 1 1 300.406 2.245 50 0 DEAAMO O=C(NCc1ccccc1F)c1cc(C[NH+]2CCCC2)on1 ZINC000009722008 181637930 /nfs/dbraw/zinc/63/79/30/181637930.db2.gz ANELYQFEOKCROJ-UHFFFAOYSA-N 1 1 303.337 2.340 50 0 DEAAMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000097374021 193712274 /nfs/dbraw/zinc/71/22/74/193712274.db2.gz YQFWICNHONASNG-DZKIICNBSA-N 1 1 306.406 2.409 50 0 DEAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000016345290 182041594 /nfs/dbraw/zinc/04/15/94/182041594.db2.gz HFGGCMLBWQAEDF-CQSZACIVSA-N 1 1 319.449 2.053 50 0 DEAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000016345290 182041597 /nfs/dbraw/zinc/04/15/97/182041597.db2.gz HFGGCMLBWQAEDF-CQSZACIVSA-N 1 1 319.449 2.053 50 0 DEAAMO O=C(CC[NH+]1CCOCC1)Nc1cccc(Br)c1 ZINC000019811404 182152692 /nfs/dbraw/zinc/15/26/92/182152692.db2.gz MXIVEHFJKNUDOK-UHFFFAOYSA-N 1 1 313.195 2.110 50 0 DEAAMO O=C(c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000019902022 182162347 /nfs/dbraw/zinc/16/23/47/182162347.db2.gz FAMIATHAHAMEPV-KRWDZBQOSA-N 1 1 302.418 2.404 50 0 DEAAMO CN1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019889863 182160787 /nfs/dbraw/zinc/16/07/87/182160787.db2.gz NHOGMCBVRPZAFA-UHFFFAOYSA-N 1 1 301.478 2.331 50 0 DEAAMO CCCCc1ccc(NC(=S)N2CC[NH+](CCO)CC2)cc1 ZINC000020131008 182189981 /nfs/dbraw/zinc/18/99/81/182189981.db2.gz NNEVYDIKBLXAIF-UHFFFAOYSA-N 1 1 321.490 2.336 50 0 DEAAMO COc1ccc(CN2CC[N@H+](C3CCC3)C[C@@H]2CCO)cc1C ZINC000020201390 182196859 /nfs/dbraw/zinc/19/68/59/182196859.db2.gz PKKMOEPHICRAOU-SFHVURJKSA-N 1 1 318.461 2.425 50 0 DEAAMO CC[NH+]1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000020537040 182228908 /nfs/dbraw/zinc/22/89/08/182228908.db2.gz UUDSSVUZDUOGQA-UHFFFAOYSA-N 1 1 320.824 2.451 50 0 DEAAMO CC(=O)CCc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000020639770 182241504 /nfs/dbraw/zinc/24/15/04/182241504.db2.gz YKYDDBSXIXJCHT-UHFFFAOYSA-N 1 1 304.434 2.225 50 0 DEAAMO OCC[C@@H]1CN(Cc2ccon2)CC[N@H+]1CC1CCCCC1 ZINC000023358389 182357678 /nfs/dbraw/zinc/35/76/78/182357678.db2.gz LVSAAUPSMIQRIO-QGZVFWFLSA-N 1 1 307.438 2.124 50 0 DEAAMO O=C(CCc1ccsc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023624078 182364559 /nfs/dbraw/zinc/36/45/59/182364559.db2.gz FCXDIWOVRPITLA-HNNXBMFYSA-N 1 1 308.447 2.004 50 0 DEAAMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000024535714 182382595 /nfs/dbraw/zinc/38/25/95/182382595.db2.gz ZUAZUFPTKOUMFO-AWEZNQCLSA-N 1 1 300.362 2.379 50 0 DEAAMO Cc1csc2nc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc(=O)n12 ZINC000040539366 183096132 /nfs/dbraw/zinc/09/61/32/183096132.db2.gz HMMIOCRKHGQMQD-GFCCVEGCSA-N 1 1 319.430 2.065 50 0 DEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2nncs2)CC1 ZINC000043130857 183339806 /nfs/dbraw/zinc/33/98/06/183339806.db2.gz BJBYVNUCFXBKSW-UHFFFAOYSA-N 1 1 317.418 2.196 50 0 DEAAMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3nncs3)CC2)c1 ZINC000043137013 183340981 /nfs/dbraw/zinc/34/09/81/183340981.db2.gz DTGPFTSEFUUZSF-UHFFFAOYSA-N 1 1 317.418 2.196 50 0 DEAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)COCc2ccco2)on1 ZINC000106108412 194184775 /nfs/dbraw/zinc/18/47/75/194184775.db2.gz YWUBYYUQBPYHMN-UKRRQHHQSA-N 1 1 306.362 2.291 50 0 DEAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC000106578299 194232192 /nfs/dbraw/zinc/23/21/92/194232192.db2.gz AUIQXCSJPFLOBT-ZWNOBZJWSA-N 1 1 300.324 2.374 50 0 DEAAMO C[C@@H]1CCC[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000052493231 183861514 /nfs/dbraw/zinc/86/15/14/183861514.db2.gz KSTXSOXLLUPZEU-ZBFHGGJFSA-N 1 1 318.465 2.327 50 0 DEAAMO O=C(C[N@@H+]1CCC[C@H]1CCCO)N1CCC[C@H](C(F)(F)F)C1 ZINC000110620960 194343414 /nfs/dbraw/zinc/34/34/14/194343414.db2.gz PAUIMHAOTLDLHI-STQMWFEESA-N 1 1 322.371 2.024 50 0 DEAAMO O=C(COCc1ccccc1Cl)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058174081 184084569 /nfs/dbraw/zinc/08/45/69/184084569.db2.gz UXRXOYRODKUQGS-ZDUSSCGKSA-N 1 1 308.809 2.210 50 0 DEAAMO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000058277944 184098502 /nfs/dbraw/zinc/09/85/02/184098502.db2.gz FZXJHZVYERREGZ-GDBMZVCRSA-N 1 1 318.417 2.255 50 0 DEAAMO O=C(NCC1CC1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058293918 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CC(C)(C)n1cc(C[N@H+]2CCCN(c3cccnn3)CC2)cn1 ZINC000093151071 193208485 /nfs/dbraw/zinc/20/84/85/193208485.db2.gz DVOHQTBIBGDPSO-UHFFFAOYSA-N 1 1 314.437 2.140 50 0 DEAAMO c1coc([C@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)nc2)c1 ZINC000093335366 193233478 /nfs/dbraw/zinc/23/34/78/193233478.db2.gz JUKUBVODNBPTCS-OAHLLOKOSA-N 1 1 314.389 2.243 50 0 DEAAMO c1coc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)nc2)c1 ZINC000093335366 193233480 /nfs/dbraw/zinc/23/34/80/193233480.db2.gz JUKUBVODNBPTCS-OAHLLOKOSA-N 1 1 314.389 2.243 50 0 DEAAMO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000093531244 193265070 /nfs/dbraw/zinc/26/50/70/193265070.db2.gz VXOFIEUAMDQJNU-NSHDSACASA-N 1 1 316.492 2.169 50 0 DEAAMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000093531244 193265071 /nfs/dbraw/zinc/26/50/71/193265071.db2.gz VXOFIEUAMDQJNU-NSHDSACASA-N 1 1 316.492 2.169 50 0 DEAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093531059 193265671 /nfs/dbraw/zinc/26/56/71/193265671.db2.gz NHWZBQPCRQAIGC-LBPRGKRZSA-N 1 1 322.430 2.119 50 0 DEAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCc1csc(N)n1 ZINC000095355339 193427805 /nfs/dbraw/zinc/42/78/05/193427805.db2.gz FVJPKKMHRQVAMU-CYBMUJFWSA-N 1 1 310.467 2.039 50 0 DEAAMO CC[N@H+]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000288361347 220107050 /nfs/dbraw/zinc/10/70/50/220107050.db2.gz NLPSQJXGFPLAIA-UHFFFAOYSA-N 1 1 316.854 2.197 50 0 DEAAMO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000015724266 182013419 /nfs/dbraw/zinc/01/34/19/182013419.db2.gz GLKNABKGKCGHNA-ZENOOKHLSA-N 1 1 313.825 2.327 50 0 DEAAMO COc1ccccc1OCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000015831450 182019850 /nfs/dbraw/zinc/01/98/50/182019850.db2.gz XYGCDEZTAVFTIQ-ZDUSSCGKSA-N 1 1 318.373 2.086 50 0 DEAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000019732561 182139196 /nfs/dbraw/zinc/13/91/96/182139196.db2.gz PYZQUMHYZPZHEQ-INIZCTEOSA-N 1 1 321.421 2.018 50 0 DEAAMO CN(C(=O)c1coc(COc2ccccc2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000019595202 182133121 /nfs/dbraw/zinc/13/31/21/182133121.db2.gz AQHYGHORKURXDH-ZDUSSCGKSA-N 1 1 315.373 2.030 50 0 DEAAMO O=C(Cc1cccc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000019790513 182149094 /nfs/dbraw/zinc/14/90/94/182149094.db2.gz MPPCAVIKRFFBRU-UHFFFAOYSA-N 1 1 312.413 2.221 50 0 DEAAMO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2c1C ZINC000020583741 182235147 /nfs/dbraw/zinc/23/51/47/182235147.db2.gz YNLXRZQFDQLWGY-UHFFFAOYSA-N 1 1 315.417 2.237 50 0 DEAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(N)=O)CC1 ZINC000023232800 182353792 /nfs/dbraw/zinc/35/37/92/182353792.db2.gz GZJXGNIPCSTITN-UHFFFAOYSA-N 1 1 305.403 2.409 50 0 DEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040108095 183036075 /nfs/dbraw/zinc/03/60/75/183036075.db2.gz XJJDVBKSHMVQBI-CQSZACIVSA-N 1 1 302.418 2.473 50 0 DEAAMO COc1ccc(OC)c([C@@H](O)CNc2cc(C)[nH+]c(C)n2)c1 ZINC000040520097 183090002 /nfs/dbraw/zinc/09/00/02/183090002.db2.gz PYLKFGWDFHHMPW-AWEZNQCLSA-N 1 1 303.362 2.256 50 0 DEAAMO O=S(=O)(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000268949069 207115271 /nfs/dbraw/zinc/11/52/71/207115271.db2.gz BTSRMOBYKCJTSO-RDJZCZTQSA-N 1 1 323.458 2.087 50 0 DEAAMO O=S(=O)(CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000268949069 207115274 /nfs/dbraw/zinc/11/52/74/207115274.db2.gz BTSRMOBYKCJTSO-RDJZCZTQSA-N 1 1 323.458 2.087 50 0 DEAAMO CCOc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000057554918 184042220 /nfs/dbraw/zinc/04/22/20/184042220.db2.gz QOSFAZFKRSKVTI-JTQLQIEISA-N 1 1 309.797 2.100 50 0 DEAAMO O=C(COCc1ccccc1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058174080 184084396 /nfs/dbraw/zinc/08/43/96/184084396.db2.gz UXRXOYRODKUQGS-CYBMUJFWSA-N 1 1 308.809 2.210 50 0 DEAAMO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000058309100 184103496 /nfs/dbraw/zinc/10/34/96/184103496.db2.gz VOBZFDRVCVNTAD-GFCCVEGCSA-N 1 1 323.824 2.256 50 0 DEAAMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000058309100 184103498 /nfs/dbraw/zinc/10/34/98/184103498.db2.gz VOBZFDRVCVNTAD-GFCCVEGCSA-N 1 1 323.824 2.256 50 0 DEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000060524403 184151551 /nfs/dbraw/zinc/15/15/51/184151551.db2.gz YTWSOSUXZXYUNG-GFCCVEGCSA-N 1 1 302.378 2.274 50 0 DEAAMO COc1ncc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)cn1 ZINC000065386661 184333253 /nfs/dbraw/zinc/33/32/53/184333253.db2.gz ITFJKEOULNIQFL-HNNXBMFYSA-N 1 1 319.430 2.492 50 0 DEAAMO COCC[N@H+]1CC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000065370823 184329275 /nfs/dbraw/zinc/32/92/75/184329275.db2.gz GZSOVFSGQXFEFH-SFHVURJKSA-N 1 1 314.429 2.271 50 0 DEAAMO Cc1nnsc1CN(C)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000065371787 184330285 /nfs/dbraw/zinc/33/02/85/184330285.db2.gz NGDCFTUJRSLFML-OAHLLOKOSA-N 1 1 318.446 2.416 50 0 DEAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000065493482 184354480 /nfs/dbraw/zinc/35/44/80/184354480.db2.gz IFSFICBPNRJCSJ-CQSZACIVSA-N 1 1 302.374 2.273 50 0 DEAAMO Cc1cc(C[C@H](C)[NH2+]CCC(=O)NC2CCCCCC2)n[nH]1 ZINC000065397676 184335973 /nfs/dbraw/zinc/33/59/73/184335973.db2.gz FKCXBSGAGNHFOQ-ZDUSSCGKSA-N 1 1 306.454 2.468 50 0 DEAAMO CCc1ccc2oc(=O)cc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000065405610 184338084 /nfs/dbraw/zinc/33/80/84/184338084.db2.gz DUATXUCYMFKUEA-ZDUSSCGKSA-N 1 1 314.385 2.053 50 0 DEAAMO CC[N@H+](CC(=O)NCc1ccccc1F)CC1CCOCC1 ZINC000065527683 184360460 /nfs/dbraw/zinc/36/04/60/184360460.db2.gz YBTZMXCPSKHGKY-UHFFFAOYSA-N 1 1 308.397 2.190 50 0 DEAAMO COCC[N@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC000065586361 184368895 /nfs/dbraw/zinc/36/88/95/184368895.db2.gz FIMDZJPMAWKILS-INIZCTEOSA-N 1 1 316.445 2.111 50 0 DEAAMO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)no1 ZINC000229468212 291952015 /nfs/dbraw/zinc/95/20/15/291952015.db2.gz GGKUDTDTGAUETD-MELADBBJSA-N 1 1 322.409 2.089 50 0 DEAAMO COCc1nc(C)cc(N2CCC(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000371847495 148146985 /nfs/dbraw/zinc/14/69/85/148146985.db2.gz NCXUVVKATPIYJY-UHFFFAOYSA-N 1 1 301.394 2.114 50 0 DEAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccco1 ZINC000006937303 401734395 /nfs/dbraw/zinc/73/43/95/401734395.db2.gz LGWMPXMCTAMBEC-LBPRGKRZSA-N 1 1 302.330 2.041 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000071870477 401689756 /nfs/dbraw/zinc/68/97/56/401689756.db2.gz KGOLBBDUTMVUGF-KGLIPLIRSA-N 1 1 323.462 2.378 50 0 DEAAMO c1cnn(C[C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000071875752 401690193 /nfs/dbraw/zinc/69/01/93/401690193.db2.gz HDSPLNOUHCYUJT-QGZVFWFLSA-N 1 1 308.389 2.128 50 0 DEAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000071875752 401690196 /nfs/dbraw/zinc/69/01/96/401690196.db2.gz HDSPLNOUHCYUJT-QGZVFWFLSA-N 1 1 308.389 2.128 50 0 DEAAMO O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000071896628 401694200 /nfs/dbraw/zinc/69/42/00/401694200.db2.gz CAAPPLBSBPXYLR-KRWDZBQOSA-N 1 1 320.408 2.082 50 0 DEAAMO O[C@@H](C[N@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000072253347 401703967 /nfs/dbraw/zinc/70/39/67/401703967.db2.gz MPVKSTNTUNHMKM-CJNGLKHVSA-N 1 1 322.359 2.144 50 0 DEAAMO CCOc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000072297699 401707836 /nfs/dbraw/zinc/70/78/36/401707836.db2.gz MWARGTICMZWLLD-OAHLLOKOSA-N 1 1 305.422 2.427 50 0 DEAAMO CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752318 /nfs/dbraw/zinc/75/23/18/401752318.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 1 1 323.506 2.477 50 0 DEAAMO COc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1OC ZINC000008593743 401754017 /nfs/dbraw/zinc/75/40/17/401754017.db2.gz MCDJXAHBQPFGND-AWEZNQCLSA-N 1 1 319.405 2.406 50 0 DEAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000009483977 401762699 /nfs/dbraw/zinc/76/26/99/401762699.db2.gz HGGAARQHRLEHJW-BETUJISGSA-N 1 1 304.390 2.009 50 0 DEAAMO CN(C)CCC[NH2+]CCCNc1cc(=O)oc2ccccc12 ZINC000010313689 401769408 /nfs/dbraw/zinc/76/94/08/401769408.db2.gz FWRGDVBBGTYUHO-UHFFFAOYSA-N 1 1 303.406 2.136 50 0 biogenic DEAAMO O=C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)NCc1cccnc1 ZINC000075830926 401769882 /nfs/dbraw/zinc/76/98/82/401769882.db2.gz YDPQKVKSFYCCNU-QGZVFWFLSA-N 1 1 317.433 2.121 50 0 DEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000010505596 401771128 /nfs/dbraw/zinc/77/11/28/401771128.db2.gz BRVYEICBQNRBPH-INIZCTEOSA-N 1 1 322.405 2.407 50 0 DEAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070248 401780415 /nfs/dbraw/zinc/78/04/15/401780415.db2.gz DPZXGNHMFPOOJI-OLZOCXBDSA-N 1 1 310.467 2.273 50 0 DEAAMO CNS(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000076089590 401781559 /nfs/dbraw/zinc/78/15/59/401781559.db2.gz PLJONMZHZSNIIQ-IUODEOHRSA-N 1 1 314.426 2.148 50 0 DEAAMO CCn1cc[nH+]c1N1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000012444574 401786304 /nfs/dbraw/zinc/78/63/04/401786304.db2.gz IKXKBVUSENPYBV-HJWRWDBZSA-N 1 1 310.401 2.265 50 0 DEAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000012444960 401786531 /nfs/dbraw/zinc/78/65/31/401786531.db2.gz ZNIUGESHSJHXPM-AWEZNQCLSA-N 1 1 316.405 2.138 50 0 DEAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000012444960 401786532 /nfs/dbraw/zinc/78/65/32/401786532.db2.gz ZNIUGESHSJHXPM-AWEZNQCLSA-N 1 1 316.405 2.138 50 0 DEAAMO C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 ZINC000015350147 401817717 /nfs/dbraw/zinc/81/77/17/401817717.db2.gz PDYNVWJRNZZEDN-UHFFFAOYSA-N 1 1 302.378 2.059 50 0 DEAAMO Cc1nc[nH]c1-c1nccn1CCCOC1CC[NH+](C)CC1 ZINC000077517275 401818623 /nfs/dbraw/zinc/81/86/23/401818623.db2.gz HVQHMHGVQWKJSD-UHFFFAOYSA-N 1 1 303.410 2.083 50 0 DEAAMO O=C(NCCc1cnccn1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000020541533 401824713 /nfs/dbraw/zinc/82/47/13/401824713.db2.gz UGXRELVWVQJXTD-SFHVURJKSA-N 1 1 324.428 2.190 50 0 DEAAMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000025404519 401833969 /nfs/dbraw/zinc/83/39/69/401833969.db2.gz PVLMERBEDGATNZ-LBPRGKRZSA-N 1 1 319.405 2.467 50 0 DEAAMO NC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000026224635 401839046 /nfs/dbraw/zinc/83/90/46/401839046.db2.gz QTHGZKWCJFDEMM-SFHVURJKSA-N 1 1 323.396 2.130 50 0 DEAAMO CNC(=O)c1ccc(C[N@H+](CCOC)Cc2ccco2)cc1 ZINC000026926336 401842713 /nfs/dbraw/zinc/84/27/13/401842713.db2.gz WBSFTWSNGJQJKZ-UHFFFAOYSA-N 1 1 302.374 2.288 50 0 DEAAMO CNC(=O)c1ccc(C[N@@H+](CCOC)Cc2ccco2)cc1 ZINC000026926336 401842716 /nfs/dbraw/zinc/84/27/16/401842716.db2.gz WBSFTWSNGJQJKZ-UHFFFAOYSA-N 1 1 302.374 2.288 50 0 DEAAMO Cc1ccc(N2CCC(Nc3ncnc4nc[nH]c43)CC2)[nH+]c1 ZINC000078305611 401846360 /nfs/dbraw/zinc/84/63/60/401846360.db2.gz XIMPJLBQUASICT-UHFFFAOYSA-N 1 1 309.377 2.137 50 0 DEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000078484377 401852852 /nfs/dbraw/zinc/85/28/52/401852852.db2.gz GVKPYLAXJXNCRN-NSHDSACASA-N 1 1 304.419 2.352 50 0 DEAAMO O=C(C[NH+]1CCC(O)CC1)NC1c2ccccc2-c2ccccc21 ZINC000028968007 401853948 /nfs/dbraw/zinc/85/39/48/401853948.db2.gz XOZQKFWDZXAJNL-UHFFFAOYSA-N 1 1 322.408 2.329 50 0 DEAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC3CCOCC3)C2)o1 ZINC000078891885 401868114 /nfs/dbraw/zinc/86/81/14/401868114.db2.gz IWNOLIAVQRBSEU-HNNXBMFYSA-N 1 1 307.438 2.170 50 0 DEAAMO CCN1CC[NH+](CCCNC(=O)Nc2cccc(C)c2)CC1 ZINC000031097420 401868444 /nfs/dbraw/zinc/86/84/44/401868444.db2.gz DCHZUKPIJXOECS-UHFFFAOYSA-N 1 1 304.438 2.144 50 0 DEAAMO Cc1cccc(/C=C/C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000032298205 401877491 /nfs/dbraw/zinc/87/74/91/401877491.db2.gz ZHVLTQBASLVTHR-DVBCCOPCSA-N 1 1 316.445 2.481 50 0 DEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1nccs1 ZINC000042738000 401934637 /nfs/dbraw/zinc/93/46/37/401934637.db2.gz CBNPVQFDMFMMSJ-UHFFFAOYSA-N 1 1 324.450 2.300 50 0 DEAAMO C[C@H](CNC(=O)CCc1ccsc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828483 401884222 /nfs/dbraw/zinc/88/42/22/401884222.db2.gz VHPDWXPEZCTJCB-MGPQQGTHSA-N 1 1 310.463 2.295 50 0 DEAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000033310896 401890084 /nfs/dbraw/zinc/89/00/84/401890084.db2.gz RYXOJVLTKNOQBB-BBRMVZONSA-N 1 1 316.401 2.449 50 0 DEAAMO c1cnn(-c2ccccc2C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000089813995 401966011 /nfs/dbraw/zinc/96/60/11/401966011.db2.gz 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CCCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000012420159 401785589 /nfs/dbraw/zinc/78/55/89/401785589.db2.gz KMDJOGMZMCEXJD-HNNXBMFYSA-N 1 1 310.413 2.125 50 0 DEAAMO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012570889 401788261 /nfs/dbraw/zinc/78/82/61/401788261.db2.gz FTDSFGKPOVURII-MRXNPFEDSA-N 1 1 313.401 2.420 50 0 DEAAMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCN3CCOC3=O)C2)cc1 ZINC000076394071 401794227 /nfs/dbraw/zinc/79/42/27/401794227.db2.gz BMUVZYNYYFUUJU-HIFRSBDPSA-N 1 1 304.390 2.325 50 0 DEAAMO CC[N@H+]1CC[C@H](N(C)c2ncc(Br)cn2)[C@H](C)C1 ZINC000078332784 401847340 /nfs/dbraw/zinc/84/73/40/401847340.db2.gz XACZYYVGJUCUPY-PWSUYJOCSA-N 1 1 313.243 2.406 50 0 DEAAMO COC[C@H](C)[NH2+][C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000028622003 401852865 /nfs/dbraw/zinc/85/28/65/401852865.db2.gz NSTSZPKXQFXAJC-XHDPSFHLSA-N 1 1 303.362 2.287 50 0 DEAAMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000029912929 401860109 /nfs/dbraw/zinc/86/01/09/401860109.db2.gz 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ZINC000058323649 279217910 /nfs/dbraw/zinc/21/79/10/279217910.db2.gz IIEPKIBFJUESNU-CYBMUJFWSA-N 1 1 311.385 2.369 50 0 DEAAMO O=S(=O)(C[C@@H](C[NH+]1CCCC1)N1CCCC1)c1ccccc1 ZINC000019369669 280336781 /nfs/dbraw/zinc/33/67/81/280336781.db2.gz AAJFWNLHEMRDLO-MRXNPFEDSA-N 1 1 322.474 2.021 50 0 DEAAMO O=C(Cc1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000033025953 331639238 /nfs/dbraw/zinc/63/92/38/331639238.db2.gz DRGYXUZMRZBYIT-UHFFFAOYSA-N 1 1 322.474 2.442 50 0 DEAAMO CC(C)SCCN1CCC([N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000534637705 334309863 /nfs/dbraw/zinc/30/98/63/334309863.db2.gz IVNMKVYOHRSGQP-CQSZACIVSA-N 1 1 314.495 2.389 50 0 DEAAMO CC(C)SCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000534637705 334309865 /nfs/dbraw/zinc/30/98/65/334309865.db2.gz IVNMKVYOHRSGQP-CQSZACIVSA-N 1 1 314.495 2.389 50 0 DEAAMO CC(C)SCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000534637705 334309866 /nfs/dbraw/zinc/30/98/66/334309866.db2.gz IVNMKVYOHRSGQP-CQSZACIVSA-N 1 1 314.495 2.389 50 0 DEAAMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)nn1C ZINC000534652001 334312306 /nfs/dbraw/zinc/31/23/06/334312306.db2.gz DKPNKATZKLITSQ-CQSZACIVSA-N 1 1 304.438 2.113 50 0 DEAAMO CCCC[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000534660462 334313381 /nfs/dbraw/zinc/31/33/81/334313381.db2.gz GKKIPVOXUPUZEU-QGZVFWFLSA-N 1 1 318.465 2.067 50 0 DEAAMO C[N@H+]1CCCC[C@H]1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000534658886 334315061 /nfs/dbraw/zinc/31/50/61/334315061.db2.gz JDDKQMBWOGYZOR-INIZCTEOSA-N 1 1 302.418 2.293 50 0 DEAAMO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Br)cn1 ZINC000580399737 337395581 /nfs/dbraw/zinc/39/55/81/337395581.db2.gz QXDHZIPYZRYLLK-BXKDBHETSA-N 1 1 312.211 2.116 50 0 DEAAMO CC(C)c1[nH+]ccn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000120795783 519880190 /nfs/dbraw/zinc/88/01/90/519880190.db2.gz OBLRWMMOIWZNKY-UHFFFAOYSA-N 1 1 323.418 2.432 50 0 DEAAMO C[N@H+]1CCCN(c2ncccc2CNCc2ccoc2)CC1 ZINC000012440737 523813007 /nfs/dbraw/zinc/81/30/07/523813007.db2.gz YIMWVEREAIKGBY-UHFFFAOYSA-N 1 1 300.406 2.106 50 0 DEAAMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000339101553 524601690 /nfs/dbraw/zinc/60/16/90/524601690.db2.gz ADTLKDJIHKCRSM-RTXFEEFZSA-N 1 1 304.394 2.287 50 0 DEAAMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1 ZINC000252668870 527725071 /nfs/dbraw/zinc/72/50/71/527725071.db2.gz FVELOQPSXZMMMD-DLBZAZTESA-N 1 1 302.418 2.379 50 0 DEAAMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1 ZINC000252668870 527725078 /nfs/dbraw/zinc/72/50/78/527725078.db2.gz FVELOQPSXZMMMD-DLBZAZTESA-N 1 1 302.418 2.379 50 0 DEAAMO Cc1cc(N2CCC[C@@H](CO)C2)[nH+]c2cc3c(cc12)OCO3 ZINC000000758207 635025412 /nfs/dbraw/zinc/02/54/12/635025412.db2.gz GNXDCRKBSCEBAU-GFCCVEGCSA-N 1 1 300.358 2.481 50 0 DEAAMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000011753444 635741868 /nfs/dbraw/zinc/74/18/68/635741868.db2.gz HNPLSBUMFLPEND-SFHVURJKSA-N 1 1 320.408 2.021 50 0 DEAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@H+](C)CC(C)C)C2=O)c1 ZINC000012578271 636063124 /nfs/dbraw/zinc/06/31/24/636063124.db2.gz IJQLBOBEDORSAV-LJQANCHMSA-N 1 1 318.461 2.436 50 0 DEAAMO C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000095442860 641170348 /nfs/dbraw/zinc/17/03/48/641170348.db2.gz JRERFFKXMBOSBJ-QSOAKEGCSA-N 1 1 321.852 2.105 50 0 DEAAMO CC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000067804902 642230265 /nfs/dbraw/zinc/23/02/65/642230265.db2.gz IUITWGYAFJWBQJ-SFHVURJKSA-N 1 1 312.417 2.032 50 0 DEAAMO CC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000067804902 642230267 /nfs/dbraw/zinc/23/02/67/642230267.db2.gz IUITWGYAFJWBQJ-SFHVURJKSA-N 1 1 312.417 2.032 50 0 DEAAMO COc1ncc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071748275 683927321 /nfs/dbraw/zinc/92/73/21/683927321.db2.gz PCKKBIJOAGLLDJ-KRWDZBQOSA-N 1 1 318.465 2.428 50 0 DEAAMO Cc1nc(C(F)(F)F)c(C[N@H+](C)CC2(O)CCOCC2)s1 ZINC000189757966 684388225 /nfs/dbraw/zinc/38/82/25/684388225.db2.gz JYIWMQOINZJVRG-UHFFFAOYSA-N 1 1 324.368 2.444 50 0 DEAAMO C[NH+]1C[C@]2(C)CN(CCC(=O)Nc3cccc(F)c3)C[C@@]2(C)C1 ZINC000863950330 686599860 /nfs/dbraw/zinc/59/98/60/686599860.db2.gz MQVNZLGBQBISTG-QZTJIDSGSA-N 1 1 319.424 2.428 50 0 DEAAMO CC(C)N1CC[NH+](CCCC(=O)NCc2cccs2)CC1 ZINC000585135433 790329198 /nfs/dbraw/zinc/32/91/98/790329198.db2.gz JTGWVFRRBHMFEJ-UHFFFAOYSA-N 1 1 309.479 2.171 50 0 DEAAMO CC[N@H+](Cc1ccncc1)C1CN(Cc2ccncc2F)C1 ZINC000581776564 777812555 /nfs/dbraw/zinc/81/25/55/777812555.db2.gz SRKLWHWJIIYKDD-UHFFFAOYSA-N 1 1 300.381 2.322 50 0 DEAAMO CC[N@@H+](Cc1ccncc1)C1CN(Cc2ccncc2F)C1 ZINC000581776564 777812567 /nfs/dbraw/zinc/81/25/67/777812567.db2.gz SRKLWHWJIIYKDD-UHFFFAOYSA-N 1 1 300.381 2.322 50 0 DEAAMO CC(C)CNC(=O)[C@@H]1OCC[N@H+](C2CC2)[C@H]1c1ccccc1 ZINC000675010549 778331791 /nfs/dbraw/zinc/33/17/91/778331791.db2.gz JJZTXNMOVXJENK-DLBZAZTESA-N 1 1 302.418 2.363 50 0 DEAAMO CC(C)CNC(=O)[C@@H]1OCC[N@@H+](C2CC2)[C@H]1c1ccccc1 ZINC000675010549 778331797 /nfs/dbraw/zinc/33/17/97/778331797.db2.gz JJZTXNMOVXJENK-DLBZAZTESA-N 1 1 302.418 2.363 50 0 DEAAMO O[C@@H]1CCC[N@@H+](CCCNc2cccc(C(F)(F)F)n2)C1 ZINC000828627339 783830533 /nfs/dbraw/zinc/83/05/33/783830533.db2.gz BHIADOHXJSJSHC-LLVKDONJSA-N 1 1 303.328 2.359 50 0 DEAAMO CC[C@H](CO)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000584908793 789635277 /nfs/dbraw/zinc/63/52/77/789635277.db2.gz DPXHIMNXXJZTIZ-NVXWUHKLSA-N 1 1 304.434 2.128 50 0 DEAAMO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(c3nnco3)CC2)C1=O ZINC000585116032 789702278 /nfs/dbraw/zinc/70/22/78/789702278.db2.gz DWXXECAYKJAIRZ-CQSZACIVSA-N 1 1 320.437 2.286 50 0 DEAAMO CCOc1ccc2nc(C[N@@H+](C)[C@H](C)CC(N)=O)ccc2c1 ZINC000952872128 792788859 /nfs/dbraw/zinc/78/88/59/792788859.db2.gz KKUWSPBRMASORS-GFCCVEGCSA-N 1 1 301.390 2.329 50 0 DEAAMO Cc1cc(C)n(C2C[NH+](C3CCN(C(=O)C4CCC4)CC3)C2)n1 ZINC001506398798 1061941822 /nfs/dbraw/zinc/94/18/22/1061941822.db2.gz XODWGSPSLDPVAC-UHFFFAOYSA-N 1 1 316.449 2.148 50 0 DEAAMO COCC[N@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3F)s2)C1 ZINC001506401376 1061943912 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CCCNC(=O)C[NH+]1CCC(Nc2ccncc2Cl)CC1 ZINC000089960184 185272146 /nfs/dbraw/zinc/27/21/46/185272146.db2.gz XYXIDBPAAAIMNW-UHFFFAOYSA-N 1 1 310.829 2.138 50 0 DEAAMO NC(=O)N1CCC[N@@H+](CCCSCc2ccccc2)CC1 ZINC000090524956 185300358 /nfs/dbraw/zinc/30/03/58/185300358.db2.gz XAVGTAGHVUDSPV-UHFFFAOYSA-N 1 1 307.463 2.396 50 0 DEAAMO CC[C@@H]1[C@@H](c2ccc(C)cc2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000095404907 185355471 /nfs/dbraw/zinc/35/54/71/185355471.db2.gz SZEQHNXGXCSYTD-HZPDHXFCSA-N 1 1 315.417 2.115 50 0 DEAAMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000095432431 185363440 /nfs/dbraw/zinc/36/34/40/185363440.db2.gz IGCMMLGDMLYSHO-CQSZACIVSA-N 1 1 315.772 2.225 50 0 DEAAMO Cc1nc(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000095455750 185370143 /nfs/dbraw/zinc/37/01/43/185370143.db2.gz NDILUYRIRGWETN-UHFFFAOYSA-N 1 1 300.284 2.344 50 0 DEAAMO Cc1nnc(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)[nH]1 ZINC000095455750 185370144 /nfs/dbraw/zinc/37/01/44/185370144.db2.gz NDILUYRIRGWETN-UHFFFAOYSA-N 1 1 300.284 2.344 50 0 DEAAMO C[C@H]1CN(C(=O)c2csc(C[NH3+])n2)[C@H](c2ccccc2)CO1 ZINC000237529313 290793382 /nfs/dbraw/zinc/79/33/82/290793382.db2.gz ZVTYYXBQRAYWPH-FZMZJTMJSA-N 1 1 317.414 2.204 50 0 DEAAMO O=C1CCCN1[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000071738794 191019013 /nfs/dbraw/zinc/01/90/13/191019013.db2.gz RNCSGGZUXPMMPZ-HNNXBMFYSA-N 1 1 306.381 2.291 50 0 DEAAMO CCc1ccccc1OC1CN(CC(C)(C)[NH+]2CCOCC2)C1 ZINC000072157635 191061224 /nfs/dbraw/zinc/06/12/24/191061224.db2.gz RSGUAAJUEAVNOQ-UHFFFAOYSA-N 1 1 318.461 2.423 50 0 DEAAMO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270648 191094335 /nfs/dbraw/zinc/09/43/35/191094335.db2.gz DKPKPEGAITZBFL-STQMWFEESA-N 1 1 318.446 2.356 50 0 DEAAMO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270648 191094338 /nfs/dbraw/zinc/09/43/38/191094338.db2.gz DKPKPEGAITZBFL-STQMWFEESA-N 1 1 318.446 2.356 50 0 DEAAMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270591 191093003 /nfs/dbraw/zinc/09/30/03/191093003.db2.gz CTURMVKLBYLHRJ-MRXNPFEDSA-N 1 1 312.417 2.248 50 0 DEAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072313337 191119941 /nfs/dbraw/zinc/11/99/41/191119941.db2.gz DNHXOGXSPHBYNC-CQSZACIVSA-N 1 1 301.394 2.101 50 0 DEAAMO Cn1ccnc1C[N@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072429448 191162837 /nfs/dbraw/zinc/16/28/37/191162837.db2.gz LZZAWSITZIEZBU-UHFFFAOYSA-N 1 1 311.433 2.450 50 0 DEAAMO CCn1ccc2ccc(C[N@@H+]3CC[C@](O)(CN(C)C)C3)cc21 ZINC000072463578 191174300 /nfs/dbraw/zinc/17/43/00/191174300.db2.gz LWDNEDAGHHKPQX-SFHVURJKSA-N 1 1 301.434 2.160 50 0 DEAAMO CCn1ccc2ccc(C[N@H+]3CC[C@](O)(CN(C)C)C3)cc21 ZINC000072463578 191174303 /nfs/dbraw/zinc/17/43/03/191174303.db2.gz LWDNEDAGHHKPQX-SFHVURJKSA-N 1 1 301.434 2.160 50 0 DEAAMO CC[C@H](CNc1cc(C)nc2c(C)c(C)nn21)[NH+]1CCOCC1 ZINC000072477121 191179638 /nfs/dbraw/zinc/17/96/38/191179638.db2.gz SOZWRTKHFHJUPN-OAHLLOKOSA-N 1 1 317.437 2.177 50 0 DEAAMO NC(=O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000000757376 180831848 /nfs/dbraw/zinc/83/18/48/180831848.db2.gz MMWHNWKHFHBGAG-UHFFFAOYSA-N 1 1 315.186 2.286 50 0 DEAAMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000173922522 198269565 /nfs/dbraw/zinc/26/95/65/198269565.db2.gz OZMGAJWIJPZVLX-IUODEOHRSA-N 1 1 304.365 2.358 50 0 DEAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000003327891 181006196 /nfs/dbraw/zinc/00/61/96/181006196.db2.gz WHAKKPAKTZULNF-KFWWJZLASA-N 1 1 302.418 2.069 50 0 DEAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000003327891 181006197 /nfs/dbraw/zinc/00/61/97/181006197.db2.gz WHAKKPAKTZULNF-KFWWJZLASA-N 1 1 302.418 2.069 50 0 DEAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCC(=O)N(CC)CC)o1 ZINC000004512873 181118441 /nfs/dbraw/zinc/11/84/41/181118441.db2.gz OXBKCYUEMHCNHG-ONGXEEELSA-N 1 1 300.428 2.076 50 0 DEAAMO Cc1ccncc1CCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000348187891 283051060 /nfs/dbraw/zinc/05/10/60/283051060.db2.gz QJBCOCJVIBFNKH-SFHVURJKSA-N 1 1 304.434 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309.373 2.188 50 0 DEAAMO COCC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000068491995 402200186 /nfs/dbraw/zinc/20/01/86/402200186.db2.gz WKSAVDXVOWLNIJ-HUUCEWRRSA-N 1 1 322.424 2.404 50 0 DEAAMO C[C@H](C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000067560277 402162340 /nfs/dbraw/zinc/16/23/40/402162340.db2.gz GEALUZVGLDKENT-MRXNPFEDSA-N 1 1 314.433 2.025 50 0 DEAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2scc3c2OCCO3)C1 ZINC000067642191 402165807 /nfs/dbraw/zinc/16/58/07/402165807.db2.gz PNFJCHJFOCYWMF-LBPRGKRZSA-N 1 1 324.446 2.323 50 0 DEAAMO Cc1cccc(OCC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1C ZINC000067675594 402167305 /nfs/dbraw/zinc/16/73/05/402167305.db2.gz LMGPMNZHGXFKEW-INIZCTEOSA-N 1 1 302.418 2.379 50 0 DEAAMO Cc1cc(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000067714063 402169658 /nfs/dbraw/zinc/16/96/58/402169658.db2.gz LODLBGHIHKEEAJ-MRXNPFEDSA-N 1 1 313.401 2.164 50 0 DEAAMO CC(C)[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC(=O)N1 ZINC000067724115 402169990 /nfs/dbraw/zinc/16/99/90/402169990.db2.gz XRJLCLHTONSGCP-NSHDSACASA-N 1 1 320.418 2.287 50 0 DEAAMO CC(C)[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC(=O)N1 ZINC000067724115 402169992 /nfs/dbraw/zinc/16/99/92/402169992.db2.gz XRJLCLHTONSGCP-NSHDSACASA-N 1 1 320.418 2.287 50 0 DEAAMO Cc1ccc(N2CCC([N@@H+](C)CCC(N)=O)CC2)cc1Cl ZINC000067714618 402170086 /nfs/dbraw/zinc/17/00/86/402170086.db2.gz IBXRGYFTVXQPOA-UHFFFAOYSA-N 1 1 309.841 2.424 50 0 DEAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)C)C1 ZINC000067908804 402178038 /nfs/dbraw/zinc/17/80/38/402178038.db2.gz NPVBWBQAXZTISY-AWEZNQCLSA-N 1 1 306.454 2.185 50 0 DEAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](CCNC(=O)C(C)(C)C)C1 ZINC000067908804 402178040 /nfs/dbraw/zinc/17/80/40/402178040.db2.gz NPVBWBQAXZTISY-AWEZNQCLSA-N 1 1 306.454 2.185 50 0 DEAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000106824356 402216814 /nfs/dbraw/zinc/21/68/14/402216814.db2.gz LLTZXFWJTVARTN-MWLCHTKSSA-N 1 1 320.780 2.258 50 0 DEAAMO CN(C)C(=O)CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000069324653 402218135 /nfs/dbraw/zinc/21/81/35/402218135.db2.gz XKRSECHIFFGZOI-UHFFFAOYSA-N 1 1 303.450 2.063 50 0 DEAAMO CCOc1cccc(N2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000106873885 402219652 /nfs/dbraw/zinc/21/96/52/402219652.db2.gz GASUKIYLDRSWHW-UHFFFAOYSA-N 1 1 316.405 2.407 50 0 DEAAMO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1Cc2ccccc2C1 ZINC000069418303 402222329 /nfs/dbraw/zinc/22/23/29/402222329.db2.gz IWTTYBWWQYWPRS-UHFFFAOYSA-N 1 1 311.410 2.355 50 0 DEAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2c(C)nn(C)c2Cl)n1 ZINC000069489472 402226276 /nfs/dbraw/zinc/22/62/76/402226276.db2.gz KJUHNAJFNVXLDH-CYBMUJFWSA-N 1 1 322.844 2.255 50 0 DEAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2Cl)n1 ZINC000069489472 402226280 /nfs/dbraw/zinc/22/62/80/402226280.db2.gz KJUHNAJFNVXLDH-CYBMUJFWSA-N 1 1 322.844 2.255 50 0 DEAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069489350 402226294 /nfs/dbraw/zinc/22/62/94/402226294.db2.gz FAYXMHNIRYKKKP-QAETUUGQSA-N 1 1 324.465 2.046 50 0 DEAAMO CC[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1[NH+]1CCOCC1 ZINC000107323301 402229867 /nfs/dbraw/zinc/22/98/67/402229867.db2.gz IKCTXMXHHBTJMJ-GVDBMIGSSA-N 1 1 319.449 2.008 50 0 DEAAMO Cc1cnn(C[C@H](C)[NH2+]Cc2nc(-c3cccs3)no2)c1 ZINC000069536367 402230248 /nfs/dbraw/zinc/23/02/48/402230248.db2.gz DHYFIDIJFTWWRG-NSHDSACASA-N 1 1 303.391 2.481 50 0 DEAAMO CN1CCO[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000069560694 402231162 /nfs/dbraw/zinc/23/11/62/402231162.db2.gz GICQPFKSEZOGPQ-HNNXBMFYSA-N 1 1 321.421 2.369 50 0 DEAAMO CCC[N@H+]1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000069656568 402236886 /nfs/dbraw/zinc/23/68/86/402236886.db2.gz WTQXHECVBVHQTE-UHFFFAOYSA-N 1 1 306.406 2.262 50 0 DEAAMO OC[C@H]1CCC[N@H+]1CCCCNc1ncnc2ccccc21 ZINC000069657973 402237294 /nfs/dbraw/zinc/23/72/94/402237294.db2.gz MVBUYOUAYCSCOM-CQSZACIVSA-N 1 1 300.406 2.279 50 0 DEAAMO CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069776940 402243601 /nfs/dbraw/zinc/24/36/01/402243601.db2.gz LHNHYUGKWVKTEO-CQSZACIVSA-N 1 1 318.446 2.068 50 0 DEAAMO CC[N@@H+]1CCO[C@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000069774107 402243610 /nfs/dbraw/zinc/24/36/10/402243610.db2.gz ZXIMSPLOYAINGO-CQSZACIVSA-N 1 1 318.446 2.015 50 0 DEAAMO CC[N@H+]1CCO[C@H](CNCc2csc(-c3ccccn3)n2)C1 ZINC000069774107 402243614 /nfs/dbraw/zinc/24/36/14/402243614.db2.gz ZXIMSPLOYAINGO-CQSZACIVSA-N 1 1 318.446 2.015 50 0 DEAAMO CCN1CCO[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000069774107 402243616 /nfs/dbraw/zinc/24/36/16/402243616.db2.gz ZXIMSPLOYAINGO-CQSZACIVSA-N 1 1 318.446 2.015 50 0 DEAAMO CC(C)c1noc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000069779930 402244302 /nfs/dbraw/zinc/24/43/02/402244302.db2.gz XBDMREVTHXVPPQ-UONOGXRCSA-N 1 1 320.437 2.211 50 0 DEAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069870827 402248197 /nfs/dbraw/zinc/24/81/97/402248197.db2.gz VPUPKCCGBXZREQ-CYBMUJFWSA-N 1 1 304.369 2.338 50 0 DEAAMO COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000069923754 402251852 /nfs/dbraw/zinc/25/18/52/402251852.db2.gz SZUBPEUBIWNOMV-YXMGTMDOSA-N 1 1 316.401 2.085 50 0 DEAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000069928393 402252044 /nfs/dbraw/zinc/25/20/44/402252044.db2.gz VZJMTMLZRSFWNT-IAGOWNOFSA-N 1 1 301.434 2.490 50 0 DEAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnn(C)c2C2CC2)C1 ZINC000069952103 402252997 /nfs/dbraw/zinc/25/29/97/402252997.db2.gz BNRXTWKHVWMWML-AWEZNQCLSA-N 1 1 313.405 2.280 50 0 DEAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)c1 ZINC000070040492 402256067 /nfs/dbraw/zinc/25/60/67/402256067.db2.gz PHOFRAKIZJBNKY-CQSZACIVSA-N 1 1 318.446 2.034 50 0 DEAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)NCc2cccs2)c1 ZINC000070040492 402256070 /nfs/dbraw/zinc/25/60/70/402256070.db2.gz PHOFRAKIZJBNKY-CQSZACIVSA-N 1 1 318.446 2.034 50 0 DEAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC1=CCCOC1 ZINC000125927639 402257341 /nfs/dbraw/zinc/25/73/41/402257341.db2.gz GOSFEWZBUQYHLY-CYBMUJFWSA-N 1 1 309.431 2.430 50 0 DEAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC1=CCCOC1 ZINC000125927639 402257344 /nfs/dbraw/zinc/25/73/44/402257344.db2.gz GOSFEWZBUQYHLY-CYBMUJFWSA-N 1 1 309.431 2.430 50 0 DEAAMO Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)C)C2)[nH]c2c1C(=O)CCC2 ZINC000070879261 402266261 /nfs/dbraw/zinc/26/62/61/402266261.db2.gz ATMKVGQASVHOKE-LBPRGKRZSA-N 1 1 303.406 2.055 50 0 DEAAMO CC(C)[C@H]1CN(C(=O)c2ccn(C)n2)CCC[N@H+]1CC1CC1 ZINC000071552286 402275789 /nfs/dbraw/zinc/27/57/89/402275789.db2.gz SGLILZLUTAYHRU-MRXNPFEDSA-N 1 1 304.438 2.003 50 0 DEAAMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cn(-c3ccccc3)nn1)C2 ZINC000215120323 402281139 /nfs/dbraw/zinc/28/11/39/402281139.db2.gz BEBYYDMOUQJDLZ-SFHVURJKSA-N 1 1 311.433 2.185 50 0 DEAAMO CC(C)n1cc(CN2CCC([N@H+]3CCC[C@H](CO)C3)CC2)cn1 ZINC000215284218 402282348 /nfs/dbraw/zinc/28/23/48/402282348.db2.gz UGKPNJVSIUYPTA-INIZCTEOSA-N 1 1 320.481 2.133 50 0 DEAAMO Cc1ccc2nc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cc(=O)n2c1 ZINC000071828208 402284776 /nfs/dbraw/zinc/28/47/76/402284776.db2.gz RYJGRYAVSOFIGO-HOTGVXAUSA-N 1 1 313.401 2.146 50 0 DEAAMO Cc1ccc2nc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cc(=O)n2c1 ZINC000071828208 402284777 /nfs/dbraw/zinc/28/47/77/402284777.db2.gz RYJGRYAVSOFIGO-HOTGVXAUSA-N 1 1 313.401 2.146 50 0 DEAAMO CC(C)C[N@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@@H]1CCO ZINC000216007357 402286377 /nfs/dbraw/zinc/28/63/77/402286377.db2.gz BDOYVUUYZPRWNV-SFHVURJKSA-N 1 1 318.461 2.146 50 0 DEAAMO Cn1c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc2ccccc21 ZINC000215981090 402286391 /nfs/dbraw/zinc/28/63/91/402286391.db2.gz DPLZUCVSOKNLPD-AWEZNQCLSA-N 1 1 320.458 2.435 50 0 DEAAMO Cn1c(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc2ccccc21 ZINC000215981090 402286392 /nfs/dbraw/zinc/28/63/92/402286392.db2.gz DPLZUCVSOKNLPD-AWEZNQCLSA-N 1 1 320.458 2.435 50 0 DEAAMO O=C(Cc1ccccc1O)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000219913081 402299758 /nfs/dbraw/zinc/29/97/58/402299758.db2.gz MBNSJFNYQDOBOW-OAHLLOKOSA-N 1 1 302.418 2.458 50 0 DEAAMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cccn2)c1 ZINC000229235474 402341227 /nfs/dbraw/zinc/34/12/27/402341227.db2.gz IWOOXENZQPYROE-WBVHZDCISA-N 1 1 301.390 2.090 50 0 DEAAMO COc1cccc(NC(=O)CC[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000230113958 402347253 /nfs/dbraw/zinc/34/72/53/402347253.db2.gz DQYRTCMZTAZOPA-HZPDHXFCSA-N 1 1 304.390 2.277 50 0 DEAAMO C[C@H](C[N@@H+](C)Cc1cc(-c2cccs2)n[nH]1)n1cncn1 ZINC000244893017 402451241 /nfs/dbraw/zinc/45/12/41/402451241.db2.gz YTWFHPXMPQGVKD-LLVKDONJSA-N 1 1 302.407 2.423 50 0 DEAAMO Cc1c[nH]c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)n1 ZINC000243892725 402446458 /nfs/dbraw/zinc/44/64/58/402446458.db2.gz AJXXGIHFVCFBQG-OAHLLOKOSA-N 1 1 312.417 2.246 50 0 DEAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]2CCCO2)o1 ZINC000245279932 402453102 /nfs/dbraw/zinc/45/31/02/402453102.db2.gz KCSMKIOAAXHAOW-HZPDHXFCSA-N 1 1 311.422 2.355 50 0 DEAAMO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000186684224 402455044 /nfs/dbraw/zinc/45/50/44/402455044.db2.gz MRXIOKODTQDTRU-UHFFFAOYSA-N 1 1 304.434 2.408 50 0 DEAAMO CC[N@@H+](CC(=O)[O-])C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000186684224 402455047 /nfs/dbraw/zinc/45/50/47/402455047.db2.gz MRXIOKODTQDTRU-UHFFFAOYSA-N 1 1 304.434 2.408 50 0 DEAAMO C[N@@H+](C[C@H](O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247050366 402554765 /nfs/dbraw/zinc/55/47/65/402554765.db2.gz FGOZVXDCHMYNIL-IRXDYDNUSA-N 1 1 312.417 2.111 50 0 DEAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000248097448 402582324 /nfs/dbraw/zinc/58/23/24/402582324.db2.gz DEVDELGKFXSWCX-DLBZAZTESA-N 1 1 312.417 2.191 50 0 DEAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCOCC1 ZINC000248861979 402611670 /nfs/dbraw/zinc/61/16/70/402611670.db2.gz PTNFNJSPAZPVQX-WMLDXEAASA-N 1 1 302.418 2.050 50 0 DEAAMO C[C@@H]1COCCN1CC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249504429 402631961 /nfs/dbraw/zinc/63/19/61/402631961.db2.gz HNHNILZCPDSYKM-HZPDHXFCSA-N 1 1 321.440 2.057 50 0 DEAAMO C[N@H+]1CCCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000181419211 402644770 /nfs/dbraw/zinc/64/47/70/402644770.db2.gz VOSAMYYQPLSMSZ-UHFFFAOYSA-N 1 1 311.769 2.238 50 0 DEAAMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000252488663 402655401 /nfs/dbraw/zinc/65/54/01/402655401.db2.gz IWLBFGYZMUOSDT-QGZVFWFLSA-N 1 1 323.396 2.250 50 0 DEAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2sccc2Cl)C1 ZINC000252498146 402656722 /nfs/dbraw/zinc/65/67/22/402656722.db2.gz QVFANENQOPEPDC-LLVKDONJSA-N 1 1 315.870 2.079 50 0 DEAAMO CC[N@H+]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCc1ccsc1 ZINC000252503752 402657111 /nfs/dbraw/zinc/65/71/11/402657111.db2.gz VGPPIJNQOQLLFG-CABCVRRESA-N 1 1 308.447 2.002 50 0 DEAAMO CCc1nc(N2CCC(N(C)c3cccnn3)CC2)cc(C)[nH+]1 ZINC000253415515 402663943 /nfs/dbraw/zinc/66/39/43/402663943.db2.gz ONSVISMBBOONNS-UHFFFAOYSA-N 1 1 312.421 2.243 50 0 DEAAMO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000253420184 402665238 /nfs/dbraw/zinc/66/52/38/402665238.db2.gz UZYHBVWPCVJVER-ZDUSSCGKSA-N 1 1 312.421 2.419 50 0 DEAAMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000264610247 402890901 /nfs/dbraw/zinc/89/09/01/402890901.db2.gz HSCMFVJFQKSUFK-SYTKJHMZSA-N 1 1 301.415 2.377 50 0 DEAAMO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000269286054 403128268 /nfs/dbraw/zinc/12/82/68/403128268.db2.gz SEMCPEOVANMSSX-DGCLKSJQSA-N 1 1 316.380 2.415 50 0 DEAAMO COCc1noc([C@H](C)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000332098837 403483090 /nfs/dbraw/zinc/48/30/90/403483090.db2.gz PGGTZLNGUTZCFZ-LBPRGKRZSA-N 1 1 322.434 2.156 50 0 DEAAMO O=C(NCCCCO)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299761620 403568429 /nfs/dbraw/zinc/56/84/29/403568429.db2.gz LXBVNYAPGGBIEV-BBWFWOEESA-N 1 1 302.418 2.101 50 0 DEAAMO Cc1ncn(C)c1C(=O)NCC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000299798777 403578262 /nfs/dbraw/zinc/57/82/62/403578262.db2.gz RIKCDKFTTKPEQK-OAHLLOKOSA-N 1 1 306.454 2.359 50 0 DEAAMO COCCN1CC[N@@H+](Cc2ccc(C(C)C)cc2)CCC1=O ZINC000299797301 403578614 /nfs/dbraw/zinc/57/86/14/403578614.db2.gz PROWWTWZPBUQAR-UHFFFAOYSA-N 1 1 304.434 2.491 50 0 DEAAMO CC(C)[N@@H+](C)C[C@H](O)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000408523629 403824533 /nfs/dbraw/zinc/82/45/33/403824533.db2.gz LWPMGCBNWOUJEV-AWEZNQCLSA-N 1 1 319.424 2.366 50 0 DEAAMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@H]3CO)ccc12 ZINC000304278895 403775161 /nfs/dbraw/zinc/77/51/61/403775161.db2.gz JJGWFBXVHDFLFR-AWEZNQCLSA-N 1 1 317.385 2.327 50 0 DEAAMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCO)C1 ZINC000328597989 404111670 /nfs/dbraw/zinc/11/16/70/404111670.db2.gz JZDTULJFKHDDJW-HUUCEWRRSA-N 1 1 312.454 2.480 50 0 DEAAMO CN(Cc1cc[nH]n1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341893065 404240501 /nfs/dbraw/zinc/24/05/01/404240501.db2.gz QYYPEEUQVHTGBG-SFHVURJKSA-N 1 1 314.433 2.133 50 0 DEAAMO C[C@H]1COCCN1CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000377588990 404840717 /nfs/dbraw/zinc/84/07/17/404840717.db2.gz YMUYTAXTRVBGPD-HNNXBMFYSA-N 1 1 304.434 2.380 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2cc(OC)ccc2C1 ZINC000426628102 405372127 /nfs/dbraw/zinc/37/21/27/405372127.db2.gz BDAATACWJVTFFH-MRXNPFEDSA-N 1 1 317.433 2.247 50 0 DEAAMO CC[N@@H+]1[C@H](C)CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1C ZINC000585116030 405869718 /nfs/dbraw/zinc/86/97/18/405869718.db2.gz DWLOAZAJPUMPIU-XHSDSOJGSA-N 1 1 309.498 2.438 50 0 DEAAMO CCN1[C@H](C)C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1C ZINC000585116030 405869726 /nfs/dbraw/zinc/86/97/26/405869726.db2.gz DWLOAZAJPUMPIU-XHSDSOJGSA-N 1 1 309.498 2.438 50 0 DEAAMO CCN1[C@H](C)C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1C ZINC000585116030 405869733 /nfs/dbraw/zinc/86/97/33/405869733.db2.gz DWLOAZAJPUMPIU-XHSDSOJGSA-N 1 1 309.498 2.438 50 0 DEAAMO Oc1ccc(C[NH+]2CCC3(CC[C@@H]3N3CCOCC3)CC2)cc1 ZINC000575316430 406806571 /nfs/dbraw/zinc/80/65/71/406806571.db2.gz VKULOERVMDSUPF-SFHVURJKSA-N 1 1 316.445 2.469 50 0 DEAAMO CC(C)c1[nH+]ccn1C1CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000575551150 406812416 /nfs/dbraw/zinc/81/24/16/406812416.db2.gz PFEWVXISIVXCAA-UHFFFAOYSA-N 1 1 323.393 2.391 50 0 DEAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnsn2)[C@@H]1c1cccs1 ZINC000129725165 196071415 /nfs/dbraw/zinc/07/14/15/196071415.db2.gz NILKWJARXKZRNY-GXFFZTMASA-N 1 1 322.459 2.413 50 0 DEAAMO Cn1ccnc1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513664 227235860 /nfs/dbraw/zinc/23/58/60/227235860.db2.gz HRCMIIKIKRAXGQ-GOEBONIOSA-N 1 1 310.401 2.015 50 0 DEAAMO CONC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000108145209 424851173 /nfs/dbraw/zinc/85/11/73/424851173.db2.gz XMVQSWQSUBKVTH-GXFFZTMASA-N 1 1 315.776 2.333 50 0 DEAAMO C[C@@H]1CCCCN1c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000252511802 424888182 /nfs/dbraw/zinc/88/81/82/424888182.db2.gz KQKXWWTYSWNKHK-HUUCEWRRSA-N 1 1 316.449 2.237 50 0 DEAAMO C[C@@H]1CCCCN1c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000252511802 424888184 /nfs/dbraw/zinc/88/81/84/424888184.db2.gz KQKXWWTYSWNKHK-HUUCEWRRSA-N 1 1 316.449 2.237 50 0 DEAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007444480 274192206 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Cc1ncncc1C(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534585391 334291805 /nfs/dbraw/zinc/29/18/05/334291805.db2.gz LWYLISVCYFBFEU-AWEZNQCLSA-N 1 1 302.422 2.169 50 0 DEAAMO CS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000534653333 334312814 /nfs/dbraw/zinc/31/28/14/334312814.db2.gz JILHSBLFNYPZBL-AWEZNQCLSA-N 1 1 316.854 2.416 50 0 DEAAMO COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000097237249 337382639 /nfs/dbraw/zinc/38/26/39/337382639.db2.gz CGDVWBYMGRPHKP-ZDUSSCGKSA-N 1 1 324.808 2.357 50 0 DEAAMO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3o2)C[C@H]1C ZINC000240412643 528753193 /nfs/dbraw/zinc/75/31/93/528753193.db2.gz FNNMSBAFNWGBNP-CQSZACIVSA-N 1 1 303.406 2.370 50 0 DEAAMO CCOCC[N@H+]1CCN(Cc2nc3ccccc3o2)C[C@H]1C ZINC000240412643 528753196 /nfs/dbraw/zinc/75/31/96/528753196.db2.gz FNNMSBAFNWGBNP-CQSZACIVSA-N 1 1 303.406 2.370 50 0 DEAAMO CCn1cc(CC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cn1 ZINC000368490294 536040400 /nfs/dbraw/zinc/04/04/00/536040400.db2.gz MVGBWFZLBCURQW-IBGZPJMESA-N 1 1 313.445 2.472 50 0 DEAAMO CO[C@H](C)c1c(-c2ccccc2)ncn1C[C@]1(O)CC[N@@H+](C)C1 ZINC000888097445 635541225 /nfs/dbraw/zinc/54/12/25/635541225.db2.gz JAKCXIMUWFOSKC-KDOFPFPSSA-N 1 1 315.417 2.324 50 0 DEAAMO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000169788092 646629409 /nfs/dbraw/zinc/62/94/09/646629409.db2.gz DRHMYTJCSUNBGN-UHFFFAOYSA-N 1 1 315.421 2.420 50 0 DEAAMO CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000174253957 646800523 /nfs/dbraw/zinc/80/05/23/646800523.db2.gz IITYTRYOHGWRJH-MRXNPFEDSA-N 1 1 320.408 2.458 50 0 DEAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000000202150 683830125 /nfs/dbraw/zinc/83/01/25/683830125.db2.gz BXXWVJIYUVVGCD-HNNXBMFYSA-N 1 1 320.433 2.481 50 0 DEAAMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)no1 ZINC000014980111 683849683 /nfs/dbraw/zinc/84/96/83/683849683.db2.gz VBENZQWTWOPSMO-INIZCTEOSA-N 1 1 313.401 2.420 50 0 DEAAMO CCC[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(C#N)nc2)C1 ZINC000067743848 683924921 /nfs/dbraw/zinc/92/49/21/683924921.db2.gz HUJIKDCETZKRIR-AWEZNQCLSA-N 1 1 300.406 2.195 50 0 DEAAMO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000187332715 684335799 /nfs/dbraw/zinc/33/57/99/684335799.db2.gz BOEDZCMHDZTOIJ-GOSISDBHSA-N 1 1 313.401 2.019 50 0 DEAAMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000187332715 684335803 /nfs/dbraw/zinc/33/58/03/684335803.db2.gz BOEDZCMHDZTOIJ-GOSISDBHSA-N 1 1 313.401 2.019 50 0 DEAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191777056 684436752 /nfs/dbraw/zinc/43/67/52/684436752.db2.gz OMWIWGPEKTUANE-SFHVURJKSA-N 1 1 309.413 2.357 50 0 DEAAMO C[NH+]1C[C@@]2(C)CN(CCC(=O)Nc3cccc(F)c3)C[C@]2(C)C1 ZINC000863950331 686600241 /nfs/dbraw/zinc/60/02/41/686600241.db2.gz MQVNZLGBQBISTG-ROUUACIJSA-N 1 1 319.424 2.428 50 0 DEAAMO O=C(Cc1cccnc1)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000827854352 783699642 /nfs/dbraw/zinc/69/96/42/783699642.db2.gz KASKMIBTWUEMRT-OAHLLOKOSA-N 1 1 315.442 2.466 50 0 DEAAMO COCCn1c(C)c[nH+]c1CCNC(=O)CCc1ccccc1 ZINC000581816882 784789386 /nfs/dbraw/zinc/78/93/86/784789386.db2.gz JCMVTLGQUKMKOU-UHFFFAOYSA-N 1 1 315.417 2.129 50 0 DEAAMO CC/C=C(\C)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000585087401 789688192 /nfs/dbraw/zinc/68/81/92/789688192.db2.gz HRCNZARWEDBVMF-FRKPEAEDSA-N 1 1 307.482 2.361 50 0 DEAAMO CC/C=C(\C)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000585087401 789688198 /nfs/dbraw/zinc/68/81/98/789688198.db2.gz HRCNZARWEDBVMF-FRKPEAEDSA-N 1 1 307.482 2.361 50 0 DEAAMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1c(F)nccc1Cl ZINC000952995762 792894413 /nfs/dbraw/zinc/89/44/13/792894413.db2.gz YCLSECPZCWJVPX-CQSZACIVSA-N 1 1 318.776 2.056 50 0 DEAAMO COc1cc(C)ccc1C[N@@H+]1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529098914 1070852803 /nfs/dbraw/zinc/85/28/03/1070852803.db2.gz PJCKUDRBZYUHCB-NVXWUHKLSA-N 1 1 315.417 2.071 50 0 DEAAMO COc1cc(C)ccc1C[N@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529098914 1070852828 /nfs/dbraw/zinc/85/28/28/1070852828.db2.gz PJCKUDRBZYUHCB-NVXWUHKLSA-N 1 1 315.417 2.071 50 0 DEAAMO COc1cc(C)ccc1C[N@@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529098914 1070852848 /nfs/dbraw/zinc/85/28/48/1070852848.db2.gz PJCKUDRBZYUHCB-NVXWUHKLSA-N 1 1 315.417 2.071 50 0 DEAAMO COc1cccc(OC[C@@H]2CCC[N@@H+](CCn3cnnc3)C2)c1 ZINC001529138906 1070875579 /nfs/dbraw/zinc/87/55/79/1070875579.db2.gz KANCOVRKRLKFEO-OAHLLOKOSA-N 1 1 316.405 2.078 50 0 DEAAMO O[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1Cc1cnccn1 ZINC001529167740 1070898820 /nfs/dbraw/zinc/89/88/20/1070898820.db2.gz NJGWDTCOTSHWQE-CZUORRHYSA-N 1 1 303.793 2.165 50 0 DEAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3cccc4c3ccn4C)C[C@H]2O)[nH]n1 ZINC001529196098 1070912324 /nfs/dbraw/zinc/91/23/24/1070912324.db2.gz UXRCYCJFYTZNCE-DNVCBOLYSA-N 1 1 324.428 2.245 50 0 DEAAMO Cc1cc(C[C@@H]2C[N@H+](Cc3cccc4c3ccn4C)C[C@H]2O)n[nH]1 ZINC001529196098 1070912336 /nfs/dbraw/zinc/91/23/36/1070912336.db2.gz UXRCYCJFYTZNCE-DNVCBOLYSA-N 1 1 324.428 2.245 50 0 DEAAMO 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O=C(c1ccon1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072072804 401702678 /nfs/dbraw/zinc/70/26/78/401702678.db2.gz PJTXZWOJRGQDMA-UHFFFAOYSA-N 1 1 313.401 2.455 50 0 DEAAMO CCc1nnc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000072133862 401703344 /nfs/dbraw/zinc/70/33/44/401703344.db2.gz IRQNQJCMHPQDPJ-KRWDZBQOSA-N 1 1 312.373 2.118 50 0 DEAAMO CCc1nnc(C[N@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000072133862 401703345 /nfs/dbraw/zinc/70/33/45/401703345.db2.gz IRQNQJCMHPQDPJ-KRWDZBQOSA-N 1 1 312.373 2.118 50 0 DEAAMO CCC12CN3CC(C)(C[N@H+](C1)C3[C@H]1CCOC(C)(C)C1)C2=O ZINC000072332951 401708838 /nfs/dbraw/zinc/70/88/38/401708838.db2.gz FAIWTICMJBTPRQ-XSJWZJLZSA-N 1 1 306.450 2.134 50 0 biogenic DEAAMO CCC12CN3CC(C)(C[N@@H+](C1)C3[C@H]1CCOC(C)(C)C1)C2=O ZINC000072332951 401708841 /nfs/dbraw/zinc/70/88/41/401708841.db2.gz FAIWTICMJBTPRQ-XSJWZJLZSA-N 1 1 306.450 2.134 50 0 biogenic DEAAMO Nc1nc2c(c(NC3CC3)n1)CC[N@@H+](Cc1cccs1)CC2 ZINC000072406915 401709758 /nfs/dbraw/zinc/70/97/58/401709758.db2.gz 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CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000069946698 402251693 /nfs/dbraw/zinc/25/16/93/402251693.db2.gz VIVXAUCAPKJSQB-AWEZNQCLSA-N 1 1 301.394 2.067 50 0 DEAAMO C[N@H+](CC(=O)N1CCC[C@@H]1Cn1cccn1)Cc1ccccc1 ZINC000070039881 402256021 /nfs/dbraw/zinc/25/60/21/402256021.db2.gz DITCRWFHPUGEKW-QGZVFWFLSA-N 1 1 312.417 2.006 50 0 DEAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1Cn1cccn1)Cc1ccccc1 ZINC000070039881 402256024 /nfs/dbraw/zinc/25/60/24/402256024.db2.gz DITCRWFHPUGEKW-QGZVFWFLSA-N 1 1 312.417 2.006 50 0 DEAAMO C[N@H+](CC(=O)N1CCC[C@H](n2ccnc2)C1)Cc1ccccc1 ZINC000071796447 402277980 /nfs/dbraw/zinc/27/79/80/402277980.db2.gz IGVPYPPJLRSVNE-KRWDZBQOSA-N 1 1 312.417 2.179 50 0 DEAAMO C[N@@H+](CC(=O)N1CCC[C@H](n2ccnc2)C1)Cc1ccccc1 ZINC000071796447 402277983 /nfs/dbraw/zinc/27/79/83/402277983.db2.gz IGVPYPPJLRSVNE-KRWDZBQOSA-N 1 1 312.417 2.179 50 0 DEAAMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000071797145 402278045 /nfs/dbraw/zinc/27/80/45/402278045.db2.gz IISZGUJEGFMERV-KRWDZBQOSA-N 1 1 312.417 2.459 50 0 DEAAMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000071797145 402278046 /nfs/dbraw/zinc/27/80/46/402278046.db2.gz IISZGUJEGFMERV-KRWDZBQOSA-N 1 1 312.417 2.459 50 0 DEAAMO CCn1cncc1C[N@@H+](C)CCc1nc2cc(OC)ccc2[nH]1 ZINC000215464001 402283192 /nfs/dbraw/zinc/28/31/92/402283192.db2.gz HMJOBAOHLWSQIF-UHFFFAOYSA-N 1 1 313.405 2.462 50 0 DEAAMO C=Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000215770022 402285011 /nfs/dbraw/zinc/28/50/11/402285011.db2.gz WRNDEJGBYKYZKV-GOSISDBHSA-N 1 1 314.429 2.391 50 0 DEAAMO COc1nc(C(=O)N2CC[NH+](C(C)C)CC2)cc2ccccc21 ZINC000071830464 402285240 /nfs/dbraw/zinc/28/52/40/402285240.db2.gz FNLHQXYLQDYKIQ-UHFFFAOYSA-N 1 1 313.401 2.410 50 0 DEAAMO O=C(c1cncn1-c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839978 402286568 /nfs/dbraw/zinc/28/65/68/402286568.db2.gz YMFHNKBZEAKJRV-MRXNPFEDSA-N 1 1 310.401 2.183 50 0 DEAAMO O=C(c1cncn1-c1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839978 402286570 /nfs/dbraw/zinc/28/65/70/402286570.db2.gz YMFHNKBZEAKJRV-MRXNPFEDSA-N 1 1 310.401 2.183 50 0 DEAAMO CC1(C)NC(=O)N(CC[N@@H+](Cc2ccsc2)C2CC2)C1=O ZINC000071836942 402286713 /nfs/dbraw/zinc/28/67/13/402286713.db2.gz GUXITVOXHJAUKF-UHFFFAOYSA-N 1 1 307.419 2.043 50 0 DEAAMO COCCN1CC[C@@H](C[N@H+](C)Cc2ccc(OC)cc2C)C1 ZINC000216145439 402286738 /nfs/dbraw/zinc/28/67/38/402286738.db2.gz OQEISAFSXJNNPY-INIZCTEOSA-N 1 1 306.450 2.404 50 0 DEAAMO COCCN1CC[C@@H](C[N@@H+](C)Cc2ccc(OC)cc2C)C1 ZINC000216145439 402286742 /nfs/dbraw/zinc/28/67/42/402286742.db2.gz OQEISAFSXJNNPY-INIZCTEOSA-N 1 1 306.450 2.404 50 0 DEAAMO COCC[N@@H+]1CC[C@@H](CN(C)Cc2ccc(OC)cc2C)C1 ZINC000216145439 402286747 /nfs/dbraw/zinc/28/67/47/402286747.db2.gz OQEISAFSXJNNPY-INIZCTEOSA-N 1 1 306.450 2.404 50 0 DEAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2ccc(OC)cc2C)C1 ZINC000216145439 402286749 /nfs/dbraw/zinc/28/67/49/402286749.db2.gz OQEISAFSXJNNPY-INIZCTEOSA-N 1 1 306.450 2.404 50 0 DEAAMO O=C(c1cnn(Cc2ccccc2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839962 402287100 /nfs/dbraw/zinc/28/71/00/402287100.db2.gz GRVFGAGXJHWKEB-GOSISDBHSA-N 1 1 324.428 2.242 50 0 DEAAMO O=C(c1cnn(Cc2ccccc2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839962 402287102 /nfs/dbraw/zinc/28/71/02/402287102.db2.gz GRVFGAGXJHWKEB-GOSISDBHSA-N 1 1 324.428 2.242 50 0 DEAAMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000229388194 402343159 /nfs/dbraw/zinc/34/31/59/402343159.db2.gz FTMSSTLGTGMNTJ-HZPDHXFCSA-N 1 1 306.381 2.085 50 0 DEAAMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000229388194 402343162 /nfs/dbraw/zinc/34/31/62/402343162.db2.gz FTMSSTLGTGMNTJ-HZPDHXFCSA-N 1 1 306.381 2.085 50 0 DEAAMO CCOc1ncccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229754200 402344654 /nfs/dbraw/zinc/34/46/54/402344654.db2.gz TUYFRWNVLPCKFA-OCCSQVGLSA-N 1 1 304.394 2.229 50 0 DEAAMO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229733372 402344857 /nfs/dbraw/zinc/34/48/57/402344857.db2.gz WHWRQAVLLOSISM-CABCVRRESA-N 1 1 314.426 2.290 50 0 DEAAMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229733372 402344861 /nfs/dbraw/zinc/34/48/61/402344861.db2.gz WHWRQAVLLOSISM-CABCVRRESA-N 1 1 314.426 2.290 50 0 DEAAMO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1(C)C ZINC000230257362 402349740 /nfs/dbraw/zinc/34/97/40/402349740.db2.gz MJLLRDXWVCFBHU-BBWFWOEESA-N 1 1 321.509 2.225 50 0 DEAAMO c1ncn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244853024 402450015 /nfs/dbraw/zinc/45/00/15/402450015.db2.gz VDWZCEXFEJRFKV-HNNXBMFYSA-N 1 1 324.388 2.208 50 0 DEAAMO C[C@@H](C(=O)Nc1ccccn1)N(C)CC[N@@H+](C)C1CCCC1 ZINC000244816772 402450024 /nfs/dbraw/zinc/45/00/24/402450024.db2.gz SOBLASQLSLKOLX-AWEZNQCLSA-N 1 1 304.438 2.215 50 0 DEAAMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1cc(C)on1 ZINC000244840362 402450463 /nfs/dbraw/zinc/45/04/63/402450463.db2.gz ULSSDBRGDGDELN-AWEZNQCLSA-N 1 1 302.378 2.496 50 0 DEAAMO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000237958786 402428364 /nfs/dbraw/zinc/42/83/64/402428364.db2.gz QUMMOXHOKQLJHH-CYBMUJFWSA-N 1 1 302.353 2.169 50 0 DEAAMO CC[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCCc1nccn1C ZINC000240517128 402442048 /nfs/dbraw/zinc/44/20/48/402442048.db2.gz NVJFPZRYLJDRRJ-LBPRGKRZSA-N 1 1 321.450 2.158 50 0 DEAAMO COc1ccc(CC[N@@H+](C)Cc2cc(=O)[nH]c(C)n2)cc1OC ZINC000241081917 402442859 /nfs/dbraw/zinc/44/28/59/402442859.db2.gz YSLXLLSBQCAKBE-UHFFFAOYSA-N 1 1 317.389 2.182 50 0 DEAAMO COC[C@@H]([NH2+]Cc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000241326105 402443735 /nfs/dbraw/zinc/44/37/35/402443735.db2.gz LZHXHCMMBZALKU-MRXNPFEDSA-N 1 1 300.406 2.328 50 0 DEAAMO COc1c[nH]c(C[N@H+](C)Cc2ccc3nsnc3c2)cc1=O ZINC000244659706 402448227 /nfs/dbraw/zinc/44/82/27/402448227.db2.gz HHOXUDCBSKIEEG-UHFFFAOYSA-N 1 1 316.386 2.433 50 0 DEAAMO COc1c[nH]c(C[N@@H+](C)Cc2ccc3nsnc3c2)cc1=O ZINC000244659706 402448228 /nfs/dbraw/zinc/44/82/28/402448228.db2.gz HHOXUDCBSKIEEG-UHFFFAOYSA-N 1 1 316.386 2.433 50 0 DEAAMO COC(=O)c1sc(N[C@@H]2CC[N@H+](C(C)C)C2)nc1Cl ZINC000170641721 402510032 /nfs/dbraw/zinc/51/00/32/402510032.db2.gz CEGGNOTYWSDOLC-MRVPVSSYSA-N 1 1 303.815 2.478 50 0 DEAAMO C[NH+]1CCN(CCC(C)(C)NC(=O)CCc2cccs2)CC1 ZINC000170598529 402506390 /nfs/dbraw/zinc/50/63/90/402506390.db2.gz BMXOEJGRDJHIMG-UHFFFAOYSA-N 1 1 323.506 2.213 50 0 DEAAMO O=C(CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1cccc(F)c1 ZINC000246278554 402522596 /nfs/dbraw/zinc/52/25/96/402522596.db2.gz SSOWYENEQPUJEM-HZPDHXFCSA-N 1 1 322.380 2.034 50 0 DEAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000248053965 402581156 /nfs/dbraw/zinc/58/11/56/402581156.db2.gz RWRZHMOUEJRKMT-XMTFNYHQSA-N 1 1 312.498 2.072 50 0 DEAAMO C[N@@H+](CC(=O)N1CCc2ccccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248061304 402581663 /nfs/dbraw/zinc/58/16/63/402581663.db2.gz YYYZOHWXAGBMDX-ZTFGCOKTSA-N 1 1 314.429 2.321 50 0 DEAAMO Cc1cc(CN2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)on1 ZINC000247931312 402577888 /nfs/dbraw/zinc/57/78/88/402577888.db2.gz QMBBEWHBSXJQNK-CRAIPNDOSA-N 1 1 315.417 2.223 50 0 DEAAMO Cc1cc(CN2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)on1 ZINC000247931312 402577890 /nfs/dbraw/zinc/57/78/90/402577890.db2.gz QMBBEWHBSXJQNK-CRAIPNDOSA-N 1 1 315.417 2.223 50 0 DEAAMO COc1ccnc(C[N@@H+]2CCSC3(CCOCC3)C2)c1OC ZINC000191127613 402644222 /nfs/dbraw/zinc/64/42/22/402644222.db2.gz PRRWAZIWKCQICB-UHFFFAOYSA-N 1 1 324.446 2.197 50 0 DEAAMO COc1ccnc(C[N@H+]2CCSC3(CCOCC3)C2)c1OC ZINC000191127613 402644224 /nfs/dbraw/zinc/64/42/24/402644224.db2.gz PRRWAZIWKCQICB-UHFFFAOYSA-N 1 1 324.446 2.197 50 0 DEAAMO CN(Cc1cccs1)C(=O)C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252666260 402660286 /nfs/dbraw/zinc/66/02/86/402660286.db2.gz AWYDFFOZFZVTJI-NUEKZKHPSA-N 1 1 322.474 2.452 50 0 DEAAMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000252535971 402658376 /nfs/dbraw/zinc/65/83/76/402658376.db2.gz HIDCYNSCVWFGTE-ZVZYQTTQSA-N 1 1 323.433 2.245 50 0 DEAAMO Cc1nnc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000252584708 402658851 /nfs/dbraw/zinc/65/88/51/402658851.db2.gz CHCXEZMBUBITAK-WWGRRREGSA-N 1 1 315.421 2.334 50 0 DEAAMO CC(=O)c1ccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000252505755 402657141 /nfs/dbraw/zinc/65/71/41/402657141.db2.gz VTLKYTVUVKARKY-GOSISDBHSA-N 1 1 315.461 2.496 50 0 DEAAMO CCc1ccc([C@H]2CN(C(=O)c3cscn3)CC[NH2+]2)cc1 ZINC000252504854 402657270 /nfs/dbraw/zinc/65/72/70/402657270.db2.gz VNKMKNCBWUNHQF-CQSZACIVSA-N 1 1 301.415 2.492 50 0 DEAAMO C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 ZINC000192006090 402704039 /nfs/dbraw/zinc/70/40/39/402704039.db2.gz XVYNWBRGWOHLJS-CYBMUJFWSA-N 1 1 312.360 2.336 50 0 DEAAMO CC[C@@H](C(=O)[O-])[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191438520 402669575 /nfs/dbraw/zinc/66/95/75/402669575.db2.gz DBKSMJFZRNGOEX-LZWOXQAQSA-N 1 1 312.454 2.061 50 0 DEAAMO C[C@@H]1C[C@@H](NC(=O)NOCc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000183707899 402790192 /nfs/dbraw/zinc/79/01/92/402790192.db2.gz NQDCTUFIEAHUDT-BXUZGUMPSA-N 1 1 307.369 2.182 50 0 DEAAMO O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1COCC[NH2+]1 ZINC000195543228 402850843 /nfs/dbraw/zinc/85/08/43/402850843.db2.gz UNSXYAQFBUTPEG-KRWDZBQOSA-N 1 1 312.369 2.084 50 0 DEAAMO Cn1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000271050192 403257905 /nfs/dbraw/zinc/25/79/05/403257905.db2.gz VDXGBZTYNRETBX-CQSZACIVSA-N 1 1 314.437 2.118 50 0 DEAAMO Cn1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000271050192 403257907 /nfs/dbraw/zinc/25/79/07/403257907.db2.gz VDXGBZTYNRETBX-CQSZACIVSA-N 1 1 314.437 2.118 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cncnc2)c1 ZINC000299769196 403569829 /nfs/dbraw/zinc/56/98/29/403569829.db2.gz LLYZKCKQFIXWMH-QGZVFWFLSA-N 1 1 310.401 2.358 50 0 DEAAMO CSc1ncc(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000299776012 403572195 /nfs/dbraw/zinc/57/21/95/403572195.db2.gz MPCPXPYFDUKZOS-GFCCVEGCSA-N 1 1 320.462 2.193 50 0 DEAAMO Cc1noc(C)c1CCCNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299792770 403576701 /nfs/dbraw/zinc/57/67/01/403576701.db2.gz FSLFVZRCFCJMJD-LBPRGKRZSA-N 1 1 317.393 2.212 50 0 DEAAMO CC(C)c1noc(CCC(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC000333173267 403685228 /nfs/dbraw/zinc/68/52/28/403685228.db2.gz QJCYDCYQQLXYSV-UHFFFAOYSA-N 1 1 317.393 2.255 50 0 DEAAMO O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304321417 403780605 /nfs/dbraw/zinc/78/06/05/403780605.db2.gz IWDIWOTZZHYWPD-KURKYZTESA-N 1 1 316.445 2.318 50 0 DEAAMO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc1OC ZINC000351886373 403985206 /nfs/dbraw/zinc/98/52/06/403985206.db2.gz DUFZEPWTIULKRC-GXFFZTMASA-N 1 1 310.369 2.114 50 0 DEAAMO CN(CC[N@@H+](C)C1CC1)C(=O)c1scnc1C(F)(F)F ZINC000328592832 404111754 /nfs/dbraw/zinc/11/17/54/404111754.db2.gz HGSAGQAMNZGZHO-UHFFFAOYSA-N 1 1 307.341 2.328 50 0 DEAAMO C[N@H+]1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)ncn3)C[C@@](C)(C1)C2 ZINC000426475562 405362319 /nfs/dbraw/zinc/36/23/19/405362319.db2.gz RQZRPIJLABJJCE-JCGIZDLHSA-N 1 1 316.449 2.149 50 0 DEAAMO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)[nH]n2)CC1 ZINC000426596622 405370413 /nfs/dbraw/zinc/37/04/13/405370413.db2.gz PNXQCTLHXDHSEX-CQSZACIVSA-N 1 1 321.469 2.333 50 0 DEAAMO CCCc1ccc([C@H](C)NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000426658159 405373360 /nfs/dbraw/zinc/37/33/60/405373360.db2.gz BKVBCHZSZUIXSF-HNNXBMFYSA-N 1 1 319.449 2.020 50 0 DEAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)c1cccn1C ZINC000225426926 287176497 /nfs/dbraw/zinc/17/64/97/287176497.db2.gz ILZSCCLEMIFZQG-HUUCEWRRSA-N 1 1 321.465 2.111 50 0 DEAAMO O[C@@H](Cn1cccn1)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000239619488 225214857 /nfs/dbraw/zinc/21/48/57/225214857.db2.gz BEXNBAYDUZJYNH-IEBWSBKVSA-N 1 1 322.412 2.151 50 0 DEAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000239619488 225214860 /nfs/dbraw/zinc/21/48/60/225214860.db2.gz BEXNBAYDUZJYNH-IEBWSBKVSA-N 1 1 322.412 2.151 50 0 DEAAMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)NC[C@H]1CCCOC1 ZINC000244735124 225217573 /nfs/dbraw/zinc/21/75/73/225217573.db2.gz NTEFYDFXRQQYBZ-SJLPKXTDSA-N 1 1 316.445 2.409 50 0 DEAAMO Nc1n[nH]c([C@H]2CCC[N@@H+](CCCc3c(F)cccc3F)C2)n1 ZINC000585136624 424993192 /nfs/dbraw/zinc/99/31/92/424993192.db2.gz NFOCORBLSRMHAW-NSHDSACASA-N 1 1 321.375 2.477 50 0 DEAAMO COCCC[NH+]1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095512283 274021354 /nfs/dbraw/zinc/02/13/54/274021354.db2.gz XOXMRMIKFXAIED-KRWDZBQOSA-N 1 1 318.461 2.282 50 0 DEAAMO COC[C@@H](O)C[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000284710041 274045063 /nfs/dbraw/zinc/04/50/63/274045063.db2.gz IZJDWXFKNNFSLW-AWEZNQCLSA-N 1 1 312.841 2.168 50 0 DEAAMO COc1ccc([C@H](CO)[N@@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000071904381 274117354 /nfs/dbraw/zinc/11/73/54/274117354.db2.gz IAHOUNPJRDBEIH-ROUUACIJSA-N 1 1 301.386 2.394 50 0 DEAAMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCOCC1 ZINC000066892181 275007976 /nfs/dbraw/zinc/00/79/76/275007976.db2.gz AGLFYHLXENFGCP-MRXNPFEDSA-N 1 1 306.381 2.039 50 0 DEAAMO 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CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ncoc2C)[C@@H](C2CC2)C1 ZINC000219589087 789685579 /nfs/dbraw/zinc/68/55/79/789685579.db2.gz UFCSJWUVGAYSJR-CABCVRRESA-N 1 1 303.406 2.389 50 0 DEAAMO c1ccc2c(c1)ccnc2-c1noc(C2C[NH+]([C@H]3CCOC3)C2)n1 ZINC000952883646 792798527 /nfs/dbraw/zinc/79/85/27/792798527.db2.gz VYRRKRQJTINPHZ-AWEZNQCLSA-N 1 1 322.368 2.473 50 0 DEAAMO CC[C@H]([NH2+]Cc1cn(CCO)nc1C)c1nc(C)c(C)s1 ZINC000952964904 792813852 /nfs/dbraw/zinc/81/38/52/792813852.db2.gz OSVMFKUJUXUXTP-AWEZNQCLSA-N 1 1 308.451 2.498 50 0 DEAAMO COCCn1cnnc1C[N@H+](C)CCc1c[nH]c2ccccc12 ZINC001529101886 1070857540 /nfs/dbraw/zinc/85/75/40/1070857540.db2.gz QNCBEFMITKWUBA-UHFFFAOYSA-N 1 1 313.405 2.080 50 0 DEAAMO COCCn1cnnc1C[N@@H+](C)CCc1c[nH]c2ccccc12 ZINC001529101886 1070857566 /nfs/dbraw/zinc/85/75/66/1070857566.db2.gz QNCBEFMITKWUBA-UHFFFAOYSA-N 1 1 313.405 2.080 50 0 DEAAMO CCOc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1OC(C)C ZINC001529126311 1070869799 /nfs/dbraw/zinc/86/97/99/1070869799.db2.gz 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/nfs/dbraw/zinc/36/88/53/184368853.db2.gz LPOBDSBUMQVZID-CHWSQXEVSA-N 1 1 323.234 2.327 50 0 DEAAMO COC(=O)c1cccc(NC(=O)NCCCn2cc[nH+]c2C)c1 ZINC000065588026 184369312 /nfs/dbraw/zinc/36/93/12/184369312.db2.gz QJTJOQFIKRFRNN-UHFFFAOYSA-N 1 1 316.361 2.190 50 0 DEAAMO CC[NH+]1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000065606168 184371508 /nfs/dbraw/zinc/37/15/08/184371508.db2.gz JOIIQBLWRKNOQP-UHFFFAOYSA-N 1 1 314.389 2.189 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCn1nc(C)cc1C ZINC000069510223 184521124 /nfs/dbraw/zinc/52/11/24/184521124.db2.gz NAMHRIXGRZWQIP-SJORKVTESA-N 1 1 318.465 2.365 50 0 DEAAMO COCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000110630294 285067612 /nfs/dbraw/zinc/06/76/12/285067612.db2.gz FDNNWAVCEORMKI-OCCSQVGLSA-N 1 1 311.451 2.077 50 0 DEAAMO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1OCC(F)F ZINC000157632582 197203873 /nfs/dbraw/zinc/20/38/73/197203873.db2.gz FSLWNXJBKLNLIL-SNVBAGLBSA-N 1 1 302.346 2.240 50 0 DEAAMO CC[N@@H+](CC(=O)N(C)c1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000289827095 221252974 /nfs/dbraw/zinc/25/29/74/221252974.db2.gz OJSXOVGYNBAWMA-GFCCVEGCSA-N 1 1 311.451 2.385 50 0 DEAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000252486785 257257911 /nfs/dbraw/zinc/25/79/11/257257911.db2.gz NFPTVGPCPFUSFP-RYRKJORJSA-N 1 1 303.402 2.390 50 0 DEAAMO COC(=O)CC[N@@H+](Cc1ccccc1)Cn1nnc2ccccc21 ZINC000390822873 533414240 /nfs/dbraw/zinc/41/42/40/533414240.db2.gz MBWMEKKNZODUCZ-UHFFFAOYSA-N 1 1 324.384 2.454 50 0 DEAAMO COC(=O)CC[N@H+](Cc1ccccc1)Cn1nnc2ccccc21 ZINC000390822873 533414247 /nfs/dbraw/zinc/41/42/47/533414247.db2.gz MBWMEKKNZODUCZ-UHFFFAOYSA-N 1 1 324.384 2.454 50 0 DEAAMO Cc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)CCc1cn[nH]c1 ZINC000067743212 134837106 /nfs/dbraw/zinc/83/71/06/134837106.db2.gz FBABJDLJKGAWNY-UHFFFAOYSA-N 1 1 312.417 2.172 50 0 DEAAMO Cc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)CCc1cn[nH]c1 ZINC000067743212 134837108 /nfs/dbraw/zinc/83/71/08/134837108.db2.gz 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/nfs/dbraw/zinc/74/02/75/401740275.db2.gz LKQNRFAIENTIQD-LLVKDONJSA-N 1 1 317.414 2.306 50 0 DEAAMO Cc1[nH+]ccn1CCCN1C(=O)OC2(CCCCC2)[C@@]1(C)O ZINC000000110538 401688178 /nfs/dbraw/zinc/68/81/78/401688178.db2.gz IFCRAGSCPANQEC-OAHLLOKOSA-N 1 1 307.394 2.445 50 0 DEAAMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000071864508 401688622 /nfs/dbraw/zinc/68/86/22/401688622.db2.gz BZKVNKBTUICIPW-UONOGXRCSA-N 1 1 317.408 2.261 50 0 DEAAMO CCc1nnsc1C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000071870714 401689651 /nfs/dbraw/zinc/68/96/51/401689651.db2.gz VTKITXWISXIVLN-LLVKDONJSA-N 1 1 319.434 2.337 50 0 DEAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000071876681 401691133 /nfs/dbraw/zinc/69/11/33/401691133.db2.gz QWACPMGFXZEZFJ-RDJZCZTQSA-N 1 1 312.417 2.400 50 0 DEAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000071876681 401691135 /nfs/dbraw/zinc/69/11/35/401691135.db2.gz QWACPMGFXZEZFJ-RDJZCZTQSA-N 1 1 312.417 2.400 50 0 DEAAMO O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000071890875 401693043 /nfs/dbraw/zinc/69/30/43/401693043.db2.gz MXFMRWLJLSUSRB-RDJZCZTQSA-N 1 1 324.465 2.095 50 0 DEAAMO c1csc(-c2nnc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)c1 ZINC000071910855 401696170 /nfs/dbraw/zinc/69/61/70/401696170.db2.gz SSZXXBHTMHVBNL-LLVKDONJSA-N 1 1 321.402 2.383 50 0 DEAAMO c1csc(-c2nnc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)o2)c1 ZINC000071910855 401696173 /nfs/dbraw/zinc/69/61/73/401696173.db2.gz SSZXXBHTMHVBNL-LLVKDONJSA-N 1 1 321.402 2.383 50 0 DEAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)NCc1cccnc1 ZINC000075137027 401751774 /nfs/dbraw/zinc/75/17/74/401751774.db2.gz AUEYMVLBMJKYGS-GOSISDBHSA-N 1 1 309.413 2.405 50 0 DEAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1c1ccc(C)cc1 ZINC000077302077 401809376 /nfs/dbraw/zinc/80/93/76/401809376.db2.gz NLWVGAGUGNAUBD-RBUKOAKNSA-N 1 1 309.413 2.494 50 0 DEAAMO O=C(OCc1ccccc1)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000127969791 401757666 /nfs/dbraw/zinc/75/76/66/401757666.db2.gz TWDTXCDFIPRXGL-UHFFFAOYSA-N 1 1 316.401 2.288 50 0 DEAAMO COc1c2c(cc3c1[C@H](Cc1cc(C)[nH]n1)[N@@H+](C)CC3)OCO2 ZINC000008973478 401758318 /nfs/dbraw/zinc/75/83/18/401758318.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO COc1c2c(cc3c1[C@H](Cc1cc(C)n[nH]1)[N@H+](C)CC3)OCO2 ZINC000008973478 401758319 /nfs/dbraw/zinc/75/83/19/401758319.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO COc1c2c(cc3c1[C@H](Cc1cc(C)n[nH]1)[N@@H+](C)CC3)OCO2 ZINC000008973478 401758320 /nfs/dbraw/zinc/75/83/20/401758320.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1Cl ZINC000009483623 401763068 /nfs/dbraw/zinc/76/30/68/401763068.db2.gz AVFXHWZCJCTLBL-MJBXVCDLSA-N 1 1 321.808 2.068 50 0 DEAAMO C[N@@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@@H]1CCCO1 ZINC000075603729 401764135 /nfs/dbraw/zinc/76/41/35/401764135.db2.gz NVIGZZYRBSCWAG-GJZGRUSLSA-N 1 1 310.463 2.232 50 0 DEAAMO O=C(CC[N@H+]1CCSC[C@@H]1c1ccccc1)N1CCOCC1 ZINC000075613214 401765049 /nfs/dbraw/zinc/76/50/49/401765049.db2.gz DSWFATHUODZGNH-MRXNPFEDSA-N 1 1 320.458 2.025 50 0 DEAAMO Cc1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)c(C)c1 ZINC000010153594 401768717 /nfs/dbraw/zinc/76/87/17/401768717.db2.gz FNQYIYNJXCSCBW-JYJNAYRXSA-N 1 1 315.417 2.031 50 0 DEAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000076017774 401777455 /nfs/dbraw/zinc/77/74/55/401777455.db2.gz UGOURROCLNPOEC-JYYAWHABSA-N 1 1 304.434 2.203 50 0 DEAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)NCC(F)(F)F)[nH]n1 ZINC000012304886 401783072 /nfs/dbraw/zinc/78/30/72/401783072.db2.gz QTEYAXPLCINLQO-UHFFFAOYSA-N 1 1 315.299 2.070 50 0 DEAAMO CC(C)(CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000012569154 401788160 /nfs/dbraw/zinc/78/81/60/401788160.db2.gz RJATZACXXDJQDA-UHFFFAOYSA-N 1 1 310.825 2.110 50 0 DEAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)n(C)n1 ZINC000025359824 401833073 /nfs/dbraw/zinc/83/30/73/401833073.db2.gz ROGXIGVJPZPKHD-MRXNPFEDSA-N 1 1 312.417 2.374 50 0 DEAAMO Cc1cc(C)n(-c2ccc(NCCCn3cc[nH+]c3C)nn2)n1 ZINC000078333438 401847700 /nfs/dbraw/zinc/84/77/00/401847700.db2.gz USVYJFOUULUCDV-UHFFFAOYSA-N 1 1 311.393 2.286 50 0 DEAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](O)C1)c1cccc2ccccc21 ZINC000029597192 401857647 /nfs/dbraw/zinc/85/76/47/401857647.db2.gz FCBAHTIAGKLTMJ-GDBMZVCRSA-N 1 1 312.413 2.474 50 0 DEAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](O)C1)c1cccc2ccccc21 ZINC000029597192 401857649 /nfs/dbraw/zinc/85/76/49/401857649.db2.gz FCBAHTIAGKLTMJ-GDBMZVCRSA-N 1 1 312.413 2.474 50 0 DEAAMO CN(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000032313927 401877996 /nfs/dbraw/zinc/87/79/96/401877996.db2.gz KCEONFJOCIJNBZ-QGZVFWFLSA-N 1 1 324.428 2.277 50 0 DEAAMO CN(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000032313927 401877999 /nfs/dbraw/zinc/87/79/99/401877999.db2.gz KCEONFJOCIJNBZ-QGZVFWFLSA-N 1 1 324.428 2.277 50 0 DEAAMO Cc1cccc(F)c1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133436771 401886601 /nfs/dbraw/zinc/88/66/01/401886601.db2.gz ONLNFYDMEKFAON-AWEZNQCLSA-N 1 1 321.396 2.320 50 0 DEAAMO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000085523803 401917501 /nfs/dbraw/zinc/91/75/01/401917501.db2.gz OHUWEIPUYPVMPH-MRXNPFEDSA-N 1 1 303.406 2.310 50 0 DEAAMO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000085523803 401917503 /nfs/dbraw/zinc/91/75/03/401917503.db2.gz OHUWEIPUYPVMPH-MRXNPFEDSA-N 1 1 303.406 2.310 50 0 DEAAMO Cc1cc(C)n(-c2ccccc2CNC(=O)C[N@H+](C)C(C)C)n1 ZINC000089595806 401953500 /nfs/dbraw/zinc/95/35/00/401953500.db2.gz BKECZZWCYDXHGB-UHFFFAOYSA-N 1 1 314.433 2.446 50 0 DEAAMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N3CCCC[C@@H]3C)C2)no1 ZINC000089718257 401959321 /nfs/dbraw/zinc/95/93/21/401959321.db2.gz KWWIEEVMGOSSCZ-ZFWWWQNUSA-N 1 1 320.437 2.034 50 0 DEAAMO COc1ncccc1NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000048309699 401997867 /nfs/dbraw/zinc/99/78/67/401997867.db2.gz UXZXTXAMAZPFOY-CYBMUJFWSA-N 1 1 306.410 2.476 50 0 DEAAMO c1c2ccccc2oc1C[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000048234573 401995824 /nfs/dbraw/zinc/99/58/24/401995824.db2.gz QGNWLIVSZOFSAG-UHFFFAOYSA-N 1 1 324.384 2.349 50 0 DEAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000044869026 401948527 /nfs/dbraw/zinc/94/85/27/401948527.db2.gz DGQDSAMNJAYMBZ-CQSZACIVSA-N 1 1 319.357 2.018 50 0 DEAAMO O=C(C1CC1)N1CCC[N@@H+](CCc2ccc3c(c2)CCO3)CC1 ZINC000121261302 402024050 /nfs/dbraw/zinc/02/40/50/402024050.db2.gz HBYNTWHWPVQHDC-UHFFFAOYSA-N 1 1 314.429 2.108 50 0 DEAAMO CCc1c[nH+]c(N)nc1NCCn1nc(C(F)(F)F)cc1C ZINC000095353141 402026486 /nfs/dbraw/zinc/02/64/86/402026486.db2.gz QHHKWHUPWXEUCS-UHFFFAOYSA-N 1 1 314.315 2.257 50 0 DEAAMO CCn1nc(C)c(CCNC(=O)[C@]2(C)CCC[N@@H+](CC)C2)c1C ZINC000095354935 402027319 /nfs/dbraw/zinc/02/73/19/402027319.db2.gz SSCDUNOVYSNPRG-GOSISDBHSA-N 1 1 320.481 2.301 50 0 DEAAMO O=C1[C@H]2CC[C@H](C[N@@H+](CCOc3ccccc3)C2)N1CC1CC1 ZINC000095359940 402027809 /nfs/dbraw/zinc/02/78/09/402027809.db2.gz YDZXSPQBTQLLOY-DLBZAZTESA-N 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CCn1ccc2cc(C[N@@H+]3C[C@H](N(C)C)C[C@H]3CO)ccc21 ZINC000215218274 402281612 /nfs/dbraw/zinc/28/16/12/402281612.db2.gz KLUFCYUOJMZYAK-SJORKVTESA-N 1 1 301.434 2.158 50 0 DEAAMO CCn1ccc2cc(C[N@H+]3C[C@H](N(C)C)C[C@H]3CO)ccc21 ZINC000215218274 402281615 /nfs/dbraw/zinc/28/16/15/402281615.db2.gz KLUFCYUOJMZYAK-SJORKVTESA-N 1 1 301.434 2.158 50 0 DEAAMO CCc1ncc(CN2CCC[N@@H+](Cc3ccncc3)CC2)cn1 ZINC000215401511 402283275 /nfs/dbraw/zinc/28/32/75/402283275.db2.gz RGSQGRPMUCWVPB-UHFFFAOYSA-N 1 1 311.433 2.142 50 0 DEAAMO Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000215666285 402284264 /nfs/dbraw/zinc/28/42/64/402284264.db2.gz FDVUKOVRFCMEMB-CQSZACIVSA-N 1 1 304.438 2.249 50 0 DEAAMO CC(C)c1nccc(C[NH+]2CCC(Oc3ncccn3)CC2)n1 ZINC000215846596 402285153 /nfs/dbraw/zinc/28/51/53/402285153.db2.gz ZCTTVOYUPHEQQX-UHFFFAOYSA-N 1 1 313.405 2.433 50 0 DEAAMO C[N@@H+](Cc1cnc(NC[C@@H]2CCCO2)nc1)C1CCSCC1 ZINC000215834864 402285907 /nfs/dbraw/zinc/28/59/07/402285907.db2.gz GTBGQKUMQWRBTF-HNNXBMFYSA-N 1 1 322.478 2.395 50 0 DEAAMO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000071837396 402287021 /nfs/dbraw/zinc/28/70/21/402287021.db2.gz DHWJOVLURZMROY-UHFFFAOYSA-N 1 1 314.364 2.136 50 0 DEAAMO CCSc1nc(CC(=O)NCCn2c[nH+]c(C)c2C)cs1 ZINC000220483744 402301525 /nfs/dbraw/zinc/30/15/25/402301525.db2.gz RYGNNQYXXBHUFS-UHFFFAOYSA-N 1 1 324.475 2.427 50 0 DEAAMO O=C(c1cnco1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000221228876 402303384 /nfs/dbraw/zinc/30/33/84/402303384.db2.gz PEMJZHXRTQLITM-UHFFFAOYSA-N 1 1 311.385 2.338 50 0 DEAAMO CC[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](OCC(C)C)C2)C1 ZINC000221871302 402305026 /nfs/dbraw/zinc/30/50/26/402305026.db2.gz XUGUGRIVUIFKKW-JKSUJKDBSA-N 1 1 311.470 2.175 50 0 DEAAMO COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2C)o1 ZINC000222244884 402306608 /nfs/dbraw/zinc/30/66/08/402306608.db2.gz MMLIWKOWOUILKU-AWEZNQCLSA-N 1 1 300.358 2.075 50 0 DEAAMO COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2C)o1 ZINC000222244884 402306611 /nfs/dbraw/zinc/30/66/11/402306611.db2.gz MMLIWKOWOUILKU-AWEZNQCLSA-N 1 1 300.358 2.075 50 0 DEAAMO CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229306816 402341755 /nfs/dbraw/zinc/34/17/55/402341755.db2.gz YKEAEIRXDQAFSU-HOTGVXAUSA-N 1 1 319.497 2.326 50 0 DEAAMO CC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000229386780 402343008 /nfs/dbraw/zinc/34/30/08/402343008.db2.gz YNBUTMPBUJLDIQ-SJORKVTESA-N 1 1 316.401 2.011 50 0 DEAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)COC2CCCC2)C[C@H](C)O1 ZINC000229687408 402344900 /nfs/dbraw/zinc/34/49/00/402344900.db2.gz OCLIXXNNNMMTEX-OWCLPIDISA-N 1 1 324.465 2.046 50 0 DEAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)COC2CCCC2)C[C@H](C)O1 ZINC000229687408 402344902 /nfs/dbraw/zinc/34/49/02/402344902.db2.gz OCLIXXNNNMMTEX-OWCLPIDISA-N 1 1 324.465 2.046 50 0 DEAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCc2ccccn2)C1 ZINC000229960543 402346097 /nfs/dbraw/zinc/34/60/97/402346097.db2.gz OAFQSVRBGNFXKJ-DOTOQJQBSA-N 1 1 301.434 2.347 50 0 DEAAMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCOC)c1C ZINC000244773703 402449416 /nfs/dbraw/zinc/44/94/16/402449416.db2.gz PEYMFRZGIDLSIH-HNNXBMFYSA-N 1 1 322.453 2.349 50 0 DEAAMO CCn1nc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2CCOC)c1C ZINC000244773703 402449417 /nfs/dbraw/zinc/44/94/17/402449417.db2.gz PEYMFRZGIDLSIH-HNNXBMFYSA-N 1 1 322.453 2.349 50 0 DEAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](CCC(=O)Nc3cccnc3)C2)n1 ZINC000244794734 402449443 /nfs/dbraw/zinc/44/94/43/402449443.db2.gz QSMSVHJDGLFHKN-MRXNPFEDSA-N 1 1 313.405 2.171 50 0 DEAAMO COc1ccccc1CNC(=O)CC[N@@H+](C)Cc1ccoc1 ZINC000244828554 402450033 /nfs/dbraw/zinc/45/00/33/402450033.db2.gz TYHCSYAXRSNHBS-UHFFFAOYSA-N 1 1 302.374 2.427 50 0 DEAAMO Cc1cncc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000241383139 402443408 /nfs/dbraw/zinc/44/34/08/402443408.db2.gz MSUXTCSVUAYWQW-IAGOWNOFSA-N 1 1 300.406 2.212 50 0 DEAAMO O[C@H]1C[C@@H](c2cc(N3CCC[N@H+](C4CCCC4)CC3)ncn2)C1 ZINC000244701154 402447882 /nfs/dbraw/zinc/44/78/82/402447882.db2.gz KBEJQHQJTCYCKG-FZNQNYSPSA-N 1 1 316.449 2.170 50 0 DEAAMO COC(=O)c1sc(N[C@H]2CC[N@H+](C(C)C)C2)nc1Cl ZINC000170641719 402509708 /nfs/dbraw/zinc/50/97/08/402509708.db2.gz CEGGNOTYWSDOLC-QMMMGPOBSA-N 1 1 303.815 2.478 50 0 DEAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000248097453 402582178 /nfs/dbraw/zinc/58/21/78/402582178.db2.gz DEVDELGKFXSWCX-IAGOWNOFSA-N 1 1 312.417 2.191 50 0 DEAAMO CC(C)Cc1noc([C@H]2CCC[N@@H+](CCc3cn[nH]c3)C2)n1 ZINC000252490446 402655262 /nfs/dbraw/zinc/65/52/62/402655262.db2.gz KTQCDYCRGVJNKD-AWEZNQCLSA-N 1 1 303.410 2.413 50 0 DEAAMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280230626 402978130 /nfs/dbraw/zinc/97/81/30/402978130.db2.gz MIOFAHAWPUSIDB-JTQLQIEISA-N 1 1 307.781 2.013 50 0 DEAAMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280230626 402978132 /nfs/dbraw/zinc/97/81/32/402978132.db2.gz MIOFAHAWPUSIDB-JTQLQIEISA-N 1 1 307.781 2.013 50 0 DEAAMO CNc1nc(NCc2ncc(Cl)cn2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299767277 403569673 /nfs/dbraw/zinc/56/96/73/403569673.db2.gz JKKMSMUTLNMMRL-SECBINFHSA-N 1 1 320.784 2.078 50 0 DEAAMO Cc1[nH+]ccn1CCC(=O)NC(C)(C)Cc1ccc(O)cc1 ZINC000299778353 403572170 /nfs/dbraw/zinc/57/21/70/403572170.db2.gz MNOFFEXXTVXHOZ-UHFFFAOYSA-N 1 1 301.390 2.425 50 0 DEAAMO FC1(F)CCC(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)CC1 ZINC000299785490 403574534 /nfs/dbraw/zinc/57/45/34/403574534.db2.gz SEXRJOWXHZFPBK-KBPBESRZSA-N 1 1 312.364 2.249 50 0 DEAAMO CN(C(=O)NCc1cc2cc(F)ccc2[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000426567089 405368931 /nfs/dbraw/zinc/36/89/31/405368931.db2.gz OQDAAPRKTWVOOF-CQSZACIVSA-N 1 1 304.369 2.153 50 0 DEAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(N(C)C)nc3)[C@H]2C1 ZINC000426622927 405371251 /nfs/dbraw/zinc/37/12/51/405371251.db2.gz KXWIPUPFMMBIHU-XYJFISCASA-N 1 1 319.449 2.306 50 0 DEAAMO C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000585115647 405870697 /nfs/dbraw/zinc/87/06/97/405870697.db2.gz LSOXMSVJJIKVEH-GFCCVEGCSA-N 1 1 314.426 2.243 50 0 DEAAMO C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000585132358 405875170 /nfs/dbraw/zinc/87/51/70/405875170.db2.gz UVALFJZCGGTJAN-KRWDZBQOSA-N 1 1 318.461 2.170 50 0 DEAAMO CNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132963542 196300089 /nfs/dbraw/zinc/30/00/89/196300089.db2.gz PVTHSBHWRCNUJH-SNVBAGLBSA-N 1 1 303.189 2.193 50 0 DEAAMO CNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132963542 196300090 /nfs/dbraw/zinc/30/00/90/196300090.db2.gz PVTHSBHWRCNUJH-SNVBAGLBSA-N 1 1 303.189 2.193 50 0 DEAAMO NC(=O)c1ccc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)nc1 ZINC000534643525 421694237 /nfs/dbraw/zinc/69/42/37/421694237.db2.gz XAVPWVRALWBPIG-CYBMUJFWSA-N 1 1 302.422 2.247 50 0 DEAAMO CC1([C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)OCCO1 ZINC000108497265 424851603 /nfs/dbraw/zinc/85/16/03/424851603.db2.gz BSXVUZBTKWPDCA-XJKSGUPXSA-N 1 1 309.381 2.334 50 0 DEAAMO CCC[N@H+]1CCCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106798690 424850369 /nfs/dbraw/zinc/85/03/69/424850369.db2.gz ZLVJYISCHKXPCB-YESZJQIVSA-N 1 1 309.498 2.297 50 0 DEAAMO c1ccc2c(c1)Cc1c(ncnc1N1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000225328654 275070713 /nfs/dbraw/zinc/07/07/13/275070713.db2.gz BFDCIMHFSDIJOW-HNNXBMFYSA-N 1 1 322.412 2.244 50 0 DEAAMO C[N@H+]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000008178088 277052620 /nfs/dbraw/zinc/05/26/20/277052620.db2.gz GRPHXBFGQMYZKT-UHFFFAOYSA-N 1 1 318.808 2.028 50 0 DEAAMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684280 289242899 /nfs/dbraw/zinc/24/28/99/289242899.db2.gz KLCKUMOFHHKUHW-UKRRQHHQSA-N 1 1 318.417 2.462 50 0 DEAAMO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](C)C3)c(C)c1 ZINC000091706395 301197339 /nfs/dbraw/zinc/19/73/39/301197339.db2.gz FYIRHEXOOYHIFL-HZPDHXFCSA-N 1 1 322.474 2.327 50 0 DEAAMO Cc1c[nH]c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000534672406 334321031 /nfs/dbraw/zinc/32/10/31/334321031.db2.gz QKKNKFRFAKUSKM-GFCCVEGCSA-N 1 1 304.369 2.166 50 0 DEAAMO Cc1c[nH]c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000534672406 334321032 /nfs/dbraw/zinc/32/10/32/334321032.db2.gz QKKNKFRFAKUSKM-GFCCVEGCSA-N 1 1 304.369 2.166 50 0 DEAAMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C)C2)cc(OC)c1 ZINC000240668443 533824863 /nfs/dbraw/zinc/82/48/63/533824863.db2.gz HNAFYOWDTXBJKQ-IFIJOSMWSA-N 1 1 318.417 2.050 50 0 DEAAMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C)C2)cc(OC)c1 ZINC000240668443 533824871 /nfs/dbraw/zinc/82/48/71/533824871.db2.gz HNAFYOWDTXBJKQ-IFIJOSMWSA-N 1 1 318.417 2.050 50 0 DEAAMO CCOCC[N@H+]1CCN(CCOc2cccc(C)c2)C[C@H]1C ZINC000247377884 528750578 /nfs/dbraw/zinc/75/05/78/528750578.db2.gz VNJXLQXYMRDIMV-QGZVFWFLSA-N 1 1 306.450 2.416 50 0 DEAAMO CCOCCN1CC[N@H+](CCOc2cccc(C)c2)C[C@H]1C ZINC000247377884 528750583 /nfs/dbraw/zinc/75/05/83/528750583.db2.gz VNJXLQXYMRDIMV-QGZVFWFLSA-N 1 1 306.450 2.416 50 0 DEAAMO CCOCCN1CC[N@@H+](CCOc2cccc(C)c2)C[C@H]1C ZINC000247377884 528750588 /nfs/dbraw/zinc/75/05/88/528750588.db2.gz VNJXLQXYMRDIMV-QGZVFWFLSA-N 1 1 306.450 2.416 50 0 DEAAMO CCOCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000372584722 535496361 /nfs/dbraw/zinc/49/63/61/535496361.db2.gz ILHSDCBVNGYBQN-VQFNDLOPSA-N 1 1 302.418 2.050 50 0 DEAAMO CCn1nnc(C)c1CN[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000449251692 535917811 /nfs/dbraw/zinc/91/78/11/535917811.db2.gz SIHLEJZJSWGITA-RHSMWYFYSA-N 1 1 301.438 2.387 50 0 DEAAMO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154234514 647949260 /nfs/dbraw/zinc/94/92/60/647949260.db2.gz VMWAPDPIUILJTE-HNNXBMFYSA-N 1 1 321.417 2.080 50 0 DEAAMO CCOc1ccc(OC[C@@H](O)C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154234514 647949265 /nfs/dbraw/zinc/94/92/65/647949265.db2.gz VMWAPDPIUILJTE-HNNXBMFYSA-N 1 1 321.417 2.080 50 0 DEAAMO Nc1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000019147544 683858107 /nfs/dbraw/zinc/85/81/07/683858107.db2.gz PDERTZSTNWZCNZ-KRWDZBQOSA-N 1 1 324.428 2.101 50 0 DEAAMO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2-c2nnc[nH]2)CC1 ZINC000072174260 683928708 /nfs/dbraw/zinc/92/87/08/683928708.db2.gz 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C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(O)CC1 ZINC000045569521 401958716 /nfs/dbraw/zinc/95/87/16/401958716.db2.gz SVIMHCPSBJLORX-JTQLQIEISA-N 1 1 316.323 2.489 50 0 DEAAMO CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1 ZINC000047959104 401991446 /nfs/dbraw/zinc/99/14/46/401991446.db2.gz UUVFMVTWPDPNJG-UHFFFAOYSA-N 1 1 323.824 2.492 50 0 DEAAMO O=C1N(C2CCCC2)CCC[C@]12CC[N@@H+](Cc1cnc[nH]1)C2 ZINC000091412337 401996635 /nfs/dbraw/zinc/99/66/35/401996635.db2.gz OZMWFKOYXICQBK-QGZVFWFLSA-N 1 1 302.422 2.167 50 0 DEAAMO O=C1N(C2CCCC2)CCC[C@]12CC[N@H+](Cc1c[nH]cn1)C2 ZINC000091412337 401996638 /nfs/dbraw/zinc/99/66/38/401996638.db2.gz OZMWFKOYXICQBK-QGZVFWFLSA-N 1 1 302.422 2.167 50 0 DEAAMO O=C1N(C2CCCC2)CCC[C@]12CC[N@@H+](Cc1c[nH]cn1)C2 ZINC000091412337 401996641 /nfs/dbraw/zinc/99/66/41/401996641.db2.gz OZMWFKOYXICQBK-QGZVFWFLSA-N 1 1 302.422 2.167 50 0 DEAAMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](O)C3)n2)cc1 ZINC000044871584 401948621 /nfs/dbraw/zinc/94/86/21/401948621.db2.gz 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/nfs/dbraw/zinc/03/67/67/402036767.db2.gz XZCKJJFFGFGKRU-CQSZACIVSA-N 1 1 304.394 2.251 50 0 DEAAMO CCNC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000095956515 402036769 /nfs/dbraw/zinc/03/67/69/402036769.db2.gz XZCKJJFFGFGKRU-CQSZACIVSA-N 1 1 304.394 2.251 50 0 DEAAMO CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)O2 ZINC000095990387 402043949 /nfs/dbraw/zinc/04/39/49/402043949.db2.gz IQCPJOZVJMPGNB-ZWEVUMDMSA-N 1 1 318.417 2.124 50 0 DEAAMO CCOC(=O)c1cnn([C@H]2CCC[N@H+](Cc3cncs3)C2)c1 ZINC000095999632 402045441 /nfs/dbraw/zinc/04/54/41/402045441.db2.gz REYPTCVXNFETMS-ZDUSSCGKSA-N 1 1 320.418 2.353 50 0 DEAAMO CCOC(=O)c1cnn([C@H]2CCC[N@@H+](Cc3cncs3)C2)c1 ZINC000095999632 402045443 /nfs/dbraw/zinc/04/54/43/402045443.db2.gz REYPTCVXNFETMS-ZDUSSCGKSA-N 1 1 320.418 2.353 50 0 DEAAMO O=C(CC1CCCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000096006295 402045731 /nfs/dbraw/zinc/04/57/31/402045731.db2.gz HYMHJAMCIVAMMU-GOSISDBHSA-N 1 1 316.445 2.450 50 0 DEAAMO 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185368549 /nfs/dbraw/zinc/36/85/49/185368549.db2.gz LMXCSVHOAPXFTI-RHSMWYFYSA-N 1 1 316.401 2.394 50 0 DEAAMO C[C@H](C(=O)Nc1ccnn1-c1cc[nH+]cc1)C1CCOCC1 ZINC000095439963 185365995 /nfs/dbraw/zinc/36/59/95/185365995.db2.gz JQXRZQKYLCKRKX-LBPRGKRZSA-N 1 1 300.362 2.269 50 0 DEAAMO Cc1[nH]c2ccccc2c1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000097020315 185398233 /nfs/dbraw/zinc/39/82/33/185398233.db2.gz AJSMKONKSDKVTK-UHFFFAOYSA-N 1 1 323.400 2.172 50 0 DEAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CCc3ccccn3)C2)o1 ZINC000084258887 539394399 /nfs/dbraw/zinc/39/43/99/539394399.db2.gz NZYDJXOSBJEGJL-INIZCTEOSA-N 1 1 300.406 2.127 50 0 DEAAMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cc1cccc2ccccc21 ZINC000084598386 539396386 /nfs/dbraw/zinc/39/63/86/539396386.db2.gz VMUNMAZBFANLIN-HNNXBMFYSA-N 1 1 311.385 2.042 50 0 DEAAMO C[N@H+](Cc1nc(-c2cccnc2)no1)[C@H]1Cc2ccccc2[C@H]1O ZINC000242389427 530021325 /nfs/dbraw/zinc/02/13/25/530021325.db2.gz ZXENLRPBABTEOU-DOTOQJQBSA-N 1 1 322.368 2.222 50 0 DEAAMO C[N@@H+](Cc1nc(-c2cccnc2)no1)[C@H]1Cc2ccccc2[C@H]1O ZINC000242389427 530021326 /nfs/dbraw/zinc/02/13/26/530021326.db2.gz ZXENLRPBABTEOU-DOTOQJQBSA-N 1 1 322.368 2.222 50 0 DEAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnsn2)[C@H]1c1cccs1 ZINC000247412557 530054972 /nfs/dbraw/zinc/05/49/72/530054972.db2.gz NILKWJARXKZRNY-GWCFXTLKSA-N 1 1 322.459 2.413 50 0 DEAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)on1 ZINC000229386069 201834038 /nfs/dbraw/zinc/83/40/38/201834038.db2.gz LAPOVHORYHTNJT-YPMHNXCESA-N 1 1 301.346 2.291 50 0 DEAAMO CC[NH+]1CCN(C(=O)c2nnsc2-c2ccc(C)cc2)CC1 ZINC000071195329 190940003 /nfs/dbraw/zinc/94/00/03/190940003.db2.gz IHCKHCSYZRVWMH-UHFFFAOYSA-N 1 1 316.430 2.291 50 0 DEAAMO CCc1cccc(NC(=O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185102216 539670215 /nfs/dbraw/zinc/67/02/15/539670215.db2.gz XOEMORWMQXOMSR-OAHLLOKOSA-N 1 1 302.374 2.494 50 0 DEAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(N)n1 ZINC000220066000 539727964 /nfs/dbraw/zinc/72/79/64/539727964.db2.gz ZRKIVAUBUNELJV-CQSZACIVSA-N 1 1 313.405 2.254 50 0 DEAAMO COc1ccc(C[N@@H+]2CCCn3nc(CO)cc3C2)c(C)c1C ZINC000219328640 539727224 /nfs/dbraw/zinc/72/72/24/539727224.db2.gz ISPSUWITUZQHJA-UHFFFAOYSA-N 1 1 315.417 2.407 50 0 DEAAMO COc1ccc(C[N@H+]2CCCn3nc(CO)cc3C2)c(C)c1C ZINC000219328640 539727226 /nfs/dbraw/zinc/72/72/26/539727226.db2.gz ISPSUWITUZQHJA-UHFFFAOYSA-N 1 1 315.417 2.407 50 0 DEAAMO CCCc1nc2c(cnn2C)c(N(C)C[C@@H]2CCCC[N@H+]2C)n1 ZINC000072165594 191065308 /nfs/dbraw/zinc/06/53/08/191065308.db2.gz IRKHAPLJVQSNDR-ZDUSSCGKSA-N 1 1 316.453 2.236 50 0 DEAAMO COc1cccc([C@@H]2CCCC[N@H+]2CCCn2cnnn2)c1 ZINC000072168894 191068453 /nfs/dbraw/zinc/06/84/53/191068453.db2.gz OQWUCBJSQBMVEU-INIZCTEOSA-N 1 1 301.394 2.299 50 0 DEAAMO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288749 /nfs/dbraw/zinc/28/87/49/186288749.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 1 1 320.477 2.370 50 0 DEAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310030 191118575 /nfs/dbraw/zinc/11/85/75/191118575.db2.gz FTMSSTLGTGMNTJ-HOTGVXAUSA-N 1 1 306.381 2.085 50 0 DEAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310030 191118577 /nfs/dbraw/zinc/11/85/77/191118577.db2.gz FTMSSTLGTGMNTJ-HOTGVXAUSA-N 1 1 306.381 2.085 50 0 DEAAMO Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072418199 191157399 /nfs/dbraw/zinc/15/73/99/191157399.db2.gz SGJZASHDCBRSCH-KRWDZBQOSA-N 1 1 304.390 2.426 50 0 DEAAMO Cc1[nH]c2c(cccc2C[N@@H+]2CC[C@@](O)(CN(C)C)C2)c1C ZINC000072434506 191166296 /nfs/dbraw/zinc/16/62/96/191166296.db2.gz WINKWKWHOOFERT-GOSISDBHSA-N 1 1 301.434 2.283 50 0 DEAAMO Cc1[nH]c2c(cccc2CN2CC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000072434506 191166298 /nfs/dbraw/zinc/16/62/98/191166298.db2.gz WINKWKWHOOFERT-GOSISDBHSA-N 1 1 301.434 2.283 50 0 DEAAMO Nc1ncccc1C[N@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072463108 191172204 /nfs/dbraw/zinc/17/22/04/191172204.db2.gz FDIRULZHCDFRIR-UHFFFAOYSA-N 1 1 324.432 2.089 50 0 DEAAMO CN(C(=O)c1ccc(CCC(C)(C)O)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000072476657 191178308 /nfs/dbraw/zinc/17/83/08/191178308.db2.gz QDZBLEAMCQSVAK-INIZCTEOSA-N 1 1 304.434 2.166 50 0 DEAAMO CN1CC[NH+](CCOCCOc2cccc3ccccc32)CC1 ZINC000022937505 354056840 /nfs/dbraw/zinc/05/68/40/354056840.db2.gz HMUBIUZFSFGCOK-UHFFFAOYSA-N 1 1 314.429 2.483 50 0 DEAAMO COc1c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(C)nn1C ZINC000075094558 355068264 /nfs/dbraw/zinc/06/82/64/355068264.db2.gz JUUOAJIJHRKTIY-CYBMUJFWSA-N 1 1 320.437 2.330 50 0 DEAAMO CS[C@H]1CC[C@H]([N@H+](C)Cc2nnnn2-c2ccccc2)C1 ZINC000075919092 355114491 /nfs/dbraw/zinc/11/44/91/355114491.db2.gz NAIKIFJXBFJPGC-KBPBESRZSA-N 1 1 303.435 2.378 50 0 DEAAMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2nnnn2-c2ccccc2)C1 ZINC000075919092 355114494 /nfs/dbraw/zinc/11/44/94/355114494.db2.gz NAIKIFJXBFJPGC-KBPBESRZSA-N 1 1 303.435 2.378 50 0 DEAAMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC000075681183 355102066 /nfs/dbraw/zinc/10/20/66/355102066.db2.gz 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/nfs/dbraw/zinc/06/25/42/402062542.db2.gz PQKLMJBYBVXSKK-ISOUWHGUSA-N 1 1 320.477 2.382 50 0 DEAAMO CCCCc1nc(NCCNC(=O)c2ncoc2C)cc(C)[nH+]1 ZINC000097532562 402126900 /nfs/dbraw/zinc/12/69/00/402126900.db2.gz QAPWGEANDNMTGG-UHFFFAOYSA-N 1 1 317.393 2.266 50 0 DEAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000097594823 402127401 /nfs/dbraw/zinc/12/74/01/402127401.db2.gz MVKLPYFHQJSDFG-CABCVRRESA-N 1 1 311.385 2.442 50 0 DEAAMO COc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000097667668 402129225 /nfs/dbraw/zinc/12/92/25/402129225.db2.gz QWEXALFXQVKOHB-CHWSQXEVSA-N 1 1 306.406 2.251 50 0 DEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2ccccn12 ZINC000098055873 402135206 /nfs/dbraw/zinc/13/52/06/402135206.db2.gz LFWGCERQASXZBZ-ZHRWSRJISA-N 1 1 318.808 2.163 50 0 DEAAMO CCC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000067934132 402178837 /nfs/dbraw/zinc/17/88/37/402178837.db2.gz AHDTVZCFBOFRMP-OAHLLOKOSA-N 1 1 318.417 2.196 50 0 DEAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2noc3ccccc23)C1 ZINC000067934598 402179290 /nfs/dbraw/zinc/17/92/90/402179290.db2.gz PAISRCSSQXVZKQ-AWEZNQCLSA-N 1 1 315.417 2.464 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000103980524 402196013 /nfs/dbraw/zinc/19/60/13/402196013.db2.gz PVCDTUDWWYONGC-OLZOCXBDSA-N 1 1 324.446 2.028 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000103980524 402196016 /nfs/dbraw/zinc/19/60/16/402196016.db2.gz PVCDTUDWWYONGC-OLZOCXBDSA-N 1 1 324.446 2.028 50 0 DEAAMO CC(C)=CC[N@H+]1CCC[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000067458576 402160020 /nfs/dbraw/zinc/16/00/20/402160020.db2.gz GQKNAXHUDNVBNM-CQSZACIVSA-N 1 1 300.468 2.137 50 0 DEAAMO Nc1nc(NCc2cccnc2-n2cnc3ccccc32)cc[nH+]1 ZINC000067742646 402170971 /nfs/dbraw/zinc/17/09/71/402170971.db2.gz PEGHUQCLHXIPFM-UHFFFAOYSA-N 1 1 317.356 2.405 50 0 DEAAMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2NCc2ccccn2)C1 ZINC000067772689 402172588 /nfs/dbraw/zinc/17/25/88/402172588.db2.gz 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Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nc(-c3ccccn3)no2)c1 ZINC000069629478 402235957 /nfs/dbraw/zinc/23/59/57/402235957.db2.gz GCTRVPVJFFUZQZ-CHWSQXEVSA-N 1 1 312.377 2.376 50 0 DEAAMO CC(C)(C)NC(=O)NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069698158 402239182 /nfs/dbraw/zinc/23/91/82/402239182.db2.gz TXGRUIGDZIWBQY-OAHLLOKOSA-N 1 1 317.433 2.490 50 0 DEAAMO Cc1cccn2cc(C[N@@H+]3CCCC[C@H]3Cn3cncn3)nc12 ZINC000069709354 402240341 /nfs/dbraw/zinc/24/03/41/402240341.db2.gz MHDVKAPZCXJPTL-INIZCTEOSA-N 1 1 310.405 2.289 50 0 DEAAMO Cc1cccn2cc(C[N@H+]3CCCC[C@H]3Cn3cncn3)nc12 ZINC000069709354 402240342 /nfs/dbraw/zinc/24/03/42/402240342.db2.gz MHDVKAPZCXJPTL-INIZCTEOSA-N 1 1 310.405 2.289 50 0 DEAAMO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1nc(-c2cccs2)no1 ZINC000069737441 402241424 /nfs/dbraw/zinc/24/14/24/402241424.db2.gz ISAGUPGIYABCGK-ZJUUUORDSA-N 1 1 316.390 2.055 50 0 DEAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000069742047 402242330 /nfs/dbraw/zinc/24/23/30/402242330.db2.gz 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/nfs/dbraw/zinc/25/58/47/402255847.db2.gz FNNMSBAFNWGBNP-AWEZNQCLSA-N 1 1 303.406 2.370 50 0 DEAAMO CCNC(=O)[C@H]1CC[N@@H+](CCOC)[C@H]1c1ccc(Cl)cc1 ZINC000105833907 402209411 /nfs/dbraw/zinc/20/94/11/402209411.db2.gz DQPBOCTZDDRXQA-GJZGRUSLSA-N 1 1 310.825 2.486 50 0 DEAAMO COc1ccc(F)cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000069029994 402211531 /nfs/dbraw/zinc/21/15/31/402211531.db2.gz PQTMDOVEBXDRGW-UHFFFAOYSA-N 1 1 322.424 2.379 50 0 DEAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(F)cc2)cn1 ZINC000071797256 402278893 /nfs/dbraw/zinc/27/88/93/402278893.db2.gz LKKONDNOLIQLRT-DOTOQJQBSA-N 1 1 319.380 2.136 50 0 DEAAMO COCCN1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000071817184 402280561 /nfs/dbraw/zinc/28/05/61/402280561.db2.gz NHBPLIDAIDXELD-UHFFFAOYSA-N 1 1 303.406 2.024 50 0 DEAAMO C[N@@H+](CCCN1CCOCC1)Cc1ccc(OC(F)F)cc1 ZINC000071823540 402282477 /nfs/dbraw/zinc/28/24/77/402282477.db2.gz VBUAKUHMQYNXOZ-UHFFFAOYSA-N 1 1 314.376 2.442 50 0 DEAAMO C[C@@H]1C[N@H+](C2CCN(c3ncnc4sccc43)CC2)CCO1 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C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1nc(C2CC2)no1 ZINC000071859714 402289273 /nfs/dbraw/zinc/28/92/73/402289273.db2.gz WFZAFDKKUGECEI-AAEUAGOBSA-N 1 1 314.393 2.057 50 0 DEAAMO C[C@@H](O)C[N@H+]1CCN(c2ccnc(-c3ccccc3)n2)C[C@@H]1C ZINC000071859504 402289515 /nfs/dbraw/zinc/28/95/15/402289515.db2.gz CGQMUTQSLZOPMH-LSDHHAIUSA-N 1 1 312.417 2.035 50 0 DEAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000222486912 402307242 /nfs/dbraw/zinc/30/72/42/402307242.db2.gz MKNQFULDXRMZPN-RYUDHWBXSA-N 1 1 317.216 2.442 50 0 DEAAMO CCc1[nH+]ccn1CCNC(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000222663810 402308192 /nfs/dbraw/zinc/30/81/92/402308192.db2.gz FLHHURAZOLAYKG-UHFFFAOYSA-N 1 1 302.378 2.023 50 0 DEAAMO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000229518184 402343569 /nfs/dbraw/zinc/34/35/69/402343569.db2.gz OBABGPYQYMQHHZ-YQQAZPJKSA-N 1 1 317.433 2.104 50 0 DEAAMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000229698811 402344445 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184354285 /nfs/dbraw/zinc/35/42/85/184354285.db2.gz OGWAYYNODBKGDD-OLZOCXBDSA-N 1 1 324.396 2.134 50 0 DEAAMO Cc1nc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCC2)cs1 ZINC000065398363 184336412 /nfs/dbraw/zinc/33/64/12/184336412.db2.gz JULWVEQQPIPGIH-OAHLLOKOSA-N 1 1 316.430 2.413 50 0 DEAAMO CC[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065526749 184359626 /nfs/dbraw/zinc/35/96/26/184359626.db2.gz ZBUDZWHZZLQDPD-OAHLLOKOSA-N 1 1 304.438 2.203 50 0 DEAAMO CCN(CC)c1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cn1 ZINC000065535747 184362402 /nfs/dbraw/zinc/36/24/02/184362402.db2.gz HCRYRWJXBBTJGT-UHFFFAOYSA-N 1 1 307.442 2.390 50 0 DEAAMO COc1ccc(-c2nnc(C[NH2+][C@H](C)Cn3cccn3)o2)cc1 ZINC000065608503 184372783 /nfs/dbraw/zinc/37/27/83/184372783.db2.gz QQHWYQTVUUQILE-GFCCVEGCSA-N 1 1 313.361 2.120 50 0 DEAAMO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000065623875 184374792 /nfs/dbraw/zinc/37/47/92/184374792.db2.gz ZWTRVTTVPPGWDK-IAGOWNOFSA-N 1 1 320.481 2.133 50 0 DEAAMO CC1(C)OC(=O)C([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)C(=O)O1 ZINC000004090060 401725597 /nfs/dbraw/zinc/72/55/97/401725597.db2.gz YAGTTYHRTUXBEZ-AWEZNQCLSA-N 1 1 314.341 2.434 50 0 biogenic DEAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000007447217 401740346 /nfs/dbraw/zinc/74/03/46/401740346.db2.gz FJOHMFSWJAUUJJ-LLVKDONJSA-N 1 1 320.780 2.087 50 0 DEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000007447217 401740348 /nfs/dbraw/zinc/74/03/48/401740348.db2.gz FJOHMFSWJAUUJJ-LLVKDONJSA-N 1 1 320.780 2.087 50 0 DEAAMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C(N)=O)CC1 ZINC000007910969 401745904 /nfs/dbraw/zinc/74/59/04/401745904.db2.gz CKBDJAXXIFTJBN-VIFPVBQESA-N 1 1 306.391 2.056 50 0 DEAAMO C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1nc(C2CC2)no1 ZINC000071859917 401688766 /nfs/dbraw/zinc/68/87/66/401688766.db2.gz DCHWHCGTEYWMPS-DGCLKSJQSA-N 1 1 314.393 2.057 50 0 DEAAMO C[C@@H](O)C[N@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C ZINC000071864372 401688855 /nfs/dbraw/zinc/68/88/55/401688855.db2.gz FXGBWBNRDVKSNR-LSDHHAIUSA-N 1 1 315.417 2.229 50 0 DEAAMO COc1ccc(CC[N@H+]2CCCC[C@H]2Cn2cncn2)cc1 ZINC000071876228 401690020 /nfs/dbraw/zinc/69/00/20/401690020.db2.gz JAFLYSLPMOTPLO-INIZCTEOSA-N 1 1 300.406 2.384 50 0 DEAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC[S@@](=O)c2ccccc2)c1 ZINC000071875928 401690030 /nfs/dbraw/zinc/69/00/30/401690030.db2.gz MYSXUYSOOXTAIO-ZHRRBRCNSA-N 1 1 317.458 2.464 50 0 DEAAMO O[C@H](C[N@H+]1CCCC[C@@H]1Cn1cncn1)c1cc(F)ccc1F ZINC000071876382 401690828 /nfs/dbraw/zinc/69/08/28/401690828.db2.gz VAQZPTQSANZBQO-CZUORRHYSA-N 1 1 322.359 2.144 50 0 DEAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000000217937 401691395 /nfs/dbraw/zinc/69/13/95/401691395.db2.gz ZJLHBEFIDQBNHU-SNVBAGLBSA-N 1 1 315.186 2.286 50 0 DEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000000217937 401691397 /nfs/dbraw/zinc/69/13/97/401691397.db2.gz ZJLHBEFIDQBNHU-SNVBAGLBSA-N 1 1 315.186 2.286 50 0 DEAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000000240448 401691895 /nfs/dbraw/zinc/69/18/95/401691895.db2.gz TWINAQGAIHIRHU-HNNXBMFYSA-N 1 1 318.417 2.496 50 0 DEAAMO Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000071883810 401692300 /nfs/dbraw/zinc/69/23/00/401692300.db2.gz BAZZTLFVPBLMLQ-CQSZACIVSA-N 1 1 315.417 2.067 50 0 DEAAMO CCC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)C[C@@H]1CCCCO1 ZINC000071908269 401695321 /nfs/dbraw/zinc/69/53/21/401695321.db2.gz KXHVAYVMWNHXTP-AWEZNQCLSA-N 1 1 308.426 2.246 50 0 DEAAMO CCC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)C[C@@H]1CCCCO1 ZINC000071908269 401695323 /nfs/dbraw/zinc/69/53/23/401695323.db2.gz KXHVAYVMWNHXTP-AWEZNQCLSA-N 1 1 308.426 2.246 50 0 DEAAMO Cc1cc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000071905643 401695687 /nfs/dbraw/zinc/69/56/87/401695687.db2.gz RMXISQKWWCMNJP-UHFFFAOYSA-N 1 1 323.506 2.368 50 0 DEAAMO OC[C@H]1CCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000071920948 401697340 /nfs/dbraw/zinc/69/73/40/401697340.db2.gz RWLZUQSTUDEGQZ-CYBMUJFWSA-N 1 1 307.781 2.389 50 0 DEAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2[C@H](C(N)=O)c2ccccc2)c1 ZINC000072253307 401704243 /nfs/dbraw/zinc/70/42/43/401704243.db2.gz WMFJRRJGLOWFBN-SJORKVTESA-N 1 1 312.417 2.273 50 0 DEAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2[C@H](C(N)=O)c2ccccc2)c1 ZINC000072253307 401704245 /nfs/dbraw/zinc/70/42/45/401704245.db2.gz WMFJRRJGLOWFBN-SJORKVTESA-N 1 1 312.417 2.273 50 0 DEAAMO O=C(c1sccc1C1CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269263 401704974 /nfs/dbraw/zinc/70/49/74/401704974.db2.gz BSXNUAKUFSCKEL-GJZGRUSLSA-N 1 1 320.458 2.297 50 0 DEAAMO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1Br ZINC000002811226 401719175 /nfs/dbraw/zinc/71/91/75/401719175.db2.gz YOBCFYJQHWRARM-NSHDSACASA-N 1 1 300.196 2.414 50 0 DEAAMO COc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1Br ZINC000002811226 401719176 /nfs/dbraw/zinc/71/91/76/401719176.db2.gz YOBCFYJQHWRARM-NSHDSACASA-N 1 1 300.196 2.414 50 0 DEAAMO Cc1ncsc1C[N@H+]1CC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000075877035 401772569 /nfs/dbraw/zinc/77/25/69/401772569.db2.gz YDEUKPACJHEDGB-LBPRGKRZSA-N 1 1 315.446 2.417 50 0 DEAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(NC2CC2)nc1 ZINC000011813036 401776866 /nfs/dbraw/zinc/77/68/66/401776866.db2.gz MIZDBPLRHGIVQG-OAHLLOKOSA-N 1 1 302.422 2.260 50 0 DEAAMO Cn1nccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000012578712 401788377 /nfs/dbraw/zinc/78/83/77/401788377.db2.gz XFCNVPSHROPJDI-MRXNPFEDSA-N 1 1 312.417 2.157 50 0 DEAAMO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012717678 401790302 /nfs/dbraw/zinc/79/03/02/401790302.db2.gz MUCJOKNGYLUBNI-ZDUSSCGKSA-N 1 1 306.410 2.295 50 0 DEAAMO Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)cn1 ZINC000012753337 401790800 /nfs/dbraw/zinc/79/08/00/401790800.db2.gz ODNPATHVSBDZTG-OAHLLOKOSA-N 1 1 304.438 2.035 50 0 DEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCOC1 ZINC000076388564 401793785 /nfs/dbraw/zinc/79/37/85/401793785.db2.gz ZCAVCVKHYBJBQU-NVXWUHKLSA-N 1 1 302.418 2.146 50 0 DEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000020428782 401824675 /nfs/dbraw/zinc/82/46/75/401824675.db2.gz IYVPVYDXZVWCQL-UHFFFAOYSA-N 1 1 317.216 2.446 50 0 DEAAMO Fc1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1 ZINC000028078061 401849825 /nfs/dbraw/zinc/84/98/25/401849825.db2.gz NYUWXBNTJANUQX-UHFFFAOYSA-N 1 1 319.336 2.215 50 0 DEAAMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000030144472 401861056 /nfs/dbraw/zinc/86/10/56/401861056.db2.gz XPAGVCVWRMWMPP-NSHDSACASA-N 1 1 309.435 2.298 50 0 DEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3ccccn3)c2)C1 ZINC000078714228 401863166 /nfs/dbraw/zinc/86/31/66/401863166.db2.gz HBKHEEPGOPDHEE-QGZVFWFLSA-N 1 1 324.428 2.391 50 0 DEAAMO OCC[C@@H]1CCCC[N@@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000078776826 401865807 /nfs/dbraw/zinc/86/58/07/401865807.db2.gz LVSSCUGXTKANAO-HNNXBMFYSA-N 1 1 301.390 2.397 50 0 DEAAMO OCC[C@@H]1CCCC[N@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000078776826 401865808 /nfs/dbraw/zinc/86/58/08/401865808.db2.gz LVSSCUGXTKANAO-HNNXBMFYSA-N 1 1 301.390 2.397 50 0 DEAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000078890935 401868004 /nfs/dbraw/zinc/86/80/04/401868004.db2.gz LCJBMADSOILRRC-OAHLLOKOSA-N 1 1 304.369 2.223 50 0 DEAAMO c1cc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cs1 ZINC000014993334 401814417 /nfs/dbraw/zinc/81/44/17/401814417.db2.gz ALCHEPFZFPFTSJ-CYBMUJFWSA-N 1 1 304.419 2.249 50 0 DEAAMO Cc1noc2ncnc(N3CCC[C@H](Cn4cc[nH+]c4C)C3)c12 ZINC000077420213 401814821 /nfs/dbraw/zinc/81/48/21/401814821.db2.gz IUAWPMCYRHJWOO-CYBMUJFWSA-N 1 1 312.377 2.348 50 0 DEAAMO C[C@@H](CNS(=O)(=O)c1ccccc1F)[N@H+]1CCCC[C@H]1C ZINC000032441028 401878920 /nfs/dbraw/zinc/87/89/20/401878920.db2.gz JPSUMHDGJXYAHH-OLZOCXBDSA-N 1 1 314.426 2.367 50 0 DEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccccc32)C1 ZINC000032902620 401885179 /nfs/dbraw/zinc/88/51/79/401885179.db2.gz MHWGOWCSOXVKTP-AWEZNQCLSA-N 1 1 315.417 2.255 50 0 DEAAMO C[C@@H]1CCC[N@@H+](CCCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000032930016 401886557 /nfs/dbraw/zinc/88/65/57/401886557.db2.gz HDMOLELJYCHRQM-CQSZACIVSA-N 1 1 315.417 2.202 50 0 DEAAMO COCC[N@H+](Cc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036100460 401902773 /nfs/dbraw/zinc/90/27/73/401902773.db2.gz OWUMRJJIEYDJHN-GOSISDBHSA-N 1 1 309.450 2.477 50 0 DEAAMO COc1ccccc1NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000036390130 401904957 /nfs/dbraw/zinc/90/49/57/401904957.db2.gz SLSVLNGFRPCVQJ-BFHYXJOUSA-N 1 1 321.421 2.314 50 0 DEAAMO Fc1ccc2nc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)oc2c1 ZINC000084459489 401906077 /nfs/dbraw/zinc/90/60/77/401906077.db2.gz ALPRDIFOLHECKK-ZDUSSCGKSA-N 1 1 319.380 2.121 50 0 DEAAMO Fc1ccc2nc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)oc2c1 ZINC000084459489 401906080 /nfs/dbraw/zinc/90/60/80/401906080.db2.gz ALPRDIFOLHECKK-ZDUSSCGKSA-N 1 1 319.380 2.121 50 0 DEAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc2c1OCCCO2 ZINC000134670855 401910710 /nfs/dbraw/zinc/91/07/10/401910710.db2.gz ODUAPAHQXBSQTK-HNNXBMFYSA-N 1 1 318.417 2.339 50 0 DEAAMO C[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000037647671 401916480 /nfs/dbraw/zinc/91/64/80/401916480.db2.gz YXUUNMJBXIMUAL-JTQLQIEISA-N 1 1 322.352 2.344 50 0 DEAAMO O=C(c1cc(Br)c[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037845356 401917693 /nfs/dbraw/zinc/91/76/93/401917693.db2.gz BZIMDGLNOPEFIF-NSHDSACASA-N 1 1 312.211 2.088 50 0 DEAAMO O=C(c1cc(Br)c[nH]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037845356 401917695 /nfs/dbraw/zinc/91/76/95/401917695.db2.gz BZIMDGLNOPEFIF-NSHDSACASA-N 1 1 312.211 2.088 50 0 DEAAMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1sc(C)nc1C ZINC000089559181 401952102 /nfs/dbraw/zinc/95/21/02/401952102.db2.gz DZQPJQIOPCZNNJ-LLVKDONJSA-N 1 1 300.449 2.240 50 0 DEAAMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000046035129 401964998 /nfs/dbraw/zinc/96/49/98/401964998.db2.gz YUIQAHYRLMEHMZ-CYBMUJFWSA-N 1 1 310.463 2.314 50 0 DEAAMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1cnccn1 ZINC000090919368 401988740 /nfs/dbraw/zinc/98/87/40/401988740.db2.gz 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Cc1nc(N(C)C)nc(NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000065466369 184350207 /nfs/dbraw/zinc/35/02/07/184350207.db2.gz OSLJMNYOLGRGBU-OAHLLOKOSA-N 1 1 309.483 2.009 50 0 DEAAMO COc1c(C[NH2+][C@@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C ZINC000065474474 184351346 /nfs/dbraw/zinc/35/13/46/184351346.db2.gz AZSCMNGBKZJJSI-LBPRGKRZSA-N 1 1 322.453 2.089 50 0 DEAAMO CCn1nc(C(C)C)cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000065396382 184335266 /nfs/dbraw/zinc/33/52/66/184335266.db2.gz CKKJOZZWXLUESJ-CQSZACIVSA-N 1 1 306.454 2.488 50 0 DEAAMO CC(C)[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC(=O)N1 ZINC000065501130 184355584 /nfs/dbraw/zinc/35/55/84/184355584.db2.gz CAAJVYPODOBJEW-INIZCTEOSA-N 1 1 312.417 2.361 50 0 DEAAMO C[C@@H]1CNC(=O)CCN1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000065508681 184356427 /nfs/dbraw/zinc/35/64/27/184356427.db2.gz FAKIQHYZJFHYKK-CYBMUJFWSA-N 1 1 307.463 2.054 50 0 DEAAMO CCN(Cc1cnn(C)c1)C(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000095353880 285127053 /nfs/dbraw/zinc/12/70/53/285127053.db2.gz 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/nfs/dbraw/zinc/74/82/48/401748248.db2.gz ABGQYRRMZBQTKJ-UHFFFAOYSA-N 1 1 323.462 2.322 50 0 DEAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CO)c1C ZINC000007060552 401736595 /nfs/dbraw/zinc/73/65/95/401736595.db2.gz UIGABJQLRMFJQC-SJORKVTESA-N 1 1 307.434 2.198 50 0 DEAAMO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000007486516 401741131 /nfs/dbraw/zinc/74/11/31/401741131.db2.gz RLSGRPFHAIUJDK-HNNXBMFYSA-N 1 1 317.433 2.233 50 0 DEAAMO COC(=O)[C@@H]1CCCC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000071863841 401688822 /nfs/dbraw/zinc/68/88/22/401688822.db2.gz PCKBURMQDNEOFI-ZDUSSCGKSA-N 1 1 314.426 2.271 50 0 DEAAMO COC(=O)[C@@H]1CCCC[N@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000071863841 401688823 /nfs/dbraw/zinc/68/88/23/401688823.db2.gz PCKBURMQDNEOFI-ZDUSSCGKSA-N 1 1 314.426 2.271 50 0 DEAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 ZINC000071869896 401689536 /nfs/dbraw/zinc/68/95/36/401689536.db2.gz OZNXXZGFLBYEPP-HZPDHXFCSA-N 1 1 304.438 2.057 50 0 DEAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCC1 ZINC000000212468 401690680 /nfs/dbraw/zinc/69/06/80/401690680.db2.gz CSJCIXFJSDWFOE-OAHLLOKOSA-N 1 1 316.401 2.250 50 0 DEAAMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000071907797 401695760 /nfs/dbraw/zinc/69/57/60/401695760.db2.gz DBILRPAVIODIPR-HOTGVXAUSA-N 1 1 311.447 2.086 50 0 DEAAMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000071907797 401695764 /nfs/dbraw/zinc/69/57/64/401695764.db2.gz DBILRPAVIODIPR-HOTGVXAUSA-N 1 1 311.447 2.086 50 0 DEAAMO COc1c2c(cc3c1[C@@H](Cc1cc(C)on1)[N@@H+](C)CC3)OCO2 ZINC000000488932 401699538 /nfs/dbraw/zinc/69/95/38/401699538.db2.gz FXHAALPDVFGBNW-CYBMUJFWSA-N 1 1 316.357 2.492 50 0 biogenic DEAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc(Cl)c1 ZINC000000611076 401701600 /nfs/dbraw/zinc/70/16/00/401701600.db2.gz PVYLBVFBQDGMAG-ZETCQYMHSA-N 1 1 323.809 2.414 50 0 DEAAMO COc1nc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc2ccccc21 ZINC000072095175 401703565 /nfs/dbraw/zinc/70/35/65/401703565.db2.gz UCEYGMIQBQEGQP-GFCCVEGCSA-N 1 1 313.401 2.456 50 0 DEAAMO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000072123982 401703794 /nfs/dbraw/zinc/70/37/94/401703794.db2.gz OULMFEASNCURPL-OAHLLOKOSA-N 1 1 313.405 2.028 50 0 DEAAMO CC[NH+]1CCN(C(=O)c2cccc(Oc3ncccn3)c2)CC1 ZINC000072437641 401710094 /nfs/dbraw/zinc/71/00/94/401710094.db2.gz YGYUEVJARKWTTL-UHFFFAOYSA-N 1 1 312.373 2.047 50 0 DEAAMO CCOC(=O)CC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000002036622 401711404 /nfs/dbraw/zinc/71/14/04/401711404.db2.gz LRJQXEYJXMMPOA-AWEZNQCLSA-N 1 1 307.390 2.251 50 0 DEAAMO CCC(=O)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158756 401804380 /nfs/dbraw/zinc/80/43/80/401804380.db2.gz XPHSGDVXOYFRCZ-UHFFFAOYSA-N 1 1 312.417 2.104 50 0 DEAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075132336 401750682 /nfs/dbraw/zinc/75/06/82/401750682.db2.gz YDYJTKPWPPMKGV-MRXNPFEDSA-N 1 1 312.417 2.473 50 0 DEAAMO Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)[NH3+])o1 ZINC000008510586 401753575 /nfs/dbraw/zinc/75/35/75/401753575.db2.gz SBCYLVWASQGOTD-SNVBAGLBSA-N 1 1 306.391 2.437 50 0 DEAAMO CC(C)(C)CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011817603 401776713 /nfs/dbraw/zinc/77/67/13/401776713.db2.gz FLTYMHSTEWGZBY-HNNXBMFYSA-N 1 1 321.509 2.488 50 0 DEAAMO CC(C)(C)CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011817603 401776717 /nfs/dbraw/zinc/77/67/17/401776717.db2.gz FLTYMHSTEWGZBY-HNNXBMFYSA-N 1 1 321.509 2.488 50 0 DEAAMO CC[C@H](NC(=O)NCCCn1cc[nH+]c1C)c1nccs1 ZINC000076018496 401777425 /nfs/dbraw/zinc/77/74/25/401777425.db2.gz ZVAODTSFYFYZIC-LBPRGKRZSA-N 1 1 307.423 2.489 50 0 DEAAMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n(C)n1 ZINC000012297554 401782379 /nfs/dbraw/zinc/78/23/79/401782379.db2.gz NMJTVDUUVUUJRR-SFHVURJKSA-N 1 1 316.449 2.067 50 0 DEAAMO Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)n1 ZINC000012305282 401783419 /nfs/dbraw/zinc/78/34/19/401783419.db2.gz CGCGQEOUTPLCMY-QGZVFWFLSA-N 1 1 302.422 2.056 50 0 DEAAMO Cc1cccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000076329323 401791085 /nfs/dbraw/zinc/79/10/85/401791085.db2.gz BPALRAXHOSMHNY-AWEZNQCLSA-N 1 1 318.465 2.308 50 0 DEAAMO COc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000012921643 401793935 /nfs/dbraw/zinc/79/39/35/401793935.db2.gz UKBKFJISCCJFQZ-INIZCTEOSA-N 1 1 321.421 2.174 50 0 DEAAMO O=C([O-])[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000025338260 401833153 /nfs/dbraw/zinc/83/31/53/401833153.db2.gz PBEHABJADYYKBR-KRWDZBQOSA-N 1 1 316.445 2.490 50 0 DEAAMO O=C([O-])[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000025338260 401833155 /nfs/dbraw/zinc/83/31/55/401833155.db2.gz PBEHABJADYYKBR-KRWDZBQOSA-N 1 1 316.445 2.490 50 0 DEAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1OC ZINC000027350253 401845219 /nfs/dbraw/zinc/84/52/19/401845219.db2.gz ALDKNTFTTMOENK-UHFFFAOYSA-N 1 1 314.385 2.435 50 0 DEAAMO C[NH+]1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000078655821 401860727 /nfs/dbraw/zinc/86/07/27/401860727.db2.gz SLQPCBJWDGAFAN-UHFFFAOYSA-N 1 1 317.252 2.217 50 0 DEAAMO COC[C@@H](O)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000078774599 401865733 /nfs/dbraw/zinc/86/57/33/401865733.db2.gz VTQMKCFERUXGBD-JTQLQIEISA-N 1 1 311.179 2.417 50 0 DEAAMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccccc2)CC1 ZINC000031091891 401868218 /nfs/dbraw/zinc/86/82/18/401868218.db2.gz WDONLHFSWDTLNF-UHFFFAOYSA-N 1 1 304.438 2.226 50 0 DEAAMO COCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000079101863 401870177 /nfs/dbraw/zinc/87/01/77/401870177.db2.gz SJTSUSHOLRNMCO-CVEARBPZSA-N 1 1 305.422 2.015 50 0 DEAAMO Fc1ccc(OCC[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000077436837 401815223 /nfs/dbraw/zinc/81/52/23/401815223.db2.gz OQOYQQVDPDTASP-KRWDZBQOSA-N 1 1 322.424 2.391 50 0 DEAAMO c1cc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cs1 ZINC000014993336 401815386 /nfs/dbraw/zinc/81/53/86/401815386.db2.gz ALCHEPFZFPFTSJ-ZDUSSCGKSA-N 1 1 304.419 2.249 50 0 DEAAMO CC(C)c1nc(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)[nH]1 ZINC000041648838 401929882 /nfs/dbraw/zinc/92/98/82/401929882.db2.gz YBTIJFZGLKFYOJ-UHFFFAOYSA-N 1 1 312.417 2.216 50 0 DEAAMO COC(=O)c1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)o1 ZINC000032666682 401881513 /nfs/dbraw/zinc/88/15/13/401881513.db2.gz PTYYOUOJZMTGOG-ZDUSSCGKSA-N 1 1 317.341 2.338 50 0 DEAAMO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)o1 ZINC000032666682 401881515 /nfs/dbraw/zinc/88/15/15/401881515.db2.gz PTYYOUOJZMTGOG-ZDUSSCGKSA-N 1 1 317.341 2.338 50 0 DEAAMO COc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc(Cl)c1OC ZINC000032963976 401886808 /nfs/dbraw/zinc/88/68/08/401886808.db2.gz YZGAAHASNQTLQE-UHFFFAOYSA-N 1 1 312.797 2.135 50 0 DEAAMO COC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)[C@H](O)c1ccncc1 ZINC000034858392 401893875 /nfs/dbraw/zinc/89/38/75/401893875.db2.gz KDXCSSVSRPXSBC-DLBZAZTESA-N 1 1 314.385 2.036 50 0 DEAAMO COCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1 ZINC000036096389 401902098 /nfs/dbraw/zinc/90/20/98/401902098.db2.gz HGSUDRLWPAYYFP-HNNXBMFYSA-N 1 1 305.374 2.168 50 0 DEAAMO COCC[N@H+](Cc1ccco1)C[C@H](O)COc1ccccc1 ZINC000036096389 401902100 /nfs/dbraw/zinc/90/21/00/401902100.db2.gz HGSUDRLWPAYYFP-HNNXBMFYSA-N 1 1 305.374 2.168 50 0 DEAAMO COCC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036099673 401902705 /nfs/dbraw/zinc/90/27/05/401902705.db2.gz MIPDSPNWYNHQCV-OAHLLOKOSA-N 1 1 317.376 2.199 50 0 DEAAMO COCC[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036099673 401902707 /nfs/dbraw/zinc/90/27/07/401902707.db2.gz MIPDSPNWYNHQCV-OAHLLOKOSA-N 1 1 317.376 2.199 50 0 DEAAMO O[C@@H](C[NH+]1CCN(Cc2ccccc2F)CC1)c1ccco1 ZINC000085436903 401916169 /nfs/dbraw/zinc/91/61/69/401916169.db2.gz SJKWGPNDPRXNSE-INIZCTEOSA-N 1 1 304.365 2.270 50 0 DEAAMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)N1CCc2sccc2C1 ZINC000044937966 401951002 /nfs/dbraw/zinc/95/10/02/401951002.db2.gz OSNXDINXCZDCHE-CYBMUJFWSA-N 1 1 320.458 2.134 50 0 DEAAMO CCc1nnsc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000044941682 401951328 /nfs/dbraw/zinc/95/13/28/401951328.db2.gz QVSVRXMGPBAAHP-LBPRGKRZSA-N 1 1 310.467 2.485 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000048304212 401997530 /nfs/dbraw/zinc/99/75/30/401997530.db2.gz KYYILKGYMCNFGM-CYBMUJFWSA-N 1 1 300.358 2.007 50 0 DEAAMO CC(C)OCC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000089887860 401970323 /nfs/dbraw/zinc/97/03/23/401970323.db2.gz PDFCTEQFMIDYSQ-OAHLLOKOSA-N 1 1 312.479 2.478 50 0 DEAAMO Cc1ccn2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)nc2c1 ZINC000046859671 401974272 /nfs/dbraw/zinc/97/42/72/401974272.db2.gz GEQLCJMGWWMZQQ-AWEZNQCLSA-N 1 1 300.406 2.247 50 0 DEAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000089938221 401974986 /nfs/dbraw/zinc/97/49/86/401974986.db2.gz ARUAOEKCIXTMAU-SSDOTTSWSA-N 1 1 308.329 2.330 50 0 DEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000089938221 401974989 /nfs/dbraw/zinc/97/49/89/401974989.db2.gz ARUAOEKCIXTMAU-SSDOTTSWSA-N 1 1 308.329 2.330 50 0 DEAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)ccc1Br ZINC000089938370 401975663 /nfs/dbraw/zinc/97/56/63/401975663.db2.gz 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/nfs/dbraw/zinc/74/33/43/401743343.db2.gz OLGGEZMFYQEPJC-CYBMUJFWSA-N 1 1 318.421 2.323 50 0 DEAAMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CCOCC1 ZINC000074878963 401745544 /nfs/dbraw/zinc/74/55/44/401745544.db2.gz REEDHUADXSGQCM-INIZCTEOSA-N 1 1 311.470 2.461 50 0 DEAAMO COc1cccc(SCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000071888546 401692764 /nfs/dbraw/zinc/69/27/64/401692764.db2.gz RQQSUVJYIHTIJF-ZDUSSCGKSA-N 1 1 308.447 2.245 50 0 DEAAMO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)NC[C@@H]1CCCO1 ZINC000071915031 401696683 /nfs/dbraw/zinc/69/66/83/401696683.db2.gz MBKHBSAIDZCRAX-LSDHHAIUSA-N 1 1 306.406 2.492 50 0 DEAAMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)NC[C@@H]1CCCO1 ZINC000071915031 401696685 /nfs/dbraw/zinc/69/66/85/401696685.db2.gz MBKHBSAIDZCRAX-LSDHHAIUSA-N 1 1 306.406 2.492 50 0 DEAAMO COc1c2c(cc3c1[C@H](Cc1cc(C)on1)[N@@H+](C)CC3)OCO2 ZINC000000488931 401699633 /nfs/dbraw/zinc/69/96/33/401699633.db2.gz FXHAALPDVFGBNW-ZDUSSCGKSA-N 1 1 316.357 2.492 50 0 biogenic DEAAMO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000072123983 401703767 /nfs/dbraw/zinc/70/37/67/401703767.db2.gz OULMFEASNCURPL-HNNXBMFYSA-N 1 1 313.405 2.028 50 0 DEAAMO Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)no1 ZINC000072294951 401707481 /nfs/dbraw/zinc/70/74/81/401707481.db2.gz VUEUKPYBCJCJIY-CABCVRRESA-N 1 1 320.437 2.347 50 0 DEAAMO Cn1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1=O ZINC000072299860 401707676 /nfs/dbraw/zinc/70/76/76/401707676.db2.gz USQQHGSTLXNPIB-CQSZACIVSA-N 1 1 314.389 2.025 50 0 DEAAMO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319815 401751677 /nfs/dbraw/zinc/75/16/77/401751677.db2.gz XJFKCPVQTWQDIP-HNNXBMFYSA-N 1 1 318.417 2.367 50 0 DEAAMO CC(C)CNC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319815 401751679 /nfs/dbraw/zinc/75/16/79/401751679.db2.gz XJFKCPVQTWQDIP-HNNXBMFYSA-N 1 1 318.417 2.367 50 0 DEAAMO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319810 401751687 /nfs/dbraw/zinc/75/16/87/401751687.db2.gz XJFKCPVQTWQDIP-OAHLLOKOSA-N 1 1 318.417 2.367 50 0 DEAAMO CC(C)CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319810 401751690 /nfs/dbraw/zinc/75/16/90/401751690.db2.gz XJFKCPVQTWQDIP-OAHLLOKOSA-N 1 1 318.417 2.367 50 0 DEAAMO C[C@@H](CNC(=O)NCc1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000075610427 401764223 /nfs/dbraw/zinc/76/42/23/401764223.db2.gz PJBLPCNMRVEXPE-HNNXBMFYSA-N 1 1 312.417 2.401 50 0 DEAAMO CNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000012333763 401783034 /nfs/dbraw/zinc/78/30/34/401783034.db2.gz JHHUWDVSHKFHBB-UHFFFAOYSA-N 1 1 314.389 2.003 50 0 DEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000012531755 401786845 /nfs/dbraw/zinc/78/68/45/401786845.db2.gz HEAHKKGIIAKUTB-HZPDHXFCSA-N 1 1 321.417 2.010 50 0 DEAAMO C[C@@H]1c2cccn2CC[N@@H+]1CCC(=O)NC(=O)NC1CCCC1 ZINC000024743456 401830440 /nfs/dbraw/zinc/83/04/40/401830440.db2.gz FSMCCCBGKFXADK-CYBMUJFWSA-N 1 1 318.421 2.023 50 0 DEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000025124066 401830806 /nfs/dbraw/zinc/83/08/06/401830806.db2.gz KMMZLIIJELPBBU-GASCZTMLSA-N 1 1 319.449 2.374 50 0 DEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000025124066 401830811 /nfs/dbraw/zinc/83/08/11/401830811.db2.gz KMMZLIIJELPBBU-GASCZTMLSA-N 1 1 319.449 2.374 50 0 DEAAMO c1nnc2c(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)nccn12 ZINC000077898047 401835823 /nfs/dbraw/zinc/83/58/23/401835823.db2.gz IVRIURXYLMTWCD-HNNXBMFYSA-N 1 1 308.389 2.201 50 0 DEAAMO Cc1c2cccc(F)c2oc1C(=O)NCC[N@H+]1CCC[C@@H](O)C1 ZINC000014955573 401814361 /nfs/dbraw/zinc/81/43/61/401814361.db2.gz JCIQEOGHFVAJAJ-GFCCVEGCSA-N 1 1 320.364 2.067 50 0 DEAAMO COCCN1CC[N@@H+](Cc2cc(C)c(C)cc2C)CCC1=O ZINC000014952033 401814773 /nfs/dbraw/zinc/81/47/73/401814773.db2.gz GCCGLBRYWFBEBA-UHFFFAOYSA-N 1 1 304.434 2.293 50 0 DEAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1nncs1 ZINC000040525260 401925910 /nfs/dbraw/zinc/92/59/10/401925910.db2.gz REIZRZDFWXAGIW-LLVKDONJSA-N 1 1 321.406 2.480 50 0 DEAAMO CCN1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000035335419 401898787 /nfs/dbraw/zinc/89/87/87/401898787.db2.gz XBEMRTOBYVWARL-UHFFFAOYSA-N 1 1 308.422 2.286 50 0 DEAAMO Cc1cccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)n1 ZINC000036385740 401904738 /nfs/dbraw/zinc/90/47/38/401904738.db2.gz YFISHJUKQFKCEG-GOSISDBHSA-N 1 1 303.450 2.201 50 0 DEAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000036699965 401906527 /nfs/dbraw/zinc/90/65/27/401906527.db2.gz JOWNKVWXNDVHEE-QGZVFWFLSA-N 1 1 314.385 2.473 50 0 DEAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000036699965 401906528 /nfs/dbraw/zinc/90/65/28/401906528.db2.gz JOWNKVWXNDVHEE-QGZVFWFLSA-N 1 1 314.385 2.473 50 0 DEAAMO O=c1n(CC[N@H+]2CCC[C@H]2c2ccsc2)nc2ccccn21 ZINC000048300561 401997606 /nfs/dbraw/zinc/99/76/06/401997606.db2.gz XPEZUXULSMKVJV-AWEZNQCLSA-N 1 1 314.414 2.395 50 0 DEAAMO Cc1nnc(CCC[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000089736317 401959447 /nfs/dbraw/zinc/95/94/47/401959447.db2.gz NWQSEQWKNCPSPC-ZDUSSCGKSA-N 1 1 324.425 2.300 50 0 DEAAMO C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CCN1c1nccs1 ZINC000095351522 402026617 /nfs/dbraw/zinc/02/66/17/402026617.db2.gz AHNSVWUCPFIASQ-SNVBAGLBSA-N 1 1 300.391 2.130 50 0 DEAAMO CCn1nc(C)c(CCNC(=O)[C@@]2(C)CCC[N@@H+](CC)C2)c1C ZINC000095354936 402026827 /nfs/dbraw/zinc/02/68/27/402026827.db2.gz SSCDUNOVYSNPRG-SFHVURJKSA-N 1 1 320.481 2.301 50 0 DEAAMO Cc1cccc([C@@H](C(=O)NCCc2cscn2)[NH+](C)C)c1 ZINC000095366541 402028362 /nfs/dbraw/zinc/02/83/62/402028362.db2.gz KICGFRMXJIHHHD-HNNXBMFYSA-N 1 1 303.431 2.413 50 0 DEAAMO Cc1ccn(CCCNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000095367445 402028471 /nfs/dbraw/zinc/02/84/71/402028471.db2.gz HLGZDSBTWUEJEG-QGZVFWFLSA-N 1 1 314.433 2.309 50 0 DEAAMO CCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CCOC)C2)cs1 ZINC000095374442 402029642 /nfs/dbraw/zinc/02/96/42/402029642.db2.gz PWRBARAPGVILHQ-UKRRQHHQSA-N 1 1 322.474 2.493 50 0 DEAAMO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](O)C3)nc(N)c2c1C ZINC000095947279 402035783 /nfs/dbraw/zinc/03/57/83/402035783.db2.gz IQYADMLHIKQHGA-KOLCDFICSA-N 1 1 306.435 2.408 50 0 DEAAMO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](O)C3)nc(N)c2c1C ZINC000095947279 402035786 /nfs/dbraw/zinc/03/57/86/402035786.db2.gz IQYADMLHIKQHGA-KOLCDFICSA-N 1 1 306.435 2.408 50 0 DEAAMO O=C(CCc1ccccc1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095960638 402037210 /nfs/dbraw/zinc/03/72/10/402037210.db2.gz HIKGZLUTAIMMAN-UHFFFAOYSA-N 1 1 316.445 2.333 50 0 DEAAMO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000095966296 402038169 /nfs/dbraw/zinc/03/81/69/402038169.db2.gz IPCUIUVGQKRVHP-HUUCEWRRSA-N 1 1 321.440 2.265 50 0 DEAAMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000095982299 402042333 /nfs/dbraw/zinc/04/23/33/402042333.db2.gz PCTXXXIOEYKKTG-UHFFFAOYSA-N 1 1 300.358 2.499 50 0 DEAAMO C[C@H]1CCC[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000052493232 402043042 /nfs/dbraw/zinc/04/30/42/402043042.db2.gz KSTXSOXLLUPZEU-HOCLYGCPSA-N 1 1 318.465 2.327 50 0 DEAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000095987436 402043377 /nfs/dbraw/zinc/04/33/77/402043377.db2.gz GWQIXBHNYVIYOX-UKRRQHHQSA-N 1 1 324.808 2.001 50 0 DEAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000095987436 402043380 /nfs/dbraw/zinc/04/33/80/402043380.db2.gz GWQIXBHNYVIYOX-UKRRQHHQSA-N 1 1 324.808 2.001 50 0 DEAAMO C[C@]1(CO)COCC[N@@H+]1CCOc1cccc2ccccc21 ZINC000096004046 402045753 /nfs/dbraw/zinc/04/57/53/402045753.db2.gz KXTNBZNQDOYHEU-SFHVURJKSA-N 1 1 301.386 2.302 50 0 DEAAMO C[C@]1(CO)COCC[N@H+]1CCOc1cccc2ccccc21 ZINC000096004046 402045758 /nfs/dbraw/zinc/04/57/58/402045758.db2.gz KXTNBZNQDOYHEU-SFHVURJKSA-N 1 1 301.386 2.302 50 0 DEAAMO Cc1[nH+]ccn1CCCn1c(=O)ncn1-c1cc(C)ccc1C ZINC000096009623 402046836 /nfs/dbraw/zinc/04/68/36/402046836.db2.gz HSLFATPOZYNGQS-UHFFFAOYSA-N 1 1 311.389 2.246 50 0 DEAAMO Cn1ncc2c1nc(C[N@@H+](C1CC1)C1CCCCC1)[nH]c2=O ZINC000052827837 402047463 /nfs/dbraw/zinc/04/74/63/402047463.db2.gz JILWVSJTACKMFN-UHFFFAOYSA-N 1 1 301.394 2.366 50 0 DEAAMO Cn1ncc2c1nc(C[N@H+]1CCC[C@H]1C1CCCC1)[nH]c2=O ZINC000052863809 402048205 /nfs/dbraw/zinc/04/82/05/402048205.db2.gz BRDWNKNQUOHWPE-ZDUSSCGKSA-N 1 1 301.394 2.224 50 0 DEAAMO CC(C)CN(Cc1ccsc1)C(=O)C[C@H]1CN(C)CC[N@H+]1C ZINC000055154146 402076688 /nfs/dbraw/zinc/07/66/88/402076688.db2.gz VLVDXTLAEHIFOE-INIZCTEOSA-N 1 1 323.506 2.369 50 0 DEAAMO CC(C)CN(Cc1ccsc1)C(=O)C[C@H]1C[N@H+](C)CCN1C ZINC000055154146 402076691 /nfs/dbraw/zinc/07/66/91/402076691.db2.gz VLVDXTLAEHIFOE-INIZCTEOSA-N 1 1 323.506 2.369 50 0 DEAAMO CC(C)CN(Cc1ccsc1)C(=O)C[C@H]1C[N@@H+](C)CCN1C ZINC000055154146 402076692 /nfs/dbraw/zinc/07/66/92/402076692.db2.gz VLVDXTLAEHIFOE-INIZCTEOSA-N 1 1 323.506 2.369 50 0 DEAAMO CCOC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000096413336 402080479 /nfs/dbraw/zinc/08/04/79/402080479.db2.gz NDTKEQOZHKHJTC-AWEZNQCLSA-N 1 1 309.454 2.214 50 0 DEAAMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096415723 402080885 /nfs/dbraw/zinc/08/08/85/402080885.db2.gz LLPIOTHOZRIAPQ-JSGCOSHPSA-N 1 1 306.381 2.197 50 0 DEAAMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096415723 402080890 /nfs/dbraw/zinc/08/08/90/402080890.db2.gz LLPIOTHOZRIAPQ-JSGCOSHPSA-N 1 1 306.381 2.197 50 0 DEAAMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(CCOC)no2)C12CCCC2 ZINC000096419730 402081946 /nfs/dbraw/zinc/08/19/46/402081946.db2.gz AZZRDWYLBVSTJA-KGLIPLIRSA-N 1 1 323.437 2.428 50 0 DEAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(CCOC)no2)C12CCCC2 ZINC000096419730 402081949 /nfs/dbraw/zinc/08/19/49/402081949.db2.gz AZZRDWYLBVSTJA-KGLIPLIRSA-N 1 1 323.437 2.428 50 0 DEAAMO Cc1ccc(OCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC000055414862 402082015 /nfs/dbraw/zinc/08/20/15/402082015.db2.gz KOFVKQQQGZYTKC-INIZCTEOSA-N 1 1 304.434 2.482 50 0 DEAAMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2nncs2)C12CCCC2 ZINC000096419688 402082190 /nfs/dbraw/zinc/08/21/90/402082190.db2.gz ZDJNVXYQISRQQR-RYUDHWBXSA-N 1 1 324.450 2.146 50 0 DEAAMO 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2.196 50 0 DEAAMO CCn1nccc1CC[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000253420402 402665266 /nfs/dbraw/zinc/66/52/66/402665266.db2.gz IGKPBJLBCZGWAM-MRXNPFEDSA-N 1 1 316.453 2.066 50 0 DEAAMO CC(C)CC(=O)N1C[C@@H]2C[N@H+](C3CCCC3)CC[C@]2(CO)C1 ZINC000257174801 402700036 /nfs/dbraw/zinc/70/00/36/402700036.db2.gz KXGQWGRMXGLOML-MAUKXSAKSA-N 1 1 308.466 2.118 50 0 DEAAMO Cc1noc([C@H]2C[N@H+](Cc3cnn(C)c3)CC23CCCC3)n1 ZINC000257173999 402700212 /nfs/dbraw/zinc/70/02/12/402700212.db2.gz BDZCECXHEQBYEK-CQSZACIVSA-N 1 1 301.394 2.271 50 0 DEAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)CCOC)C1 ZINC000257191379 402701680 /nfs/dbraw/zinc/70/16/80/402701680.db2.gz QEOKKYGEUFROLI-HNNXBMFYSA-N 1 1 307.438 2.419 50 0 DEAAMO C[C@H](CNC(=O)Nc1cnns1)[N@H+]1CCc2ccccc2C1 ZINC000192323807 402722462 /nfs/dbraw/zinc/72/24/62/402722462.db2.gz DWAFQQWYQLMHBK-LLVKDONJSA-N 1 1 317.418 2.106 50 0 DEAAMO C[C@H]1CN(c2ncccc2C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000275670307 403114030 /nfs/dbraw/zinc/11/40/30/403114030.db2.gz 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COc1ccnc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000426478128 405362439 /nfs/dbraw/zinc/36/24/39/405362439.db2.gz QAOBTYZDPSQVPE-ZDUSSCGKSA-N 1 1 303.406 2.085 50 0 DEAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)NCC(F)(F)F ZINC000426510612 405365387 /nfs/dbraw/zinc/36/53/87/405365387.db2.gz JTVHYUXWEAWLQO-UHFFFAOYSA-N 1 1 301.312 2.336 50 0 DEAAMO CCn1ncc(CN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000426588954 405370337 /nfs/dbraw/zinc/37/03/37/405370337.db2.gz JMNCLXMSVCEHTE-MRXNPFEDSA-N 1 1 306.454 2.434 50 0 DEAAMO CCc1[nH+]ccn1CCCNC(=O)N1CCn2cccc2[C@@H]1C ZINC000426683746 405374565 /nfs/dbraw/zinc/37/45/65/405374565.db2.gz GJVMCWHKUJLJRE-AWEZNQCLSA-N 1 1 315.421 2.424 50 0 DEAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NCc1nc(C)c2c(n1)CCCC2 ZINC000426712598 405375781 /nfs/dbraw/zinc/37/57/81/405375781.db2.gz HHBWWCQXORVCML-GFCCVEGCSA-N 1 1 313.405 2.046 50 0 DEAAMO C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000585132359 405875117 /nfs/dbraw/zinc/87/51/17/405875117.db2.gz 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ZINC000103257378 424848618 /nfs/dbraw/zinc/84/86/18/424848618.db2.gz HMGQEVPWWCQOBY-BMFZPTHFSA-N 1 1 315.417 2.435 50 0 DEAAMO c1c[nH]c(C[N@H+]2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)n1 ZINC000252510263 424888261 /nfs/dbraw/zinc/88/82/61/424888261.db2.gz ZFTNKCRXERAVSX-RDJZCZTQSA-N 1 1 303.406 2.128 50 0 DEAAMO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)nn1 ZINC000152292478 274106708 /nfs/dbraw/zinc/10/67/08/274106708.db2.gz JWXXJWZSVRSRAH-CQSZACIVSA-N 1 1 324.384 2.110 50 0 DEAAMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006455336 277080571 /nfs/dbraw/zinc/08/05/71/277080571.db2.gz VRBMFTHOXXVRCP-VBQJREDUSA-N 1 1 320.433 2.363 50 0 DEAAMO COC(=O)CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076388663 277315289 /nfs/dbraw/zinc/31/52/89/277315289.db2.gz RHAFLDPYFJSWFD-HNNXBMFYSA-N 1 1 318.417 2.063 50 0 DEAAMO COc1cccc2c1OCCC[N@@H+](C[C@@H](C)n1cncn1)C2 ZINC000240936862 278038936 /nfs/dbraw/zinc/03/89/36/278038936.db2.gz SFBZYGDNANKXHF-CYBMUJFWSA-N 1 1 302.378 2.132 50 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DEAAMO C[NH+](C)CCN(Cc1cccnc1)C(=O)c1c(O)cccc1F ZINC000120235021 355790045 /nfs/dbraw/zinc/79/00/45/355790045.db2.gz MOKBQGINAKIOSB-UHFFFAOYSA-N 1 1 317.364 2.130 50 0 DEAAMO CC(C)C[N@@H+](C1CN(Cc2cncs2)C1)C1CCOCC1 ZINC000169791776 355984367 /nfs/dbraw/zinc/98/43/67/355984367.db2.gz SATOVZSRKLBGJZ-UHFFFAOYSA-N 1 1 309.479 2.464 50 0 DEAAMO Fc1ccc2ncnc(N3CCC[C@H]3C[NH+]3CCOCC3)c2c1 ZINC000170085514 355986029 /nfs/dbraw/zinc/98/60/29/355986029.db2.gz ROCYOOLTPOSHBC-AWEZNQCLSA-N 1 1 316.380 2.070 50 0 DEAAMO CC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000170595642 355986972 /nfs/dbraw/zinc/98/69/72/355986972.db2.gz JNYHCAGIAFAYMC-CQSZACIVSA-N 1 1 315.421 2.184 50 0 DEAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000005511873 181252016 /nfs/dbraw/zinc/25/20/16/181252016.db2.gz RYXOJVLTKNOQBB-CJNGLKHVSA-N 1 1 316.401 2.449 50 0 DEAAMO Clc1ccc(O[C@@H]2CCC[N@@H+](CCC3OCCO3)C2)nc1 ZINC000195565974 356258099 /nfs/dbraw/zinc/25/80/99/356258099.db2.gz KKFPGYWHTYPAFN-CYBMUJFWSA-N 1 1 312.797 2.341 50 0 DEAAMO CCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000229477558 356282143 /nfs/dbraw/zinc/28/21/43/356282143.db2.gz LOTZNMKJJLZGON-QWHCGFSZSA-N 1 1 304.398 2.087 50 0 DEAAMO CCCc1noc([C@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000229477558 356282144 /nfs/dbraw/zinc/28/21/44/356282144.db2.gz LOTZNMKJJLZGON-QWHCGFSZSA-N 1 1 304.398 2.087 50 0 DEAAMO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)N1CCOC[C@H]1C ZINC000253370934 356336463 /nfs/dbraw/zinc/33/64/63/356336463.db2.gz YLKHQWQXJDOZMT-INMHGKMJSA-N 1 1 314.433 2.198 50 0 DEAAMO Cc1csc(C2([NH2+]CC(=O)NCC(F)(F)F)CCCC2)n1 ZINC000081608074 192301475 /nfs/dbraw/zinc/30/14/75/192301475.db2.gz SMKBMZHBNBOLSN-UHFFFAOYSA-N 1 1 321.368 2.489 50 0 DEAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000584886682 357325151 /nfs/dbraw/zinc/32/51/51/357325151.db2.gz OVHNSXXWZHAXOZ-ZDUSSCGKSA-N 1 1 300.402 2.277 50 0 DEAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2cc(C)[nH]c(=O)c2)C1 ZINC000584889261 357326071 /nfs/dbraw/zinc/32/60/71/357326071.db2.gz HZRIKNTVSKIFES-CQSZACIVSA-N 1 1 314.389 2.153 50 0 DEAAMO CN1CC[N@H+](CCSc2ccc(Cl)cc2)C[C@H]1CO ZINC000585136310 357337533 /nfs/dbraw/zinc/33/75/33/357337533.db2.gz AIMMPCOOMYOSEG-ZDUSSCGKSA-N 1 1 300.855 2.040 50 0 DEAAMO CN1CC[N@@H+](CCSc2ccc(Cl)cc2)C[C@H]1CO ZINC000585136310 357337538 /nfs/dbraw/zinc/33/75/38/357337538.db2.gz AIMMPCOOMYOSEG-ZDUSSCGKSA-N 1 1 300.855 2.040 50 0 DEAAMO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000189037372 200339484 /nfs/dbraw/zinc/33/94/84/200339484.db2.gz GWXCJMYSEZSAES-QGZVFWFLSA-N 1 1 303.406 2.136 50 0 DEAAMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000189037372 200339486 /nfs/dbraw/zinc/33/94/86/200339486.db2.gz GWXCJMYSEZSAES-QGZVFWFLSA-N 1 1 303.406 2.136 50 0 DEAAMO CCOc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000006111149 181313329 /nfs/dbraw/zinc/31/33/29/181313329.db2.gz VSONKLRWXJMQQO-CVEARBPZSA-N 1 1 323.433 2.062 50 0 DEAAMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C1\CCCCC1(C)C ZINC000606442319 361008316 /nfs/dbraw/zinc/00/83/16/361008316.db2.gz ZAZGWTGWTXCFSJ-XERWBJCMSA-N 1 1 307.482 2.265 50 0 DEAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC000670447809 540934678 /nfs/dbraw/zinc/93/46/78/540934678.db2.gz QWDZDSMPOVDXEG-AWEZNQCLSA-N 1 1 318.421 2.277 50 0 DEAAMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000195530345 201398425 /nfs/dbraw/zinc/39/84/25/201398425.db2.gz XUEGWRGFOKLEME-GOEBONIOSA-N 1 1 320.437 2.340 50 0 DEAAMO O=C(c1cccc(Cl)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620490313 364064670 /nfs/dbraw/zinc/06/46/70/364064670.db2.gz XXNKHOAIGPQMPT-HNNXBMFYSA-N 1 1 308.809 2.011 50 0 DEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000248732184 202757925 /nfs/dbraw/zinc/75/79/25/202757925.db2.gz DHCVZDLJPUDHJS-KBAYOESNSA-N 1 1 316.445 2.440 50 0 DEAAMO Cc1cccc([C@@H](C(=O)N(C)CCCn2cccn2)[NH+](C)C)c1 ZINC000091365290 193045723 /nfs/dbraw/zinc/04/57/23/193045723.db2.gz ZLDYJIPEOCQBJH-KRWDZBQOSA-N 1 1 314.433 2.343 50 0 DEAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCc1c[nH]cn1 ZINC000091644729 193083869 /nfs/dbraw/zinc/08/38/69/193083869.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 1 1 304.438 2.113 50 0 DEAAMO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1cnc[nH]1 ZINC000091644729 193083871 /nfs/dbraw/zinc/08/38/71/193083871.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 1 1 304.438 2.113 50 0 DEAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCc1cnc[nH]1 ZINC000091644729 193083873 /nfs/dbraw/zinc/08/38/73/193083873.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 1 1 304.438 2.113 50 0 DEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc([C@H]2CCCO2)s1 ZINC000092066005 193151242 /nfs/dbraw/zinc/15/12/42/193151242.db2.gz JEXKCBSIYBKGJO-CYBMUJFWSA-N 1 1 324.446 2.052 50 0 DEAAMO COc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000093017964 193195238 /nfs/dbraw/zinc/19/52/38/193195238.db2.gz GUPHPDRTRSRTRC-QGZVFWFLSA-N 1 1 304.434 2.239 50 0 DEAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000048367962 284189700 /nfs/dbraw/zinc/18/97/00/284189700.db2.gz JFBSTNHOKASZRU-PMPSAXMXSA-N 1 1 316.401 2.092 50 0 DEAAMO Cc1ccccc1OCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000015831454 182019848 /nfs/dbraw/zinc/01/98/48/182019848.db2.gz XFJBMOPWMSPPRP-CQSZACIVSA-N 1 1 302.374 2.386 50 0 DEAAMO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+](C)C)o1 ZINC000015860105 182022516 /nfs/dbraw/zinc/02/25/16/182022516.db2.gz ILDHUYDSZHLCGB-HNNXBMFYSA-N 1 1 302.374 2.386 50 0 DEAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218122 182108384 /nfs/dbraw/zinc/10/83/84/182108384.db2.gz YCLKWVCWITWWAT-CQSZACIVSA-N 1 1 321.509 2.343 50 0 DEAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218122 182108385 /nfs/dbraw/zinc/10/83/85/182108385.db2.gz YCLKWVCWITWWAT-CQSZACIVSA-N 1 1 321.509 2.343 50 0 DEAAMO Cc1noc(C)c1-c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000020905926 182253356 /nfs/dbraw/zinc/25/33/56/182253356.db2.gz XFQMSCCWOAQHFP-INIZCTEOSA-N 1 1 302.374 2.324 50 0 DEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000020819810 182248027 /nfs/dbraw/zinc/24/80/27/182248027.db2.gz NLNKMFROCWAXMU-UHFFFAOYSA-N 1 1 317.477 2.351 50 0 DEAAMO O=C(NCCC[NH+]1CCOCC1)Nc1c[nH]c2ccccc12 ZINC000022998005 182344295 /nfs/dbraw/zinc/34/42/95/182344295.db2.gz YUEVTDPKBRXNEL-UHFFFAOYSA-N 1 1 302.378 2.012 50 0 DEAAMO CC(C)c1ccc(CCNC(=O)CN2CCC[N@@H+](C)CC2)cc1 ZINC000039780845 183021471 /nfs/dbraw/zinc/02/14/71/183021471.db2.gz JDFXJHFSGRHDFY-UHFFFAOYSA-N 1 1 317.477 2.106 50 0 DEAAMO O=C(c1ccc[nH]c1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040514243 183089050 /nfs/dbraw/zinc/08/90/50/183089050.db2.gz ZZIHCLZAQFPRMF-UHFFFAOYSA-N 1 1 317.414 2.197 50 0 DEAAMO Cn1cc[nH+]c1CC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000105793664 194128930 /nfs/dbraw/zinc/12/89/30/194128930.db2.gz XLHDDSMVIFPLKH-UHFFFAOYSA-N 1 1 323.400 2.116 50 0 DEAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@@H](O)COCc2cccs2)cn1 ZINC000106655330 194241411 /nfs/dbraw/zinc/24/14/11/194241411.db2.gz HKTJJFWMHJXTSK-GDBMZVCRSA-N 1 1 321.446 2.196 50 0 DEAAMO Cc1nccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000058304779 184102757 /nfs/dbraw/zinc/10/27/57/184102757.db2.gz QAJBYFMJHJBDFN-QGZVFWFLSA-N 1 1 310.401 2.066 50 0 DEAAMO COc1ccccc1C[NH2+]CC(=O)Nc1ccc(N(C)C)cc1 ZINC000058445943 184118950 /nfs/dbraw/zinc/11/89/50/184118950.db2.gz HXFVAQNZGDMZMX-UHFFFAOYSA-N 1 1 313.401 2.490 50 0 DEAAMO Cc1ncc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000065412823 184340940 /nfs/dbraw/zinc/34/09/40/184340940.db2.gz HXJMAVDAZFZUAX-UHFFFAOYSA-N 1 1 301.415 2.240 50 0 DEAAMO Cc1ncc(C(=O)NCC[N@H+]2CCc3ccccc3C2)s1 ZINC000065412823 184340941 /nfs/dbraw/zinc/34/09/41/184340941.db2.gz HXJMAVDAZFZUAX-UHFFFAOYSA-N 1 1 301.415 2.240 50 0 DEAAMO CNc1ncc(CN(C)C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)cn1 ZINC000065455095 184347868 /nfs/dbraw/zinc/34/78/68/184347868.db2.gz OXQOATHAFMRLOW-GFCCVEGCSA-N 1 1 316.409 2.058 50 0 DEAAMO O=C(CC[N@H+]1CC[C@@H](CNc2ccccn2)C1)NC1CCCC1 ZINC000065457938 184348241 /nfs/dbraw/zinc/34/82/41/184348241.db2.gz YPDUNKVRCVDARI-HNNXBMFYSA-N 1 1 316.449 2.264 50 0 DEAAMO CC(C)Cc1noc([C@H]2CCC[N@@H+](Cc3cnc(N)nc3)C2)n1 ZINC000065530178 184361182 /nfs/dbraw/zinc/36/11/82/184361182.db2.gz HWUAYBUTWVGZBO-ZDUSSCGKSA-N 1 1 316.409 2.020 50 0 DEAAMO CCCOc1cccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000065499696 184355312 /nfs/dbraw/zinc/35/53/12/184355312.db2.gz MUFBEPFNUIRUHM-WBVHZDCISA-N 1 1 318.417 2.068 50 0 DEAAMO COCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065625608 184375568 /nfs/dbraw/zinc/37/55/68/184375568.db2.gz BZCRMANFUKWREG-SJORKVTESA-N 1 1 302.418 2.288 50 0 DEAAMO Cn1cc(CCCNC(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000095377937 257271994 /nfs/dbraw/zinc/27/19/94/257271994.db2.gz CCOYNDRUXSVKGY-INIZCTEOSA-N 1 1 318.465 2.124 50 0 DEAAMO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1c[nH]nc1-c1cccc(F)c1 ZINC000219821440 257273822 /nfs/dbraw/zinc/27/38/22/257273822.db2.gz CRPPGUMCWPTXQY-LLVKDONJSA-N 1 1 304.369 2.124 50 0 DEAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1c[nH]nc1-c1cccc(F)c1 ZINC000219821440 257273823 /nfs/dbraw/zinc/27/38/23/257273823.db2.gz CRPPGUMCWPTXQY-LLVKDONJSA-N 1 1 304.369 2.124 50 0 DEAAMO Cc1noc([C@]23CCC[C@H]2C[N@@H+](CCCn2ccnc2C)C3)n1 ZINC000685940733 542768572 /nfs/dbraw/zinc/76/85/72/542768572.db2.gz HCVXJYJIPKJPMM-RDJZCZTQSA-N 1 1 315.421 2.327 50 0 DEAAMO Cc1cc(OC[C@H](O)C[N@@H+](C)CCO)c(C(C)C)cc1Cl ZINC000006938881 401734613 /nfs/dbraw/zinc/73/46/13/401734613.db2.gz FCJQUICJQYGJKP-CYBMUJFWSA-N 1 1 315.841 2.436 50 0 DEAAMO C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000007786583 401744412 /nfs/dbraw/zinc/74/44/12/401744412.db2.gz QTQYQZNGSCSSDO-UHFFFAOYSA-N 1 1 304.390 2.296 50 0 DEAAMO C[N@@H+](C[C@H](O)c1ccccc1)C[C@@H]1CCCN1c1cccnn1 ZINC000071859991 401688679 /nfs/dbraw/zinc/68/86/79/401688679.db2.gz GUEZXRZOBJZBSR-IRXDYDNUSA-N 1 1 312.417 2.111 50 0 DEAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000071876682 401691002 /nfs/dbraw/zinc/69/10/02/401691002.db2.gz QWACPMGFXZEZFJ-WBVHZDCISA-N 1 1 312.417 2.400 50 0 DEAAMO 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C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C[C@H]1COCCO1 ZINC000072459156 191172384 /nfs/dbraw/zinc/17/23/84/191172384.db2.gz BGMLTYWFPPBLJT-KRWDZBQOSA-N 1 1 307.434 2.237 50 0 DEAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000061328619 354624924 /nfs/dbraw/zinc/62/49/24/354624924.db2.gz MMHNWDDVYLCXAQ-ZRUFSTJUSA-N 1 1 323.466 2.063 50 0 DEAAMO NC(=O)c1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000343360871 283039743 /nfs/dbraw/zinc/03/97/43/283039743.db2.gz HLOCRHPYVRHSRK-IRXDYDNUSA-N 1 1 314.360 2.233 50 0 DEAAMO NC(=O)c1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000343360871 283039746 /nfs/dbraw/zinc/03/97/46/283039746.db2.gz HLOCRHPYVRHSRK-IRXDYDNUSA-N 1 1 314.360 2.233 50 0 DEAAMO c1c[nH]c(CN2CC[NH+](CCOC3CCCCCC3)CC2)n1 ZINC000076019786 355119540 /nfs/dbraw/zinc/11/95/40/355119540.db2.gz ZLBOSRMJXDXVBX-UHFFFAOYSA-N 1 1 306.454 2.267 50 0 DEAAMO C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000076088509 355125549 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C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000670460455 540936778 /nfs/dbraw/zinc/93/67/78/540936778.db2.gz YISQISMNFMDJRK-LBPRGKRZSA-N 1 1 302.378 2.084 50 0 DEAAMO OC[C@@H]1CCC[N@@H+](CCNc2ncccc2C(F)(F)F)C1 ZINC000670464102 540937852 /nfs/dbraw/zinc/93/78/52/540937852.db2.gz IRJCJLDUXQKYBH-LLVKDONJSA-N 1 1 303.328 2.217 50 0 DEAAMO Cc1cc(Cl)cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000194017422 201163124 /nfs/dbraw/zinc/16/31/24/201163124.db2.gz WBFFMZAMIBHWNA-QWHCGFSZSA-N 1 1 310.825 2.176 50 0 DEAAMO Cc1cc(Cl)cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000194017422 201163127 /nfs/dbraw/zinc/16/31/27/201163127.db2.gz WBFFMZAMIBHWNA-QWHCGFSZSA-N 1 1 310.825 2.176 50 0 DEAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnoc1C)C2 ZINC000091536581 193070418 /nfs/dbraw/zinc/07/04/18/193070418.db2.gz ZPUGMEDFCIIAKC-HUUCEWRRSA-N 1 1 303.406 2.486 50 0 DEAAMO CCC[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1NC(=O)CSC ZINC000091505051 193066243 /nfs/dbraw/zinc/06/62/43/193066243.db2.gz 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CCCCOc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000091864979 193120445 /nfs/dbraw/zinc/12/04/45/193120445.db2.gz GCJOFIVITKUTIF-HNNXBMFYSA-N 1 1 303.406 2.075 50 0 DEAAMO COCCC[C@@]1(CO)CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000091895998 193124181 /nfs/dbraw/zinc/12/41/81/193124181.db2.gz TVUOVMZVLBXHCW-KRWDZBQOSA-N 1 1 307.438 2.219 50 0 DEAAMO COCCC[C@]1(CO)CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000091895995 193124303 /nfs/dbraw/zinc/12/43/03/193124303.db2.gz TVUOVMZVLBXHCW-QGZVFWFLSA-N 1 1 307.438 2.219 50 0 DEAAMO Cc1ccn(CCCNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000095367444 193433426 /nfs/dbraw/zinc/43/34/26/193433426.db2.gz HLGZDSBTWUEJEG-KRWDZBQOSA-N 1 1 314.433 2.309 50 0 DEAAMO CC1CCC2(CC1)OC[C@@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)O2 ZINC000095990388 193481776 /nfs/dbraw/zinc/48/17/76/193481776.db2.gz IQCPJOZVJMPGNB-WKPSDNRBSA-N 1 1 318.417 2.124 50 0 DEAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccco1 ZINC000015831441 182019754 /nfs/dbraw/zinc/01/97/54/182019754.db2.gz 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302.418 2.449 50 0 DEAAMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCS1 ZINC000371253876 148078123 /nfs/dbraw/zinc/07/81/23/148078123.db2.gz OVTZUAUMIAAFKE-QXSJWSMHSA-N 1 1 302.443 2.129 50 0 DEAAMO CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000253424862 286029351 /nfs/dbraw/zinc/02/93/51/286029351.db2.gz LEJTXQRQRPNXND-PMPSAXMXSA-N 1 1 320.437 2.323 50 0 DEAAMO Cc1ccc([C@@H](C(=O)N2CCC3(CCO3)CC2)[NH+](C)C)cc1 ZINC000095372108 292190134 /nfs/dbraw/zinc/19/01/34/292190134.db2.gz QYPYQYXXSPFWIJ-INIZCTEOSA-N 1 1 302.418 2.379 50 0 DEAAMO C[NH+]1CCN(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000004395660 401725953 /nfs/dbraw/zinc/72/59/53/401725953.db2.gz WRIOFEFYNKVYKE-UHFFFAOYSA-N 1 1 323.396 2.203 50 0 DEAAMO Cc1ncc(C[N@@H+](C)C[C@H]2CCCN2c2cccnn2)s1 ZINC000071860054 401688638 /nfs/dbraw/zinc/68/86/38/401688638.db2.gz ZMRFLGPSHPEAIC-CYBMUJFWSA-N 1 1 303.435 2.342 50 0 DEAAMO Cc1cccc2nc(C[N@@H+]3CCCC[C@@H]3Cn3cncn3)cn21 ZINC000071876380 401690937 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CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194593291 201258746 /nfs/dbraw/zinc/25/87/46/201258746.db2.gz QKEUMJCWSUNPMV-ZDUSSCGKSA-N 1 1 316.854 2.162 50 0 DEAAMO CC(C)c1noc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000091380760 193048386 /nfs/dbraw/zinc/04/83/86/193048386.db2.gz HNEXCVMUYLOTNA-LSDHHAIUSA-N 1 1 304.438 2.499 50 0 DEAAMO Cc1cc(N2C[C@@H]3CCC[NH2+][C@@H]3C2)nc(-c2ccccc2O)n1 ZINC000091781562 193107030 /nfs/dbraw/zinc/10/70/30/193107030.db2.gz RSRXFIHCPTXACE-DZGCQCFKSA-N 1 1 310.401 2.346 50 0 DEAAMO CCCCOc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000091864976 193120107 /nfs/dbraw/zinc/12/01/07/193120107.db2.gz GCJOFIVITKUTIF-OAHLLOKOSA-N 1 1 303.406 2.075 50 0 DEAAMO CCCCOc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000091864976 193120109 /nfs/dbraw/zinc/12/01/09/193120109.db2.gz GCJOFIVITKUTIF-OAHLLOKOSA-N 1 1 303.406 2.075 50 0 DEAAMO COCC[N@H+](C)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091915173 193125549 /nfs/dbraw/zinc/12/55/49/193125549.db2.gz AHZDNOITIPLQKC-UHFFFAOYSA-N 1 1 322.424 2.185 50 0 DEAAMO COCC[N@@H+](C)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091915173 193125551 /nfs/dbraw/zinc/12/55/51/193125551.db2.gz AHZDNOITIPLQKC-UHFFFAOYSA-N 1 1 322.424 2.185 50 0 DEAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)C1CC1)C2 ZINC000091933104 193128607 /nfs/dbraw/zinc/12/86/07/193128607.db2.gz SGIYBIGSXKFLNF-DZGCQCFKSA-N 1 1 303.406 2.124 50 0 DEAAMO COc1cccc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000007059182 181436601 /nfs/dbraw/zinc/43/66/01/181436601.db2.gz DWMWCPWTOFABCO-HNNXBMFYSA-N 1 1 302.374 2.250 50 0 DEAAMO CC(C)c1[nH+]ccn1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097236128 193696533 /nfs/dbraw/zinc/69/65/33/193696533.db2.gz CMSZCCKGJCJROT-UHFFFAOYSA-N 1 1 307.419 2.305 50 0 DEAAMO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cc[n+]([O-])cc1 ZINC000015075020 181987172 /nfs/dbraw/zinc/98/71/72/181987172.db2.gz DGDGWMFKDYUIGO-KRWDZBQOSA-N 1 1 317.433 2.095 50 0 DEAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218128 182108265 /nfs/dbraw/zinc/10/82/65/182108265.db2.gz YCLKWVCWITWWAT-AWEZNQCLSA-N 1 1 321.509 2.343 50 0 DEAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218128 182108266 /nfs/dbraw/zinc/10/82/66/182108266.db2.gz YCLKWVCWITWWAT-AWEZNQCLSA-N 1 1 321.509 2.343 50 0 DEAAMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1Br ZINC000160654648 197429193 /nfs/dbraw/zinc/42/91/93/197429193.db2.gz JPQVNRYUPNYOCV-LLVKDONJSA-N 1 1 311.223 2.439 50 0 DEAAMO C[NH+]1CCN(C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000019908397 182163021 /nfs/dbraw/zinc/16/30/21/182163021.db2.gz RVHDOHUYDOETIA-UHFFFAOYSA-N 1 1 319.474 2.246 50 0 DEAAMO C[N@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccccc3)s2)C1 ZINC000020385441 182213416 /nfs/dbraw/zinc/21/34/16/182213416.db2.gz UURRVNXUXYXBJE-CYBMUJFWSA-N 1 1 301.415 2.378 50 0 DEAAMO COC(=O)c1ccc(-c2ccc(CNCC[NH+](C)C)o2)cc1 ZINC000020661034 182242101 /nfs/dbraw/zinc/24/21/01/182242101.db2.gz XOBVFJYBSIDYPR-UHFFFAOYSA-N 1 1 302.374 2.384 50 0 DEAAMO Cc1cnc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000022619873 182328628 /nfs/dbraw/zinc/32/86/28/182328628.db2.gz CDGFVGZMIKBWBJ-HNNXBMFYSA-N 1 1 318.808 2.471 50 0 DEAAMO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000022875180 182339039 /nfs/dbraw/zinc/33/90/39/182339039.db2.gz QKAUEQWQCGNHQT-CYBMUJFWSA-N 1 1 310.825 2.062 50 0 DEAAMO O=C(C[C@@H]1C=CCC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024148823 182376023 /nfs/dbraw/zinc/37/60/23/182376023.db2.gz FFPPSJLXUSZVLW-MRXNPFEDSA-N 1 1 314.429 2.491 50 0 DEAAMO CC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000024682780 182386690 /nfs/dbraw/zinc/38/66/90/182386690.db2.gz RLMGWJCVHNNWDZ-UHFFFAOYSA-N 1 1 324.446 2.044 50 0 DEAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc2nsnc2c1)c1ccco1 ZINC000038629933 183004605 /nfs/dbraw/zinc/00/46/05/183004605.db2.gz OEZHYNHSPIVVLD-ZDUSSCGKSA-N 1 1 316.386 2.317 50 0 DEAAMO CC(=O)Nc1nc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000042723292 183301707 /nfs/dbraw/zinc/30/17/07/183301707.db2.gz HBKNILIQPXMZLM-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/06/92/16/184069216.db2.gz AQJFVCLUGMLYIF-UHFFFAOYSA-N 1 1 317.477 2.487 50 0 DEAAMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058201273 184086931 /nfs/dbraw/zinc/08/69/31/184086931.db2.gz UZQNSJGOOZGFEN-GDBMZVCRSA-N 1 1 310.463 2.399 50 0 DEAAMO COCCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000058214696 184089362 /nfs/dbraw/zinc/08/93/62/184089362.db2.gz MBPQOKGELBXDMX-OAHLLOKOSA-N 1 1 320.433 2.172 50 0 DEAAMO Cc1csc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CC2)n1 ZINC000058155822 184081285 /nfs/dbraw/zinc/08/12/85/184081285.db2.gz UKQYFLSOUFCBNJ-ZDUSSCGKSA-N 1 1 324.494 2.267 50 0 DEAAMO Cc1csc(N2CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)CC2)n1 ZINC000058155822 184081286 /nfs/dbraw/zinc/08/12/86/184081286.db2.gz UKQYFLSOUFCBNJ-ZDUSSCGKSA-N 1 1 324.494 2.267 50 0 DEAAMO CCc1ccc2oc(=O)cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000065405611 184338849 /nfs/dbraw/zinc/33/88/49/184338849.db2.gz DUATXUCYMFKUEA-CYBMUJFWSA-N 1 1 314.385 2.053 50 0 DEAAMO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCCC1 ZINC000065463011 184349720 /nfs/dbraw/zinc/34/97/20/184349720.db2.gz XCGPKGTUWZPQKT-GDBMZVCRSA-N 1 1 320.481 2.298 50 0 DEAAMO COCc1nc(C)c(CNc2nc(N(C)C)c(C)c[nH+]2)s1 ZINC000065489642 184353228 /nfs/dbraw/zinc/35/32/28/184353228.db2.gz YTJAWQGBGKSJKO-UHFFFAOYSA-N 1 1 307.423 2.374 50 0 DEAAMO COc1ccccc1CNC(=O)C[NH2+]Cc1cc(F)ccc1F ZINC000065396403 184335477 /nfs/dbraw/zinc/33/54/77/184335477.db2.gz LUEFWTMRXWFXJU-UHFFFAOYSA-N 1 1 320.339 2.379 50 0 DEAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000065402328 184337457 /nfs/dbraw/zinc/33/74/57/184337457.db2.gz FQTAFEQVFJERET-GFCCVEGCSA-N 1 1 302.378 2.131 50 0 DEAAMO CC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000065404138 184337828 /nfs/dbraw/zinc/33/78/28/184337828.db2.gz XIUCRGBCJJMFTE-UHFFFAOYSA-N 1 1 306.797 2.412 50 0 DEAAMO O[C@H](COc1ccccc1)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000065541128 184363463 /nfs/dbraw/zinc/36/34/63/184363463.db2.gz SBLJHXCEDOPBCC-HNNXBMFYSA-N 1 1 301.390 2.029 50 0 DEAAMO C[N@@H+](CCNC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000065495237 184354635 /nfs/dbraw/zinc/35/46/35/184354635.db2.gz QUWKKWYWXKZGOJ-UHFFFAOYSA-N 1 1 318.808 2.350 50 0 DEAAMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)[nH]c21 ZINC000156356550 197107055 /nfs/dbraw/zinc/10/70/55/197107055.db2.gz JURYWYYQMVVINL-UONOGXRCSA-N 1 1 314.433 2.390 50 0 DEAAMO Cc1noc([C@]23CCC[C@H]2C[N@H+](CCCc2cncn2C)C3)n1 ZINC000685940745 542768613 /nfs/dbraw/zinc/76/86/13/542768613.db2.gz HLZXLUNTUGAEDM-YOEHRIQHSA-N 1 1 315.421 2.098 50 0 DEAAMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCCS1 ZINC000371253878 148077578 /nfs/dbraw/zinc/07/75/78/148077578.db2.gz OVTZUAUMIAAFKE-XUWVNRHRSA-N 1 1 302.443 2.129 50 0 DEAAMO CC[C@H](C)Nc1nc(N2CCOCC2)nc(N[C@@H](C)CC)[nH+]1 ZINC000004673396 401726745 /nfs/dbraw/zinc/72/67/45/401726745.db2.gz PFJPWMYPHMCVFV-RYUDHWBXSA-N 1 1 308.430 2.129 50 0 DEAAMO CC[C@H](C)Nc1nc(N[C@@H](C)CC)[nH+]c(N2CCOCC2)n1 ZINC000004673396 401726746 /nfs/dbraw/zinc/72/67/46/401726746.db2.gz PFJPWMYPHMCVFV-RYUDHWBXSA-N 1 1 308.430 2.129 50 0 DEAAMO CCC[N@@H+](C[C@H](O)COc1cccc(C(=O)OC)c1)CC1CC1 ZINC000006881725 401733512 /nfs/dbraw/zinc/73/35/12/401733512.db2.gz RBXKSMDSCGDUIW-INIZCTEOSA-N 1 1 321.417 2.335 50 0 DEAAMO CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000007001869 401735098 /nfs/dbraw/zinc/73/50/98/401735098.db2.gz MIBBHFPYMLBIOK-LBPRGKRZSA-N 1 1 305.403 2.429 50 0 DEAAMO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000071892981 401693372 /nfs/dbraw/zinc/69/33/72/401693372.db2.gz VVVRAPAOLAMBFQ-NSHDSACASA-N 1 1 307.394 2.009 50 0 DEAAMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000071892981 401693375 /nfs/dbraw/zinc/69/33/75/401693375.db2.gz VVVRAPAOLAMBFQ-NSHDSACASA-N 1 1 307.394 2.009 50 0 DEAAMO C[C@@H]1SCC[N@@H+](C[C@H](O)Cn2cccn2)[C@H]1c1ccccc1 ZINC000071911177 401696339 /nfs/dbraw/zinc/69/63/39/401696339.db2.gz ANKWNLOVISWQIF-BHYGNILZSA-N 1 1 317.458 2.423 50 0 DEAAMO Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000000422374 401697471 /nfs/dbraw/zinc/69/74/71/401697471.db2.gz KIZUJRJRHKKWLG-SECBINFHSA-N 1 1 303.391 2.069 50 0 DEAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000072268697 401705137 /nfs/dbraw/zinc/70/51/37/401705137.db2.gz WORGLUQZWPHXGU-OLZOCXBDSA-N 1 1 322.371 2.431 50 0 DEAAMO Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)no1 ZINC000072294954 401707198 /nfs/dbraw/zinc/70/71/98/401707198.db2.gz VUEUKPYBCJCJIY-LSDHHAIUSA-N 1 1 320.437 2.347 50 0 DEAAMO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000072309426 401708389 /nfs/dbraw/zinc/70/83/89/401708389.db2.gz LMQVLCJRXGUNNF-NWDGAFQWSA-N 1 1 301.394 2.306 50 0 DEAAMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000072309426 401708392 /nfs/dbraw/zinc/70/83/92/401708392.db2.gz LMQVLCJRXGUNNF-NWDGAFQWSA-N 1 1 301.394 2.306 50 0 DEAAMO C[N@@H+](CCO)C[C@@H](O)CN(c1ccccc1)c1ccccc1 ZINC000001819745 401710949 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C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000047331033 424824883 /nfs/dbraw/zinc/82/48/83/424824883.db2.gz URLXUAYGKYDELI-VXGBXAGGSA-N 1 1 300.424 2.008 50 0 DEAAMO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C(N)=O)C3)n2)cc1 ZINC000048027214 424830199 /nfs/dbraw/zinc/83/01/99/424830199.db2.gz BJPZFRRQSBCWIK-AWEZNQCLSA-N 1 1 314.389 2.167 50 0 DEAAMO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](C(N)=O)C3)n2)cc1 ZINC000048027214 424830201 /nfs/dbraw/zinc/83/02/01/424830201.db2.gz BJPZFRRQSBCWIK-AWEZNQCLSA-N 1 1 314.389 2.167 50 0 DEAAMO O=C(/C=C\c1ccccc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000103423650 424848641 /nfs/dbraw/zinc/84/86/41/424848641.db2.gz SQWZNIOSEXCWRZ-LPADLIQXSA-N 1 1 314.429 2.413 50 0 DEAAMO NC(=O)c1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2)cc1 ZINC000252508987 424888384 /nfs/dbraw/zinc/88/83/84/424888384.db2.gz YAFITGVAWKNSDZ-UHFFFAOYSA-N 1 1 318.804 2.433 50 0 DEAAMO O=C(N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1CO)C1CCC1 ZINC000257194369 424888942 /nfs/dbraw/zinc/88/89/42/424888942.db2.gz TXUOSTWPMNRSTN-GOEBONIOSA-N 1 1 322.836 2.049 50 0 DEAAMO O=C(N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CO)C1CCC1 ZINC000257194369 424888945 /nfs/dbraw/zinc/88/89/45/424888945.db2.gz TXUOSTWPMNRSTN-GOEBONIOSA-N 1 1 322.836 2.049 50 0 DEAAMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NC1CCCC1 ZINC000241446962 274049270 /nfs/dbraw/zinc/04/92/70/274049270.db2.gz NQABWWLDUSIUIR-KRWDZBQOSA-N 1 1 304.434 2.235 50 0 DEAAMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NC1CCCC1 ZINC000241446962 274049271 /nfs/dbraw/zinc/04/92/71/274049271.db2.gz NQABWWLDUSIUIR-KRWDZBQOSA-N 1 1 304.434 2.235 50 0 DEAAMO C[C@@H]1CN(C(=O)c2csc(C[NH3+])n2)c2ccc(F)cc2O1 ZINC000237639590 274332273 /nfs/dbraw/zinc/33/22/73/274332273.db2.gz RXWLNBMVFYAQLE-MRVPVSSYSA-N 1 1 307.350 2.169 50 0 DEAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)NCCc1csc(N(C)C)n1 ZINC000089959051 276005075 /nfs/dbraw/zinc/00/50/75/276005075.db2.gz AUSRWYORTXKDEA-CQSZACIVSA-N 1 1 324.494 2.132 50 0 DEAAMO CCOC(=O)[C@@H]1C[C@@]2(c3cccc(C)c3NC2=O)[N@H+]2CCC[C@@H]12 ZINC000015022585 276289417 /nfs/dbraw/zinc/28/94/17/276289417.db2.gz DZKLHXXOODGCMW-IAISJRAMSA-N 1 1 314.385 2.190 50 0 DEAAMO C[N@H+]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1(C)C ZINC000219579894 277095989 /nfs/dbraw/zinc/09/59/89/277095989.db2.gz AQTOLDZAFHPWAL-CQSZACIVSA-N 1 1 307.825 2.229 50 0 DEAAMO CC(C)CCN1CC2(CCN(C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479881 277353837 /nfs/dbraw/zinc/35/38/37/277353837.db2.gz SKJYLNKCQOVJCK-INIZCTEOSA-N 1 1 323.481 2.319 50 0 DEAAMO COc1cccc(C[C@H]2C[N@@H+](CCCn3cccn3)CCO2)c1 ZINC000014958791 278014734 /nfs/dbraw/zinc/01/47/34/278014734.db2.gz XBXNTSJIZPHPHZ-SFHVURJKSA-N 1 1 315.417 2.225 50 0 DEAAMO CCn1ccnc1CN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095392378 288716898 /nfs/dbraw/zinc/71/68/98/288716898.db2.gz PSAFVSLMRLNDDL-KRWDZBQOSA-N 1 1 314.433 2.473 50 0 DEAAMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000253429213 295249548 /nfs/dbraw/zinc/24/95/48/295249548.db2.gz CDWUUVQCTXSZHP-XJKSGUPXSA-N 1 1 309.431 2.267 50 0 DEAAMO COc1ccc2c(c1O)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000006520320 295277650 /nfs/dbraw/zinc/27/76/50/295277650.db2.gz CDGFTOARGCEWKI-SUNYJGFJSA-N 1 1 301.386 2.268 50 0 DEAAMO Cc1ncc(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)s1 ZINC000091254538 332102370 /nfs/dbraw/zinc/10/23/70/332102370.db2.gz ZLGNHZDGYZDQCF-AWEZNQCLSA-N 1 1 323.462 2.169 50 0 DEAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12 ZINC000534592714 334294626 /nfs/dbraw/zinc/29/46/26/334294626.db2.gz GXCJZIIBIMXJPQ-HOCLYGCPSA-N 1 1 316.401 2.037 50 0 DEAAMO CC(C)[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)c1nccn1C ZINC000534674539 334321717 /nfs/dbraw/zinc/32/17/17/334321717.db2.gz ZMFYQNAJNFATBQ-AWEZNQCLSA-N 1 1 304.394 2.202 50 0 DEAAMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000162862209 337383432 /nfs/dbraw/zinc/38/34/32/337383432.db2.gz LMURDAXWRFYRPI-SFHVURJKSA-N 1 1 323.481 2.001 50 0 DEAAMO O=S(=O)(c1ccc2ccccc2c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000239025290 534873271 /nfs/dbraw/zinc/87/32/71/534873271.db2.gz BIVYWNDJPDOSOK-INIZCTEOSA-N 1 1 316.426 2.309 50 0 DEAAMO Cn1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)cn1 ZINC000011998403 635936153 /nfs/dbraw/zinc/93/61/53/635936153.db2.gz JYMJQSQNVZXODJ-IEZWGBDMSA-N 1 1 322.412 2.363 50 0 DEAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)NCC[C@@H]1CCCC[N@H+]1C ZINC000426500019 636338404 /nfs/dbraw/zinc/33/84/04/636338404.db2.gz AQTBOLUAWOFGNV-HNNXBMFYSA-N 1 1 321.469 2.085 50 0 DEAAMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000045096749 646460375 /nfs/dbraw/zinc/46/03/75/646460375.db2.gz YJERUOFHTXKYPS-OAHLLOKOSA-N 1 1 308.809 2.462 50 0 DEAAMO Cc1c[nH+]c(CCNC(=O)c2cn(C)cn2)n1C1CCCC1 ZINC000169787980 646629283 /nfs/dbraw/zinc/62/92/83/646629283.db2.gz OHJBQULHKBJTGA-UHFFFAOYSA-N 1 1 301.394 2.013 50 0 DEAAMO C[NH+]1CCN(c2cc(C(=O)N3CCc4ccccc43)ccn2)CC1 ZINC000068315970 648443994 /nfs/dbraw/zinc/44/39/94/648443994.db2.gz QRQNYRQIOFDJOB-UHFFFAOYSA-N 1 1 322.412 2.036 50 0 DEAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](Cn2cc(C(C)(C)C)nn2)C1 ZINC000020235207 683858745 /nfs/dbraw/zinc/85/87/45/683858745.db2.gz RTMAICYLQSTHEW-CQSZACIVSA-N 1 1 316.453 2.221 50 0 DEAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](Cn2cc(C(C)(C)C)nn2)C1 ZINC000020235207 683858750 /nfs/dbraw/zinc/85/87/50/683858750.db2.gz RTMAICYLQSTHEW-CQSZACIVSA-N 1 1 316.453 2.221 50 0 DEAAMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCc4n[nH]cc4C3)cc2c1 ZINC000067603929 683924841 /nfs/dbraw/zinc/92/48/41/683924841.db2.gz ACWXNJQSNZMTAG-UHFFFAOYSA-N 1 1 324.384 2.208 50 0 DEAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CCc4n[nH]cc4C3)cc2c1 ZINC000067603929 683924845 /nfs/dbraw/zinc/92/48/45/683924845.db2.gz ACWXNJQSNZMTAG-UHFFFAOYSA-N 1 1 324.384 2.208 50 0 DEAAMO COc1ccc(C)nc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000127339126 684162655 /nfs/dbraw/zinc/16/26/55/684162655.db2.gz HQNFQOMLMJKGNL-ZDUSSCGKSA-N 1 1 304.394 2.101 50 0 DEAAMO CC[N@@H+](CC(C)(C)O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000158174657 684296740 /nfs/dbraw/zinc/29/67/40/684296740.db2.gz RAWNBXLAMJPNNK-HNNXBMFYSA-N 1 1 308.397 2.414 50 0 DEAAMO Cc1nc(CO[C@H]2CCC[N@@H+](Cc3ccc(C)cn3)C2)no1 ZINC000675015886 778335271 /nfs/dbraw/zinc/33/52/71/778335271.db2.gz ASIKSKYMJCUBNJ-HNNXBMFYSA-N 1 1 302.378 2.263 50 0 DEAAMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccon3)C2)o1 ZINC000825198113 783619950 /nfs/dbraw/zinc/61/99/50/783619950.db2.gz XLDGBADRKKOBGK-CYBMUJFWSA-N 1 1 303.362 2.218 50 0 DEAAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000581806814 784784368 /nfs/dbraw/zinc/78/43/68/784784368.db2.gz ZRQOCQMSGNOFHG-HNNXBMFYSA-N 1 1 319.449 2.419 50 0 DEAAMO COCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)NC(C)(C)C)C1 ZINC000581806783 784784645 /nfs/dbraw/zinc/78/46/45/784784645.db2.gz XZJRBWOCINGYDR-CQSZACIVSA-N 1 1 322.453 2.210 50 0 DEAAMO O=C(CN1CCCCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000952979351 792844465 /nfs/dbraw/zinc/84/44/65/792844465.db2.gz UPQKVVXIRUXRAZ-SFHVURJKSA-N 1 1 315.461 2.253 50 0 DEAAMO O=C(CN1CCCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000952979351 792844473 /nfs/dbraw/zinc/84/44/73/792844473.db2.gz UPQKVVXIRUXRAZ-SFHVURJKSA-N 1 1 315.461 2.253 50 0 DEAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCC1(O)C2CC3CC(C2)CC1C3 ZINC000952985117 792864689 /nfs/dbraw/zinc/86/46/89/792864689.db2.gz BVTYWMDVZVQYRK-CMPFZWEDSA-N 1 1 320.477 2.164 50 0 DEAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cccc(N)n1 ZINC000220065935 799273074 /nfs/dbraw/zinc/27/30/74/799273074.db2.gz ZRKIVAUBUNELJV-AWEZNQCLSA-N 1 1 313.405 2.254 50 0 DEAAMO OC[C@@]1(Cc2ccccc2)C[N@@H+](Cc2ccoc2)CC[C@@H]1O ZINC001529090926 1070845303 /nfs/dbraw/zinc/84/53/03/1070845303.db2.gz KNHIXYOFLMMVNM-ZWKOTPCHSA-N 1 1 301.386 2.068 50 0 DEAAMO Cc1ccc(OCC[N@H+]2CCC[C@](CO)(CN(C)C)C2)c(C)c1 ZINC001506415702 1061961006 /nfs/dbraw/zinc/96/10/06/1061961006.db2.gz BTQRSCLFNPVLMX-IBGZPJMESA-N 1 1 320.477 2.318 50 0 DEAAMO Cc1ccc(OCC[N@@H+]2CCC[C@](CO)(CN(C)C)C2)c(C)c1 ZINC001506415702 1061961021 /nfs/dbraw/zinc/96/10/21/1061961021.db2.gz BTQRSCLFNPVLMX-IBGZPJMESA-N 1 1 320.477 2.318 50 0 DEAAMO C[C@@H](CC(N)=O)[N@@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC001506421832 1061966385 /nfs/dbraw/zinc/96/63/85/1061966385.db2.gz WENLVQHVSDHXCQ-VIFPVBQESA-N 1 1 307.781 2.290 50 0 DEAAMO O=C(NCc1csc(C2CC2)n1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000095395570 185352772 /nfs/dbraw/zinc/35/27/72/185352772.db2.gz XCQDCLTWCDDRLJ-NSHDSACASA-N 1 1 320.462 2.304 50 0 DEAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000097002806 185396449 /nfs/dbraw/zinc/39/64/49/185396449.db2.gz SXTUHGNHDSCXOC-NSHDSACASA-N 1 1 320.817 2.242 50 0 DEAAMO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000095445811 185367612 /nfs/dbraw/zinc/36/76/12/185367612.db2.gz DOMPCZHTVFPBQQ-KGLIPLIRSA-N 1 1 322.474 2.219 50 0 DEAAMO Cc1ccc(F)c(NCc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000095448732 185368370 /nfs/dbraw/zinc/36/83/70/185368370.db2.gz WVWYXTFZWGSPNF-UHFFFAOYSA-N 1 1 315.396 2.288 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccc2c(c1)CCO2 ZINC000095472317 185372546 /nfs/dbraw/zinc/37/25/46/185372546.db2.gz BKAPTTHKMCFGGT-MRXNPFEDSA-N 1 1 302.418 2.155 50 0 DEAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)n[nH]1 ZINC000084110910 539392561 /nfs/dbraw/zinc/39/25/61/539392561.db2.gz WTAMNLWYGIONSK-INIZCTEOSA-N 1 1 324.428 2.487 50 0 DEAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)n[nH]1 ZINC000084110910 539392563 /nfs/dbraw/zinc/39/25/63/539392563.db2.gz WTAMNLWYGIONSK-INIZCTEOSA-N 1 1 324.428 2.487 50 0 DEAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)[nH]n1 ZINC000084110910 539392565 /nfs/dbraw/zinc/39/25/65/539392565.db2.gz WTAMNLWYGIONSK-INIZCTEOSA-N 1 1 324.428 2.487 50 0 DEAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)[nH]n1 ZINC000084110910 539392569 /nfs/dbraw/zinc/39/25/69/539392569.db2.gz WTAMNLWYGIONSK-INIZCTEOSA-N 1 1 324.428 2.487 50 0 DEAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000084714421 539398338 /nfs/dbraw/zinc/39/83/38/539398338.db2.gz AYSRTERLRJGALE-YJBOKZPZSA-N 1 1 307.482 2.051 50 0 DEAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000084810554 539399063 /nfs/dbraw/zinc/39/90/63/539399063.db2.gz OPMQAHURBBTMAP-INIZCTEOSA-N 1 1 320.433 2.442 50 0 DEAAMO CNc1cc[nH+]c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 ZINC000067803835 190722878 /nfs/dbraw/zinc/72/28/78/190722878.db2.gz VTITXFNEXQEHKU-UHFFFAOYSA-N 1 1 324.363 2.422 50 0 DEAAMO CC[N@@H+](CC(=O)N(C)Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000179163659 539638926 /nfs/dbraw/zinc/63/89/26/539638926.db2.gz UZLFFBIJILTVRB-UHFFFAOYSA-N 1 1 305.422 2.150 50 0 DEAAMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)o1 ZINC000193188686 539712115 /nfs/dbraw/zinc/71/21/15/539712115.db2.gz LRZJKIFFWMDFKT-BDAKNGLRSA-N 1 1 321.299 2.015 50 0 DEAAMO CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000071754946 191024606 /nfs/dbraw/zinc/02/46/06/191024606.db2.gz COXUEICKUNOYSR-AWEZNQCLSA-N 1 1 317.433 2.449 50 0 DEAAMO CCC[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000071853894 191032577 /nfs/dbraw/zinc/03/25/77/191032577.db2.gz UEFRQTXLOUYFSG-UHFFFAOYSA-N 1 1 313.401 2.086 50 0 DEAAMO FC(F)(F)c1ccnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000072124230 191041762 /nfs/dbraw/zinc/04/17/62/191041762.db2.gz GYFDQEFTLUUYAV-ZDUSSCGKSA-N 1 1 315.339 2.401 50 0 DEAAMO OC[C@H]1CCCC[N@H+]1CCNc1cc(Cl)c2cc[nH]c2n1 ZINC000072154597 191058731 /nfs/dbraw/zinc/05/87/31/191058731.db2.gz PSGBRKSWQUMPCP-LLVKDONJSA-N 1 1 308.813 2.475 50 0 DEAAMO O=C(c1ccccc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072235825 191080903 /nfs/dbraw/zinc/08/09/03/191080903.db2.gz MHRNGESLAWLLOA-CABCVRRESA-N 1 1 308.809 2.011 50 0 DEAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000072270722 191094173 /nfs/dbraw/zinc/09/41/73/191094173.db2.gz GDZRBATUZLPEHQ-ZDUSSCGKSA-N 1 1 318.446 2.275 50 0 DEAAMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000072270722 191094175 /nfs/dbraw/zinc/09/41/75/191094175.db2.gz GDZRBATUZLPEHQ-ZDUSSCGKSA-N 1 1 318.446 2.275 50 0 DEAAMO COc1ccc(-c2cccc(C[C@@H]3[NH2+]CCN(C)C3=O)c2)cc1 ZINC000072352743 191129153 /nfs/dbraw/zinc/12/91/53/191129153.db2.gz SLFXJFSXEPLSSJ-SFHVURJKSA-N 1 1 310.397 2.335 50 0 DEAAMO O=C(NCCCSC1CCCCC1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072475683 191176911 /nfs/dbraw/zinc/17/69/11/191176911.db2.gz PDHVDSKBPCEYEN-OAHLLOKOSA-N 1 1 322.478 2.169 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185918 181083221 /nfs/dbraw/zinc/08/32/21/181083221.db2.gz KLSDYSGLGFIDTD-HOTGVXAUSA-N 1 1 321.417 2.010 50 0 DEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185917 181083408 /nfs/dbraw/zinc/08/34/08/181083408.db2.gz KLSDYSGLGFIDTD-CVEARBPZSA-N 1 1 321.417 2.010 50 0 DEAAMO c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cn3cncn3)cc2)cn1 ZINC000069620989 354870924 /nfs/dbraw/zinc/87/09/24/354870924.db2.gz KTUGQWKFRSSGGU-KRWDZBQOSA-N 1 1 308.389 2.128 50 0 DEAAMO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1ccncc1F ZINC000618256981 363432722 /nfs/dbraw/zinc/43/27/22/363432722.db2.gz NNVHEUDXTUMAHI-LBPRGKRZSA-N 1 1 305.378 2.287 50 0 DEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccncc1F ZINC000618256981 363432729 /nfs/dbraw/zinc/43/27/29/363432729.db2.gz NNVHEUDXTUMAHI-LBPRGKRZSA-N 1 1 305.378 2.287 50 0 DEAAMO COc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256992 363433129 /nfs/dbraw/zinc/43/31/29/363433129.db2.gz NXGPSZFZBJMSBB-ZDUSSCGKSA-N 1 1 317.414 2.156 50 0 DEAAMO COc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256992 363433139 /nfs/dbraw/zinc/43/31/39/363433139.db2.gz NXGPSZFZBJMSBB-ZDUSSCGKSA-N 1 1 317.414 2.156 50 0 DEAAMO C[C@H]1C[N@H+](CCCc2cnn(C)c2)CCN1C(=O)OC(C)(C)C ZINC000076040457 355120443 /nfs/dbraw/zinc/12/04/43/355120443.db2.gz HERZTXQBEGAJJQ-AWEZNQCLSA-N 1 1 322.453 2.294 50 0 DEAAMO C[C@H]1C[N@@H+](CCCc2cnn(C)c2)CCN1C(=O)OC(C)(C)C ZINC000076040457 355120445 /nfs/dbraw/zinc/12/04/45/355120445.db2.gz HERZTXQBEGAJJQ-AWEZNQCLSA-N 1 1 322.453 2.294 50 0 DEAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)[nH]n1 ZINC000078901229 355284203 /nfs/dbraw/zinc/28/42/03/355284203.db2.gz LKDCOWRDXLXOCD-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccco3)C2)[nH]n1 ZINC000078901229 355284208 /nfs/dbraw/zinc/28/42/08/355284208.db2.gz LKDCOWRDXLXOCD-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)n[nH]1 ZINC000078901229 355284214 /nfs/dbraw/zinc/28/42/14/355284214.db2.gz LKDCOWRDXLXOCD-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccco3)C2)n[nH]1 ZINC000078901229 355284217 /nfs/dbraw/zinc/28/42/17/355284217.db2.gz LKDCOWRDXLXOCD-AWEZNQCLSA-N 1 1 316.405 2.149 50 0 DEAAMO OC[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000110692303 355744361 /nfs/dbraw/zinc/74/43/61/355744361.db2.gz ZCLYVVLYFOZDRE-TZMCWYRMSA-N 1 1 317.351 2.313 50 0 DEAAMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@H]3CCOC3)C2)c1 ZINC000110659064 355744409 /nfs/dbraw/zinc/74/44/09/355744409.db2.gz MUZVGFCUWPEBPD-CABCVRRESA-N 1 1 320.433 2.251 50 0 DEAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1 ZINC000178106252 356011569 /nfs/dbraw/zinc/01/15/69/356011569.db2.gz GOFWYGUVZQXIIS-CYBMUJFWSA-N 1 1 314.389 2.259 50 0 DEAAMO CCOc1c(F)cccc1C(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000080303877 192021959 /nfs/dbraw/zinc/02/19/59/192021959.db2.gz VKHDVMHATFCLSK-ZDUSSCGKSA-N 1 1 324.396 2.017 50 0 DEAAMO N[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000230462557 356283534 /nfs/dbraw/zinc/28/35/34/356283534.db2.gz VMJCSMOZRRTJSA-NJAFHUGGSA-N 1 1 313.445 2.162 50 0 DEAAMO N[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000230462557 356283536 /nfs/dbraw/zinc/28/35/36/356283536.db2.gz VMJCSMOZRRTJSA-NJAFHUGGSA-N 1 1 313.445 2.162 50 0 DEAAMO N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000230462481 356283853 /nfs/dbraw/zinc/28/38/53/356283853.db2.gz VMJCSMOZRRTJSA-NXHRZFHOSA-N 1 1 313.445 2.162 50 0 DEAAMO N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000230462481 356283857 /nfs/dbraw/zinc/28/38/57/356283857.db2.gz VMJCSMOZRRTJSA-NXHRZFHOSA-N 1 1 313.445 2.162 50 0 DEAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000584899819 357330414 /nfs/dbraw/zinc/33/04/14/357330414.db2.gz QVZLYFBWQUUKED-UHFFFAOYSA-N 1 1 314.433 2.481 50 0 DEAAMO CN1CC[N@H+](CCSc2ccc(Cl)cc2)C[C@@H]1CO ZINC000585136309 357336750 /nfs/dbraw/zinc/33/67/50/357336750.db2.gz AIMMPCOOMYOSEG-CYBMUJFWSA-N 1 1 300.855 2.040 50 0 DEAAMO CN1CC[N@@H+](CCSc2ccc(Cl)cc2)C[C@@H]1CO ZINC000585136309 357336752 /nfs/dbraw/zinc/33/67/52/357336752.db2.gz AIMMPCOOMYOSEG-CYBMUJFWSA-N 1 1 300.855 2.040 50 0 DEAAMO CC[C@@H](C)N(CCO)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000585137274 357338056 /nfs/dbraw/zinc/33/80/56/357338056.db2.gz QAXODWBXCOHPKY-WBVHZDCISA-N 1 1 319.449 2.063 50 0 DEAAMO CC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2cc(C)sc2C)C1 ZINC000670453396 540935530 /nfs/dbraw/zinc/93/55/30/540935530.db2.gz ISDYBQIKCMMMRZ-ZDUSSCGKSA-N 1 1 316.492 2.327 50 0 DEAAMO C[N@@H+](CC[C@@H]1CCOC1)CC1(N2CCOCC2)CCCCC1 ZINC000670451525 540935583 /nfs/dbraw/zinc/93/55/83/540935583.db2.gz BLOHLZXFHNGVEP-QGZVFWFLSA-N 1 1 310.482 2.380 50 0 DEAAMO O=c1c2ccncc2ncn1C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000670458583 540936827 /nfs/dbraw/zinc/93/68/27/540936827.db2.gz RRCJYKYMUQGIMK-AWEZNQCLSA-N 1 1 324.384 2.297 50 0 DEAAMO CC/C=C(/C[N@H+]1CCN(C(C)=O)C[C@H](O)C1)c1ccccc1 ZINC000670468362 540938434 /nfs/dbraw/zinc/93/84/34/540938434.db2.gz GAKNASYLDYQITD-CTUYBLSSSA-N 1 1 302.418 2.005 50 0 DEAAMO C[N@H+]1CCCN(C(=O)COc2ccc(F)cc2Cl)CC1 ZINC000006731143 181379139 /nfs/dbraw/zinc/37/91/39/181379139.db2.gz UEJWDUFNBBHDOZ-UHFFFAOYSA-N 1 1 300.761 2.022 50 0 DEAAMO CC[N@@H+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO ZINC000091594757 193077583 /nfs/dbraw/zinc/07/75/83/193077583.db2.gz SPVNJQFVJWFQQB-CHWSQXEVSA-N 1 1 316.367 2.096 50 0 DEAAMO CCC[C@H]1C[N@@H+](Cc2cnc(C)n2C)C[C@@H]1NC(=O)C1CCC1 ZINC000091468657 193060330 /nfs/dbraw/zinc/06/03/30/193060330.db2.gz BUQABOCTOTVXHI-RDJZCZTQSA-N 1 1 318.465 2.245 50 0 DEAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CC(N)=O)CC2)C1 ZINC000091656858 193085692 /nfs/dbraw/zinc/08/56/92/193085692.db2.gz NUIGVGWTHQGZLY-KRWDZBQOSA-N 1 1 315.461 2.063 50 0 DEAAMO COCC[C@]1(O)CC[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000091755831 193103145 /nfs/dbraw/zinc/10/31/45/193103145.db2.gz DJJKZLPEDMNGPG-RDTXWAMCSA-N 1 1 321.417 2.067 50 0 DEAAMO CSCC(=O)N[C@H]1C[N@@H+](CCc2ccccn2)C[C@@H]1C(C)C ZINC000091820142 193112525 /nfs/dbraw/zinc/11/25/25/193112525.db2.gz BSRWNNDHCDQWFT-CVEARBPZSA-N 1 1 321.490 2.060 50 0 DEAAMO [NH3+][C@H]1CCCCCN(c2nc(C(F)(F)F)nc3[nH]cnc32)C1 ZINC000630550115 367721593 /nfs/dbraw/zinc/72/15/93/367721593.db2.gz PTEYOUMEGLMQNV-QMMMGPOBSA-N 1 1 314.315 2.079 50 0 DEAAMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093530714 193265123 /nfs/dbraw/zinc/26/51/23/193265123.db2.gz LGLBMTMTIWGBNY-CQSZACIVSA-N 1 1 320.414 2.070 50 0 DEAAMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093530714 193265125 /nfs/dbraw/zinc/26/51/25/193265125.db2.gz LGLBMTMTIWGBNY-CQSZACIVSA-N 1 1 320.414 2.070 50 0 DEAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000008266578 181541784 /nfs/dbraw/zinc/54/17/84/181541784.db2.gz DEESLUCJZOYXNB-ZIAGYGMSSA-N 1 1 319.405 2.118 50 0 DEAAMO CCCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000019360334 182118717 /nfs/dbraw/zinc/11/87/17/182118717.db2.gz MZLLACQPYYMMHF-XJKSGUPXSA-N 1 1 309.479 2.341 50 0 DEAAMO CC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](C)CC3)c(=O)c2c1 ZINC000019793390 182149763 /nfs/dbraw/zinc/14/97/63/182149763.db2.gz AZKXQYQRRFMQCA-UHFFFAOYSA-N 1 1 313.401 2.199 50 0 DEAAMO CCOc1ccc2[nH]c(C)c(CN3CC[NH+](C)CC3)c(=O)c2c1 ZINC000019791989 182150294 /nfs/dbraw/zinc/15/02/94/182150294.db2.gz WIQWGPWVFUDJAP-UHFFFAOYSA-N 1 1 315.417 2.395 50 0 DEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000019902190 182162257 /nfs/dbraw/zinc/16/22/57/182162257.db2.gz AZMSPDRUYHTCCT-UHFFFAOYSA-N 1 1 302.418 2.452 50 0 DEAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C)c2)CC1 ZINC000019888712 182160879 /nfs/dbraw/zinc/16/08/79/182160879.db2.gz NTNJUHIEJDPCSF-UHFFFAOYSA-N 1 1 319.405 2.098 50 0 DEAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000020453764 182219290 /nfs/dbraw/zinc/21/92/90/182219290.db2.gz PTZLIPHJOAEPOT-LLVKDONJSA-N 1 1 314.788 2.177 50 0 DEAAMO OCC[C@H]1CN(Cc2ccon2)CC[N@H+]1CC1CCCCC1 ZINC000023358392 182357382 /nfs/dbraw/zinc/35/73/82/182357382.db2.gz LVSAAUPSMIQRIO-KRWDZBQOSA-N 1 1 307.438 2.124 50 0 DEAAMO CC(C)c1noc(CCCC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000040534864 183095173 /nfs/dbraw/zinc/09/51/73/183095173.db2.gz RROLNZVIBPUCJG-UONOGXRCSA-N 1 1 320.437 2.259 50 0 DEAAMO C[N@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@H]1CCO ZINC000104478150 194010106 /nfs/dbraw/zinc/01/01/06/194010106.db2.gz QBNLPTLCNOANHZ-CYBMUJFWSA-N 1 1 302.340 2.204 50 0 DEAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000056189031 184006568 /nfs/dbraw/zinc/00/65/68/184006568.db2.gz VAMAVBJKSHORJY-UHFFFAOYSA-N 1 1 316.380 2.098 50 0 DEAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(N(C)C)nc2)cn1 ZINC000058244700 184093857 /nfs/dbraw/zinc/09/38/57/184093857.db2.gz POCKKUDIOMOWGH-UHFFFAOYSA-N 1 1 322.372 2.289 50 0 DEAAMO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)C(=O)N(C)C ZINC000058391350 184111228 /nfs/dbraw/zinc/11/12/28/184111228.db2.gz GPPQAQGPLRDMQQ-CYBMUJFWSA-N 1 1 316.405 2.087 50 0 DEAAMO COc1c(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(C)nn1C ZINC000058393348 184112717 /nfs/dbraw/zinc/11/27/17/184112717.db2.gz YTANTPAIDJCJMP-UHFFFAOYSA-N 1 1 315.421 2.022 50 0 DEAAMO CC(C)c1noc(CCCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000060573253 184152370 /nfs/dbraw/zinc/15/23/70/184152370.db2.gz RROLNZVIBPUCJG-KBPBESRZSA-N 1 1 320.437 2.259 50 0 DEAAMO COc1cccc(-c2noc(Cn3cc[nH+]c3C)n2)c1OC ZINC000065224639 184315389 /nfs/dbraw/zinc/31/53/89/184315389.db2.gz UFOHMOHQWLTNBP-UHFFFAOYSA-N 1 1 300.318 2.307 50 0 DEAAMO COc1ccc(-c2noc(Cn3cc[nH+]c3C)n2)cc1OC ZINC000065224640 184315433 /nfs/dbraw/zinc/31/54/33/184315433.db2.gz YLTJRBIOVDFHRV-UHFFFAOYSA-N 1 1 300.318 2.307 50 0 DEAAMO O[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065373744 184330609 /nfs/dbraw/zinc/33/06/09/184330609.db2.gz UFHPRQUWTJSRFA-JKSUJKDBSA-N 1 1 312.369 2.161 50 0 DEAAMO CCc1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000065408030 184339284 /nfs/dbraw/zinc/33/92/84/184339284.db2.gz GAIBPNLPUGQPNT-QGZVFWFLSA-N 1 1 324.428 2.386 50 0 DEAAMO CN(C)C(=O)C[N@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065430805 184344209 /nfs/dbraw/zinc/34/42/09/184344209.db2.gz UPJVCLKBUVLSIP-UHFFFAOYSA-N 1 1 324.428 2.109 50 0 DEAAMO CN(C)C(=O)C[N@@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065430805 184344211 /nfs/dbraw/zinc/34/42/11/184344211.db2.gz UPJVCLKBUVLSIP-UHFFFAOYSA-N 1 1 324.428 2.109 50 0 DEAAMO COCC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000065440620 184345486 /nfs/dbraw/zinc/34/54/86/184345486.db2.gz FOZMUYKPPJJZDE-ZDUSSCGKSA-N 1 1 311.451 2.173 50 0 DEAAMO CC(=O)c1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CCO ZINC000065459677 184348575 /nfs/dbraw/zinc/34/85/75/184348575.db2.gz 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DEAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000071875785 401690024 /nfs/dbraw/zinc/69/00/24/401690024.db2.gz WZKFXUKAMWKDPZ-CYBMUJFWSA-N 1 1 313.361 2.499 50 0 DEAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000071875785 401690026 /nfs/dbraw/zinc/69/00/26/401690026.db2.gz WZKFXUKAMWKDPZ-CYBMUJFWSA-N 1 1 313.361 2.499 50 0 DEAAMO CC(C)c1nc(CN2CCC[N@H+](Cc3ccccn3)CC2)no1 ZINC000071877601 401691054 /nfs/dbraw/zinc/69/10/54/401691054.db2.gz WVKIWBOMKOPFLE-UHFFFAOYSA-N 1 1 315.421 2.296 50 0 DEAAMO CC(C)c1nc(CN2CCC[N@@H+](Cc3ccccn3)CC2)no1 ZINC000071877601 401691055 /nfs/dbraw/zinc/69/10/55/401691055.db2.gz WVKIWBOMKOPFLE-UHFFFAOYSA-N 1 1 315.421 2.296 50 0 DEAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000071880525 401691628 /nfs/dbraw/zinc/69/16/28/401691628.db2.gz PYONVGDAGYNYTG-STQMWFEESA-N 1 1 308.344 2.041 50 0 DEAAMO Cc1[nH+]ccn1-c1ccc(F)cc1CNC(=O)[C@@H]1CCCO1 ZINC000071886024 401692217 /nfs/dbraw/zinc/69/22/17/401692217.db2.gz 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COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2CCCO2)c1 ZINC000009903108 401766912 /nfs/dbraw/zinc/76/69/12/401766912.db2.gz ZGKUSDKLEDMLLR-IRXDYDNUSA-N 1 1 318.417 2.127 50 0 DEAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC[C@@H]2CCCO2)c1 ZINC000009903108 401766914 /nfs/dbraw/zinc/76/69/14/401766914.db2.gz ZGKUSDKLEDMLLR-IRXDYDNUSA-N 1 1 318.417 2.127 50 0 DEAAMO Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n1 ZINC000012305285 401783275 /nfs/dbraw/zinc/78/32/75/401783275.db2.gz CGCGQEOUTPLCMY-KRWDZBQOSA-N 1 1 302.422 2.056 50 0 DEAAMO CC(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000017012144 401820315 /nfs/dbraw/zinc/82/03/15/401820315.db2.gz NAFTUUDTOBDAOQ-UHFFFAOYSA-N 1 1 311.389 2.197 50 0 DEAAMO CCCC12CN3CC(C)(C[N@H+](C1)C31CCOC(C)(C)C1)[C@@H]2O ZINC000019331517 401822327 /nfs/dbraw/zinc/82/23/27/401822327.db2.gz BHBGRWDRCBRKML-BMWKDGKBSA-N 1 1 308.466 2.070 50 0 biogenic DEAAMO CCCC12CN3CC(C)(C[N@@H+](C1)C31CCOC(C)(C)C1)[C@@H]2O ZINC000019331517 401822329 /nfs/dbraw/zinc/82/23/29/401822329.db2.gz BHBGRWDRCBRKML-BMWKDGKBSA-N 1 1 308.466 2.070 50 0 biogenic DEAAMO COCC[N@H+]1CC[C@H](CN2CCN(c3ccc(C)cc3)CC2)C1 ZINC000020209512 401823668 /nfs/dbraw/zinc/82/36/68/401823668.db2.gz BIWBYAUSDUDHMC-SFHVURJKSA-N 1 1 317.477 2.085 50 0 DEAAMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000025404515 401833755 /nfs/dbraw/zinc/83/37/55/401833755.db2.gz PVLMERBEDGATNZ-GFCCVEGCSA-N 1 1 319.405 2.467 50 0 DEAAMO Cc1occc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025448435 401834598 /nfs/dbraw/zinc/83/45/98/401834598.db2.gz NBAGDBXXYZHQCL-UHFFFAOYSA-N 1 1 306.406 2.353 50 0 DEAAMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccc(Cl)cn2)C1 ZINC000077957257 401836866 /nfs/dbraw/zinc/83/68/66/401836866.db2.gz SUTFPKPXBBHXEV-ZDUSSCGKSA-N 1 1 312.797 2.249 50 0 DEAAMO COc1cc2nc(C[N@H+](C(C)C)C3CC3)[nH]c(=O)c2cc1OC ZINC000026940913 401842770 /nfs/dbraw/zinc/84/27/70/401842770.db2.gz GMQPSEVIZVFXPC-UHFFFAOYSA-N 1 1 317.389 2.313 50 0 DEAAMO COc1cc2nc(C[N@@H+](C(C)C)C3CC3)[nH]c(=O)c2cc1OC ZINC000026940913 401842772 /nfs/dbraw/zinc/84/27/72/401842772.db2.gz GMQPSEVIZVFXPC-UHFFFAOYSA-N 1 1 317.389 2.313 50 0 DEAAMO O=C1OCC[C@@H]1[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000078643332 401859757 /nfs/dbraw/zinc/85/97/57/401859757.db2.gz ZMURFHUGKABOEU-KRWDZBQOSA-N 1 1 300.402 2.077 50 0 DEAAMO CC(C)(C)c1cc(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)n[nH]1 ZINC000077358921 401812312 /nfs/dbraw/zinc/81/23/12/401812312.db2.gz IFQWQCSSLJRFEQ-GOSISDBHSA-N 1 1 320.481 2.130 50 0 DEAAMO O=C(CCc1ccco1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077454526 401816016 /nfs/dbraw/zinc/81/60/16/401816016.db2.gz HBINTRUBPUBUAY-UHFFFAOYSA-N 1 1 313.401 2.342 50 0 DEAAMO O=C(CCc1ccco1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077454526 401816019 /nfs/dbraw/zinc/81/60/19/401816019.db2.gz HBINTRUBPUBUAY-UHFFFAOYSA-N 1 1 313.401 2.342 50 0 DEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1nncs1 ZINC000040525261 401925905 /nfs/dbraw/zinc/92/59/05/401925905.db2.gz REIZRZDFWXAGIW-NSHDSACASA-N 1 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ISGCTVDNWBNPKT-HNNXBMFYSA-N 1 1 317.433 2.122 50 0 DEAAMO CN(Cc1cccs1)C(=O)C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000078972735 355288610 /nfs/dbraw/zinc/28/86/10/355288610.db2.gz AWYDFFOZFZVTJI-IMJJTQAJSA-N 1 1 322.474 2.452 50 0 DEAAMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 ZINC000078965922 355287900 /nfs/dbraw/zinc/28/79/00/355287900.db2.gz ARCYZJQEGLPBOY-CYBMUJFWSA-N 1 1 316.401 2.047 50 0 DEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCOC1 ZINC000110612773 355743283 /nfs/dbraw/zinc/74/32/83/355743283.db2.gz ZCAVCVKHYBJBQU-WBVHZDCISA-N 1 1 302.418 2.146 50 0 DEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000005204970 181216127 /nfs/dbraw/zinc/21/61/27/181216127.db2.gz YBCZCMVOTYJLGN-ZDUSSCGKSA-N 1 1 301.390 2.391 50 0 DEAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc2sc(C)nc2c1 ZINC000584884077 357324232 /nfs/dbraw/zinc/32/42/32/357324232.db2.gz KSAIGTHMTDJATB-KBPBESRZSA-N 1 1 319.430 2.054 50 0 DEAAMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC000584895770 357329098 /nfs/dbraw/zinc/32/90/98/357329098.db2.gz UXGXYLRJCZFNFF-JTQLQIEISA-N 1 1 312.366 2.003 50 0 DEAAMO Cc1[nH+]cn(CCNC(=O)N(C)CCC[C@H]2CCCO2)c1C ZINC000584902642 357331654 /nfs/dbraw/zinc/33/16/54/357331654.db2.gz SJQIQEWIPSCLQM-HNNXBMFYSA-N 1 1 308.426 2.101 50 0 DEAAMO Cc1cnccc1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000187457929 200115134 /nfs/dbraw/zinc/11/51/34/200115134.db2.gz NGLKFJZDZQOCNZ-INMHGKMJSA-N 1 1 319.449 2.140 50 0 DEAAMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)ccc21 ZINC000188412176 200242190 /nfs/dbraw/zinc/24/21/90/200242190.db2.gz CYRYHDQUOBJXQE-QGZVFWFLSA-N 1 1 324.428 2.457 50 0 DEAAMO CC[N@H+]1CCN(Cc2nnc(-c3ccc(C)n3C)o2)CC1(C)C ZINC000670442939 540933726 /nfs/dbraw/zinc/93/37/26/540933726.db2.gz JXPXCZOJXBLMNI-UHFFFAOYSA-N 1 1 317.437 2.300 50 0 DEAAMO CCCc1nnc(N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)s1 ZINC000670456213 540936070 /nfs/dbraw/zinc/93/60/70/540936070.db2.gz QVDFXCFMCTXIAE-CYBMUJFWSA-N 1 1 312.483 2.020 50 0 DEAAMO C[C@H]1C[C@H](NC(=O)Nc2ccncn2)C[N@H+]1Cc1ccccc1 ZINC000194051591 201170452 /nfs/dbraw/zinc/17/04/52/201170452.db2.gz VMGJNFNQANOUPK-ZFWWWQNUSA-N 1 1 311.389 2.261 50 0 DEAAMO CCOc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000006533407 181350598 /nfs/dbraw/zinc/35/05/98/181350598.db2.gz TVMOVYSVSRNIRW-SECBINFHSA-N 1 1 318.402 2.403 50 0 DEAAMO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000091548113 193071637 /nfs/dbraw/zinc/07/16/37/193071637.db2.gz XKPHYXHJNJWXTH-CYBMUJFWSA-N 1 1 306.435 2.366 50 0 DEAAMO COCCn1ccnc1[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000091548113 193071639 /nfs/dbraw/zinc/07/16/39/193071639.db2.gz XKPHYXHJNJWXTH-CYBMUJFWSA-N 1 1 306.435 2.366 50 0 DEAAMO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H](C)c3ncnn3C)[nH]c12 ZINC000091713030 193096134 /nfs/dbraw/zinc/09/61/34/193096134.db2.gz MBTCSVDPIRLMPT-GFCCVEGCSA-N 1 1 311.389 2.124 50 0 DEAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)o1 ZINC000091770070 193104490 /nfs/dbraw/zinc/10/44/90/193104490.db2.gz 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/nfs/dbraw/zinc/26/57/81/193265781.db2.gz SACCCDDRJSWYSU-AWEZNQCLSA-N 1 1 322.430 2.173 50 0 DEAAMO Cc1cc2cc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)oc2cc1C ZINC000093531236 193265783 /nfs/dbraw/zinc/26/57/83/193265783.db2.gz SACCCDDRJSWYSU-AWEZNQCLSA-N 1 1 322.430 2.173 50 0 DEAAMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000093899719 193326600 /nfs/dbraw/zinc/32/66/00/193326600.db2.gz KEYFELZOAVUMHO-CYBMUJFWSA-N 1 1 307.413 2.240 50 0 DEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000015442777 182002306 /nfs/dbraw/zinc/00/23/06/182002306.db2.gz SRRKWDBTKUQLJT-UHFFFAOYSA-N 1 1 316.323 2.158 50 0 DEAAMO CC(C)C[N@H+]1CCN(Cc2ccc(F)cc2F)C[C@@H]1CCO ZINC000019732195 182139377 /nfs/dbraw/zinc/13/93/77/182139377.db2.gz KSZHNLJUJVSPSJ-INIZCTEOSA-N 1 1 312.404 2.489 50 0 DEAAMO CCOc1ccccc1CN1CC[N@@H+](C(C)C)[C@@H](CCO)C1 ZINC000020202973 182197302 /nfs/dbraw/zinc/19/73/02/182197302.db2.gz GUVGNOVRCLMCQS-KRWDZBQOSA-N 1 1 306.450 2.362 50 0 DEAAMO CCOc1cc(C=O)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000020325364 182207827 /nfs/dbraw/zinc/20/78/27/182207827.db2.gz JFOLEMVLPDKENN-UHFFFAOYSA-N 1 1 320.433 2.304 50 0 DEAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000020456580 182219488 /nfs/dbraw/zinc/21/94/88/182219488.db2.gz UVNJKMFQBMDDQK-MRXNPFEDSA-N 1 1 315.461 2.306 50 0 DEAAMO COc1cc(C(C)=O)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000020639306 182241446 /nfs/dbraw/zinc/24/14/46/182241446.db2.gz HXPJNKCATMWUEW-UHFFFAOYSA-N 1 1 320.433 2.304 50 0 DEAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCOC2)c(F)c1 ZINC000020781062 182246995 /nfs/dbraw/zinc/24/69/95/182246995.db2.gz LPMDXUREAWQCHD-LBPRGKRZSA-N 1 1 305.353 2.445 50 0 DEAAMO CCCC(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020857398 182249225 /nfs/dbraw/zinc/24/92/25/182249225.db2.gz MZLLACQPYYMMHF-CZUORRHYSA-N 1 1 309.479 2.341 50 0 DEAAMO Cc1cnc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000022619875 182328464 /nfs/dbraw/zinc/32/84/64/182328464.db2.gz CDGFVGZMIKBWBJ-OAHLLOKOSA-N 1 1 318.808 2.471 50 0 DEAAMO Cc1c(Cl)cccc1NC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022938161 182343527 /nfs/dbraw/zinc/34/35/27/182343527.db2.gz QSEHNQLBJHEACW-UHFFFAOYSA-N 1 1 324.856 2.407 50 0 DEAAMO COC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](C)CC1 ZINC000022771500 182333752 /nfs/dbraw/zinc/33/37/52/182333752.db2.gz YMDJJZTZSNORNA-UHFFFAOYSA-N 1 1 313.401 2.077 50 0 DEAAMO CCOC(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000039985801 183026801 /nfs/dbraw/zinc/02/68/01/183026801.db2.gz JSOHAFIHKJGIIB-UHFFFAOYSA-N 1 1 310.369 2.369 50 0 DEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccco2)C[C@H](C)O1 ZINC000041864693 183223112 /nfs/dbraw/zinc/22/31/12/183223112.db2.gz JGKQAZINPBVCJP-CWZTWBIVSA-N 1 1 306.406 2.297 50 0 DEAAMO C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1CCO ZINC000105624986 194116244 /nfs/dbraw/zinc/11/62/44/194116244.db2.gz SGLBBESDQYAYAS-OAHLLOKOSA-N 1 1 317.458 2.309 50 0 DEAAMO C[N@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1CCO ZINC000105624986 194116246 /nfs/dbraw/zinc/11/62/46/194116246.db2.gz SGLBBESDQYAYAS-OAHLLOKOSA-N 1 1 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/nfs/dbraw/zinc/37/25/57/185372557.db2.gz BKAPTTHKMCFGGT-INIZCTEOSA-N 1 1 302.418 2.155 50 0 DEAAMO Cc1nnc(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)s1 ZINC000299758604 282313744 /nfs/dbraw/zinc/31/37/44/282313744.db2.gz LBMQOAJIWYCQRY-HNNXBMFYSA-N 1 1 302.447 2.335 50 0 DEAAMO O=C(C[NH2+]C1(c2nccs2)CCCC1)NCc1ccccn1 ZINC000083215433 539388725 /nfs/dbraw/zinc/38/87/25/539388725.db2.gz DRABXBZZDRVPKH-UHFFFAOYSA-N 1 1 316.430 2.213 50 0 DEAAMO CCOc1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000084810552 539399289 /nfs/dbraw/zinc/39/92/89/539399289.db2.gz OPMQAHURBBTMAP-MRXNPFEDSA-N 1 1 320.433 2.442 50 0 DEAAMO Cc1noc(C)c1C[N@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000243902060 282383090 /nfs/dbraw/zinc/38/30/90/282383090.db2.gz BFMYXVQVMXWKQC-ZDUSSCGKSA-N 1 1 302.378 2.134 50 0 DEAAMO Cc1noc(C)c1C[N@@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000243902060 282383091 /nfs/dbraw/zinc/38/30/91/282383091.db2.gz BFMYXVQVMXWKQC-ZDUSSCGKSA-N 1 1 302.378 2.134 50 0 DEAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CCc3ccncc3)C2)nn1 ZINC000069815195 190823857 /nfs/dbraw/zinc/82/38/57/190823857.db2.gz GZLSBJQENMHAJD-QGZVFWFLSA-N 1 1 311.433 2.323 50 0 DEAAMO CCc1nc(C)sc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072126447 191042755 /nfs/dbraw/zinc/04/27/55/191042755.db2.gz FXRGWSUYUFJHNH-ZBFHGGJFSA-N 1 1 323.462 2.043 50 0 DEAAMO CCc1nc(C)sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072126447 191042757 /nfs/dbraw/zinc/04/27/57/191042757.db2.gz FXRGWSUYUFJHNH-ZBFHGGJFSA-N 1 1 323.462 2.043 50 0 DEAAMO COc1c(C)c[nH+]c(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1C ZINC000072141776 191050201 /nfs/dbraw/zinc/05/02/01/191050201.db2.gz BIPQSHYORBFOES-OAHLLOKOSA-N 1 1 319.449 2.396 50 0 DEAAMO Cc1cc(C)nc(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)n1 ZINC000072145946 191052613 /nfs/dbraw/zinc/05/26/13/191052613.db2.gz PDHJKUMHOHKTGZ-QGZVFWFLSA-N 1 1 318.465 2.170 50 0 DEAAMO Cc1cc(C)nc(CN2CCCC[C@@H]2CC[NH+]2CCOCC2)n1 ZINC000072145946 191052618 /nfs/dbraw/zinc/05/26/18/191052618.db2.gz PDHJKUMHOHKTGZ-QGZVFWFLSA-N 1 1 318.465 2.170 50 0 DEAAMO COCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000072151138 191055471 /nfs/dbraw/zinc/05/54/71/191055471.db2.gz CRCOXRKMVSUBEZ-SFHVURJKSA-N 1 1 302.418 2.261 50 0 DEAAMO COc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)CC2)cc1OC ZINC000072154591 191058568 /nfs/dbraw/zinc/05/85/68/191058568.db2.gz HUWFCHNSMUYKKT-QGZVFWFLSA-N 1 1 320.389 2.168 50 0 DEAAMO O=C1NC[C@@]2(CCC[N@H+](Cc3nc4ccccc4[nH]3)CC2)O1 ZINC000072158262 191061234 /nfs/dbraw/zinc/06/12/34/191061234.db2.gz XBWAFOWEUWTEDF-INIZCTEOSA-N 1 1 300.362 2.027 50 0 DEAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3nc4ccccc4[nH]3)CC2)O1 ZINC000072158262 191061236 /nfs/dbraw/zinc/06/12/36/191061236.db2.gz XBWAFOWEUWTEDF-INIZCTEOSA-N 1 1 300.362 2.027 50 0 DEAAMO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(F)c1)CC2 ZINC000072171491 191069400 /nfs/dbraw/zinc/06/94/00/191069400.db2.gz BJUGUOXFVYMLQD-OAHLLOKOSA-N 1 1 306.381 2.197 50 0 DEAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CCO ZINC000072309098 191118699 /nfs/dbraw/zinc/11/86/99/191118699.db2.gz JMZALSLGALBMOI-LBPRGKRZSA-N 1 1 303.189 2.389 50 0 DEAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CCO ZINC000072309098 191118701 /nfs/dbraw/zinc/11/87/01/191118701.db2.gz JMZALSLGALBMOI-LBPRGKRZSA-N 1 1 303.189 2.389 50 0 DEAAMO COc1cc(NC(=O)C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000003538717 181031035 /nfs/dbraw/zinc/03/10/35/181031035.db2.gz HFSGVYXRFKGPHU-UHFFFAOYSA-N 1 1 322.405 2.383 50 0 DEAAMO O=C(C[NH+]1CCCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000003582638 181037292 /nfs/dbraw/zinc/03/72/92/181037292.db2.gz MDFVNKCTNLQULS-UHFFFAOYSA-N 1 1 301.390 2.003 50 0 DEAAMO CN1CCN(C)[C@H](CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000039557647 354169224 /nfs/dbraw/zinc/16/92/24/354169224.db2.gz CWUVXNOWKCDEGI-FUHWJXTLSA-N 1 1 305.441 2.251 50 0 DEAAMO CN1CCN(C)[C@H](CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000039557647 354169228 /nfs/dbraw/zinc/16/92/28/354169228.db2.gz CWUVXNOWKCDEGI-FUHWJXTLSA-N 1 1 305.441 2.251 50 0 DEAAMO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)cc2)cn1 ZINC000069620986 354871174 /nfs/dbraw/zinc/87/11/74/354871174.db2.gz KTUGQWKFRSSGGU-QGZVFWFLSA-N 1 1 308.389 2.128 50 0 DEAAMO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000076041593 355120387 /nfs/dbraw/zinc/12/03/87/355120387.db2.gz VANBOLJVQDZTOS-HUUCEWRRSA-N 1 1 318.417 2.018 50 0 DEAAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)o1 ZINC000005274697 181225851 /nfs/dbraw/zinc/22/58/51/181225851.db2.gz IACUPSOPQKNKNV-CYBMUJFWSA-N 1 1 303.387 2.492 50 0 DEAAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)o1 ZINC000005274697 181225853 /nfs/dbraw/zinc/22/58/53/181225853.db2.gz IACUPSOPQKNKNV-CYBMUJFWSA-N 1 1 303.387 2.492 50 0 DEAAMO C[C@H]1CN(CC2CCOCC2)C[C@H](C)[NH+]1CC1CCOCC1 ZINC000187111991 356212862 /nfs/dbraw/zinc/21/28/62/356212862.db2.gz DNJWMKHDFFASAJ-HOTGVXAUSA-N 1 1 310.482 2.234 50 0 DEAAMO CCc1ccccc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000192500738 356220874 /nfs/dbraw/zinc/22/08/74/356220874.db2.gz OTQRKTWELXCEFF-UHFFFAOYSA-N 1 1 317.477 2.395 50 0 DEAAMO C[NH+]1CCN(C(=O)c2ccc(NC[C@H]3CCC=CO3)cc2)CC1 ZINC000225512786 356276959 /nfs/dbraw/zinc/27/69/59/356276959.db2.gz RPMOQPJHNPOBTL-QGZVFWFLSA-N 1 1 315.417 2.179 50 0 DEAAMO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(O)(C(F)F)CC1 ZINC000390833693 356711291 /nfs/dbraw/zinc/71/12/91/356711291.db2.gz LMWNUWVOPZEWEQ-ZDUSSCGKSA-N 1 1 310.344 2.032 50 0 DEAAMO CCO[C@@H](CC)CNC(=O)N1CCN(c2[nH+]cccc2C)CC1 ZINC000584890027 357327447 /nfs/dbraw/zinc/32/74/47/357327447.db2.gz LJIOTNBNOMEHOS-HNNXBMFYSA-N 1 1 320.437 2.037 50 0 DEAAMO COC(=O)Nc1cccc(NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000585140244 357337974 /nfs/dbraw/zinc/33/79/74/357337974.db2.gz AQVWGECSFGAWLF-UHFFFAOYSA-N 1 1 307.394 2.388 50 0 DEAAMO C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)[C@H]1C[NH3+] ZINC000237641076 202313539 /nfs/dbraw/zinc/31/35/39/202313539.db2.gz NKUHRIJPJKYWSE-GWCFXTLKSA-N 1 1 304.419 2.338 50 0 DEAAMO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CC1CCOCC1 ZINC000189147253 200355635 /nfs/dbraw/zinc/35/56/35/200355635.db2.gz UVCRBGIXFDDBPV-UHFFFAOYSA-N 1 1 316.445 2.320 50 0 DEAAMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2cccc(C)c2)CC1 ZINC000670434623 540932506 /nfs/dbraw/zinc/93/25/06/540932506.db2.gz HVQWFXGZBSPSRS-UHFFFAOYSA-N 1 1 312.417 2.285 50 0 DEAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(-c3cc[nH]n3)cc2)c1C ZINC000670452551 540935855 /nfs/dbraw/zinc/93/58/55/540935855.db2.gz GTZMMDUSUYHKPQ-UHFFFAOYSA-N 1 1 309.373 2.320 50 0 DEAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C/C(C)=C\C(=O)OC)C1 ZINC000606446046 361010118 /nfs/dbraw/zinc/01/01/18/361010118.db2.gz HCSIGUPVWDLINQ-ZKHYDWRDSA-N 1 1 310.438 2.123 50 0 DEAAMO O[C@H]1C[N@H+](Cc2cccc3cnccc32)C[C@@H]1N1CCCCC1 ZINC000670457971 540936843 /nfs/dbraw/zinc/93/68/43/540936843.db2.gz SISUBTPDRJWICT-OALUTQOASA-N 1 1 311.429 2.266 50 0 DEAAMO O[C@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@@H]1N1CCCCC1 ZINC000670457971 540936845 /nfs/dbraw/zinc/93/68/45/540936845.db2.gz SISUBTPDRJWICT-OALUTQOASA-N 1 1 311.429 2.266 50 0 DEAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194593277 201259377 /nfs/dbraw/zinc/25/93/77/201259377.db2.gz QKEUMJCWSUNPMV-CYBMUJFWSA-N 1 1 316.854 2.162 50 0 DEAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194593277 201259379 /nfs/dbraw/zinc/25/93/79/201259379.db2.gz QKEUMJCWSUNPMV-CYBMUJFWSA-N 1 1 316.854 2.162 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C)c2)C1 ZINC000006499518 181346329 /nfs/dbraw/zinc/34/63/29/181346329.db2.gz KLSDYSGLGFIDTD-JKSUJKDBSA-N 1 1 321.417 2.010 50 0 DEAAMO CC[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)n1cccn1 ZINC000091326531 193040645 /nfs/dbraw/zinc/04/06/45/193040645.db2.gz FZYXEBWYJOBZRK-KRWDZBQOSA-N 1 1 312.417 2.009 50 0 DEAAMO CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000091364579 193046728 /nfs/dbraw/zinc/04/67/28/193046728.db2.gz LWWKBERYATYOEK-QGZVFWFLSA-N 1 1 316.445 2.361 50 0 DEAAMO CCn1ncnc1[C@H](C)[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091427184 193053888 /nfs/dbraw/zinc/05/38/88/193053888.db2.gz GDLIIFIPVDWRMG-LBPRGKRZSA-N 1 1 311.389 2.299 50 0 DEAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000091526554 193069248 /nfs/dbraw/zinc/06/92/48/193069248.db2.gz GPPIGLBLSRLALL-LSDHHAIUSA-N 1 1 316.401 2.248 50 0 DEAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(=O)c3ccccc3[nH]1)C2 ZINC000091551400 193072370 /nfs/dbraw/zinc/07/23/70/193072370.db2.gz JVTHXSZMSRIWHL-QWHCGFSZSA-N 1 1 311.385 2.107 50 0 DEAAMO Cc1ccn(CCCNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)n1 ZINC000091650192 193084740 /nfs/dbraw/zinc/08/47/40/193084740.db2.gz MOMDYOLDISYRIS-KRWDZBQOSA-N 1 1 314.433 2.309 50 0 DEAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CC(N)=O)CC2)C1 ZINC000091656857 193085847 /nfs/dbraw/zinc/08/58/47/193085847.db2.gz NUIGVGWTHQGZLY-QGZVFWFLSA-N 1 1 315.461 2.063 50 0 DEAAMO O=C1NCCC[C@@]12CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000091664031 193086426 /nfs/dbraw/zinc/08/64/26/193086426.db2.gz DSOKZUKQAKVQEM-INIZCTEOSA-N 1 1 308.809 2.321 50 0 DEAAMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)cc1Cl ZINC000091818837 193112365 /nfs/dbraw/zinc/11/23/65/193112365.db2.gz HFKWGONJXBUDGO-ZBFHGGJFSA-N 1 1 322.836 2.081 50 0 DEAAMO CCc1c[nH+]c(N)nc1N(C)Cc1cc(-c2cccnc2)no1 ZINC000091895826 193124386 /nfs/dbraw/zinc/12/43/86/193124386.db2.gz HOAWLZWKKUQNPF-UHFFFAOYSA-N 1 1 310.361 2.308 50 0 DEAAMO COc1ccnc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 ZINC000092096906 193156662 /nfs/dbraw/zinc/15/66/62/193156662.db2.gz ZJXAJTKNMUVOAC-KDOFPFPSSA-N 1 1 320.433 2.090 50 0 DEAAMO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870682 193321203 /nfs/dbraw/zinc/32/12/03/193321203.db2.gz PZBDKLWBLHAXPK-CQSZACIVSA-N 1 1 315.465 2.343 50 0 DEAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCCCO)c12 ZINC000009419372 181620517 /nfs/dbraw/zinc/62/05/17/181620517.db2.gz CERZSBLQHZNSBL-UHFFFAOYSA-N 1 1 311.389 2.286 50 0 DEAAMO CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000016649733 182056133 /nfs/dbraw/zinc/05/61/33/182056133.db2.gz MGLLDBUNRHPIHD-CQSZACIVSA-N 1 1 308.328 2.329 50 0 DEAAMO 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C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000019902080 401823216 /nfs/dbraw/zinc/82/32/16/401823216.db2.gz HPCAKMIZZYYYOA-SFHVURJKSA-N 1 1 315.461 2.319 50 0 DEAAMO Nc1nc(Cl)cc(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000024056687 401828908 /nfs/dbraw/zinc/82/89/08/401828908.db2.gz SUSXCHBPVPKBCQ-UHFFFAOYSA-N 1 1 309.826 2.096 50 0 DEAAMO CCC[C@H](C)[N@@H+](C)CC(=O)NC(=O)NCCc1cccs1 ZINC000030270060 401862213 /nfs/dbraw/zinc/86/22/13/401862213.db2.gz MJNLLGLSARAEGE-LBPRGKRZSA-N 1 1 311.451 2.237 50 0 DEAAMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)NC(N)=O ZINC000078988385 401868829 /nfs/dbraw/zinc/86/88/29/401868829.db2.gz OZBPLIUIDPOLDW-GHMZBOCLSA-N 1 1 311.813 2.349 50 0 DEAAMO CC[C@H]1COCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000077391408 401814084 /nfs/dbraw/zinc/81/40/84/401814084.db2.gz AUGYIXUZXAEEHN-KRWDZBQOSA-N 1 1 302.418 2.072 50 0 DEAAMO O=C(Cn1cccn1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000015079061 401815768 /nfs/dbraw/zinc/81/57/68/401815768.db2.gz SHWNYFBOBNVYLN-OAHLLOKOSA-N 1 1 304.438 2.187 50 0 DEAAMO CC(=O)NCC1CC[NH+](Cc2c[nH]c(CC3CCCC3)n2)CC1 ZINC000077470272 401816409 /nfs/dbraw/zinc/81/64/09/401816409.db2.gz QEVBJYJWQABFHU-UHFFFAOYSA-N 1 1 318.465 2.491 50 0 DEAAMO CC(=O)NCC1CC[NH+](Cc2cnc(CC3CCCC3)[nH]2)CC1 ZINC000077470272 401816412 /nfs/dbraw/zinc/81/64/12/401816412.db2.gz QEVBJYJWQABFHU-UHFFFAOYSA-N 1 1 318.465 2.491 50 0 DEAAMO CCC12CN3CC(C)(C[N@H+](C1)C3[C@@H]1CCOC(C)(C)C1)C2=O ZINC000032123982 401876823 /nfs/dbraw/zinc/87/68/23/401876823.db2.gz FAIWTICMJBTPRQ-AIKJXGDASA-N 1 1 306.450 2.134 50 0 biogenic DEAAMO CCC12CN3CC(C)(C[N@@H+](C1)C3[C@@H]1CCOC(C)(C)C1)C2=O ZINC000032123982 401876825 /nfs/dbraw/zinc/87/68/25/401876825.db2.gz FAIWTICMJBTPRQ-AIKJXGDASA-N 1 1 306.450 2.134 50 0 biogenic DEAAMO Cc1ccc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032754951 401882602 /nfs/dbraw/zinc/88/26/02/401882602.db2.gz ULESJMKZLNNFQR-IYBDPMFKSA-N 1 1 319.449 2.294 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000032930883 401886689 /nfs/dbraw/zinc/88/66/89/401886689.db2.gz HYDLZIABDHNKND-QGZVFWFLSA-N 1 1 312.417 2.015 50 0 DEAAMO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000034684217 401893057 /nfs/dbraw/zinc/89/30/57/401893057.db2.gz BVBWQSYDYXYFGQ-INIZCTEOSA-N 1 1 303.450 2.374 50 0 DEAAMO COCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036095442 401901760 /nfs/dbraw/zinc/90/17/60/401901760.db2.gz MEXXGZWKHNXECF-INIZCTEOSA-N 1 1 313.413 2.450 50 0 DEAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1cccc(OC)c1OC ZINC000036097116 401902508 /nfs/dbraw/zinc/90/25/08/401902508.db2.gz RFPKRONRUOATEV-OAHLLOKOSA-N 1 1 311.422 2.313 50 0 DEAAMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCn1cccn1)c1ccc(F)cc1 ZINC000084651549 401908513 /nfs/dbraw/zinc/90/85/13/401908513.db2.gz INBPPQVHEQNGSI-KGLIPLIRSA-N 1 1 318.396 2.220 50 0 DEAAMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCn1cccn1)c1ccc(F)cc1 ZINC000084651549 401908517 /nfs/dbraw/zinc/90/85/17/401908517.db2.gz INBPPQVHEQNGSI-KGLIPLIRSA-N 1 1 318.396 2.220 50 0 DEAAMO C[C@H](NC(=O)C[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000036869733 401908959 /nfs/dbraw/zinc/90/89/59/401908959.db2.gz YFEVXLLOTPAYKT-LBPRGKRZSA-N 1 1 302.374 2.067 50 0 DEAAMO CC(C)CC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000037978648 401919151 /nfs/dbraw/zinc/91/91/51/401919151.db2.gz WIKXPCNYWKPTRB-UHFFFAOYSA-N 1 1 314.426 2.178 50 0 DEAAMO Cc1cn2cc(C(=O)NCCCCn3cc[nH+]c3C)sc2n1 ZINC000089702190 401958069 /nfs/dbraw/zinc/95/80/69/401958069.db2.gz NHXIWPGILXGGEA-UHFFFAOYSA-N 1 1 317.418 2.419 50 0 DEAAMO CCc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046035156 401965108 /nfs/dbraw/zinc/96/51/08/401965108.db2.gz NXACFSZWKNQLNM-AWEZNQCLSA-N 1 1 310.463 2.259 50 0 DEAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000089938807 401975790 /nfs/dbraw/zinc/97/57/90/401975790.db2.gz YWKGDGGLOBQTDJ-GFCCVEGCSA-N 1 1 318.808 2.302 50 0 DEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000089938807 401975793 /nfs/dbraw/zinc/97/57/93/401975793.db2.gz YWKGDGGLOBQTDJ-GFCCVEGCSA-N 1 1 318.808 2.302 50 0 DEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1nc2ccccc2[nH]1 ZINC000047144576 401979253 /nfs/dbraw/zinc/97/92/53/401979253.db2.gz LQJMEJNCMWOHDN-AWEZNQCLSA-N 1 1 314.433 2.486 50 0 DEAAMO Cc1ccc2nc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc(=O)n2c1 ZINC000047405744 401981673 /nfs/dbraw/zinc/98/16/73/401981673.db2.gz RYTMXIRPFHLCDS-AWEZNQCLSA-N 1 1 313.401 2.004 50 0 DEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1cccnc1 ZINC000047596872 401984746 /nfs/dbraw/zinc/98/47/46/401984746.db2.gz LHHZTQHBWFHHRN-UHFFFAOYSA-N 1 1 324.428 2.329 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000044890048 401949435 /nfs/dbraw/zinc/94/94/35/401949435.db2.gz UVVHBNAJLVUNMC-MRXNPFEDSA-N 1 1 320.481 2.299 50 0 DEAAMO COC(=O)[C@H]1C[N@H+](CCCc2nc3ccccc3o2)C[C@@H](C)O1 ZINC000089496897 401950326 /nfs/dbraw/zinc/95/03/26/401950326.db2.gz GTDSKVHJHCUASS-IUODEOHRSA-N 1 1 318.373 2.023 50 0 DEAAMO COC(=O)[C@H]1C[N@@H+](CCCc2nc3ccccc3o2)C[C@@H](C)O1 ZINC000089496897 401950327 /nfs/dbraw/zinc/95/03/27/401950327.db2.gz GTDSKVHJHCUASS-IUODEOHRSA-N 1 1 318.373 2.023 50 0 DEAAMO COC(=O)CCn1cc(C[NH+]2CCOCC2)c2ccccc21 ZINC000095215904 402025744 /nfs/dbraw/zinc/02/57/44/402025744.db2.gz WMHYCXMEFRNTHE-UHFFFAOYSA-N 1 1 302.374 2.037 50 0 DEAAMO C[NH+](C)[C@@H](C(=O)N1CCn2cccc2C1)c1cccc(F)c1 ZINC000095373141 402029782 /nfs/dbraw/zinc/02/97/82/402029782.db2.gz SLCFIXATOUWKNR-MRXNPFEDSA-N 1 1 301.365 2.272 50 0 DEAAMO COCCN1CC[NH+](C[C@@H](O)c2ccc(CC(C)C)cc2)CC1 ZINC000051281754 402033140 /nfs/dbraw/zinc/03/31/40/402033140.db2.gz MZBBSWJNVZGKRH-LJQANCHMSA-N 1 1 320.477 2.183 50 0 DEAAMO CC[N@@H+](CCC(=O)N1CCc2ccccc21)C[C@H]1CCCO1 ZINC000051554972 402034658 /nfs/dbraw/zinc/03/46/58/402034658.db2.gz LNLCLUKMQMIOCU-MRXNPFEDSA-N 1 1 302.418 2.467 50 0 DEAAMO Cc1noc(C)c1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000095951431 402036049 /nfs/dbraw/zinc/03/60/49/402036049.db2.gz SVUUGWPDPFRXRD-UHFFFAOYSA-N 1 1 308.403 2.126 50 0 DEAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000095972393 402038928 /nfs/dbraw/zinc/03/89/28/402038928.db2.gz MNCCKGODWOWECR-HNNXBMFYSA-N 1 1 315.396 2.359 50 0 DEAAMO CC(C)[N@@H+](C)CC(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000095977732 402040720 /nfs/dbraw/zinc/04/07/20/402040720.db2.gz XXMCNFAEYFMDMU-UHFFFAOYSA-N 1 1 319.449 2.174 50 0 DEAAMO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCCN(CC(F)F)CC2)o1 ZINC000095984135 402042247 /nfs/dbraw/zinc/04/22/47/402042247.db2.gz SKCKVKUCXREMNC-LLVKDONJSA-N 1 1 316.348 2.400 50 0 DEAAMO COC(=O)c1ccc([C@@H](C)[N@H+]2CCCN(CC(F)F)CC2)o1 ZINC000095984135 402042251 /nfs/dbraw/zinc/04/22/51/402042251.db2.gz SKCKVKUCXREMNC-LLVKDONJSA-N 1 1 316.348 2.400 50 0 DEAAMO C[N@@H+](Cc1cncnc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000095982857 402042289 /nfs/dbraw/zinc/04/22/89/402042289.db2.gz JCSWWFNEOHEURF-UHFFFAOYSA-N 1 1 310.401 2.213 50 0 DEAAMO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CC(=O)N1CCC(O)CC1 ZINC000096008775 402046356 /nfs/dbraw/zinc/04/63/56/402046356.db2.gz VKODTHFTIBRKOI-AWEZNQCLSA-N 1 1 322.424 2.062 50 0 DEAAMO C[C@@H](CO)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096010156 402046816 /nfs/dbraw/zinc/04/68/16/402046816.db2.gz NTHBSMVDEOHDJH-QMMMGPOBSA-N 1 1 301.177 2.045 50 0 DEAAMO Cc1ccc(C[N@@H+](CCC(=O)NC(N)=O)Cc2ccco2)s1 ZINC000053087375 402050736 /nfs/dbraw/zinc/05/07/36/402050736.db2.gz DWUIGNHLBMUJOL-UHFFFAOYSA-N 1 1 321.402 2.237 50 0 DEAAMO Cc1cc(C[C@H](C)NC(=O)CC[NH+]2CCCCCCC2)n[nH]1 ZINC000055054621 402074729 /nfs/dbraw/zinc/07/47/29/402074729.db2.gz KFPMUCHRXCSBIY-AWEZNQCLSA-N 1 1 306.454 2.422 50 0 DEAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000097238411 402120131 /nfs/dbraw/zinc/12/01/31/402120131.db2.gz GEMFQUCIFNLCMH-KRWDZBQOSA-N 1 1 314.385 2.166 50 0 DEAAMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000096415757 402081325 /nfs/dbraw/zinc/08/13/25/402081325.db2.gz WWNXSDQFHXHFJB-IAGOWNOFSA-N 1 1 322.449 2.198 50 0 DEAAMO COc1cccc(CCC[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000096424157 402083391 /nfs/dbraw/zinc/08/33/91/402083391.db2.gz ZSSCLDZVBJXJIF-INIZCTEOSA-N 1 1 317.433 2.117 50 0 DEAAMO CN1CC[NH+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000096432176 402085819 /nfs/dbraw/zinc/08/58/19/402085819.db2.gz ALWLRVLEMRIDBX-UHFFFAOYSA-N 1 1 319.449 2.297 50 0 DEAAMO C[C@@H](CNC(=O)N[C@@H]1CCSC1)[N@@H+](C)Cc1ccccc1 ZINC000096440062 402087304 /nfs/dbraw/zinc/08/73/04/402087304.db2.gz SMCBPMAJPKEPIC-DZGCQCFKSA-N 1 1 307.463 2.312 50 0 DEAAMO C[C@H](C(=O)N[C@@H](C)CCc1ccc(O)cc1)[NH+]1CCSCC1 ZINC000096485640 402094441 /nfs/dbraw/zinc/09/44/41/402094441.db2.gz LGBKAAPZGBNSJG-UONOGXRCSA-N 1 1 322.474 2.267 50 0 DEAAMO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000096485643 402094478 /nfs/dbraw/zinc/09/44/78/402094478.db2.gz LGBKAAPZGBNSJG-KGLIPLIRSA-N 1 1 322.474 2.267 50 0 DEAAMO c1cc(OCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000096484321 402094672 /nfs/dbraw/zinc/09/46/72/402094672.db2.gz TZNLCWQNZVXJKX-ZIAGYGMSSA-N 1 1 304.390 2.011 50 0 DEAAMO c1cc(OCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000096484321 402094674 /nfs/dbraw/zinc/09/46/74/402094674.db2.gz TZNLCWQNZVXJKX-ZIAGYGMSSA-N 1 1 304.390 2.011 50 0 DEAAMO CCC[N@H+]1CCCN(C(=O)c2cccc(C3OCCO3)c2)CC1 ZINC000096486734 402095014 /nfs/dbraw/zinc/09/50/14/402095014.db2.gz TWEQCQQUGRFWOW-UHFFFAOYSA-N 1 1 318.417 2.290 50 0 DEAAMO CCOc1cccc(N2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000096489067 402095699 /nfs/dbraw/zinc/09/56/99/402095699.db2.gz AVNURYMNGXNOAF-INIZCTEOSA-N 1 1 318.465 2.087 50 0 DEAAMO CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000096495029 402096588 /nfs/dbraw/zinc/09/65/88/402096588.db2.gz DRGAGJKNOGQFOO-ZIAGYGMSSA-N 1 1 305.422 2.283 50 0 DEAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000096496475 402096917 /nfs/dbraw/zinc/09/69/17/402096917.db2.gz JQZBTCKKRJWPCS-CQSZACIVSA-N 1 1 313.405 2.184 50 0 DEAAMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096495269 402096963 /nfs/dbraw/zinc/09/69/63/402096963.db2.gz LAENHQULVLWBOP-HIFRSBDPSA-N 1 1 314.788 2.111 50 0 DEAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096495269 402096966 /nfs/dbraw/zinc/09/69/66/402096966.db2.gz LAENHQULVLWBOP-HIFRSBDPSA-N 1 1 314.788 2.111 50 0 DEAAMO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000058424886 402101127 /nfs/dbraw/zinc/10/11/27/402101127.db2.gz KAOWURKSHPHOFQ-IAGOWNOFSA-N 1 1 302.418 2.403 50 0 DEAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(F)cn1 ZINC000123107453 402110621 /nfs/dbraw/zinc/11/06/21/402110621.db2.gz NAWKTQQECJZZEM-CYBMUJFWSA-N 1 1 303.341 2.422 50 0 DEAAMO CCC[N@@H+](Cc1cccnc1)Cc1ccccc1OCC(N)=O ZINC000063835334 402115492 /nfs/dbraw/zinc/11/54/92/402115492.db2.gz CIMLTHHFBKAWDD-UHFFFAOYSA-N 1 1 313.401 2.358 50 0 DEAAMO Cc1nc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)sc1C ZINC000097234400 402119390 /nfs/dbraw/zinc/11/93/90/402119390.db2.gz MNFRNGDZSULPHI-KGLIPLIRSA-N 1 1 322.478 2.386 50 0 DEAAMO O=C1CC[C@H]([N@H+]2CCc3nc[nH]c3C2)CCN1Cc1ccccc1 ZINC000097675529 402130116 /nfs/dbraw/zinc/13/01/16/402130116.db2.gz ACLWWUFXLLOZNT-INIZCTEOSA-N 1 1 324.428 2.349 50 0 DEAAMO CCC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000066404917 402132350 /nfs/dbraw/zinc/13/23/50/402132350.db2.gz IAYOFVSLZWVJHF-NVXWUHKLSA-N 1 1 303.450 2.280 50 0 DEAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2ccccn12 ZINC000098055874 402135306 /nfs/dbraw/zinc/13/53/06/402135306.db2.gz LFWGCERQASXZBZ-DGMVEKRQSA-N 1 1 318.808 2.163 50 0 DEAAMO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2nc(-c3cccnc3)no2)n1 ZINC000067934195 402179152 /nfs/dbraw/zinc/17/91/52/402179152.db2.gz OAJOKFMWXAGFDL-LBPRGKRZSA-N 1 1 312.377 2.123 50 0 DEAAMO Cc1nc(C(C)C)ncc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000067982050 402181671 /nfs/dbraw/zinc/18/16/71/402181671.db2.gz KGVUPOXGVUPXPU-CQSZACIVSA-N 1 1 304.438 2.370 50 0 DEAAMO CCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000068124863 402184496 /nfs/dbraw/zinc/18/44/96/402184496.db2.gz VGFGAGFRZZIXKR-UHFFFAOYSA-N 1 1 309.841 2.378 50 0 DEAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000068136993 402185158 /nfs/dbraw/zinc/18/51/58/402185158.db2.gz KZHAINZFXLMNGW-BBRMVZONSA-N 1 1 315.417 2.278 50 0 DEAAMO CC(C)C[NH+]1CCC(NCc2ccc(-n3cncn3)cc2)CC1 ZINC000067540832 402161743 /nfs/dbraw/zinc/16/17/43/402161743.db2.gz FYRSSLUWBHZFED-UHFFFAOYSA-N 1 1 313.449 2.477 50 0 DEAAMO Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000067677895 402167320 /nfs/dbraw/zinc/16/73/20/402167320.db2.gz TZKCZMBXWZOEMG-SFHVURJKSA-N 1 1 316.449 2.466 50 0 DEAAMO O=C(NC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1cncnc1 ZINC000067713303 402170072 /nfs/dbraw/zinc/17/00/72/402170072.db2.gz CAYPSNKTZJDSCQ-PFWMLDTASA-N 1 1 322.412 2.242 50 0 DEAAMO C/C=C/CC(=O)NC[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067787095 402172576 /nfs/dbraw/zinc/17/25/76/402172576.db2.gz UNUMUWBVZXXUPK-HSWBROFVSA-N 1 1 312.417 2.467 50 0 DEAAMO C/C=C/CC(=O)NC[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067787095 402172577 /nfs/dbraw/zinc/17/25/77/402172577.db2.gz UNUMUWBVZXXUPK-HSWBROFVSA-N 1 1 312.417 2.467 50 0 DEAAMO C=Cc1cccc(C[N@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000067804926 402173067 /nfs/dbraw/zinc/17/30/67/402173067.db2.gz YLYMYLNGPSYWFT-MRXNPFEDSA-N 1 1 320.458 2.233 50 0 DEAAMO O=C(NCC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1cncnc1 ZINC000067871400 402176731 /nfs/dbraw/zinc/17/67/31/402176731.db2.gz BJAPGDCDZIISTM-AWEZNQCLSA-N 1 1 314.389 2.102 50 0 DEAAMO C[N@H+]1CCC[C@H](CNC(=O)CCC(=O)Nc2cccc(F)c2)C1 ZINC000067871680 402177028 /nfs/dbraw/zinc/17/70/28/402177028.db2.gz YBKDKEMHLVPZDY-CYBMUJFWSA-N 1 1 321.396 2.002 50 0 DEAAMO CC(C)n1ccnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000067872690 402177089 /nfs/dbraw/zinc/17/70/89/402177089.db2.gz HXVAVMYUXDCQBH-CQSZACIVSA-N 1 1 315.421 2.044 50 0 DEAAMO CC(C)n1ccnc1C[N@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000067872690 402177090 /nfs/dbraw/zinc/17/70/90/402177090.db2.gz HXVAVMYUXDCQBH-CQSZACIVSA-N 1 1 315.421 2.044 50 0 DEAAMO CC[N@H+]1CCCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000106855223 402217992 /nfs/dbraw/zinc/21/79/92/402217992.db2.gz 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/nfs/dbraw/zinc/36/84/82/185368482.db2.gz LMXCSVHOAPXFTI-PBHICJAKSA-N 1 1 316.401 2.394 50 0 DEAAMO O=C(Cc1cccnc1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437737 185365349 /nfs/dbraw/zinc/36/53/49/185365349.db2.gz VDDOXVJTFUIXNW-UHFFFAOYSA-N 1 1 316.792 2.021 50 0 DEAAMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000097032646 185399474 /nfs/dbraw/zinc/39/94/74/185399474.db2.gz JUTSCNKHPMJIIM-CQSZACIVSA-N 1 1 316.405 2.353 50 0 DEAAMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000097032646 185399475 /nfs/dbraw/zinc/39/94/75/185399475.db2.gz JUTSCNKHPMJIIM-CQSZACIVSA-N 1 1 316.405 2.353 50 0 DEAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)no1 ZINC000084117221 539393241 /nfs/dbraw/zinc/39/32/41/539393241.db2.gz CXFSXJUKKKMSAV-ZFWWWQNUSA-N 1 1 314.389 2.496 50 0 DEAAMO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)no1 ZINC000084117221 539393244 /nfs/dbraw/zinc/39/32/44/539393244.db2.gz CXFSXJUKKKMSAV-ZFWWWQNUSA-N 1 1 314.389 2.496 50 0 DEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2ccc(C)nc2)ccn1 ZINC000084191236 539393505 /nfs/dbraw/zinc/39/35/05/539393505.db2.gz HUAJZLMZAXIENS-UHFFFAOYSA-N 1 1 321.384 2.138 50 0 DEAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](Cc3cnc(C)s3)C2)o1 ZINC000084258988 539394031 /nfs/dbraw/zinc/39/40/31/539394031.db2.gz PIOPNBMLEFDZQD-ZDUSSCGKSA-N 1 1 306.435 2.454 50 0 DEAAMO COC1CC[NH+](CCN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091368297 539419214 /nfs/dbraw/zinc/41/92/14/539419214.db2.gz XIRAWBHGUPFDLK-CQSZACIVSA-N 1 1 316.449 2.335 50 0 DEAAMO COc1cccc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)c1 ZINC000072135149 191045779 /nfs/dbraw/zinc/04/57/79/191045779.db2.gz DSPVYRAJLIPPSY-INIZCTEOSA-N 1 1 318.417 2.066 50 0 DEAAMO c1c(CN2CC[C@@H](Cc3ccccc3)C2)nn2c1C[NH2+]CCC2 ZINC000072158334 191061287 /nfs/dbraw/zinc/06/12/87/191061287.db2.gz BTOYRODTUBUQBA-KRWDZBQOSA-N 1 1 310.445 2.441 50 0 DEAAMO COc1cccc([C@H]2CCCC[N@H+]2CCCn2cnnn2)c1 ZINC000072168895 191068251 /nfs/dbraw/zinc/06/82/51/191068251.db2.gz OQWUCBJSQBMVEU-MRXNPFEDSA-N 1 1 301.394 2.299 50 0 DEAAMO CC[C@H]1CN(Cc2nc3ccccc3o2)CC[N@H+]1C[C@@H](C)O ZINC000072279704 191099478 /nfs/dbraw/zinc/09/94/78/191099478.db2.gz IVUWYJMOZCXOFV-KGLIPLIRSA-N 1 1 303.406 2.105 50 0 DEAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183842234 186223600 /nfs/dbraw/zinc/22/36/00/186223600.db2.gz QCUPXOJQHCAKED-INIZCTEOSA-N 1 1 319.401 2.448 50 0 DEAAMO CCc1ncnc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1F ZINC000253370560 186301988 /nfs/dbraw/zinc/30/19/88/186301988.db2.gz SLOQPOMNVGOCFV-MGPQQGTHSA-N 1 1 322.428 2.256 50 0 DEAAMO COC(=O)N1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072435581 191165850 /nfs/dbraw/zinc/16/58/50/191165850.db2.gz VPAFPFILXQSQRV-UHFFFAOYSA-N 1 1 320.433 2.274 50 0 DEAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCn1cccn1 ZINC000299754416 539859699 /nfs/dbraw/zinc/85/96/99/539859699.db2.gz KUPGUSGRPUNXBB-SJORKVTESA-N 1 1 318.465 2.386 50 0 biogenic DEAAMO COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc(OC)c1O ZINC000022587941 354054379 /nfs/dbraw/zinc/05/43/79/354054379.db2.gz OCSJIBDYOMTZCG-OCCSQVGLSA-N 1 1 306.406 2.078 50 0 DEAAMO Cc1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1C ZINC000004362066 181102762 /nfs/dbraw/zinc/10/27/62/181102762.db2.gz AZUKBAFZWXWJFJ-XHSDSOJGSA-N 1 1 315.417 2.031 50 0 DEAAMO CN(Cc1cccs1)C(=O)C[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000078972724 355288653 /nfs/dbraw/zinc/28/86/53/355288653.db2.gz AWYDFFOZFZVTJI-BMFZPTHFSA-N 1 1 322.474 2.452 50 0 DEAAMO O=C(CC[NH+]1CCC(c2nc[nH]n2)CC1)Nc1cccc(F)c1 ZINC000083443374 355467624 /nfs/dbraw/zinc/46/76/24/355467624.db2.gz BXRBPNGWVPBZBJ-UHFFFAOYSA-N 1 1 317.368 2.152 50 0 DEAAMO Cc1cc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)[nH]n1 ZINC000089598981 355537736 /nfs/dbraw/zinc/53/77/36/355537736.db2.gz XMEJGGALTFTTQJ-HNNXBMFYSA-N 1 1 315.421 2.409 50 0 DEAAMO Cc1cnc(CN(Cc2cnc(C)s2)[C@@H]2CC[N@H+](C)C2)o1 ZINC000089702337 355541395 /nfs/dbraw/zinc/54/13/95/355541395.db2.gz ODFFBDKSSZPXPV-CYBMUJFWSA-N 1 1 306.435 2.454 50 0 DEAAMO CN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)C1=O ZINC000095402581 355697344 /nfs/dbraw/zinc/69/73/44/355697344.db2.gz FWLBVXUWHBOZKH-RHSMWYFYSA-N 1 1 307.438 2.219 50 0 DEAAMO CCn1nccc1C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000169791852 355984578 /nfs/dbraw/zinc/98/45/78/355984578.db2.gz RJPAUJJNEBJEGO-SJLPKXTDSA-N 1 1 324.428 2.250 50 0 DEAAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Br)o2)C1 ZINC000170607104 355989118 /nfs/dbraw/zinc/98/91/18/355989118.db2.gz SUDCHSGYTNJRPR-LLVKDONJSA-N 1 1 315.211 2.342 50 0 DEAAMO Cc1cc(CN2CC[NH+](Cc3cccc(N(C)C)c3)CC2)on1 ZINC000170639518 355990670 /nfs/dbraw/zinc/99/06/70/355990670.db2.gz OHXADNHGHSRDLU-UHFFFAOYSA-N 1 1 314.433 2.367 50 0 DEAAMO COC(=O)CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035139422 291083909 /nfs/dbraw/zinc/08/39/09/291083909.db2.gz YLVVXQJSXVMLSL-BVIKNXMNSA-N 1 1 304.434 2.054 50 0 biogenic DEAAMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccn(C)c1=O ZINC000195570025 356258336 /nfs/dbraw/zinc/25/83/36/356258336.db2.gz RIWOYINXJFHNCG-AWEZNQCLSA-N 1 1 320.437 2.017 50 0 DEAAMO CC[N@@H+](C)C(C)(C)CNC(=O)NC[C@@H](O)c1ccccc1C ZINC000584887319 357326373 /nfs/dbraw/zinc/32/63/73/357326373.db2.gz VFBDKXMJWTXQRW-OAHLLOKOSA-N 1 1 307.438 2.058 50 0 DEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC(c3ccccn3)C2)C1 ZINC000584895670 357328866 /nfs/dbraw/zinc/32/88/66/357328866.db2.gz ZKCCEPLQKPMEDY-OAHLLOKOSA-N 1 1 316.449 2.312 50 0 DEAAMO CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3c2CCC3=O)C1 ZINC000584903306 357331390 /nfs/dbraw/zinc/33/13/90/357331390.db2.gz RMUKGIWYXZKQMG-CYBMUJFWSA-N 1 1 300.402 2.420 50 0 DEAAMO CCc1[nH]nc(C(=O)NCCCNc2ccc(C)c[nH+]2)c1C ZINC000670435250 540932594 /nfs/dbraw/zinc/93/25/94/540932594.db2.gz GFGRIQCJKFLFHW-UHFFFAOYSA-N 1 1 301.394 2.216 50 0 DEAAMO CC1(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)CCOCC1 ZINC000670444908 540934811 /nfs/dbraw/zinc/93/48/11/540934811.db2.gz DTBQLGVRBQHGGJ-UHFFFAOYSA-N 1 1 306.406 2.244 50 0 DEAAMO C[C@@H](CN(C)c1cc(C(F)(F)F)ccn1)[NH+]1CCOCC1 ZINC000670460770 540937204 /nfs/dbraw/zinc/93/72/04/540937204.db2.gz FBHQTXUQESQAEX-NSHDSACASA-N 1 1 303.328 2.257 50 0 DEAAMO CCOc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000006533408 181351002 /nfs/dbraw/zinc/35/10/02/181351002.db2.gz TVMOVYSVSRNIRW-VIFPVBQESA-N 1 1 318.402 2.403 50 0 DEAAMO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000006576770 181356066 /nfs/dbraw/zinc/35/60/66/181356066.db2.gz SHGKQKIAWWNAOX-NVXWUHKLSA-N 1 1 300.402 2.442 50 0 DEAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000006576770 181356069 /nfs/dbraw/zinc/35/60/69/181356069.db2.gz SHGKQKIAWWNAOX-NVXWUHKLSA-N 1 1 300.402 2.442 50 0 DEAAMO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1nccn1C)CC2 ZINC000091468446 193060600 /nfs/dbraw/zinc/06/06/00/193060600.db2.gz YYRPSXBXERYKCB-UHFFFAOYSA-N 1 1 316.449 2.201 50 0 DEAAMO CCC[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1NC(=O)CSC ZINC000091473940 193061666 /nfs/dbraw/zinc/06/16/66/193061666.db2.gz WXVWMTNTDGUOLI-GJZGRUSLSA-N 1 1 307.463 2.161 50 0 DEAAMO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@@H](C)c3ncnn3C)[nH]c12 ZINC000091713029 193096030 /nfs/dbraw/zinc/09/60/30/193096030.db2.gz MBTCSVDPIRLMPT-LBPRGKRZSA-N 1 1 311.389 2.124 50 0 DEAAMO CC(C)C[NH+]1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091745598 193100198 /nfs/dbraw/zinc/10/01/98/193100198.db2.gz LBYMHJCJIHKGII-UHFFFAOYSA-N 1 1 318.465 2.313 50 0 DEAAMO COc1ccc2cc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)ccc2c1 ZINC000091864146 193120716 /nfs/dbraw/zinc/12/07/16/193120716.db2.gz GTPSBADMXHSJOR-INIZCTEOSA-N 1 1 311.385 2.058 50 0 DEAAMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000092015577 193142838 /nfs/dbraw/zinc/14/28/38/193142838.db2.gz AXHIQRVVXBDSKE-CQSZACIVSA-N 1 1 315.772 2.225 50 0 DEAAMO CNC(=O)CN1CCC(C[N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000093564915 193269128 /nfs/dbraw/zinc/26/91/28/193269128.db2.gz RDPUWCWFSFLPBT-UHFFFAOYSA-N 1 1 321.440 2.024 50 0 DEAAMO CNC(=O)CN1CCC(C[N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000093564915 193269130 /nfs/dbraw/zinc/26/91/30/193269130.db2.gz RDPUWCWFSFLPBT-UHFFFAOYSA-N 1 1 321.440 2.024 50 0 DEAAMO COc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000012921648 181811611 /nfs/dbraw/zinc/81/16/11/181811611.db2.gz UKBKFJISCCJFQZ-MRXNPFEDSA-N 1 1 321.421 2.174 50 0 DEAAMO O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H](O)C1 ZINC000016046597 182030652 /nfs/dbraw/zinc/03/06/52/182030652.db2.gz YPHSGVJIEGYQJL-GHMZBOCLSA-N 1 1 320.216 2.190 50 0 DEAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000016345292 182042230 /nfs/dbraw/zinc/04/22/30/182042230.db2.gz HFGGCMLBWQAEDF-AWEZNQCLSA-N 1 1 319.449 2.053 50 0 DEAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000016345292 182042232 /nfs/dbraw/zinc/04/22/32/182042232.db2.gz HFGGCMLBWQAEDF-AWEZNQCLSA-N 1 1 319.449 2.053 50 0 DEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016602525 182051559 /nfs/dbraw/zinc/05/15/59/182051559.db2.gz JSGJGJFCRVYFJZ-LLVKDONJSA-N 1 1 314.788 2.411 50 0 DEAAMO O=C(COc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019773761 182146148 /nfs/dbraw/zinc/14/61/48/182146148.db2.gz VIHRRLFJXZKRDQ-UHFFFAOYSA-N 1 1 310.397 2.410 50 0 DEAAMO CC(C)C[N@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO ZINC000019839786 182155567 /nfs/dbraw/zinc/15/55/67/182155567.db2.gz LHQIKDJTGWBAJB-HNNXBMFYSA-N 1 1 312.404 2.489 50 0 DEAAMO O=C(CC[NH+]1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000019848492 182156609 /nfs/dbraw/zinc/15/66/09/182156609.db2.gz OHDHPHBUIMLXHO-UHFFFAOYSA-N 1 1 318.295 2.246 50 0 DEAAMO CCN1CC[NH+](C2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000019888823 182160659 /nfs/dbraw/zinc/16/06/59/182160659.db2.gz RZBTVJVBJOAOIW-UHFFFAOYSA-N 1 1 317.477 2.297 50 0 DEAAMO CC[C@@H](Oc1ccccc1OC)C(=O)N1CC[NH+](CC)CC1 ZINC000020018662 182178950 /nfs/dbraw/zinc/17/89/50/182178950.db2.gz FQUCZYIUUONSGD-CQSZACIVSA-N 1 1 306.406 2.017 50 0 DEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000021055142 182264146 /nfs/dbraw/zinc/26/41/46/182264146.db2.gz YDCUGGFPZRJTDI-STQMWFEESA-N 1 1 308.397 2.443 50 0 DEAAMO CCN1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022030432 182305555 /nfs/dbraw/zinc/30/55/55/182305555.db2.gz ZQWRAHWXIWUWLF-GOSISDBHSA-N 1 1 314.429 2.217 50 0 DEAAMO O=S(=O)(CC[N@@H+]1CCc2ccccc2C1)Oc1ccccc1 ZINC000024164352 182375894 /nfs/dbraw/zinc/37/58/94/182375894.db2.gz DFFUPSRGNYSRML-UHFFFAOYSA-N 1 1 317.410 2.454 50 0 DEAAMO O=S(=O)(CC[N@H+]1CCc2ccccc2C1)Oc1ccccc1 ZINC000024164352 182375897 /nfs/dbraw/zinc/37/58/97/182375897.db2.gz DFFUPSRGNYSRML-UHFFFAOYSA-N 1 1 317.410 2.454 50 0 DEAAMO Cc1csc(=O)n1CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000040466313 183072494 /nfs/dbraw/zinc/07/24/94/183072494.db2.gz NEZWERXCYDBEMH-UHFFFAOYSA-N 1 1 306.387 2.079 50 0 DEAAMO CCc1cccc(NC(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000040477746 183076207 /nfs/dbraw/zinc/07/62/07/183076207.db2.gz RVXWLHFFRJFWNF-UHFFFAOYSA-N 1 1 304.438 2.008 50 0 DEAAMO NC(=O)c1ccc(C[N@@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000040496588 183081274 /nfs/dbraw/zinc/08/12/74/183081274.db2.gz JCWHYCGMOVMABC-SFHVURJKSA-N 1 1 310.397 2.484 50 0 DEAAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)on1 ZINC000040514246 183088613 /nfs/dbraw/zinc/08/86/13/183088613.db2.gz FOGAPARHPSWAKD-UHFFFAOYSA-N 1 1 305.403 2.393 50 0 DEAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)on1 ZINC000040514246 183088615 /nfs/dbraw/zinc/08/86/15/183088615.db2.gz FOGAPARHPSWAKD-UHFFFAOYSA-N 1 1 305.403 2.393 50 0 DEAAMO C[NH+](C)[C@@H](CNc1ncnc2[nH]cnc21)c1ccc(F)cc1 ZINC000041025958 183157734 /nfs/dbraw/zinc/15/77/34/183157734.db2.gz LICBZPBRBYPGSZ-LBPRGKRZSA-N 1 1 300.341 2.207 50 0 DEAAMO Cc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)c(C)c1 ZINC000041362257 183186517 /nfs/dbraw/zinc/18/65/17/183186517.db2.gz UXUUZQZMRSMZSB-UHFFFAOYSA-N 1 1 303.450 2.061 50 0 DEAAMO CCOc1ccc(-c2noc(CN3CC[NH+](CC)CC3)n2)cc1 ZINC000044871266 183444881 /nfs/dbraw/zinc/44/48/81/183444881.db2.gz NXZCYGNIFSCSMI-UHFFFAOYSA-N 1 1 316.405 2.273 50 0 DEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000047032724 183579521 /nfs/dbraw/zinc/57/95/21/183579521.db2.gz 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/nfs/dbraw/zinc/14/52/29/182145229.db2.gz NBLMFZTVDVTAOY-OAHLLOKOSA-N 1 1 302.374 2.203 50 0 DEAAMO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000019790653 182148982 /nfs/dbraw/zinc/14/89/82/182148982.db2.gz GLKNABKGKCGHNA-DVOMOZLQSA-N 1 1 313.825 2.327 50 0 DEAAMO C[NH+]1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000019868138 182157743 /nfs/dbraw/zinc/15/77/43/182157743.db2.gz IXQPPAMUUYMQIG-UHFFFAOYSA-N 1 1 321.852 2.192 50 0 DEAAMO CCc1ccc(C[N@H+]2CCC[C@@H](Cn3cc(CO)nn3)C2)s1 ZINC000020166499 182193921 /nfs/dbraw/zinc/19/39/21/182193921.db2.gz SBBAFKSZUZNDDV-CYBMUJFWSA-N 1 1 320.462 2.307 50 0 DEAAMO CC[NH+]1CCN(CC(=O)c2c(C)[nH]c3ccc(OC)cc32)CC1 ZINC000020189442 182195538 /nfs/dbraw/zinc/19/55/38/182195538.db2.gz CUAKFQCQBSAIDK-UHFFFAOYSA-N 1 1 315.417 2.305 50 0 DEAAMO C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000020481345 182222597 /nfs/dbraw/zinc/22/25/97/182222597.db2.gz MYXLXUZWTNZGJP-UHFFFAOYSA-N 1 1 302.205 2.179 50 0 DEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000022024308 182304739 /nfs/dbraw/zinc/30/47/39/182304739.db2.gz OQMTVSPFKPWJNN-OAHLLOKOSA-N 1 1 309.385 2.304 50 0 DEAAMO C[C@H](C(=O)NC(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023249083 182354863 /nfs/dbraw/zinc/35/48/63/182354863.db2.gz FZDIJIVVJXOTDE-OAHLLOKOSA-N 1 1 303.450 2.107 50 0 DEAAMO CCc1n[nH]c2c1C[N@H+](Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000023337581 182357350 /nfs/dbraw/zinc/35/73/50/182357350.db2.gz AAYISGYZECRGOC-UHFFFAOYSA-N 1 1 320.400 2.382 50 0 DEAAMO CCc1n[nH]c2c1C[N@@H+](Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000023337581 182357353 /nfs/dbraw/zinc/35/73/53/182357353.db2.gz AAYISGYZECRGOC-UHFFFAOYSA-N 1 1 320.400 2.382 50 0 DEAAMO CCc1[nH]nc2c1C[N@H+](Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000023337581 182357355 /nfs/dbraw/zinc/35/73/55/182357355.db2.gz AAYISGYZECRGOC-UHFFFAOYSA-N 1 1 320.400 2.382 50 0 DEAAMO CCc1[nH]nc2c1C[N@@H+](Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000023337581 182357357 /nfs/dbraw/zinc/35/73/57/182357357.db2.gz AAYISGYZECRGOC-UHFFFAOYSA-N 1 1 320.400 2.382 50 0 DEAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2F)cc1 ZINC000040449948 183068330 /nfs/dbraw/zinc/06/83/30/183068330.db2.gz BCLVRNIZANVPBF-INIZCTEOSA-N 1 1 303.333 2.448 50 0 DEAAMO COC(=O)CC[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000040461052 183069649 /nfs/dbraw/zinc/06/96/49/183069649.db2.gz LVIXUHOMOMZKSP-UHFFFAOYSA-N 1 1 303.305 2.292 50 0 DEAAMO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000040460764 183069895 /nfs/dbraw/zinc/06/98/95/183069895.db2.gz SIPPVSDAIVRNQJ-ZDUSSCGKSA-N 1 1 318.417 2.337 50 0 DEAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000040460764 183069896 /nfs/dbraw/zinc/06/98/96/183069896.db2.gz SIPPVSDAIVRNQJ-ZDUSSCGKSA-N 1 1 318.417 2.337 50 0 DEAAMO C[N@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104385766 194003895 /nfs/dbraw/zinc/00/38/95/194003895.db2.gz SGQVYXMPLLSXLD-MRXNPFEDSA-N 1 1 300.402 2.445 50 0 DEAAMO CN1CC[N@H+](Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104385766 194003896 /nfs/dbraw/zinc/00/38/96/194003896.db2.gz SGQVYXMPLLSXLD-MRXNPFEDSA-N 1 1 300.402 2.445 50 0 DEAAMO CN1CC[N@@H+](Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104385766 194003899 /nfs/dbraw/zinc/00/38/99/194003899.db2.gz SGQVYXMPLLSXLD-MRXNPFEDSA-N 1 1 300.402 2.445 50 0 DEAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000105885580 194157951 /nfs/dbraw/zinc/15/79/51/194157951.db2.gz NHOSDFCGNIXXBD-INIZCTEOSA-N 1 1 316.453 2.157 50 0 DEAAMO Cc1noc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)n1 ZINC000060470407 184150499 /nfs/dbraw/zinc/15/04/99/184150499.db2.gz CITYCHPWIMSWNR-CQSZACIVSA-N 1 1 312.373 2.012 50 0 DEAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CC2CCCC2)o1 ZINC000064014399 184291267 /nfs/dbraw/zinc/29/12/67/184291267.db2.gz VGBLFJHPAKWHBT-UHFFFAOYSA-N 1 1 300.424 2.152 50 0 DEAAMO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065369985 184329358 /nfs/dbraw/zinc/32/93/58/184329358.db2.gz UBMUJZCYEFQBKB-OAHLLOKOSA-N 1 1 311.447 2.481 50 0 DEAAMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065369985 184329359 /nfs/dbraw/zinc/32/93/59/184329359.db2.gz UBMUJZCYEFQBKB-OAHLLOKOSA-N 1 1 311.447 2.481 50 0 DEAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2ccccc2OCCO)C1 ZINC000065371957 184330189 /nfs/dbraw/zinc/33/01/89/184330189.db2.gz RJTJQMFINXVBHT-HNNXBMFYSA-N 1 1 304.434 2.116 50 0 DEAAMO O=C(c1ccc(Cl)o1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000065415733 184340478 /nfs/dbraw/zinc/34/04/78/184340478.db2.gz QYTRBAJNDGMBEJ-LBPRGKRZSA-N 1 1 312.797 2.260 50 0 DEAAMO Cc1nc(N(C)C)nc(NC[C@@]2([NH+](C)C)CCSC2)c1C ZINC000065466374 184350156 /nfs/dbraw/zinc/35/01/56/184350156.db2.gz OSLJMNYOLGRGBU-HNNXBMFYSA-N 1 1 309.483 2.009 50 0 DEAAMO Cc1cc(C[C@@H](C)[NH2+]CCC(=O)NC2CCCCCC2)n[nH]1 ZINC000065397675 184335920 /nfs/dbraw/zinc/33/59/20/184335920.db2.gz FKCXBSGAGNHFOQ-CYBMUJFWSA-N 1 1 306.454 2.468 50 0 DEAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000065402329 184337164 /nfs/dbraw/zinc/33/71/64/184337164.db2.gz FQTAFEQVFJERET-LBPRGKRZSA-N 1 1 302.378 2.131 50 0 DEAAMO CCC[C@H]1CCC[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000065403199 184337251 /nfs/dbraw/zinc/33/72/51/184337251.db2.gz VDTTTWDUYNITRL-LBPRGKRZSA-N 1 1 303.410 2.471 50 0 DEAAMO CCC[C@H]1CCC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000065403199 184337253 /nfs/dbraw/zinc/33/72/53/184337253.db2.gz VDTTTWDUYNITRL-LBPRGKRZSA-N 1 1 303.410 2.471 50 0 DEAAMO COc1c(C)c[nH+]c(CN2CCN(c3nccs3)CC2)c1C ZINC000065608587 184372810 /nfs/dbraw/zinc/37/28/10/184372810.db2.gz XIGVFNPBRBANJJ-UHFFFAOYSA-N 1 1 318.446 2.486 50 0 DEAAMO C[N@H+](CC(=O)N1CCC[C@H](n2cccn2)C1)Cc1ccccc1 ZINC000065623692 184374827 /nfs/dbraw/zinc/37/48/27/184374827.db2.gz LDRNKNABUMMDDC-KRWDZBQOSA-N 1 1 312.417 2.179 50 0 DEAAMO C[N@@H+](CC(=O)N1CCC[C@H](n2cccn2)C1)Cc1ccccc1 ZINC000065623692 184374828 /nfs/dbraw/zinc/37/48/28/184374828.db2.gz LDRNKNABUMMDDC-KRWDZBQOSA-N 1 1 312.417 2.179 50 0 DEAAMO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069420992 184513776 /nfs/dbraw/zinc/51/37/76/184513776.db2.gz AONSGGKUSKOITH-QGZVFWFLSA-N 1 1 324.428 2.491 50 0 DEAAMO Cc1cccc([C@H](C(=O)N(C)CCc2cn[nH]c2)[NH+](C)C)c1 ZINC000095377861 257271943 /nfs/dbraw/zinc/27/19/43/257271943.db2.gz FRYXHJKTJGMRKA-MRXNPFEDSA-N 1 1 300.406 2.022 50 0 DEAAMO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2Cn2cccn2)no1 ZINC000071875213 184881329 /nfs/dbraw/zinc/88/13/29/184881329.db2.gz CXIXAPYGGZIIND-CQSZACIVSA-N 1 1 317.393 2.063 50 0 DEAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000353786951 133001444 /nfs/dbraw/zinc/00/14/44/133001444.db2.gz ONPLUDGFJXDXFC-HNNXBMFYSA-N 1 1 321.852 2.391 50 0 DEAAMO Cc1ccccc1C[NH+]1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000014119956 134519037 /nfs/dbraw/zinc/51/90/37/134519037.db2.gz ZTZKANUALSPPOD-UHFFFAOYSA-N 1 1 318.808 2.054 50 0 DEAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000006911935 401734145 /nfs/dbraw/zinc/73/41/45/401734145.db2.gz DHWKNIIVGINTBY-HNNXBMFYSA-N 1 1 317.433 2.194 50 0 DEAAMO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000007486517 401741151 /nfs/dbraw/zinc/74/11/51/401741151.db2.gz RLSGRPFHAIUJDK-OAHLLOKOSA-N 1 1 317.433 2.233 50 0 DEAAMO COC(=O)c1oc2ccccc2c1NC(=O)C[NH+]1CCCC1 ZINC000000052929 401687621 /nfs/dbraw/zinc/68/76/21/401687621.db2.gz XSPRDAAAUWZMAG-UHFFFAOYSA-N 1 1 302.330 2.254 50 0 DEAAMO C[N@@H+](C[C@H](O)c1ccccc1)C[C@H]1CCCN1c1cccnn1 ZINC000071859992 401688747 /nfs/dbraw/zinc/68/87/47/401688747.db2.gz GUEZXRZOBJZBSR-SJORKVTESA-N 1 1 312.417 2.111 50 0 DEAAMO Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)cc1C ZINC000071876423 401690821 /nfs/dbraw/zinc/69/08/21/401690821.db2.gz KPEOOBZBZPVHPN-MSOLQXFVSA-N 1 1 314.433 2.483 50 0 DEAAMO O=C(NC1CCSCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000071893319 401693491 /nfs/dbraw/zinc/69/34/91/401693491.db2.gz KGXPEOARVOMYNH-INIZCTEOSA-N 1 1 319.474 2.448 50 0 DEAAMO O=C(NC1CCSCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000071893319 401693493 /nfs/dbraw/zinc/69/34/93/401693493.db2.gz KGXPEOARVOMYNH-INIZCTEOSA-N 1 1 319.474 2.448 50 0 DEAAMO O=C(NCC[C@@H]1CCCO1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000071893253 401693640 /nfs/dbraw/zinc/69/36/40/401693640.db2.gz BZYFMGCXJYFENV-IRXDYDNUSA-N 1 1 317.433 2.121 50 0 DEAAMO O=C(NCC[C@@H]1CCCO1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000071893253 401693643 /nfs/dbraw/zinc/69/36/43/401693643.db2.gz BZYFMGCXJYFENV-IRXDYDNUSA-N 1 1 317.433 2.121 50 0 DEAAMO CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)o1 ZINC000071910696 401696085 /nfs/dbraw/zinc/69/60/85/401696085.db2.gz WKBHIGUZJZAIEX-OAHLLOKOSA-N 1 1 306.406 2.228 50 0 DEAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)N(CC)CC)o1 ZINC000000532818 401700399 /nfs/dbraw/zinc/70/03/99/401700399.db2.gz OXBKCYUEMHCNHG-KOLCDFICSA-N 1 1 300.428 2.076 50 0 DEAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000072268696 401704871 /nfs/dbraw/zinc/70/48/71/401704871.db2.gz WORGLUQZWPHXGU-CHWSQXEVSA-N 1 1 322.371 2.431 50 0 DEAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000072268681 401705013 /nfs/dbraw/zinc/70/50/13/401705013.db2.gz QZFPSIWXMCVZSM-KGLIPLIRSA-N 1 1 318.421 2.312 50 0 DEAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000072268681 401705017 /nfs/dbraw/zinc/70/50/17/401705017.db2.gz QZFPSIWXMCVZSM-KGLIPLIRSA-N 1 1 318.421 2.312 50 0 DEAAMO CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707054 /nfs/dbraw/zinc/70/70/54/401707054.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 1 1 307.482 2.096 50 0 DEAAMO C[C@H]1CCCC[N@H+]1CCCNc1nnnn1-c1ccccc1 ZINC000014118467 401807182 /nfs/dbraw/zinc/80/71/82/401807182.db2.gz FAEOSWMOLUAPOG-AWEZNQCLSA-N 1 1 300.410 2.339 50 0 DEAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000008266572 401751135 /nfs/dbraw/zinc/75/11/35/401751135.db2.gz DEESLUCJZOYXNB-UONOGXRCSA-N 1 1 319.405 2.118 50 0 DEAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C1CC1 ZINC000075133116 401751203 /nfs/dbraw/zinc/75/12/03/401751203.db2.gz NHSLQFXTHCLIRK-NHYWBVRUSA-N 1 1 304.438 2.089 50 0 DEAAMO 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COc1c(C[NH2+]Cc2ccc(CO)c(F)c2)c(C(C)C)nn1C ZINC000058407793 184114777 /nfs/dbraw/zinc/11/47/77/184114777.db2.gz OMDBJTALHGEUDF-UHFFFAOYSA-N 1 1 321.396 2.473 50 0 DEAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000058431627 184117861 /nfs/dbraw/zinc/11/78/61/184117861.db2.gz AIWPYVSACYBWSC-AWEZNQCLSA-N 1 1 306.454 2.488 50 0 DEAAMO C[C@@H]1C[N@@H+](CCc2ccncc2)CCN1CCc1ccncc1 ZINC000060474052 184150100 /nfs/dbraw/zinc/15/01/00/184150100.db2.gz SAGPNGDKPYDMDF-QGZVFWFLSA-N 1 1 310.445 2.268 50 0 DEAAMO C[C@@H]1CN(CCc2ccncc2)CC[N@@H+]1CCc1ccncc1 ZINC000060474052 184150102 /nfs/dbraw/zinc/15/01/02/184150102.db2.gz SAGPNGDKPYDMDF-QGZVFWFLSA-N 1 1 310.445 2.268 50 0 DEAAMO C[C@@H]1CN(CCc2ccncc2)CC[N@H+]1CCc1ccncc1 ZINC000060474052 184150104 /nfs/dbraw/zinc/15/01/04/184150104.db2.gz SAGPNGDKPYDMDF-QGZVFWFLSA-N 1 1 310.445 2.268 50 0 DEAAMO Cc1cc(CN2CC[NH+](CCOc3ccccc3)CC2)no1 ZINC000061781912 184187164 /nfs/dbraw/zinc/18/71/64/184187164.db2.gz KBNCEJWWJWZYQV-UHFFFAOYSA-N 1 1 301.390 2.180 50 0 DEAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC000061798940 184187795 /nfs/dbraw/zinc/18/77/95/184187795.db2.gz KYNJJGXKTCQSLS-INIZCTEOSA-N 1 1 318.417 2.463 50 0 DEAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC000061798940 184187796 /nfs/dbraw/zinc/18/77/96/184187796.db2.gz KYNJJGXKTCQSLS-INIZCTEOSA-N 1 1 318.417 2.463 50 0 DEAAMO O=C1NCCCc2nc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)[nH]c21 ZINC000065409829 184339848 /nfs/dbraw/zinc/33/98/48/184339848.db2.gz DJJQWGWZVMMDKY-HNNXBMFYSA-N 1 1 324.428 2.465 50 0 DEAAMO Cc1[nH+]ccn1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000065490322 184353577 /nfs/dbraw/zinc/35/35/77/184353577.db2.gz KUQOZDWLFKYOBP-UHFFFAOYSA-N 1 1 314.370 2.041 50 0 DEAAMO COC[C@@H]1CCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1 ZINC000065525874 184359729 /nfs/dbraw/zinc/35/97/29/184359729.db2.gz IXRQYJDEMXOLRR-HNNXBMFYSA-N 1 1 310.825 2.110 50 0 DEAAMO OC[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000065550044 184364596 /nfs/dbraw/zinc/36/45/96/184364596.db2.gz HJUQFNZHSDORNE-SJORKVTESA-N 1 1 301.386 2.036 50 0 DEAAMO CC(C)[N@@H+](C)CCNC(=O)Cc1csc(-c2ccco2)n1 ZINC000065495314 184355173 /nfs/dbraw/zinc/35/51/73/184355173.db2.gz CQOJDGXXLANLJS-UHFFFAOYSA-N 1 1 307.419 2.402 50 0 DEAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c(OC)c1OC ZINC000066137488 184391713 /nfs/dbraw/zinc/39/17/13/184391713.db2.gz AMKKFHAOBZJVTI-GFCCVEGCSA-N 1 1 324.421 2.173 50 0 DEAAMO COCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065625606 184375226 /nfs/dbraw/zinc/37/52/26/184375226.db2.gz BZCRMANFUKWREG-IAGOWNOFSA-N 1 1 302.418 2.288 50 0 DEAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnsn1 ZINC000119680561 195015771 /nfs/dbraw/zinc/01/57/71/195015771.db2.gz RLNZEYXEQALPEQ-NSHDSACASA-N 1 1 322.459 2.242 50 0 DEAAMO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)n1cnc2ccccc21 ZINC000250244970 533211207 /nfs/dbraw/zinc/21/12/07/533211207.db2.gz WDHSSYDYODTBJW-GJZGRUSLSA-N 1 1 312.417 2.294 50 0 DEAAMO C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)n1cnc2ccccc21 ZINC000250244970 533211213 /nfs/dbraw/zinc/21/12/13/533211213.db2.gz WDHSSYDYODTBJW-GJZGRUSLSA-N 1 1 312.417 2.294 50 0 DEAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc[nH]c1=O ZINC000222536577 256594135 /nfs/dbraw/zinc/59/41/35/256594135.db2.gz RHXWKIRCRCKICN-CYBMUJFWSA-N 1 1 303.406 2.172 50 0 DEAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000007039348 401735719 /nfs/dbraw/zinc/73/57/19/401735719.db2.gz HEXRRPYNMUYRFC-AWEZNQCLSA-N 1 1 314.414 2.432 50 0 DEAAMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000007039348 401735723 /nfs/dbraw/zinc/73/57/23/401735723.db2.gz HEXRRPYNMUYRFC-AWEZNQCLSA-N 1 1 314.414 2.432 50 0 DEAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C)CC3)C2=O)c1 ZINC000000062269 401687638 /nfs/dbraw/zinc/68/76/38/401687638.db2.gz SJPDTXWFXMARIR-OAHLLOKOSA-N 1 1 302.374 2.059 50 0 DEAAMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)c3cccnc23)C[C@H]1C ZINC000071864507 401688812 /nfs/dbraw/zinc/68/88/12/401688812.db2.gz BZKVNKBTUICIPW-ZIAGYGMSSA-N 1 1 317.408 2.261 50 0 DEAAMO C[NH+]1CCN(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000000334738 401694867 /nfs/dbraw/zinc/69/48/67/401694867.db2.gz PYSUUFZVYIRKHV-UHFFFAOYSA-N 1 1 309.822 2.447 50 0 DEAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000000812173 401702942 /nfs/dbraw/zinc/70/29/42/401702942.db2.gz LTQJKHIHHJDLLD-BETUJISGSA-N 1 1 304.390 2.374 50 0 DEAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2[C@H](C(N)=O)c2ccccc2)c1 ZINC000072253306 401704134 /nfs/dbraw/zinc/70/41/34/401704134.db2.gz WMFJRRJGLOWFBN-IRXDYDNUSA-N 1 1 312.417 2.273 50 0 DEAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2[C@H](C(N)=O)c2ccccc2)c1 ZINC000072253306 401704137 /nfs/dbraw/zinc/70/41/37/401704137.db2.gz WMFJRRJGLOWFBN-IRXDYDNUSA-N 1 1 312.417 2.273 50 0 DEAAMO CCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000072297698 401707691 /nfs/dbraw/zinc/70/76/91/401707691.db2.gz MWARGTICMZWLLD-HNNXBMFYSA-N 1 1 305.422 2.427 50 0 DEAAMO Cc1ccc(C)c(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)c1 ZINC000013999939 401805671 /nfs/dbraw/zinc/80/56/71/401805671.db2.gz LQHKTXSSOCDZMI-DZKIICNBSA-N 1 1 315.417 2.031 50 0 DEAAMO CC(C)(C)c1cc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)n[nH]1 ZINC000077358914 401811833 /nfs/dbraw/zinc/81/18/33/401811833.db2.gz IFQWQCSSLJRFEQ-SFHVURJKSA-N 1 1 320.481 2.130 50 0 DEAAMO Cc1cccc(C)c1OCCC[N@H+]1CCCN(C(N)=O)CC1 ZINC000075137766 401751431 /nfs/dbraw/zinc/75/14/31/401751431.db2.gz YCLNATOMVXLFIR-UHFFFAOYSA-N 1 1 305.422 2.159 50 0 DEAAMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CSCc1cccnc1 ZINC000075143260 401751730 /nfs/dbraw/zinc/75/17/30/401751730.db2.gz NJGJAGMIMZCOFV-HNNXBMFYSA-N 1 1 307.463 2.113 50 0 DEAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CSCc1cccnc1 ZINC000075143260 401751731 /nfs/dbraw/zinc/75/17/31/401751731.db2.gz NJGJAGMIMZCOFV-HNNXBMFYSA-N 1 1 307.463 2.113 50 0 DEAAMO Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCCCO)c12 ZINC000009423240 401762222 /nfs/dbraw/zinc/76/22/22/401762222.db2.gz HZBVEQBKASZRBE-UHFFFAOYSA-N 1 1 311.389 2.286 50 0 DEAAMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccccc2N(C)C)CC1 ZINC000075712151 401766939 /nfs/dbraw/zinc/76/69/39/401766939.db2.gz DSAYHMGQSAUBNO-UHFFFAOYSA-N 1 1 303.450 2.443 50 0 DEAAMO Cn1nccc1C(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011998071 401778271 /nfs/dbraw/zinc/77/82/71/401778271.db2.gz WBELQTDPZVFKFK-AWEZNQCLSA-N 1 1 304.438 2.337 50 0 DEAAMO COCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012315388 401782957 /nfs/dbraw/zinc/78/29/57/401782957.db2.gz OVRNGGVFSXHDRT-QGZVFWFLSA-N 1 1 318.461 2.354 50 0 DEAAMO O=C(Cc1ccsc1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077337383 401810838 /nfs/dbraw/zinc/81/08/38/401810838.db2.gz OBYAHMJWCZYZIM-UHFFFAOYSA-N 1 1 315.442 2.420 50 0 DEAAMO O=C(Cc1ccsc1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077337383 401810841 /nfs/dbraw/zinc/81/08/41/401810841.db2.gz OBYAHMJWCZYZIM-UHFFFAOYSA-N 1 1 315.442 2.420 50 0 DEAAMO C[N@@H+](Cc1ccc2nonc2c1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077555142 401819883 /nfs/dbraw/zinc/81/98/83/401819883.db2.gz PTZWNBWAEKQUEG-AWEZNQCLSA-N 1 1 317.389 2.383 50 0 DEAAMO NC(=O)[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1 ZINC000026225645 401839207 /nfs/dbraw/zinc/83/92/07/401839207.db2.gz HMFBFWMCRMDGOZ-GOSISDBHSA-N 1 1 320.396 2.248 50 0 DEAAMO Cc1nnc2ccc(NC3CCN(c4ccc(C)c[nH+]4)CC3)nn12 ZINC000078305705 401846160 /nfs/dbraw/zinc/84/61/60/401846160.db2.gz YPKDKMFVIDVRGW-UHFFFAOYSA-N 1 1 323.404 2.217 50 0 DEAAMO NC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000029630346 401857315 /nfs/dbraw/zinc/85/73/15/401857315.db2.gz VYJORZHEIHRCQM-UHFFFAOYSA-N 1 1 323.440 2.269 50 0 DEAAMO CCOc1cc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)ncn1 ZINC000129961340 401813410 /nfs/dbraw/zinc/81/34/10/401813410.db2.gz INNTTZNZLDJBHM-CQSZACIVSA-N 1 1 313.405 2.154 50 0 DEAAMO CCC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077454583 401815738 /nfs/dbraw/zinc/81/57/38/401815738.db2.gz ORBRBCUVMJEKDF-SFHVURJKSA-N 1 1 316.449 2.400 50 0 DEAAMO OCc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000015065015 401815879 /nfs/dbraw/zinc/81/58/79/401815879.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 1 1 304.434 2.470 50 0 DEAAMO CC(C)[C@H](CNC(=O)/C=C/c1ccccc1)[NH+]1CCOCC1 ZINC000032935172 401887060 /nfs/dbraw/zinc/88/70/60/401887060.db2.gz FVBKQQDMYRJWMT-IJDCCNJMSA-N 1 1 302.418 2.173 50 0 DEAAMO COCC[N@H+](Cc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036096245 401902008 /nfs/dbraw/zinc/90/20/08/401902008.db2.gz ZKXRXMGJXDYZBA-MRXNPFEDSA-N 1 1 313.413 2.308 50 0 DEAAMO CCNc1cc(NCCNC(=O)Nc2ccccc2)[nH+]c(C)n1 ZINC000036708106 401906346 /nfs/dbraw/zinc/90/63/46/401906346.db2.gz AKHCSQGIOBKYQW-UHFFFAOYSA-N 1 1 314.393 2.450 50 0 DEAAMO O=C([C@@H]1CCCN1c1cc[nH+]cc1Cl)N1CCSCC1 ZINC000084615022 401908042 /nfs/dbraw/zinc/90/80/42/401908042.db2.gz RQTKULIBOIFBDL-ZDUSSCGKSA-N 1 1 311.838 2.279 50 0 DEAAMO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000089702329 401958210 /nfs/dbraw/zinc/95/82/10/401958210.db2.gz QJAYYHZOSMOIRB-MRXNPFEDSA-N 1 1 314.389 2.001 50 0 DEAAMO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000089702329 401958211 /nfs/dbraw/zinc/95/82/11/401958211.db2.gz QJAYYHZOSMOIRB-MRXNPFEDSA-N 1 1 314.389 2.001 50 0 DEAAMO CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000089885197 401970315 /nfs/dbraw/zinc/97/03/15/401970315.db2.gz DIESRBIUAAZKND-INIZCTEOSA-N 1 1 302.418 2.495 50 0 DEAAMO CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000089885196 401970434 /nfs/dbraw/zinc/97/04/34/401970434.db2.gz DIESRBIUAAZKND-MRXNPFEDSA-N 1 1 302.418 2.495 50 0 DEAAMO CC(=O)CC(C)(C)NC(=O)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000089914127 401973133 /nfs/dbraw/zinc/97/31/33/401973133.db2.gz FJQDTKMAUWZBHD-UHFFFAOYSA-N 1 1 317.433 2.310 50 0 DEAAMO CC(=O)CC(C)(C)NC(=O)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000089914127 401973136 /nfs/dbraw/zinc/97/31/36/401973136.db2.gz FJQDTKMAUWZBHD-UHFFFAOYSA-N 1 1 317.433 2.310 50 0 DEAAMO CC[C@@H](C)CS(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000089942242 401976387 /nfs/dbraw/zinc/97/63/87/401976387.db2.gz WFYFCMMTFUMPPL-IUODEOHRSA-N 1 1 316.442 2.394 50 0 DEAAMO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000048113488 401994210 /nfs/dbraw/zinc/99/42/10/401994210.db2.gz AFEFUKPIQVKPEW-CQSZACIVSA-N 1 1 317.433 2.117 50 0 DEAAMO Cc1cc(C)cc(C2(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000048190169 401995601 /nfs/dbraw/zinc/99/56/01/401995601.db2.gz POIJEHLBGCSILG-UHFFFAOYSA-N 1 1 316.445 2.174 50 0 DEAAMO O=C(NCCc1nccs1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095352406 402026403 /nfs/dbraw/zinc/02/64/03/402026403.db2.gz CXWWVZMNCRBPAR-CYBMUJFWSA-N 1 1 319.430 2.307 50 0 DEAAMO Cc1ccccc1[C@H](C(=O)N(C)CCc1cn[nH]c1)[NH+](C)C ZINC000095360174 402028004 /nfs/dbraw/zinc/02/80/04/402028004.db2.gz PNGHYGKBXVURIT-MRXNPFEDSA-N 1 1 300.406 2.022 50 0 DEAAMO Cc1ccccc1[C@@H](C(=O)N1CCC(CCO)CC1)[NH+](C)C ZINC000095362597 402028047 /nfs/dbraw/zinc/02/80/47/402028047.db2.gz KYZQJRNQXVHVHK-KRWDZBQOSA-N 1 1 304.434 2.219 50 0 DEAAMO Cc1cccc([C@H](C(=O)N2CCC3(CCO3)CC2)[NH+](C)C)c1 ZINC000095374796 402029767 /nfs/dbraw/zinc/02/97/67/402029767.db2.gz 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ZINC000020166500 182193988 /nfs/dbraw/zinc/19/39/88/182193988.db2.gz SBBAFKSZUZNDDV-ZDUSSCGKSA-N 1 1 320.462 2.307 50 0 DEAAMO CC1=C(CC[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)C(C)(C)CCC1 ZINC000020204482 182197773 /nfs/dbraw/zinc/19/77/73/182197773.db2.gz AMMALYVOAPJMMN-ROUUACIJSA-N 1 1 322.493 2.280 50 0 DEAAMO C[N@@H+](Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 ZINC000020536336 182227781 /nfs/dbraw/zinc/22/77/81/182227781.db2.gz BLSYMXLJFJJEQZ-HNNXBMFYSA-N 1 1 310.357 2.297 50 0 DEAAMO C[N@H+](Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 ZINC000020536336 182227784 /nfs/dbraw/zinc/22/77/84/182227784.db2.gz BLSYMXLJFJJEQZ-HNNXBMFYSA-N 1 1 310.357 2.297 50 0 DEAAMO Cc1cc(CN(C)CC[N@H+]2CCOc3ccccc3C2)[nH]n1 ZINC000020877951 182251356 /nfs/dbraw/zinc/25/13/56/182251356.db2.gz UYZUHBXDSXWDKY-UHFFFAOYSA-N 1 1 300.406 2.045 50 0 DEAAMO Cn1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000021556878 182279748 /nfs/dbraw/zinc/27/97/48/182279748.db2.gz MOLYHKVYQHJGOO-AWEZNQCLSA-N 1 1 306.797 2.106 50 0 DEAAMO CN1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000022461268 182322161 /nfs/dbraw/zinc/32/21/61/182322161.db2.gz VTRGHYUYVMVOQU-UHFFFAOYSA-N 1 1 315.339 2.281 50 0 DEAAMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000023281070 182355418 /nfs/dbraw/zinc/35/54/18/182355418.db2.gz KBGDSEWJMAOSSP-GFCCVEGCSA-N 1 1 300.196 2.414 50 0 DEAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CO ZINC000023281070 182355420 /nfs/dbraw/zinc/35/54/20/182355420.db2.gz KBGDSEWJMAOSSP-GFCCVEGCSA-N 1 1 300.196 2.414 50 0 DEAAMO CC(=O)N1CCC([N@H+]2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000023340515 182357693 /nfs/dbraw/zinc/35/76/93/182357693.db2.gz OSHBQMZAWSGACG-SFHVURJKSA-N 1 1 320.408 2.080 50 0 DEAAMO O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCC[C@@H](O)C1 ZINC000023709570 182366359 /nfs/dbraw/zinc/36/63/59/182366359.db2.gz RJZHHRNFYKGDKQ-HZPDHXFCSA-N 1 1 301.386 2.036 50 0 DEAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccnn2C)C1 ZINC000681465970 542152192 /nfs/dbraw/zinc/15/21/92/542152192.db2.gz RBNXJOJJTDPBGC-ZFWWWQNUSA-N 1 1 313.405 2.377 50 0 DEAAMO Cc1nc2ccccn2c1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000038629924 183004028 /nfs/dbraw/zinc/00/40/28/183004028.db2.gz YCQIALMZAVJRMF-ZDUSSCGKSA-N 1 1 312.373 2.268 50 0 DEAAMO CCCCc1nc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039421470 183017904 /nfs/dbraw/zinc/01/79/04/183017904.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 1 1 308.470 2.029 50 0 DEAAMO CCCCc1ncc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)[nH]1 ZINC000039421470 183017909 /nfs/dbraw/zinc/01/79/09/183017909.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 1 1 308.470 2.029 50 0 DEAAMO CCCCc1ncc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)[nH]1 ZINC000039421470 183017910 /nfs/dbraw/zinc/01/79/10/183017910.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 1 1 308.470 2.029 50 0 DEAAMO C[N@H+](CCOc1ccccc1Cl)CC(=O)NCC(F)(F)F ZINC000040468515 183073693 /nfs/dbraw/zinc/07/36/93/183073693.db2.gz LDPVBSHVKBNMHR-UHFFFAOYSA-N 1 1 324.730 2.329 50 0 DEAAMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)NCC(F)(F)F ZINC000040468515 183073695 /nfs/dbraw/zinc/07/36/95/183073695.db2.gz LDPVBSHVKBNMHR-UHFFFAOYSA-N 1 1 324.730 2.329 50 0 DEAAMO COc1ccc(F)c(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000104521428 194013005 /nfs/dbraw/zinc/01/30/05/194013005.db2.gz SKVWYXMNLCKRQC-MRXNPFEDSA-N 1 1 324.440 2.359 50 0 DEAAMO c1ncn(C[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000105882536 194156123 /nfs/dbraw/zinc/15/61/23/194156123.db2.gz WVWZURPWTOSSGP-CQSZACIVSA-N 1 1 324.388 2.240 50 0 DEAAMO c1ncn(C[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000105882536 194156125 /nfs/dbraw/zinc/15/61/25/194156125.db2.gz WVWZURPWTOSSGP-CQSZACIVSA-N 1 1 324.388 2.240 50 0 DEAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000110646160 194345971 /nfs/dbraw/zinc/34/59/71/194345971.db2.gz PWGFNXILOHDUAY-ZIAGYGMSSA-N 1 1 303.431 2.410 50 0 DEAAMO C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000058162004 184082861 /nfs/dbraw/zinc/08/28/61/184082861.db2.gz YJZRNAXGYZCQHF-UHFFFAOYSA-N 1 1 316.174 2.368 50 0 DEAAMO O[C@@H](COCc1cccs1)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058217653 184089757 /nfs/dbraw/zinc/08/97/57/184089757.db2.gz BKOYNVBCABNQGV-CQSZACIVSA-N 1 1 321.446 2.228 50 0 DEAAMO Cc1noc(C)c1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000064344433 184295063 /nfs/dbraw/zinc/29/50/63/184295063.db2.gz AFXBGJUUUCYWNF-UHFFFAOYSA-N 1 1 307.438 2.226 50 0 DEAAMO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000065288781 184323298 /nfs/dbraw/zinc/32/32/98/184323298.db2.gz WNEMTAUCNIEFTF-KRWDZBQOSA-N 1 1 307.482 2.195 50 0 DEAAMO O=C(Cc1cccs1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000065288803 184323466 /nfs/dbraw/zinc/32/34/66/184323466.db2.gz NNGWFHDDRDVFHH-OAHLLOKOSA-N 1 1 322.474 2.394 50 0 DEAAMO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065369984 184329163 /nfs/dbraw/zinc/32/91/63/184329163.db2.gz UBMUJZCYEFQBKB-HNNXBMFYSA-N 1 1 311.447 2.481 50 0 DEAAMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065369984 184329164 /nfs/dbraw/zinc/32/91/64/184329164.db2.gz UBMUJZCYEFQBKB-HNNXBMFYSA-N 1 1 311.447 2.481 50 0 DEAAMO Cc1c[nH+]c(NCc2ccc(-n3cncn3)cc2)nc1N(C)C ZINC000065375345 184331446 /nfs/dbraw/zinc/33/14/46/184331446.db2.gz AMLHRHOARXRYHV-UHFFFAOYSA-N 1 1 309.377 2.044 50 0 DEAAMO C[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 ZINC000065426142 184342633 /nfs/dbraw/zinc/34/26/33/184342633.db2.gz LJROJGWOVBHBGP-CYBMUJFWSA-N 1 1 316.401 2.172 50 0 DEAAMO Cn1cc(C[N@@H+](C)C[C@@H]2CCCN(CCO)C2)c2ccccc21 ZINC000065499829 184355324 /nfs/dbraw/zinc/35/53/24/184355324.db2.gz UINVVESXNNCCJD-INIZCTEOSA-N 1 1 315.461 2.314 50 0 DEAAMO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000065500381 184355564 /nfs/dbraw/zinc/35/55/64/184355564.db2.gz GIZRIAFLYNJJBR-OAHLLOKOSA-N 1 1 303.406 2.102 50 0 DEAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000000489166 285222362 /nfs/dbraw/zinc/22/23/62/285222362.db2.gz WIVHHJZQKWCBGX-HFTRVMKXSA-N 1 1 310.397 2.001 50 0 DEAAMO O=C(c1ccncc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000057434731 256538227 /nfs/dbraw/zinc/53/82/27/256538227.db2.gz OCIJMNCRNWHSCG-UHFFFAOYSA-N 1 1 309.413 2.472 50 0 DEAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000216506338 257273495 /nfs/dbraw/zinc/27/34/95/257273495.db2.gz OGJHEXGHMMYGFR-AWEZNQCLSA-N 1 1 318.808 2.236 50 0 DEAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000216506338 257273496 /nfs/dbraw/zinc/27/34/96/257273496.db2.gz OGJHEXGHMMYGFR-AWEZNQCLSA-N 1 1 318.808 2.236 50 0 DEAAMO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1OC ZINC000003684324 401725066 /nfs/dbraw/zinc/72/50/66/401725066.db2.gz SWIHAXIVHRTFQL-UHFFFAOYSA-N 1 1 313.401 2.421 50 0 DEAAMO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH+]2CCCCC2)c1 ZINC000007909233 401745716 /nfs/dbraw/zinc/74/57/16/401745716.db2.gz AFZMOARHJMGCJR-UHFFFAOYSA-N 1 1 317.433 2.186 50 0 DEAAMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCCCC1 ZINC000007909263 401745962 /nfs/dbraw/zinc/74/59/62/401745962.db2.gz HRSIGXXYVWLRAR-UHFFFAOYSA-N 1 1 323.824 2.189 50 0 DEAAMO O=C([C@H](CO)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071863810 401688803 /nfs/dbraw/zinc/68/88/03/401688803.db2.gz VTOFNIYONRVLCL-LJQANCHMSA-N 1 1 324.424 2.107 50 0 DEAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccnc1 ZINC000071876733 401690786 /nfs/dbraw/zinc/69/07/86/401690786.db2.gz ATHOLVAUBUTYRN-OAHLLOKOSA-N 1 1 313.405 2.208 50 0 DEAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1cccnc1 ZINC000071876733 401690790 /nfs/dbraw/zinc/69/07/90/401690790.db2.gz ATHOLVAUBUTYRN-OAHLLOKOSA-N 1 1 313.405 2.208 50 0 DEAAMO CC(C)N1CC[C@H]([N@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC000110658088 401692899 /nfs/dbraw/zinc/69/28/99/401692899.db2.gz HMNMJTSVJGWOTM-IRXDYDNUSA-N 1 1 302.418 2.242 50 0 DEAAMO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC000110658088 401692901 /nfs/dbraw/zinc/69/29/01/401692901.db2.gz HMNMJTSVJGWOTM-IRXDYDNUSA-N 1 1 302.418 2.242 50 0 DEAAMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000071892871 401693290 /nfs/dbraw/zinc/69/32/90/401693290.db2.gz MXIHLEJLDBAMCW-INIZCTEOSA-N 1 1 322.884 2.337 50 0 DEAAMO C[N@@H+](CC(=O)NCc1ccc(Br)cc1F)C1CC1 ZINC000071898185 401694371 /nfs/dbraw/zinc/69/43/71/401694371.db2.gz DLPIDUMSCLAYQZ-UHFFFAOYSA-N 1 1 315.186 2.299 50 0 DEAAMO Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)s1 ZINC000071908333 401695556 /nfs/dbraw/zinc/69/55/56/401695556.db2.gz VMINVKPSWRFAOL-CQSZACIVSA-N 1 1 308.447 2.442 50 0 DEAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000071916447 401697335 /nfs/dbraw/zinc/69/73/35/401697335.db2.gz WPKPPRUNYFIKLK-QGZVFWFLSA-N 1 1 302.418 2.336 50 0 DEAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000071916447 401697337 /nfs/dbraw/zinc/69/73/37/401697337.db2.gz WPKPPRUNYFIKLK-QGZVFWFLSA-N 1 1 302.418 2.336 50 0 DEAAMO COc1nc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc2ccccc21 ZINC000072095174 401703255 /nfs/dbraw/zinc/70/32/55/401703255.db2.gz UCEYGMIQBQEGQP-LBPRGKRZSA-N 1 1 313.401 2.456 50 0 DEAAMO O=C(NCc1cccc(Cl)c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000072274015 401705384 /nfs/dbraw/zinc/70/53/84/401705384.db2.gz SWPFJRWUOMRAHR-CABCVRRESA-N 1 1 323.824 2.002 50 0 DEAAMO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013450789 401800251 /nfs/dbraw/zinc/80/02/51/401800251.db2.gz XRTJXPJQATUXQS-WFASDCNBSA-N 1 1 302.374 2.202 50 0 DEAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Cl ZINC000013856455 401805237 /nfs/dbraw/zinc/80/52/37/401805237.db2.gz AVFXHWZCJCTLBL-IHRRRGAJSA-N 1 1 321.808 2.068 50 0 DEAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C)[nH]c2=O)c1 ZINC000075125518 401750171 /nfs/dbraw/zinc/75/01/71/401750171.db2.gz LOQIQSHNSJROKP-UHFFFAOYSA-N 1 1 313.401 2.065 50 0 DEAAMO O=C1O[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2N1CCc1ccccn1 ZINC000011820941 401776887 /nfs/dbraw/zinc/77/68/87/401776887.db2.gz XDRRZNNHDJSNFE-JKSUJKDBSA-N 1 1 301.390 2.072 50 0 DEAAMO COC[C@H]1CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000012387418 401784529 /nfs/dbraw/zinc/78/45/29/401784529.db2.gz KWCQYFQHKZCWEW-HNNXBMFYSA-N 1 1 301.390 2.323 50 0 DEAAMO COC[C@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000012387418 401784534 /nfs/dbraw/zinc/78/45/34/401784534.db2.gz 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COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007340798 181456173 /nfs/dbraw/zinc/45/61/73/181456173.db2.gz AAKNBXCRFJFLAR-GFCCVEGCSA-N 1 1 319.405 2.324 50 0 DEAAMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000093813670 193312397 /nfs/dbraw/zinc/31/23/97/193312397.db2.gz RYXPLIKSNUOPAE-QGZVFWFLSA-N 1 1 303.406 2.067 50 0 DEAAMO C[NH+]1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1 ZINC000015480013 182004235 /nfs/dbraw/zinc/00/42/35/182004235.db2.gz YRUVLTZINIKSCR-UHFFFAOYSA-N 1 1 303.387 2.291 50 0 DEAAMO O=C(CC[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000019841351 182155909 /nfs/dbraw/zinc/15/59/09/182155909.db2.gz FFKILSHSSTVOBO-UHFFFAOYSA-N 1 1 313.195 2.110 50 0 DEAAMO Cc1cc(CN2CC[N@H+](C)[C@@H](CCO)C2)c2ccc(F)cc2n1 ZINC000019866857 182158552 /nfs/dbraw/zinc/15/85/52/182158552.db2.gz IIPCKVFBVNCXNX-INIZCTEOSA-N 1 1 317.408 2.181 50 0 DEAAMO Cc1cc(C[N@H+]2CCN(C)[C@@H](CCO)C2)c2ccc(F)cc2n1 ZINC000019866857 182158554 /nfs/dbraw/zinc/15/85/54/182158554.db2.gz IIPCKVFBVNCXNX-INIZCTEOSA-N 1 1 317.408 2.181 50 0 DEAAMO Cc1cc(C[N@@H+]2CCN(C)[C@@H](CCO)C2)c2ccc(F)cc2n1 ZINC000019866857 182158555 /nfs/dbraw/zinc/15/85/55/182158555.db2.gz IIPCKVFBVNCXNX-INIZCTEOSA-N 1 1 317.408 2.181 50 0 DEAAMO OCC[NH+]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000022944985 182343587 /nfs/dbraw/zinc/34/35/87/182343587.db2.gz KBNVCTUMVZYTHC-UHFFFAOYSA-N 1 1 321.808 2.105 50 0 DEAAMO COc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000023624248 182364897 /nfs/dbraw/zinc/36/48/97/182364897.db2.gz VJBIBEPXACRITD-CQSZACIVSA-N 1 1 321.421 2.174 50 0 DEAAMO COc1ccccc1CC(=O)NCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040107566 183036148 /nfs/dbraw/zinc/03/61/48/183036148.db2.gz MZTMEGQZFUGFMJ-GASCZTMLSA-N 1 1 304.434 2.332 50 0 DEAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)cc1OC ZINC000040497710 183081632 /nfs/dbraw/zinc/08/16/32/183081632.db2.gz JDZFLZFJLATMDY-AWEZNQCLSA-N 1 1 304.390 2.119 50 0 DEAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC2)cc1OC ZINC000040497710 183081636 /nfs/dbraw/zinc/08/16/36/183081636.db2.gz JDZFLZFJLATMDY-AWEZNQCLSA-N 1 1 304.390 2.119 50 0 DEAAMO C[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000041362652 183186435 /nfs/dbraw/zinc/18/64/35/183186435.db2.gz MTJHOGCWXWNRBH-UHFFFAOYSA-N 1 1 315.417 2.190 50 0 DEAAMO CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Cl ZINC000042157432 183236585 /nfs/dbraw/zinc/23/65/85/183236585.db2.gz LMKFCJBEKGPOFJ-UHFFFAOYSA-N 1 1 323.824 2.492 50 0 DEAAMO CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Cl ZINC000042157432 183236587 /nfs/dbraw/zinc/23/65/87/183236587.db2.gz LMKFCJBEKGPOFJ-UHFFFAOYSA-N 1 1 323.824 2.492 50 0 DEAAMO CCCOc1cccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000106577526 194232234 /nfs/dbraw/zinc/23/22/34/194232234.db2.gz MUFBEPFNUIRUHM-RDJZCZTQSA-N 1 1 318.417 2.068 50 0 DEAAMO COCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000110591958 194340579 /nfs/dbraw/zinc/34/05/79/194340579.db2.gz SJTSUSHOLRNMCO-HZPDHXFCSA-N 1 1 305.422 2.015 50 0 DEAAMO CC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208883 184088175 /nfs/dbraw/zinc/08/81/75/184088175.db2.gz JWSSMWSQDVOKRV-AWEZNQCLSA-N 1 1 317.393 2.303 50 0 DEAAMO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058226022 184091060 /nfs/dbraw/zinc/09/10/60/184091060.db2.gz FASJUEKIHKSBFE-MRXNPFEDSA-N 1 1 315.417 2.337 50 0 DEAAMO C[C@H](CNc1ccc2nncn2n1)[N@H+]1CCc2sccc2C1 ZINC000058392610 184111928 /nfs/dbraw/zinc/11/19/28/184111928.db2.gz UJOIBAQHSCRFOC-LLVKDONJSA-N 1 1 314.418 2.045 50 0 DEAAMO Cc1nc2c(c(N(C)CC[C@@H]3CCCCO3)n1)CC[N@@H+](C)CC2 ZINC000065410799 184340349 /nfs/dbraw/zinc/34/03/49/184340349.db2.gz SMZCPAXRVHMCQD-HNNXBMFYSA-N 1 1 318.465 2.211 50 0 DEAAMO Cc1ccc2nc(C[N@H+]3C[C@@H](C)OC(C)(C)C3)cc(=O)n2c1 ZINC000065427057 184342467 /nfs/dbraw/zinc/34/24/67/184342467.db2.gz PMOMVAJEEKVALM-CYBMUJFWSA-N 1 1 301.390 2.002 50 0 DEAAMO Cc1ccc2nc(C[N@@H+]3C[C@@H](C)OC(C)(C)C3)cc(=O)n2c1 ZINC000065427057 184342468 /nfs/dbraw/zinc/34/24/68/184342468.db2.gz PMOMVAJEEKVALM-CYBMUJFWSA-N 1 1 301.390 2.002 50 0 DEAAMO CCn1cncc1C[NH2+]CC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000065459706 184348511 /nfs/dbraw/zinc/34/85/11/184348511.db2.gz WNKMIWXPBMPGOS-UHFFFAOYSA-N 1 1 322.796 2.293 50 0 DEAAMO CSc1nc(C(=O)N2CCC3(CC[N@@H+](C)C3)CC2)cs1 ZINC000065461717 184349154 /nfs/dbraw/zinc/34/91/54/184349154.db2.gz XUQMZFAMNFOEPE-UHFFFAOYSA-N 1 1 311.476 2.423 50 0 DEAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000065475124 184351787 /nfs/dbraw/zinc/35/17/87/184351787.db2.gz GXWUJAUUIVOLNK-AWEZNQCLSA-N 1 1 306.454 2.408 50 0 DEAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C2CCC2)C1 ZINC000065585623 184368920 /nfs/dbraw/zinc/36/89/20/184368920.db2.gz AYNGMIREKARFGT-HNNXBMFYSA-N 1 1 315.417 2.123 50 0 DEAAMO CCN(Cc1cnn(C)c1)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095359749 285126312 /nfs/dbraw/zinc/12/63/12/285126312.db2.gz NRGDDCPEXJHBHR-QGZVFWFLSA-N 1 1 314.433 2.380 50 0 DEAAMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)C1(C)C ZINC000120721566 195223605 /nfs/dbraw/zinc/22/36/05/195223605.db2.gz VFUJJEPNCCIBBL-HUUCEWRRSA-N 1 1 315.417 2.330 50 0 DEAAMO C[C@@H](O)CCC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408519770 533588310 /nfs/dbraw/zinc/58/83/10/533588310.db2.gz ZWOMFTYLLKAIFE-HZPDHXFCSA-N 1 1 319.449 2.296 50 0 DEAAMO COc1c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C)nn1C ZINC000377624792 133338049 /nfs/dbraw/zinc/33/80/49/133338049.db2.gz LEJSYQSPMPUHGH-ZDUSSCGKSA-N 1 1 321.343 2.016 50 0 DEAAMO COc1c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C)nn1C ZINC000377624792 133338050 /nfs/dbraw/zinc/33/80/50/133338050.db2.gz LEJSYQSPMPUHGH-ZDUSSCGKSA-N 1 1 321.343 2.016 50 0 DEAAMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[C@H]1CCCO1 ZINC000346834220 146150513 /nfs/dbraw/zinc/15/05/13/146150513.db2.gz NWZAAPWDUKKEPO-RRQGHBQHSA-N 1 1 317.433 2.116 50 0 DEAAMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[C@@H]1CCCO1 ZINC000346834218 146150526 /nfs/dbraw/zinc/15/05/26/146150526.db2.gz NWZAAPWDUKKEPO-JQFCIGGWSA-N 1 1 317.433 2.116 50 0 DEAAMO C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)c1cccnc1 ZINC000000245176 401691830 /nfs/dbraw/zinc/69/18/30/401691830.db2.gz XQLKXGMQUXXDNV-OAHLLOKOSA-N 1 1 306.479 2.481 50 0 DEAAMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000071914928 401696795 /nfs/dbraw/zinc/69/67/95/401696795.db2.gz QBXPOMIWPRXXHL-HOCLYGCPSA-N 1 1 320.408 2.252 50 0 DEAAMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000071914930 401697040 /nfs/dbraw/zinc/69/70/40/401697040.db2.gz QBXPOMIWPRXXHL-GOEBONIOSA-N 1 1 320.408 2.252 50 0 DEAAMO COc1cc(OC)c(OC)cc1C[N@H+](C)C1CCN(C)CC1 ZINC000002490779 401714288 /nfs/dbraw/zinc/71/42/88/401714288.db2.gz CRPUMQKKMSZDFB-UHFFFAOYSA-N 1 1 308.422 2.238 50 0 DEAAMO COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CCN(C)CC1 ZINC000002490779 401714291 /nfs/dbraw/zinc/71/42/91/401714291.db2.gz CRPUMQKKMSZDFB-UHFFFAOYSA-N 1 1 308.422 2.238 50 0 DEAAMO C[C@H]1CCc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000013744362 401803772 /nfs/dbraw/zinc/80/37/72/401803772.db2.gz CODCVALFBIYPLW-ZDUSSCGKSA-N 1 1 322.474 2.325 50 0 DEAAMO Cc1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(=O)[nH]1 ZINC000075124139 401750253 /nfs/dbraw/zinc/75/02/53/401750253.db2.gz CBNMTSPKHMYBJB-ZNMIVQPWSA-N 1 1 317.433 2.161 50 0 DEAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000075130946 401750792 /nfs/dbraw/zinc/75/07/92/401750792.db2.gz ACTBGAUKFNBERA-ZDUSSCGKSA-N 1 1 324.388 2.194 50 0 DEAAMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000075145899 401752199 /nfs/dbraw/zinc/75/21/99/401752199.db2.gz TXPLWKQCDNULCM-UMVBOHGHSA-N 1 1 308.447 2.173 50 0 DEAAMO COc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccn1 ZINC000077299533 401809606 /nfs/dbraw/zinc/80/96/06/401809606.db2.gz PKAVBUQEFNKTAU-UHFFFAOYSA-N 1 1 303.406 2.181 50 0 DEAAMO COc1cc2[nH+]c(NCc3cc(C)on3)nc(N)c2cc1OC ZINC000075610196 401764468 /nfs/dbraw/zinc/76/44/68/401764468.db2.gz DRACALUAHDMVSB-UHFFFAOYSA-N 1 1 315.333 2.138 50 0 DEAAMO Cc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000011843459 401776578 /nfs/dbraw/zinc/77/65/78/401776578.db2.gz XLHFKLJIRCLGBB-SFHVURJKSA-N 1 1 320.433 2.173 50 0 DEAAMO NC(=O)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000026897968 401842812 /nfs/dbraw/zinc/84/28/12/401842812.db2.gz FWOLLOCWHNKTNY-UHFFFAOYSA-N 1 1 303.337 2.178 50 0 DEAAMO Cc1ccc(C[N@H+](CC(=O)NC[C@H]2CCCO2)C2CC2)cc1 ZINC000028979266 401854037 /nfs/dbraw/zinc/85/40/37/401854037.db2.gz HHOSABARJQNQMZ-QGZVFWFLSA-N 1 1 302.418 2.255 50 0 DEAAMO Cc1ccc(C[N@@H+](CC(=O)NC[C@H]2CCCO2)C2CC2)cc1 ZINC000028979266 401854039 /nfs/dbraw/zinc/85/40/39/401854039.db2.gz HHOSABARJQNQMZ-QGZVFWFLSA-N 1 1 302.418 2.255 50 0 DEAAMO CCNC(=O)CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000029668946 401858111 /nfs/dbraw/zinc/85/81/11/401858111.db2.gz BZZLAWKCRLQIRI-UHFFFAOYSA-N 1 1 317.477 2.238 50 0 DEAAMO CCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1OC ZINC000030514889 401863442 /nfs/dbraw/zinc/86/34/42/401863442.db2.gz BJNHORQKXVXTTE-KRWDZBQOSA-N 1 1 314.385 2.410 50 0 DEAAMO CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1OC 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CCc1c[nH+]c(N)nc1NCc1ccc(OCCOC)cc1 ZINC000095359167 402028000 /nfs/dbraw/zinc/02/80/00/402028000.db2.gz JFATUJDCWDMYPB-UHFFFAOYSA-N 1 1 302.378 2.259 50 0 DEAAMO Cc1ccc([C@@H](C(=O)NCCc2cscn2)[NH+](C)C)cc1 ZINC000095358383 402028029 /nfs/dbraw/zinc/02/80/29/402028029.db2.gz JUVXRBZTYNDCJP-HNNXBMFYSA-N 1 1 303.431 2.413 50 0 DEAAMO CCc1c[nH+]c(N)nc1NCCc1noc(-c2ccccc2)n1 ZINC000095379136 402030513 /nfs/dbraw/zinc/03/05/13/402030513.db2.gz FHPYJFZAJKMZPW-UHFFFAOYSA-N 1 1 310.361 2.326 50 0 DEAAMO Cc1[nH+]ccn1CCCNC(=O)[C@H](c1ccc(F)cc1)N(C)C ZINC000095386680 402031265 /nfs/dbraw/zinc/03/12/65/402031265.db2.gz GMQNKKMSYJOLLV-INIZCTEOSA-N 1 1 318.396 2.140 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-n2cccc2)n1 ZINC000095476688 402033836 /nfs/dbraw/zinc/03/38/36/402033836.db2.gz CPZCCNNSUMLHMO-CQSZACIVSA-N 1 1 318.446 2.077 50 0 DEAAMO CCN1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000095961381 402037293 /nfs/dbraw/zinc/03/72/93/402037293.db2.gz BOWJXROLOFFCNV-HNNXBMFYSA-N 1 1 311.470 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BHQSTTVRELSHLA-HNNXBMFYSA-N 1 1 300.362 2.117 50 0 DEAAMO C[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cccs1 ZINC000052659387 402044986 /nfs/dbraw/zinc/04/49/86/402044986.db2.gz GJKIRLKGKJNFTC-UHFFFAOYSA-N 1 1 323.443 2.267 50 0 DEAAMO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cccs1 ZINC000052659387 402044988 /nfs/dbraw/zinc/04/49/88/402044988.db2.gz GJKIRLKGKJNFTC-UHFFFAOYSA-N 1 1 323.443 2.267 50 0 DEAAMO Cc1c(NC(=O)N2CCC[N@@H+](C)CC2)cnn1CCC(C)C ZINC000096000107 402045301 /nfs/dbraw/zinc/04/53/01/402045301.db2.gz FQGZYAFQULJMLQ-UHFFFAOYSA-N 1 1 307.442 2.407 50 0 DEAAMO N[C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@@H]1C1CC1 ZINC000092096698 402001568 /nfs/dbraw/zinc/00/15/68/402001568.db2.gz RIRYEKNSSZFXQW-WBVHZDCISA-N 1 1 303.425 2.464 50 0 DEAAMO N[C@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)C[C@@H]1C1CC1 ZINC000092096698 402001573 /nfs/dbraw/zinc/00/15/73/402001573.db2.gz RIRYEKNSSZFXQW-WBVHZDCISA-N 1 1 303.425 2.464 50 0 DEAAMO [NH3+][C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@@H]1C1CC1 ZINC000092096698 402001575 /nfs/dbraw/zinc/00/15/75/402001575.db2.gz RIRYEKNSSZFXQW-WBVHZDCISA-N 1 1 303.425 2.464 50 0 DEAAMO CSC[C@@H](C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000096408199 402078729 /nfs/dbraw/zinc/07/87/29/402078729.db2.gz YQOYZUANYGIDOE-GFCCVEGCSA-N 1 1 307.463 2.474 50 0 DEAAMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(CCOC)no2)C12CCCC2 ZINC000096419727 402081954 /nfs/dbraw/zinc/08/19/54/402081954.db2.gz AZZRDWYLBVSTJA-UONOGXRCSA-N 1 1 323.437 2.428 50 0 DEAAMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(CCOC)no2)C12CCCC2 ZINC000096419727 402081956 /nfs/dbraw/zinc/08/19/56/402081956.db2.gz AZZRDWYLBVSTJA-UONOGXRCSA-N 1 1 323.437 2.428 50 0 DEAAMO CC/C(=C/C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C)cc1 ZINC000096423700 402083130 /nfs/dbraw/zinc/08/31/30/402083130.db2.gz QTEXULQPKWLZIW-XSVZSIDJSA-N 1 1 315.461 2.150 50 0 DEAAMO O=C(C[N@@H+]1CCC[C@H]1CCCO)NC1(c2ccccc2)CCC1 ZINC000096424252 402083369 /nfs/dbraw/zinc/08/33/69/402083369.db2.gz FBOKSFODYIRDMA-KRWDZBQOSA-N 1 1 316.445 2.419 50 0 DEAAMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC000096447094 402089267 /nfs/dbraw/zinc/08/92/67/402089267.db2.gz AZDBPINFJWKUPF-RYUDHWBXSA-N 1 1 323.824 2.316 50 0 DEAAMO C[S@@](=O)c1ccc(C[NH2+][C@@H](CO)c2ccccc2F)cc1 ZINC000096461187 402091736 /nfs/dbraw/zinc/09/17/36/402091736.db2.gz IIIKKPDHJGJZJL-KKSFZXQISA-N 1 1 307.390 2.386 50 0 DEAAMO COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC000096461683 402092189 /nfs/dbraw/zinc/09/21/89/402092189.db2.gz UKUQJVXJELDXBR-LSDHHAIUSA-N 1 1 321.421 2.210 50 0 DEAAMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000096499614 402097140 /nfs/dbraw/zinc/09/71/40/402097140.db2.gz QHPXBZTTZCDKRB-QWHCGFSZSA-N 1 1 321.425 2.102 50 0 DEAAMO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000058018900 402098518 /nfs/dbraw/zinc/09/85/18/402098518.db2.gz GGKUDTDTGAUETD-HZSPNIEDSA-N 1 1 322.409 2.089 50 0 DEAAMO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000058018900 402098519 /nfs/dbraw/zinc/09/85/19/402098519.db2.gz GGKUDTDTGAUETD-HZSPNIEDSA-N 1 1 322.409 2.089 50 0 DEAAMO CC(C)c1cc(C(=O)N2CC[NH+](C(C)C)CC2)nc2ccnn21 ZINC000064760819 402121359 /nfs/dbraw/zinc/12/13/59/402121359.db2.gz QMBCHWVRACOPPV-UHFFFAOYSA-N 1 1 315.421 2.019 50 0 DEAAMO CC(C)Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(=O)[nH]1 ZINC000097045175 402101813 /nfs/dbraw/zinc/10/18/13/402101813.db2.gz BKTHABGTNZLDKY-BBRMVZONSA-N 1 1 319.449 2.128 50 0 DEAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000097082193 402104869 /nfs/dbraw/zinc/10/48/69/402104869.db2.gz QUGICRZCUIDFIP-GOSISDBHSA-N 1 1 316.445 2.450 50 0 DEAAMO CCCCOc1ccccc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000097095400 402106715 /nfs/dbraw/zinc/10/67/15/402106715.db2.gz NQMROQVZDYERKD-UHFFFAOYSA-N 1 1 305.422 2.452 50 0 DEAAMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1 ZINC000097109635 402108516 /nfs/dbraw/zinc/10/85/16/402108516.db2.gz KOMVZBMAGYHRJW-GZBFAFLISA-N 1 1 313.825 2.091 50 0 DEAAMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000097147440 402112116 /nfs/dbraw/zinc/11/21/16/402112116.db2.gz CWNIZHZRTXJNQG-OAHLLOKOSA-N 1 1 311.447 2.006 50 0 DEAAMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000097147440 402112120 /nfs/dbraw/zinc/11/21/20/402112120.db2.gz CWNIZHZRTXJNQG-OAHLLOKOSA-N 1 1 311.447 2.006 50 0 DEAAMO CC(C)N1CCC([NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000097159772 402112917 /nfs/dbraw/zinc/11/29/17/402112917.db2.gz QEJBYYSYWIHAHU-UHFFFAOYSA-N 1 1 313.449 2.445 50 0 DEAAMO c1csc(-c2noc(CCC[N@@H+]3CCn4ccnc4C3)n2)c1 ZINC000097201445 402116731 /nfs/dbraw/zinc/11/67/31/402116731.db2.gz PESRVQIUQBYHDF-UHFFFAOYSA-N 1 1 315.402 2.443 50 0 DEAAMO c1csc(-c2noc(CCC[N@H+]3CCn4ccnc4C3)n2)c1 ZINC000097201445 402116732 /nfs/dbraw/zinc/11/67/32/402116732.db2.gz PESRVQIUQBYHDF-UHFFFAOYSA-N 1 1 315.402 2.443 50 0 DEAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2cncnc2)CC3)cc1 ZINC000096140076 402061962 /nfs/dbraw/zinc/06/19/62/402061962.db2.gz UAYHXOPGCODRKX-UHFFFAOYSA-N 1 1 321.384 2.434 50 0 DEAAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2cncnc2)CC3)cc1 ZINC000096140076 402061966 /nfs/dbraw/zinc/06/19/66/402061966.db2.gz UAYHXOPGCODRKX-UHFFFAOYSA-N 1 1 321.384 2.434 50 0 DEAAMO Cc1nn(C)c2sc(C(=O)N3CC[NH+](CC(C)C)CC3)cc12 ZINC000054461733 402068180 /nfs/dbraw/zinc/06/81/80/402068180.db2.gz QCQPOAGWEPRKPE-UHFFFAOYSA-N 1 1 320.462 2.357 50 0 DEAAMO CCCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c(C)n1 ZINC000097604111 402128794 /nfs/dbraw/zinc/12/87/94/402128794.db2.gz FUCYUCRESYQAAE-QGZVFWFLSA-N 1 1 312.417 2.388 50 0 DEAAMO COCCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067357192 402157184 /nfs/dbraw/zinc/15/71/84/402157184.db2.gz DHAYVNONCJMVQU-UHFFFAOYSA-N 1 1 319.449 2.186 50 0 DEAAMO C[N@H+]1CCCC2(CCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000067934780 402179019 /nfs/dbraw/zinc/17/90/19/402179019.db2.gz NXCGQVJCVWSLGT-UHFFFAOYSA-N 1 1 301.434 2.349 50 0 DEAAMO O=C(NC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1)c1ccc[nH]1 ZINC000067947817 402179652 /nfs/dbraw/zinc/17/96/52/402179652.db2.gz SQLQWAZIRWVQGZ-CYBMUJFWSA-N 1 1 323.400 2.143 50 0 DEAAMO O=C(NC[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1)c1ccc[nH]1 ZINC000067947817 402179653 /nfs/dbraw/zinc/17/96/53/402179653.db2.gz SQLQWAZIRWVQGZ-CYBMUJFWSA-N 1 1 323.400 2.143 50 0 DEAAMO CCc1[nH]c(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000067974425 402181558 /nfs/dbraw/zinc/18/15/58/402181558.db2.gz HEKJUJXJZSLGLE-MRXNPFEDSA-N 1 1 316.380 2.093 50 0 DEAAMO CC(C)=CC(=O)NC[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000067974936 402181760 /nfs/dbraw/zinc/18/17/60/402181760.db2.gz WSQRONDAFQDINW-ZDUSSCGKSA-N 1 1 324.856 2.286 50 0 DEAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1[nH]ncc1Cl ZINC000067446842 402159665 /nfs/dbraw/zinc/15/96/65/402159665.db2.gz YUIDDCAYXVVVKK-NSHDSACASA-N 1 1 322.796 2.298 50 0 DEAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1n[nH]cc1Cl ZINC000067446842 402159668 /nfs/dbraw/zinc/15/96/68/402159668.db2.gz YUIDDCAYXVVVKK-NSHDSACASA-N 1 1 322.796 2.298 50 0 DEAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1n[nH]cc1Cl ZINC000067446842 402159671 /nfs/dbraw/zinc/15/96/71/402159671.db2.gz YUIDDCAYXVVVKK-NSHDSACASA-N 1 1 322.796 2.298 50 0 DEAAMO CCC(F)(F)C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000067674859 402167242 /nfs/dbraw/zinc/16/72/42/402167242.db2.gz WRLHZDXTLCYTQM-ZDUSSCGKSA-N 1 1 311.376 2.373 50 0 DEAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000102539045 402168226 /nfs/dbraw/zinc/16/82/26/402168226.db2.gz MRGMDLUNYUFVEB-INIZCTEOSA-N 1 1 316.445 2.360 50 0 DEAAMO Cc1nc(C(C)C)ncc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067713817 402170051 /nfs/dbraw/zinc/17/00/51/402170051.db2.gz OPBIPKJGXJQJIU-AWEZNQCLSA-N 1 1 304.438 2.369 50 0 DEAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+](C)C[C@H](O)CO ZINC000067726475 402170273 /nfs/dbraw/zinc/17/02/73/402170273.db2.gz KVRFXWDAETXUPL-ZDUSSCGKSA-N 1 1 310.781 2.088 50 0 DEAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](C)C[C@H](O)CO ZINC000067726475 402170275 /nfs/dbraw/zinc/17/02/75/402170275.db2.gz KVRFXWDAETXUPL-ZDUSSCGKSA-N 1 1 310.781 2.088 50 0 DEAAMO CSc1ccc2cc(C[N@H+]3CCC[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067754885 402171256 /nfs/dbraw/zinc/17/12/56/402171256.db2.gz CMLMRJCMMMGRBJ-LBPRGKRZSA-N 1 1 318.442 2.454 50 0 DEAAMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c2cnn(C(C)C)c2n1 ZINC000067742455 402171331 /nfs/dbraw/zinc/17/13/31/402171331.db2.gz BYIQIZQUCPHFRL-CYBMUJFWSA-N 1 1 315.421 2.002 50 0 DEAAMO CC(C)c1noc([C@@H](C)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000069351080 402219715 /nfs/dbraw/zinc/21/97/15/402219715.db2.gz SOSRZRLZADNLCQ-ZIAGYGMSSA-N 1 1 308.426 2.051 50 0 DEAAMO COCC[N@@H+](C)CCCNC(=O)Cc1ccccc1OC(C)C ZINC000069417441 402222507 /nfs/dbraw/zinc/22/25/07/402222507.db2.gz BFQHNBLZRQGGTJ-UHFFFAOYSA-N 1 1 322.449 2.101 50 0 DEAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000069490840 402226447 /nfs/dbraw/zinc/22/64/47/402226447.db2.gz CVHBREBOXANRNP-CVEARBPZSA-N 1 1 313.401 2.456 50 0 DEAAMO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 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CC[C@@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000071907800 401695377 /nfs/dbraw/zinc/69/53/77/401695377.db2.gz DBILRPAVIODIPR-HZPDHXFCSA-N 1 1 311.447 2.086 50 0 DEAAMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000071907798 401695543 /nfs/dbraw/zinc/69/55/43/401695543.db2.gz DBILRPAVIODIPR-JKSUJKDBSA-N 1 1 311.447 2.086 50 0 DEAAMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000071907798 401695548 /nfs/dbraw/zinc/69/55/48/401695548.db2.gz DBILRPAVIODIPR-JKSUJKDBSA-N 1 1 311.447 2.086 50 0 DEAAMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000071915625 401696864 /nfs/dbraw/zinc/69/68/64/401696864.db2.gz BUDBWLGBZCIJHW-QGZVFWFLSA-N 1 1 321.440 2.373 50 0 DEAAMO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000071915627 401696974 /nfs/dbraw/zinc/69/69/74/401696974.db2.gz WHWRQAVLLOSISM-GJZGRUSLSA-N 1 1 314.426 2.290 50 0 DEAAMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000071915627 401696976 /nfs/dbraw/zinc/69/69/76/401696976.db2.gz WHWRQAVLLOSISM-GJZGRUSLSA-N 1 1 314.426 2.290 50 0 DEAAMO CC[NH+]1CCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000072019970 401700907 /nfs/dbraw/zinc/70/09/07/401700907.db2.gz ONTXNAOVJUKUFK-HNNXBMFYSA-N 1 1 305.422 2.109 50 0 DEAAMO Cc1[nH+]ccn1Cc1c(Cl)c(=O)n(-c2ccccc2)n1C ZINC000013233608 401798354 /nfs/dbraw/zinc/79/83/54/401798354.db2.gz XFHIYXNMOOYASQ-UHFFFAOYSA-N 1 1 302.765 2.383 50 0 DEAAMO Cn1cc[nH+]c1N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000013668255 401802625 /nfs/dbraw/zinc/80/26/25/401802625.db2.gz MJIFZSKFYCLZEL-UHFFFAOYSA-N 1 1 304.438 2.429 50 0 DEAAMO CNC(=O)CC[N@@H+](C)[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000075140784 401751311 /nfs/dbraw/zinc/75/13/11/401751311.db2.gz NKZYAWZPUOHFHQ-ZDUSSCGKSA-N 1 1 318.339 2.461 50 0 DEAAMO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC000008707103 401754961 /nfs/dbraw/zinc/75/49/61/401754961.db2.gz MPWDCLBBUJMLTE-LBPRGKRZSA-N 1 1 321.396 2.414 50 0 DEAAMO 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COCCC[N@H+]1CCCN(C(=O)CCCC(F)(F)F)CC1 ZINC000095457703 185370299 /nfs/dbraw/zinc/37/02/99/185370299.db2.gz QDPNOQGARFYEFI-UHFFFAOYSA-N 1 1 310.360 2.290 50 0 DEAAMO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@H]1c1ccccc1 ZINC000248130534 530069469 /nfs/dbraw/zinc/06/94/69/530069469.db2.gz NBUQZNBBQWGJQO-BBWFWOEESA-N 1 1 302.418 2.053 50 0 DEAAMO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@H]1c1ccccc1 ZINC000248130534 530069470 /nfs/dbraw/zinc/06/94/70/530069470.db2.gz NBUQZNBBQWGJQO-BBWFWOEESA-N 1 1 302.418 2.053 50 0 DEAAMO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[S@](C)=O ZINC000170062532 539614009 /nfs/dbraw/zinc/61/40/09/539614009.db2.gz YKJKJNVLTQDINM-NKSTXHLWSA-N 1 1 300.512 2.386 50 0 DEAAMO C[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)[S@](C)=O ZINC000170062532 539614014 /nfs/dbraw/zinc/61/40/14/539614014.db2.gz YKJKJNVLTQDINM-NKSTXHLWSA-N 1 1 300.512 2.386 50 0 DEAAMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193857063 539715752 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CCCNC(=O)[C@H](C)[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000138737415 186018135 /nfs/dbraw/zinc/01/81/35/186018135.db2.gz IPSWKQHWTWSVHY-ZDUSSCGKSA-N 1 1 320.433 2.019 50 0 DEAAMO CCCn1ccnc1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072127375 191043361 /nfs/dbraw/zinc/04/33/61/191043361.db2.gz JDVFWJZOVNYCSG-CQSZACIVSA-N 1 1 315.421 2.477 50 0 DEAAMO CCCn1ccnc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072127375 191043363 /nfs/dbraw/zinc/04/33/63/191043363.db2.gz JDVFWJZOVNYCSG-CQSZACIVSA-N 1 1 315.421 2.477 50 0 DEAAMO C[N@@H+]1C[C@H]2CN(C(=O)c3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC000253392916 186303499 /nfs/dbraw/zinc/30/34/99/186303499.db2.gz IQQOCBLWZPEEQX-OKILXGFUSA-N 1 1 313.426 2.444 50 0 DEAAMO Cn1cc(CN2CCC[N@@H+](CCSC(C)(C)C)CC2)cn1 ZINC000253393904 186303787 /nfs/dbraw/zinc/30/37/87/186303787.db2.gz WMSRINGDSOHDQM-UHFFFAOYSA-N 1 1 310.511 2.460 50 0 DEAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCn1cccn1 ZINC000253408525 186308698 /nfs/dbraw/zinc/30/86/98/186308698.db2.gz KUPGUSGRPUNXBB-IAGOWNOFSA-N 1 1 318.465 2.386 50 0 biogenic DEAAMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1 ZINC000073192495 191290399 /nfs/dbraw/zinc/29/03/99/191290399.db2.gz CWUOSUULYQOUBW-KRWDZBQOSA-N 1 1 324.465 2.047 50 0 DEAAMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1 ZINC000073192495 191290401 /nfs/dbraw/zinc/29/04/01/191290401.db2.gz CWUOSUULYQOUBW-KRWDZBQOSA-N 1 1 324.465 2.047 50 0 DEAAMO CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 ZINC000072255110 354899203 /nfs/dbraw/zinc/89/92/03/354899203.db2.gz KREBRVUSFIZFIY-WBVHZDCISA-N 1 1 312.417 2.007 50 0 DEAAMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC000075681180 355101801 /nfs/dbraw/zinc/10/18/01/355101801.db2.gz YOXAJKJZYWDSNX-MAUKXSAKSA-N 1 1 316.445 2.327 50 0 DEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000004990208 181185714 /nfs/dbraw/zinc/18/57/14/181185714.db2.gz UYHHBIMZDYSKCQ-CYBMUJFWSA-N 1 1 323.389 2.185 50 0 DEAAMO c1n[nH]cc1CCC[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890764 355283272 /nfs/dbraw/zinc/28/32/72/355283272.db2.gz OGTOKWPCBXHZEN-CQSZACIVSA-N 1 1 301.394 2.482 50 0 DEAAMO Cc1cnc(CN(Cc2csc(C)n2)[C@H]2CC[N@H+](C)C2)o1 ZINC000089702340 355541495 /nfs/dbraw/zinc/54/14/95/355541495.db2.gz VZYOLOINKABRKQ-AWEZNQCLSA-N 1 1 306.435 2.454 50 0 DEAAMO C[NH+]1CCN(C[C@H]2CCCN(c3ncccc3Cl)C2)CC1 ZINC000088719155 355518012 /nfs/dbraw/zinc/51/80/12/355518012.db2.gz PKDCQOGLPBNZGD-CQSZACIVSA-N 1 1 308.857 2.199 50 0 DEAAMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000194874185 356245956 /nfs/dbraw/zinc/24/59/56/356245956.db2.gz KTPCWJRYPOCUJR-QGZVFWFLSA-N 1 1 307.438 2.448 50 0 DEAAMO OCc1cccc(-c2nc3c([nH]2)C[N@@H+]([C@H]2CCCOC2)CC3)c1 ZINC000230488655 356283914 /nfs/dbraw/zinc/28/39/14/356283914.db2.gz KPNORNDDDHSGMX-HNNXBMFYSA-N 1 1 313.401 2.106 50 0 DEAAMO OCc1cccc(-c2nc3c([nH]2)C[N@H+]([C@H]2CCCOC2)CC3)c1 ZINC000230488655 356283917 /nfs/dbraw/zinc/28/39/17/356283917.db2.gz KPNORNDDDHSGMX-HNNXBMFYSA-N 1 1 313.401 2.106 50 0 DEAAMO CC(C)C[NH+]1CCN(C(=O)c2cccc3c2CCC3=O)CC1 ZINC000584888031 357325818 /nfs/dbraw/zinc/32/58/18/357325818.db2.gz LXAHBJNAASJXQQ-UHFFFAOYSA-N 1 1 300.402 2.229 50 0 DEAAMO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000584889932 357327295 /nfs/dbraw/zinc/32/72/95/357327295.db2.gz LPGAPAQJGHZUHV-OAHLLOKOSA-N 1 1 315.421 2.013 50 0 DEAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000584894267 357328702 /nfs/dbraw/zinc/32/87/02/357328702.db2.gz VPMZQWGYDSDQDN-ZDUSSCGKSA-N 1 1 302.353 2.278 50 0 DEAAMO C[C@@H]1CN(C(=O)c2csc(C[NH3+])n2)[C@@H](c2ccccc2)CO1 ZINC000237639460 202314387 /nfs/dbraw/zinc/31/43/87/202314387.db2.gz ZVTYYXBQRAYWPH-BXUZGUMPSA-N 1 1 317.414 2.204 50 0 DEAAMO COc1cc(C)c(Br)cc1NC(=O)C[NH+](C)C ZINC000188865106 200314762 /nfs/dbraw/zinc/31/47/62/200314762.db2.gz LWFUSUUEDPSXPA-UHFFFAOYSA-N 1 1 301.184 2.266 50 0 DEAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCc3ccccc3C2)C(C)(C)CO1 ZINC000189150269 200356522 /nfs/dbraw/zinc/35/65/22/200356522.db2.gz KNPKRWIDSIOFFW-HNNXBMFYSA-N 1 1 316.445 2.461 50 0 DEAAMO Cc1nncn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000670443343 540934032 /nfs/dbraw/zinc/93/40/32/540934032.db2.gz NUELVEOVJJHIIS-OAHLLOKOSA-N 1 1 324.432 2.353 50 0 DEAAMO O=C(C1CCC1)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670467584 540937829 /nfs/dbraw/zinc/93/78/29/540937829.db2.gz GWWCJNWXFFCOCX-SFHVURJKSA-N 1 1 313.445 2.210 50 0 DEAAMO Cc1[nH+]ccn1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000193269307 201017035 /nfs/dbraw/zinc/01/70/35/201017035.db2.gz HXFAYZFKCKPYNZ-UHFFFAOYSA-N 1 1 301.268 2.376 50 0 DEAAMO CCn1cc(CN2CCC[N@@H+](C[C@@H]3CCC=CO3)CC2)cn1 ZINC000193909465 201143320 /nfs/dbraw/zinc/14/33/20/201143320.db2.gz AYYNRRJYWYXFBS-KRWDZBQOSA-N 1 1 304.438 2.103 50 0 DEAAMO C[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@]12CCNC(=O)CC2 ZINC000091547091 193071951 /nfs/dbraw/zinc/07/19/51/193071951.db2.gz NABUPSVXKJSTNY-KRWDZBQOSA-N 1 1 321.852 2.126 50 0 DEAAMO Cn1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)n1 ZINC000091574708 193074999 /nfs/dbraw/zinc/07/49/99/193074999.db2.gz UFURJAQHBLFFDS-IAGOWNOFSA-N 1 1 324.428 2.157 50 0 DEAAMO COC[C@]1(O)CC[N@@H+](Cc2ccc3nsnc3c2)CC1(C)C ZINC000091475456 193061534 /nfs/dbraw/zinc/06/15/34/193061534.db2.gz RWJPJKMQCTVHRF-MRXNPFEDSA-N 1 1 321.446 2.301 50 0 DEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1cccs1)C2 ZINC000091664075 193087036 /nfs/dbraw/zinc/08/70/36/193087036.db2.gz WSTNYZMQBRZDHX-HUUCEWRRSA-N 1 1 322.474 2.250 50 0 DEAAMO CCc1[nH+]ccn1CC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000091713916 193096444 /nfs/dbraw/zinc/09/64/44/193096444.db2.gz JAYVTLHAKJVYHN-UHFFFAOYSA-N 1 1 319.792 2.389 50 0 DEAAMO COCC(=O)N[C@H]1C[N@@H+](C/C(C)=C/c2ccco2)C[C@@H]1C1CC1 ZINC000091747109 193101231 /nfs/dbraw/zinc/10/12/31/193101231.db2.gz OVHWQXBGPREZAR-CYJKWWOWSA-N 1 1 318.417 2.156 50 0 DEAAMO CC(=O)c1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc1 ZINC000091808340 193110876 /nfs/dbraw/zinc/11/08/76/193110876.db2.gz AOMNAIYSRVJJJC-XJKSGUPXSA-N 1 1 301.390 2.447 50 0 DEAAMO C[N@H+](CCc1ccccc1)CCN1C[C@@]2(CCOC2)CCC1=O ZINC000091830339 193114485 /nfs/dbraw/zinc/11/44/85/193114485.db2.gz YCQLCHGMXJYUST-IBGZPJMESA-N 1 1 316.445 2.190 50 0 DEAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2cncs2)CC1 ZINC000278228856 214035754 /nfs/dbraw/zinc/03/57/54/214035754.db2.gz FKNZARSGQZWAIZ-UHFFFAOYSA-N 1 1 317.414 2.459 50 0 DEAAMO Cc1ccccc1OCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000015831452 182019658 /nfs/dbraw/zinc/01/96/58/182019658.db2.gz XFJBMOPWMSPPRP-AWEZNQCLSA-N 1 1 302.374 2.386 50 0 DEAAMO COc1ccccc1OCCOCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247397 182038617 /nfs/dbraw/zinc/03/86/17/182038617.db2.gz AQXSYOMDORHHCC-GASCZTMLSA-N 1 1 309.406 2.200 50 0 DEAAMO COc1ccccc1OCCOCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247397 182038621 /nfs/dbraw/zinc/03/86/21/182038621.db2.gz AQXSYOMDORHHCC-GASCZTMLSA-N 1 1 309.406 2.200 50 0 DEAAMO CCOc1ccc(CN2CC[N@@H+](CC3CC3)C[C@@H]2CCO)cc1 ZINC000019836186 182155076 /nfs/dbraw/zinc/15/50/76/182155076.db2.gz WVJVRIWVCPNCNN-SFHVURJKSA-N 1 1 318.461 2.364 50 0 DEAAMO CCOc1ccccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000019939611 182167877 /nfs/dbraw/zinc/16/78/77/182167877.db2.gz CNMBHJFVNCBAPN-UHFFFAOYSA-N 1 1 304.434 2.382 50 0 DEAAMO C[NH+](C)CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000020100478 182186648 /nfs/dbraw/zinc/18/66/48/182186648.db2.gz NNKXFYBZJHAALM-UHFFFAOYSA-N 1 1 321.440 2.106 50 0 DEAAMO C[N@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CCO ZINC000020209430 182197815 /nfs/dbraw/zinc/19/78/15/182197815.db2.gz RBRMKPCSKJBROQ-AWEZNQCLSA-N 1 1 302.340 2.204 50 0 DEAAMO Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH+]c1 ZINC000020223963 182198514 /nfs/dbraw/zinc/19/85/14/182198514.db2.gz QDZTWUCBEGLQEP-UHFFFAOYSA-N 1 1 323.322 2.404 50 0 DEAAMO CCCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020857403 182249294 /nfs/dbraw/zinc/24/92/94/182249294.db2.gz MZLLACQPYYMMHF-CJNGLKHVSA-N 1 1 309.479 2.341 50 0 DEAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)on1 ZINC000022911824 182340040 /nfs/dbraw/zinc/34/00/40/182340040.db2.gz NWXWCGBEZSESKC-LBPRGKRZSA-N 1 1 321.352 2.460 50 0 DEAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)on1 ZINC000022911824 182340043 /nfs/dbraw/zinc/34/00/43/182340043.db2.gz NWXWCGBEZSESKC-LBPRGKRZSA-N 1 1 321.352 2.460 50 0 DEAAMO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000040040770 183028654 /nfs/dbraw/zinc/02/86/54/183028654.db2.gz LFCRMAHFSRIQMN-ZDUSSCGKSA-N 1 1 318.417 2.067 50 0 DEAAMO CNc1snc(C)c1C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000040108840 183036940 /nfs/dbraw/zinc/03/69/40/183036940.db2.gz BBNOGNRRICNNQM-LLVKDONJSA-N 1 1 310.467 2.345 50 0 DEAAMO COc1ccccc1[C@@H](CNC(=O)c1scnc1C)[NH+](C)C ZINC000040533868 183094906 /nfs/dbraw/zinc/09/49/06/183094906.db2.gz CJWFHDWOJJEGDM-CYBMUJFWSA-N 1 1 319.430 2.493 50 0 DEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc[nH]c2=S)C[C@H](C)O1 ZINC000042041482 183230143 /nfs/dbraw/zinc/23/01/43/183230143.db2.gz DHUYDPLDWZZMPB-TXEJJXNPSA-N 1 1 323.462 2.362 50 0 DEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc[nH]c2=S)C[C@H](C)O1 ZINC000042041482 183230145 /nfs/dbraw/zinc/23/01/45/183230145.db2.gz DHUYDPLDWZZMPB-TXEJJXNPSA-N 1 1 323.462 2.362 50 0 DEAAMO O=C(NC[C@@H]1CCCO1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000042864147 183314994 /nfs/dbraw/zinc/31/49/94/183314994.db2.gz BVHQJMFFKFDDCJ-AWEZNQCLSA-N 1 1 323.462 2.144 50 0 DEAAMO C[NH+](C)[C@H](CNC(=O)Nc1nnc(C2CC2)s1)c1ccco1 ZINC000043360267 183357381 /nfs/dbraw/zinc/35/73/81/183357381.db2.gz JKOOGOAQOPGJJW-SNVBAGLBSA-N 1 1 321.406 2.433 50 0 DEAAMO C[N@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CCO ZINC000104346636 194001290 /nfs/dbraw/zinc/00/12/90/194001290.db2.gz RBRMKPCSKJBROQ-CQSZACIVSA-N 1 1 302.340 2.204 50 0 DEAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(NC(=O)C2CC2)c1 ZINC000057553149 184042048 /nfs/dbraw/zinc/04/20/48/184042048.db2.gz SKQAPZPWXQMKAV-HNNXBMFYSA-N 1 1 313.401 2.002 50 0 DEAAMO Cc1noc2ncc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cc12 ZINC000058393884 184112750 /nfs/dbraw/zinc/11/27/50/184112750.db2.gz FWVSZCJWYNZZSP-CYBMUJFWSA-N 1 1 316.405 2.381 50 0 DEAAMO COc1c(C)cnc(C[NH2+]Cc2c(C)nn(C)c2N(C)C)c1C ZINC000058427969 184117120 /nfs/dbraw/zinc/11/71/20/184117120.db2.gz MTHXQONTSMKCDQ-UHFFFAOYSA-N 1 1 317.437 2.105 50 0 DEAAMO O=C(c1ccsc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000065288840 184323420 /nfs/dbraw/zinc/32/34/20/184323420.db2.gz ZWKXAUYELJDIDH-HNNXBMFYSA-N 1 1 308.447 2.465 50 0 DEAAMO C[N@H+](CCC(=O)Nc1cccnc1)CC[C@@H](O)c1ccccc1 ZINC000065372246 184329732 /nfs/dbraw/zinc/32/97/32/184329732.db2.gz LUQHUPQTQQGESS-QGZVFWFLSA-N 1 1 313.401 2.466 50 0 DEAAMO COCC(=O)N1CCC[N@@H+](C/C(C)=C/c2ccccc2)CC1 ZINC000065382813 184332489 /nfs/dbraw/zinc/33/24/89/184332489.db2.gz OZFUOGWFAZTFOV-DTQAZKPQSA-N 1 1 302.418 2.271 50 0 DEAAMO Cc1c[nH+]c(NCC2CCN(C(=O)C(C)C)CC2)nc1N(C)C ZINC000065491886 184353586 /nfs/dbraw/zinc/35/35/86/184353586.db2.gz QRDGOKDQVMCSOI-UHFFFAOYSA-N 1 1 319.453 2.158 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000065548008 184364300 /nfs/dbraw/zinc/36/43/00/184364300.db2.gz TZYLGQLATOVATE-OAHLLOKOSA-N 1 1 314.389 2.259 50 0 DEAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000065623339 184374836 /nfs/dbraw/zinc/37/48/36/184374836.db2.gz OAWMCWGCNFDQOY-AWEZNQCLSA-N 1 1 315.417 2.174 50 0 DEAAMO O=C(CC[N@@H+]1CCCC[C@H]1CCO)N1CCc2ccccc21 ZINC000069249644 184505689 /nfs/dbraw/zinc/50/56/89/184505689.db2.gz QQDSIIRTOXYZRO-INIZCTEOSA-N 1 1 302.418 2.203 50 0 DEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000119932529 195064518 /nfs/dbraw/zinc/06/45/18/195064518.db2.gz DHCVZDLJPUDHJS-NXHRZFHOSA-N 1 1 316.445 2.440 50 0 DEAAMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000521396266 257240233 /nfs/dbraw/zinc/24/02/33/257240233.db2.gz FUQPCHIUHLIOHR-IRXDYDNUSA-N 1 1 302.418 2.405 50 0 DEAAMO CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000007074432 401736443 /nfs/dbraw/zinc/73/64/43/401736443.db2.gz GSTUKPQSFRDFNM-KRWDZBQOSA-N 1 1 301.390 2.143 50 0 DEAAMO Cc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1F ZINC000074390419 401737647 /nfs/dbraw/zinc/73/76/47/401737647.db2.gz QPMNMUDFXCSGHQ-UHFFFAOYSA-N 1 1 308.397 2.317 50 0 DEAAMO CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+](C)C ZINC000000117603 401688238 /nfs/dbraw/zinc/68/82/38/401688238.db2.gz YNPCPMLMJNSOTQ-UHFFFAOYSA-N 1 1 303.362 2.153 50 0 DEAAMO C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1nc(C2CC2)no1 ZINC000071859914 401688699 /nfs/dbraw/zinc/68/86/99/401688699.db2.gz DCHWHCGTEYWMPS-AAEUAGOBSA-N 1 1 314.393 2.057 50 0 DEAAMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000071864403 401688783 /nfs/dbraw/zinc/68/87/83/401688783.db2.gz BNDPVZPMOIWCMW-HUUCEWRRSA-N 1 1 315.417 2.229 50 0 DEAAMO O[C@@H](C[N@H+]1CCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000071875670 401690234 /nfs/dbraw/zinc/69/02/34/401690234.db2.gz PIRBFAVZGTWXPV-CJNGLKHVSA-N 1 1 307.344 2.359 50 0 DEAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2[C@H](C(N)=O)c2ccccc2)n1 ZINC000071876077 401690375 /nfs/dbraw/zinc/69/03/75/401690375.db2.gz NYCONMAAGPSQGH-SJORKVTESA-N 1 1 312.417 2.191 50 0 DEAAMO C[N@@H+](CCc1ccccc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000071897210 401694095 /nfs/dbraw/zinc/69/40/95/401694095.db2.gz DNMKWJFHDNMOIS-CYBMUJFWSA-N 1 1 318.314 2.463 50 0 DEAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC000072268845 401705042 /nfs/dbraw/zinc/70/50/42/401705042.db2.gz VEJAKVSKFSXGRP-CABCVRRESA-N 1 1 324.856 2.357 50 0 DEAAMO CC[C@H]1CN(CCOc2ccc(C)cc2)CC[N@H+]1C[C@@H](C)O ZINC000072279686 401705925 /nfs/dbraw/zinc/70/59/25/401705925.db2.gz APCWNYMKOGNEBH-SJORKVTESA-N 1 1 306.450 2.151 50 0 DEAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000014170036 401807942 /nfs/dbraw/zinc/80/79/42/401807942.db2.gz UYSNAKIXKQAHRJ-LBPRGKRZSA-N 1 1 303.362 2.451 50 0 DEAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000014170036 401807946 /nfs/dbraw/zinc/80/79/46/401807946.db2.gz UYSNAKIXKQAHRJ-LBPRGKRZSA-N 1 1 303.362 2.451 50 0 DEAAMO COc1cc(OC)cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000010328234 401769514 /nfs/dbraw/zinc/76/95/14/401769514.db2.gz 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401819140 /nfs/dbraw/zinc/81/91/40/401819140.db2.gz LCJRALXENDYGOP-CQSZACIVSA-N 1 1 321.421 2.170 50 0 DEAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019367713 401822134 /nfs/dbraw/zinc/82/21/34/401822134.db2.gz RWRZHMOUEJRKMT-BRSBDYLESA-N 1 1 312.498 2.072 50 0 DEAAMO O=C(/C=C/c1ccncc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029107304 401854507 /nfs/dbraw/zinc/85/45/07/401854507.db2.gz YCRXMJCHABWSQS-VOTSOKGWSA-N 1 1 307.397 2.439 50 0 DEAAMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1C ZINC000029898956 401859588 /nfs/dbraw/zinc/85/95/88/401859588.db2.gz ASRDWKHUFAHMKW-OAHLLOKOSA-N 1 1 316.405 2.279 50 0 DEAAMO COc1ccccc1NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000031664019 401872730 /nfs/dbraw/zinc/87/27/30/401872730.db2.gz SLSVLNGFRPCVQJ-MELADBBJSA-N 1 1 321.421 2.314 50 0 DEAAMO COc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000031664019 401872733 /nfs/dbraw/zinc/87/27/33/401872733.db2.gz SLSVLNGFRPCVQJ-MELADBBJSA-N 1 1 321.421 2.314 50 0 DEAAMO Cc1[nH+]ccn1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000030697800 401865509 /nfs/dbraw/zinc/86/55/09/401865509.db2.gz QFNPWYVVLZYSQO-UHFFFAOYSA-N 1 1 312.373 2.347 50 0 DEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000032268110 401877538 /nfs/dbraw/zinc/87/75/38/401877538.db2.gz ANXYPIKYGSZGIP-OAHLLOKOSA-N 1 1 312.360 2.051 50 0 DEAAMO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCOc1ccccc1 ZINC000032739770 401882095 /nfs/dbraw/zinc/88/20/95/401882095.db2.gz HSFRMIAQIHIIIK-GOSISDBHSA-N 1 1 310.397 2.368 50 0 DEAAMO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCOc1ccccc1 ZINC000032739770 401882097 /nfs/dbraw/zinc/88/20/97/401882097.db2.gz HSFRMIAQIHIIIK-GOSISDBHSA-N 1 1 310.397 2.368 50 0 DEAAMO O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080907285 401892642 /nfs/dbraw/zinc/89/26/42/401892642.db2.gz RAXZSIMMLCLRIF-JZLODUJNSA-N 1 1 318.392 2.162 50 0 DEAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000034118316 401892691 /nfs/dbraw/zinc/89/26/91/401892691.db2.gz XRTJXPJQATUXQS-IUODEOHRSA-N 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CCn1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)n1 ZINC000065393512 184334786 /nfs/dbraw/zinc/33/47/86/184334786.db2.gz MBYLBFBDXJVEHT-DLBZAZTESA-N 1 1 303.381 2.393 50 0 DEAAMO CCn1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)n1 ZINC000065393512 184334788 /nfs/dbraw/zinc/33/47/88/184334788.db2.gz MBYLBFBDXJVEHT-DLBZAZTESA-N 1 1 303.381 2.393 50 0 DEAAMO CCN(CC)c1cc(CCC(=O)N2CC[NH+](CC)CC2)ccn1 ZINC000065269998 184320286 /nfs/dbraw/zinc/32/02/86/184320286.db2.gz JIZMLBVBZYJJOY-UHFFFAOYSA-N 1 1 318.465 2.025 50 0 DEAAMO CC[C@@H](O)Cn1cc(C2=CC[N@@H+](CCn3cccc3)CC2)cn1 ZINC000065426761 184342799 /nfs/dbraw/zinc/34/27/99/184342799.db2.gz NYSKJPSLNXNZBC-GOSISDBHSA-N 1 1 314.433 2.245 50 0 DEAAMO Cc1noc(C)c1CN(C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000065457652 184348117 /nfs/dbraw/zinc/34/81/17/184348117.db2.gz ZZWDHUWUQLSHQO-GFCCVEGCSA-N 1 1 308.426 2.307 50 0 DEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000065403059 184337442 /nfs/dbraw/zinc/33/74/42/184337442.db2.gz 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401751079 /nfs/dbraw/zinc/75/10/79/401751079.db2.gz OBTUXNCHJCBVDI-GOSISDBHSA-N 1 1 314.433 2.229 50 0 DEAAMO COc1c2c(cc3c1[C@@H](Cc1cc(C)[nH]n1)[N@@H+](C)CC3)OCO2 ZINC000008973477 401758180 /nfs/dbraw/zinc/75/81/80/401758180.db2.gz KIEVUGOFGKRRET-CYBMUJFWSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO COc1c2c(cc3c1[C@@H](Cc1cc(C)n[nH]1)[N@H+](C)CC3)OCO2 ZINC000008973477 401758183 /nfs/dbraw/zinc/75/81/83/401758183.db2.gz KIEVUGOFGKRRET-CYBMUJFWSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO COc1c2c(cc3c1[C@@H](Cc1cc(C)n[nH]1)[N@@H+](C)CC3)OCO2 ZINC000008973477 401758186 /nfs/dbraw/zinc/75/81/86/401758186.db2.gz KIEVUGOFGKRRET-CYBMUJFWSA-N 1 1 315.373 2.227 50 0 biogenic DEAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(C)c(C)s2)CC1 ZINC000075572752 401762921 /nfs/dbraw/zinc/76/29/21/401762921.db2.gz FYCIRYOQICQFTQ-ZDUSSCGKSA-N 1 1 323.506 2.368 50 0 DEAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](C(C)C)C3)CCC2=O)cn1 ZINC000077302456 401809745 /nfs/dbraw/zinc/80/97/45/401809745.db2.gz SDXWSBJYXZBBPH-GOSISDBHSA-N 1 1 316.449 2.398 50 0 DEAAMO c1ccc(C[N@H+]2CCC[C@@H](Nc3ncnc4c3CCC4)C2)nc1 ZINC000075876986 401772221 /nfs/dbraw/zinc/77/22/21/401772221.db2.gz LQYYHTTTXSBWLW-OAHLLOKOSA-N 1 1 309.417 2.437 50 0 DEAAMO C[N@H+](CC(=O)N1CCCCCC1)[C@H](CCO)c1ccccc1 ZINC000075899623 401772863 /nfs/dbraw/zinc/77/28/63/401772863.db2.gz KXAUVMFFASLFFR-QGZVFWFLSA-N 1 1 304.434 2.445 50 0 DEAAMO C[N@@H+](CC(=O)N1CCCCCC1)[C@H](CCO)c1ccccc1 ZINC000075899623 401772866 /nfs/dbraw/zinc/77/28/66/401772866.db2.gz KXAUVMFFASLFFR-QGZVFWFLSA-N 1 1 304.434 2.445 50 0 DEAAMO CCO[C@H]1C[C@H]([N@H+](C)CCS(C)(=O)=O)C12CCCCC2 ZINC000076040437 401778532 /nfs/dbraw/zinc/77/85/32/401778532.db2.gz XRHKXCBTDLPLIB-KBPBESRZSA-N 1 1 303.468 2.091 50 0 DEAAMO CCO[C@H]1C[C@H]([N@@H+](C)CCS(C)(=O)=O)C12CCCCC2 ZINC000076040437 401778533 /nfs/dbraw/zinc/77/85/33/401778533.db2.gz XRHKXCBTDLPLIB-KBPBESRZSA-N 1 1 303.468 2.091 50 0 DEAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](CC(C)C)C2)nn1 ZINC000012036482 401778619 /nfs/dbraw/zinc/77/86/19/401778619.db2.gz MLRRRZSZJOSCFQ-AWEZNQCLSA-N 1 1 307.442 2.053 50 0 DEAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070244 401780447 /nfs/dbraw/zinc/78/04/47/401780447.db2.gz DPZXGNHMFPOOJI-CHWSQXEVSA-N 1 1 310.467 2.273 50 0 DEAAMO O=c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)occ1O ZINC000076089872 401781923 /nfs/dbraw/zinc/78/19/23/401781923.db2.gz WGSNSQMAENBEJV-GDBMZVCRSA-N 1 1 315.369 2.434 50 0 DEAAMO O[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012386249 401784454 /nfs/dbraw/zinc/78/44/54/401784454.db2.gz DAFNTWQWFJFNLL-LLVKDONJSA-N 1 1 313.279 2.322 50 0 DEAAMO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012386249 401784457 /nfs/dbraw/zinc/78/44/57/401784457.db2.gz DAFNTWQWFJFNLL-LLVKDONJSA-N 1 1 313.279 2.322 50 0 DEAAMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000013148893 401796936 /nfs/dbraw/zinc/79/69/36/401796936.db2.gz DZEIYOXEWBWDRQ-SJORKVTESA-N 1 1 321.461 2.489 50 0 DEAAMO Cc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000021064902 401825717 /nfs/dbraw/zinc/82/57/17/401825717.db2.gz UFNQYNWXWFUFNZ-OKILXGFUSA-N 1 1 305.422 2.008 50 0 DEAAMO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000021064902 401825719 /nfs/dbraw/zinc/82/57/19/401825719.db2.gz UFNQYNWXWFUFNZ-OKILXGFUSA-N 1 1 305.422 2.008 50 0 DEAAMO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC000024054884 401828936 /nfs/dbraw/zinc/82/89/36/401828936.db2.gz WQBZMRBHDCJZTC-UHFFFAOYSA-N 1 1 312.417 2.424 50 0 DEAAMO C[N@H+](CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000025452926 401834157 /nfs/dbraw/zinc/83/41/57/401834157.db2.gz CNSPRXAGBRZSPI-HNNXBMFYSA-N 1 1 313.401 2.428 50 0 DEAAMO C[N@@H+](CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000025452926 401834159 /nfs/dbraw/zinc/83/41/59/401834159.db2.gz CNSPRXAGBRZSPI-HNNXBMFYSA-N 1 1 313.401 2.428 50 0 DEAAMO Cc1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1 ZINC000028077950 401849997 /nfs/dbraw/zinc/84/99/97/401849997.db2.gz RKTQJSOUBJWSES-UHFFFAOYSA-N 1 1 315.373 2.384 50 0 DEAAMO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000028227262 401850624 /nfs/dbraw/zinc/85/06/24/401850624.db2.gz LXWOHAVBJQWQIX-UHFFFAOYSA-N 1 1 316.424 2.494 50 0 DEAAMO CC[N@@H+]1CCc2nc(NC(=O)CCc3ccccn3)sc2C1 ZINC000078714448 401863128 /nfs/dbraw/zinc/86/31/28/401863128.db2.gz SWPJDUNWBGBDKC-UHFFFAOYSA-N 1 1 316.430 2.487 50 0 DEAAMO CC[N@H+]1CCc2nc(NC(=O)CCc3ccccn3)sc2C1 ZINC000078714448 401863130 /nfs/dbraw/zinc/86/31/30/401863130.db2.gz SWPJDUNWBGBDKC-UHFFFAOYSA-N 1 1 316.430 2.487 50 0 DEAAMO Cc1noc2ncnc(N3CCC[C@@H](Cn4cc[nH+]c4C)C3)c12 ZINC000077420215 401814489 /nfs/dbraw/zinc/81/44/89/401814489.db2.gz IUAWPMCYRHJWOO-ZDUSSCGKSA-N 1 1 312.377 2.348 50 0 DEAAMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000015062290 401815193 /nfs/dbraw/zinc/81/51/93/401815193.db2.gz SHJMPVGPSBTTPT-AWEZNQCLSA-N 1 1 316.380 2.252 50 0 DEAAMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000015062290 401815195 /nfs/dbraw/zinc/81/51/95/401815195.db2.gz SHJMPVGPSBTTPT-AWEZNQCLSA-N 1 1 316.380 2.252 50 0 DEAAMO C[C@H](Cn1ccnc1-c1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000077422000 401815431 /nfs/dbraw/zinc/81/54/31/401815431.db2.gz PQSDCWNGSUBECH-CYBMUJFWSA-N 1 1 320.387 2.464 50 0 DEAAMO CCC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077454587 401815892 /nfs/dbraw/zinc/81/58/92/401815892.db2.gz ORBRBCUVMJEKDF-GOSISDBHSA-N 1 1 316.449 2.400 50 0 DEAAMO COc1cccc2ncn(CC[C@@H]3CCCC[N@H+]3C)c(=O)c21 ZINC000032533045 401879559 /nfs/dbraw/zinc/87/95/59/401879559.db2.gz QMHGFUZZWVXUCL-ZDUSSCGKSA-N 1 1 301.390 2.280 50 0 DEAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000032652162 401880782 /nfs/dbraw/zinc/88/07/82/401880782.db2.gz QXGFQTVBFXCOPR-GFCCVEGCSA-N 1 1 302.296 2.101 50 0 DEAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000032652162 401880784 /nfs/dbraw/zinc/88/07/84/401880784.db2.gz QXGFQTVBFXCOPR-GFCCVEGCSA-N 1 1 302.296 2.101 50 0 DEAAMO CN(Cc1ccco1)CC1(C[N@@H+](C)Cc2ccco2)COC1 ZINC000083865638 401901505 /nfs/dbraw/zinc/90/15/05/401901505.db2.gz JIBQTJORPJWHKJ-UHFFFAOYSA-N 1 1 304.390 2.453 50 0 DEAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](O)C1)c1cccc2ccccc21 ZINC000036386137 401905163 /nfs/dbraw/zinc/90/51/63/401905163.db2.gz FCBAHTIAGKLTMJ-ZBFHGGJFSA-N 1 1 312.413 2.474 50 0 DEAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](O)C1)c1cccc2ccccc21 ZINC000036386137 401905164 /nfs/dbraw/zinc/90/51/64/401905164.db2.gz FCBAHTIAGKLTMJ-ZBFHGGJFSA-N 1 1 312.413 2.474 50 0 DEAAMO Cc1ccc(C)c(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)c1 ZINC000036648852 401906456 /nfs/dbraw/zinc/90/64/56/401906456.db2.gz LQHKTXSSOCDZMI-LZWOXQAQSA-N 1 1 315.417 2.031 50 0 DEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc2[nH]cnc2c1 ZINC000045076651 401954532 /nfs/dbraw/zinc/95/45/32/401954532.db2.gz KDLUOTOCFAJABI-UHFFFAOYSA-N 1 1 320.396 2.351 50 0 DEAAMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)C)C2)cc(OC)c1 ZINC000089621287 401954816 /nfs/dbraw/zinc/95/48/16/401954816.db2.gz 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ZINC000089922474 401973723 /nfs/dbraw/zinc/97/37/23/401973723.db2.gz XTSGQSZBJUWYNP-ZDUSSCGKSA-N 1 1 313.405 2.002 50 0 DEAAMO COc1ccccc1-c1c[nH]cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089938328 401975098 /nfs/dbraw/zinc/97/50/98/401975098.db2.gz VXAWGMKMSVCNLG-CYBMUJFWSA-N 1 1 313.401 2.466 50 0 DEAAMO COc1ccccc1-c1c[nH]cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089938328 401975100 /nfs/dbraw/zinc/97/51/00/401975100.db2.gz VXAWGMKMSVCNLG-CYBMUJFWSA-N 1 1 313.401 2.466 50 0 DEAAMO Cc1nc(CCNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cs1 ZINC000047793024 401988751 /nfs/dbraw/zinc/98/87/51/401988751.db2.gz PLKUJUJRACFBNH-CYBMUJFWSA-N 1 1 322.434 2.189 50 0 DEAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000091270592 401995557 /nfs/dbraw/zinc/99/55/57/401995557.db2.gz IBQRSXNVJWXOPX-UHFFFAOYSA-N 1 1 321.384 2.000 50 0 DEAAMO CC(C)c1ncc(Cl)c(C(=O)N2CC[NH+](C(C)C)CC2)n1 ZINC000050121281 402025365 /nfs/dbraw/zinc/02/53/65/402025365.db2.gz WZTYKLGCUAUHKP-UHFFFAOYSA-N 1 1 310.829 2.420 50 0 DEAAMO Cc1ccc(N2CCC[C@@H](Nc3[nH+]cnc4[nH]ccc43)C2)nn1 ZINC000095351516 402026326 /nfs/dbraw/zinc/02/63/26/402026326.db2.gz TXVFPEAAGHNXQS-GFCCVEGCSA-N 1 1 309.377 2.137 50 0 DEAAMO O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095361234 402027678 /nfs/dbraw/zinc/02/76/78/402027678.db2.gz KHLSADQUPOVURM-MRXNPFEDSA-N 1 1 313.401 2.246 50 0 DEAAMO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095366555 402028728 /nfs/dbraw/zinc/02/87/28/402028728.db2.gz XJBFQIYLWCZSGC-DLBZAZTESA-N 1 1 302.418 2.146 50 0 DEAAMO CCCCSc1nc(N)cc(NCCC(=O)N2CCCC2)[nH+]1 ZINC000095370012 402029076 /nfs/dbraw/zinc/02/90/76/402029076.db2.gz JJAQVRQJIVQYPK-UHFFFAOYSA-N 1 1 323.466 2.375 50 0 DEAAMO O=C(NCCc1cnc[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095383564 402031243 /nfs/dbraw/zinc/03/12/43/402031243.db2.gz RSBSGPCRSVOTGD-UHFFFAOYSA-N 1 1 304.438 2.113 50 0 DEAAMO C[N@@H+](C[C@H]1CCOc2ccccc2C1)CC1(CO)CCOCC1 ZINC000095504059 402033609 /nfs/dbraw/zinc/03/36/09/402033609.db2.gz RFOBDCUJAMKNCO-INIZCTEOSA-N 1 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Cc1nnc(C[N@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000670462185 540937784 /nfs/dbraw/zinc/93/77/84/540937784.db2.gz RSLPHHLFOPHNKF-MRXNPFEDSA-N 1 1 314.414 2.332 50 0 DEAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000194081424 201175449 /nfs/dbraw/zinc/17/54/49/201175449.db2.gz ANTMRBXSTRVSRI-QGZVFWFLSA-N 1 1 306.450 2.375 50 0 DEAAMO CCCc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CCC)C1 ZINC000091289392 193031391 /nfs/dbraw/zinc/03/13/91/193031391.db2.gz UHOABBIRGOPKOW-CHWSQXEVSA-N 1 1 322.478 2.437 50 0 DEAAMO CN(CC(=O)c1ccc(O)cc1)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000091906723 193124634 /nfs/dbraw/zinc/12/46/34/193124634.db2.gz WKRRCVFTWKXGCY-AWEZNQCLSA-N 1 1 318.417 2.155 50 0 DEAAMO C/C=C(\C)C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091997902 193139939 /nfs/dbraw/zinc/13/99/39/193139939.db2.gz XJSZUMTZWIQPGE-LZWSPWQCSA-N 1 1 316.449 2.471 50 0 DEAAMO C[C@H](CCc1ncnn1CCc1ccccc1)[NH+]1CCOCC1 ZINC000092081069 193155398 /nfs/dbraw/zinc/15/53/98/193155398.db2.gz GTTZEXKQRLTCTI-MRXNPFEDSA-N 1 1 314.433 2.174 50 0 DEAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCOc2ccccc21 ZINC000043166050 284060833 /nfs/dbraw/zinc/06/08/33/284060833.db2.gz RJZBYQMCWDKPTP-BZUAXINKSA-N 1 1 315.417 2.436 50 0 DEAAMO C[N@@H+](C1Cc2ccccc2C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264681460 204075960 /nfs/dbraw/zinc/07/59/60/204075960.db2.gz CWMCLRWNSREKHW-CQSZACIVSA-N 1 1 312.335 2.249 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047158 182031147 /nfs/dbraw/zinc/03/11/47/182031147.db2.gz DZURKTXEXKVOIH-LBPRGKRZSA-N 1 1 323.364 2.467 50 0 DEAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047158 182031149 /nfs/dbraw/zinc/03/11/49/182031149.db2.gz DZURKTXEXKVOIH-LBPRGKRZSA-N 1 1 323.364 2.467 50 0 DEAAMO CCN1CC[NH+](C[C@@H](O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000019790762 182148959 /nfs/dbraw/zinc/14/89/59/182148959.db2.gz HPOYUWITWNOUEZ-QGZVFWFLSA-N 1 1 320.477 2.496 50 0 DEAAMO CCn1c2ccccc2c2cc(C[NH2+]CCNCCO)ccc21 ZINC000019872284 182159308 /nfs/dbraw/zinc/15/93/08/182159308.db2.gz NKMGIBZOAOEJGC-UHFFFAOYSA-N 1 1 311.429 2.486 50 0 DEAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000020386128 182213732 /nfs/dbraw/zinc/21/37/32/182213732.db2.gz SOCMLQSMPFUXCL-HIFRSBDPSA-N 1 1 316.401 2.043 50 0 DEAAMO C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000020472298 182221530 /nfs/dbraw/zinc/22/15/30/182221530.db2.gz LMTLDOHYZWHWKI-UHFFFAOYSA-N 1 1 302.205 2.179 50 0 DEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000020435802 182217245 /nfs/dbraw/zinc/21/72/45/182217245.db2.gz UUMRJPVPNPFXMH-UHFFFAOYSA-N 1 1 317.216 2.446 50 0 DEAAMO CCC[N@@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000020807319 182247885 /nfs/dbraw/zinc/24/78/85/182247885.db2.gz SIJCBYFSGSIBLU-INIZCTEOSA-N 1 1 316.401 2.449 50 0 DEAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)c(OC)c1OC ZINC000022587927 182327344 /nfs/dbraw/zinc/32/73/44/182327344.db2.gz CQEKBAGFAXPWRM-UKRRQHHQSA-N 1 1 320.433 2.381 50 0 DEAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+](CCO)CCO 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C[C@H](C1CC1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106098133 194185543 /nfs/dbraw/zinc/18/55/43/194185543.db2.gz SARIVWSUMBTOAW-HZSPNIEDSA-N 1 1 311.470 2.314 50 0 DEAAMO C[C@H](C1CC1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106098133 194185544 /nfs/dbraw/zinc/18/55/44/194185544.db2.gz SARIVWSUMBTOAW-HZSPNIEDSA-N 1 1 311.470 2.314 50 0 DEAAMO CN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000106535231 194226566 /nfs/dbraw/zinc/22/65/66/194226566.db2.gz RWDHNBWOWYEVCT-DLBZAZTESA-N 1 1 317.433 2.081 50 0 DEAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000110646551 194346270 /nfs/dbraw/zinc/34/62/70/194346270.db2.gz GFXDCBVUZZIACZ-ZIAGYGMSSA-N 1 1 303.431 2.410 50 0 DEAAMO CCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058170939 184083707 /nfs/dbraw/zinc/08/37/07/184083707.db2.gz ODCWEPMRFQSLPL-CYBMUJFWSA-N 1 1 304.390 2.289 50 0 DEAAMO C[C@H](c1ccccc1Cl)[N@@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000058367352 184109254 /nfs/dbraw/zinc/10/92/54/184109254.db2.gz FPNSFXNTGGRGGS-SNVBAGLBSA-N 1 1 309.797 2.450 50 0 DEAAMO Cc1nn(C)c(N(C)C)c1CNCc1ccc(C[NH+](C)C)cc1 ZINC000058407406 184114220 /nfs/dbraw/zinc/11/42/20/184114220.db2.gz WDVSIQUOCLJDPJ-UHFFFAOYSA-N 1 1 315.465 2.146 50 0 DEAAMO OCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000062360701 184233256 /nfs/dbraw/zinc/23/32/56/184233256.db2.gz JAJGVTQDKVCQLH-QGZVFWFLSA-N 1 1 307.340 2.493 50 0 DEAAMO COc1c(C[NH2+]Cc2ccccc2CO)c(C(C)C)nn1C ZINC000065478116 184352478 /nfs/dbraw/zinc/35/24/78/184352478.db2.gz MGYRGIUJMXJPCZ-UHFFFAOYSA-N 1 1 303.406 2.334 50 0 DEAAMO Cc1ccccc1-n1cc(C2=CC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC000065536125 184362660 /nfs/dbraw/zinc/36/26/60/184362660.db2.gz HRBLFMZARDJOOJ-UHFFFAOYSA-N 1 1 324.428 2.358 50 0 DEAAMO Cc1ccccc1-n1cc(C2=CC[N@@H+](CC(=O)N(C)C)CC2)cn1 ZINC000065536125 184362662 /nfs/dbraw/zinc/36/26/62/184362662.db2.gz HRBLFMZARDJOOJ-UHFFFAOYSA-N 1 1 324.428 2.358 50 0 DEAAMO 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/nfs/dbraw/zinc/36/33/05/539363305.db2.gz IPYFJUBBKPDOJZ-UHFFFAOYSA-N 1 1 310.438 2.053 50 0 DEAAMO CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000083721633 539390885 /nfs/dbraw/zinc/39/08/85/539390885.db2.gz VIZKXQUTBQXRLX-HOTGVXAUSA-N 1 1 311.470 2.175 50 0 DEAAMO CC(C)[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000084597489 539396192 /nfs/dbraw/zinc/39/61/92/539396192.db2.gz KADANQGNGMSPQE-OAHLLOKOSA-N 1 1 311.470 2.412 50 0 DEAAMO CCC12CN3CC(CC)(C[NH+](C1)C3[C@H]1CCOC(C)(C)C1)C2O ZINC000019331462 282531072 /nfs/dbraw/zinc/53/10/72/282531072.db2.gz CJWKUPIDTJTICU-PYVPHKGKSA-N 1 1 322.493 2.316 50 0 biogenic DEAAMO CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCC[N@H+]1CC1CC1 ZINC000071751476 191022852 /nfs/dbraw/zinc/02/28/52/191022852.db2.gz JJEXLBZQKHHPON-INIZCTEOSA-N 1 1 302.422 2.059 50 0 DEAAMO CC(C)c1[nH+]ccn1CCC(=O)NC[C@@](C)(O)c1ccco1 ZINC000084631247 192447698 /nfs/dbraw/zinc/44/76/98/192447698.db2.gz RAEXXSKLOWKKEL-MRXNPFEDSA-N 1 1 305.378 2.014 50 0 DEAAMO COC(=O)CCn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000072151220 191056150 /nfs/dbraw/zinc/05/61/50/191056150.db2.gz AKJJCGFBNCQYDQ-INIZCTEOSA-N 1 1 314.389 2.178 50 0 DEAAMO COC(=O)CCn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000072151220 191056151 /nfs/dbraw/zinc/05/61/51/191056151.db2.gz AKJJCGFBNCQYDQ-INIZCTEOSA-N 1 1 314.389 2.178 50 0 DEAAMO Cn1ccnc1-c1nccn1CC[N@@H+](C)CCc1ccccc1 ZINC000072161881 191062042 /nfs/dbraw/zinc/06/20/42/191062042.db2.gz MMRUAUOJUCTKDP-UHFFFAOYSA-N 1 1 309.417 2.458 50 0 DEAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)NCCc1ccsc1 ZINC000072270718 191094112 /nfs/dbraw/zinc/09/41/12/191094112.db2.gz DCMXURGKWVVSBC-CQSZACIVSA-N 1 1 318.446 2.010 50 0 DEAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)NCCc1ccsc1 ZINC000072270718 191094115 /nfs/dbraw/zinc/09/41/15/191094115.db2.gz DCMXURGKWVVSBC-CQSZACIVSA-N 1 1 318.446 2.010 50 0 DEAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)NCCc1cccs1 ZINC000072270625 191094353 /nfs/dbraw/zinc/09/43/53/191094353.db2.gz FQRXTCCFXFSOPJ-CYBMUJFWSA-N 1 1 318.446 2.010 50 0 DEAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)NCCc1cccs1 ZINC000072270625 191094356 /nfs/dbraw/zinc/09/43/56/191094356.db2.gz FQRXTCCFXFSOPJ-CYBMUJFWSA-N 1 1 318.446 2.010 50 0 DEAAMO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270712 191093550 /nfs/dbraw/zinc/09/35/50/191093550.db2.gz WTTKOMRMUJINCJ-ZDUSSCGKSA-N 1 1 318.446 2.275 50 0 DEAAMO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270712 191093554 /nfs/dbraw/zinc/09/35/54/191093554.db2.gz WTTKOMRMUJINCJ-ZDUSSCGKSA-N 1 1 318.446 2.275 50 0 DEAAMO Cc1nnc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)o1 ZINC000072276602 191098229 /nfs/dbraw/zinc/09/82/29/191098229.db2.gz HIAKYKPIBJCTGH-WCQYABFASA-N 1 1 322.434 2.164 50 0 DEAAMO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000072430303 191163416 /nfs/dbraw/zinc/16/34/16/191163416.db2.gz VPYUWIJCTSIKKV-SNVBAGLBSA-N 1 1 318.343 2.375 50 0 DEAAMO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000072458052 191172634 /nfs/dbraw/zinc/17/26/34/191172634.db2.gz CNDOGILBRNYAQE-OAHLLOKOSA-N 1 1 303.406 2.424 50 0 DEAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)s1 ZINC000072268952 354899833 /nfs/dbraw/zinc/89/98/33/354899833.db2.gz QKDFSZLTQVIQIB-CABCVRRESA-N 1 1 308.447 2.036 50 0 DEAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1ccncc1F ZINC000618256980 363432583 /nfs/dbraw/zinc/43/25/83/363432583.db2.gz NNVHEUDXTUMAHI-GFCCVEGCSA-N 1 1 305.378 2.287 50 0 DEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccncc1F ZINC000618256980 363432589 /nfs/dbraw/zinc/43/25/89/363432589.db2.gz NNVHEUDXTUMAHI-GFCCVEGCSA-N 1 1 305.378 2.287 50 0 DEAAMO CC(=O)Nc1cccc2c1CC[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000076020918 355119682 /nfs/dbraw/zinc/11/96/82/355119682.db2.gz IJSQHTYHPLKSQT-INIZCTEOSA-N 1 1 318.417 2.199 50 0 DEAAMO CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076709440 355164350 /nfs/dbraw/zinc/16/43/50/355164350.db2.gz BUCLJZLZFVTLNG-OAHLLOKOSA-N 1 1 323.824 2.269 50 0 DEAAMO Cc1cccc(N2CCN(C(=O)CC3(O)CCCC3)[C@H](C)C2)[nH+]1 ZINC000073727000 191347524 /nfs/dbraw/zinc/34/75/24/191347524.db2.gz ISGCTVDNWBNPKT-OAHLLOKOSA-N 1 1 317.433 2.122 50 0 DEAAMO CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862225 191375297 /nfs/dbraw/zinc/37/52/97/191375297.db2.gz QQZUXNXRAZJYRC-KRWDZBQOSA-N 1 1 316.449 2.488 50 0 DEAAMO C[N@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101466 /nfs/dbraw/zinc/10/14/66/283101466.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 1 1 313.445 2.210 50 0 DEAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000084714509 355485416 /nfs/dbraw/zinc/48/54/16/355485416.db2.gz AFSPOYJAGZQRRW-YJBOKZPZSA-N 1 1 307.482 2.051 50 0 DEAAMO COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000093297909 355674677 /nfs/dbraw/zinc/67/46/77/355674677.db2.gz AVWATIYMJLEOGU-GJZGRUSLSA-N 1 1 318.417 2.124 50 0 DEAAMO C[N@@H+](CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1 ZINC000110698640 355745102 /nfs/dbraw/zinc/74/51/02/355745102.db2.gz YTCKKLZVFPMMKY-KBPBESRZSA-N 1 1 320.458 2.106 50 0 DEAAMO COC(C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1)OC ZINC000136759444 355869009 /nfs/dbraw/zinc/86/90/09/355869009.db2.gz SNYBWHMBFJUOQC-LBPRGKRZSA-N 1 1 314.376 2.262 50 0 DEAAMO COc1ccc(-c2cc(CNC(=O)C[NH+]3CCCC3)on2)cc1 ZINC000005527132 181254042 /nfs/dbraw/zinc/25/40/42/181254042.db2.gz YQMDDNMKBQBJII-UHFFFAOYSA-N 1 1 315.373 2.062 50 0 DEAAMO COCCN(C)c1ccc(C[N@@H+]2C[C@H](C)OCC2(C)C)cn1 ZINC000191495342 356219110 /nfs/dbraw/zinc/21/91/10/356219110.db2.gz JLZZJRCPWOOCIK-AWEZNQCLSA-N 1 1 307.438 2.164 50 0 DEAAMO COCCN(C)c1ccc(C[N@H+]2C[C@H](C)OCC2(C)C)cn1 ZINC000191495342 356219112 /nfs/dbraw/zinc/21/91/12/356219112.db2.gz JLZZJRCPWOOCIK-AWEZNQCLSA-N 1 1 307.438 2.164 50 0 DEAAMO CCOc1c(F)cccc1C(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000080303883 192022080 /nfs/dbraw/zinc/02/20/80/192022080.db2.gz VKHDVMHATFCLSK-CYBMUJFWSA-N 1 1 324.396 2.017 50 0 DEAAMO O=[S@](CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000229892140 356282965 /nfs/dbraw/zinc/28/29/65/356282965.db2.gz YZIVBMJFFSFBQQ-SPLOXXLWSA-N 1 1 303.431 2.397 50 0 DEAAMO O=[S@](CCN1CCC[C@@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000229892140 356282970 /nfs/dbraw/zinc/28/29/70/356282970.db2.gz YZIVBMJFFSFBQQ-SPLOXXLWSA-N 1 1 303.431 2.397 50 0 DEAAMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1OC(F)F ZINC000585086047 540255729 /nfs/dbraw/zinc/25/57/29/540255729.db2.gz BUFMDGXVWSKFKO-CYBMUJFWSA-N 1 1 312.360 2.383 50 0 DEAAMO CCOc1ccc(CN(C)C[C@H]2CCCC[N@H+]2C)cc1CO ZINC000584890217 357326718 /nfs/dbraw/zinc/32/67/18/357326718.db2.gz ODOCAXYUUSFNDU-QGZVFWFLSA-N 1 1 306.450 2.494 50 0 DEAAMO CCOc1ccc(C[N@H+](C)C[C@H]2CCCCN2C)cc1CO ZINC000584890217 357326719 /nfs/dbraw/zinc/32/67/19/357326719.db2.gz ODOCAXYUUSFNDU-QGZVFWFLSA-N 1 1 306.450 2.494 50 0 DEAAMO CCOc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C)cc1CO ZINC000584890217 357326721 /nfs/dbraw/zinc/32/67/21/357326721.db2.gz ODOCAXYUUSFNDU-QGZVFWFLSA-N 1 1 306.450 2.494 50 0 DEAAMO CCC[N@H+]1CCC[C@H](NC(=O)c2cccc3c2CCC3=O)C1 ZINC000584903307 357331377 /nfs/dbraw/zinc/33/13/77/357331377.db2.gz RMUKGIWYXZKQMG-ZDUSSCGKSA-N 1 1 300.402 2.420 50 0 DEAAMO Cc1[nH+]cn(CCNC(=O)N(C)CCC[C@@H]2CCCO2)c1C ZINC000584902643 357331592 /nfs/dbraw/zinc/33/15/92/357331592.db2.gz SJQIQEWIPSCLQM-OAHLLOKOSA-N 1 1 308.426 2.101 50 0 DEAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C)CC1 ZINC000063308601 283365912 /nfs/dbraw/zinc/36/59/12/283365912.db2.gz BQPPBOVWVQYVIZ-ZFWWWQNUSA-N 1 1 303.406 2.305 50 0 DEAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(Cl)c1 ZINC000006057851 181309452 /nfs/dbraw/zinc/30/94/52/181309452.db2.gz NHLPBNKUCAMFFZ-RDBSUJKOSA-N 1 1 321.808 2.068 50 0 DEAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)Cn2cccc2)C1 ZINC000670442280 540933802 /nfs/dbraw/zinc/93/38/02/540933802.db2.gz RVWWHJODHAIPGX-KRWDZBQOSA-N 1 1 311.429 2.402 50 0 DEAAMO COc1coc(C[N@@H+](C)CCCc2c(C)n[nH]c2C)cc1=O ZINC000670468585 540938410 /nfs/dbraw/zinc/93/84/10/540938410.db2.gz QAZHISFOQGYOIA-UHFFFAOYSA-N 1 1 305.378 2.053 50 0 DEAAMO C[C@@H]1CCC[N@@H+](CCCNc2c(=O)c(=O)c2-c2ccccc2)C1 ZINC000006749169 181382464 /nfs/dbraw/zinc/38/24/64/181382464.db2.gz WRVQROGFYRHGGN-CQSZACIVSA-N 1 1 312.413 2.484 50 0 DEAAMO Cc1cnn(CCCNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000091416675 193053081 /nfs/dbraw/zinc/05/30/81/193053081.db2.gz QAUIAKZMZTWGKG-QGZVFWFLSA-N 1 1 314.433 2.309 50 0 DEAAMO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)o1 ZINC000091475037 193061626 /nfs/dbraw/zinc/06/16/26/193061626.db2.gz KBCDTMHMTRHFOS-HUUCEWRRSA-N 1 1 303.406 2.238 50 0 DEAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091494568 193064192 /nfs/dbraw/zinc/06/41/92/193064192.db2.gz XQXZYSIVXVCGJE-SFHVURJKSA-N 1 1 322.449 2.318 50 0 DEAAMO Cc1c[nH+]c(N)nc1NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000091678410 193090498 /nfs/dbraw/zinc/09/04/98/193090498.db2.gz CQKDBAXILRFXOG-LBPRGKRZSA-N 1 1 301.369 2.445 50 0 DEAAMO CC(C)n1ccnc1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091998086 193139371 /nfs/dbraw/zinc/13/93/71/193139371.db2.gz VGNNORLJOFYFTJ-QAPCUYQASA-N 1 1 321.465 2.464 50 0 DEAAMO CC(C)n1ccnc1C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091998086 193139372 /nfs/dbraw/zinc/13/93/72/193139372.db2.gz VGNNORLJOFYFTJ-QAPCUYQASA-N 1 1 321.465 2.464 50 0 DEAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCC(=O)c1ccccc1)C2 ZINC000092077972 193153347 /nfs/dbraw/zinc/15/33/47/193153347.db2.gz LQZZCZCJBSEHEH-GOEBONIOSA-N 1 1 300.402 2.202 50 0 DEAAMO O=C([C@H](c1cccnc1)[NH+]1CCCC1)N1CCn2cccc2C1 ZINC000095361189 296090884 /nfs/dbraw/zinc/09/08/84/296090884.db2.gz LPCDAYAXHQBSKU-KRWDZBQOSA-N 1 1 310.401 2.062 50 0 DEAAMO COc1ccccc1C[NH+]1CCN(Cc2cn(C)nc2C)CC1 ZINC000093048331 193197451 /nfs/dbraw/zinc/19/74/51/193197451.db2.gz KWCJYICSASVUDY-UHFFFAOYSA-N 1 1 314.433 2.055 50 0 DEAAMO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccnn3C)CC2)C[C@H](C)O1 ZINC000093844382 193317473 /nfs/dbraw/zinc/31/74/73/193317473.db2.gz 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/nfs/dbraw/zinc/20/29/49/182202949.db2.gz VMGZYTWFQVGXIF-ZFWWWQNUSA-N 1 1 309.479 2.197 50 0 DEAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000020453762 182219641 /nfs/dbraw/zinc/21/96/41/182219641.db2.gz PTZLIPHJOAEPOT-NSHDSACASA-N 1 1 314.788 2.177 50 0 DEAAMO Fc1cccc(C[C@@H]2C[N@@H+](CCCn3cccn3)CCO2)c1 ZINC000020540732 182228876 /nfs/dbraw/zinc/22/88/76/182228876.db2.gz FTSSKMMHVCTYDI-QGZVFWFLSA-N 1 1 303.381 2.356 50 0 DEAAMO Cc1ccc(-c2noc(CC[NH+]3CCN(C)CC3)n2)cc1C ZINC000020599107 182236307 /nfs/dbraw/zinc/23/63/07/182236307.db2.gz YKPLOJIKROFPGF-UHFFFAOYSA-N 1 1 300.406 2.143 50 0 DEAAMO COc1ccccc1CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020777598 182246964 /nfs/dbraw/zinc/24/69/64/182246964.db2.gz KNNNEBNQQZOTHZ-KRWDZBQOSA-N 1 1 306.450 2.220 50 0 DEAAMO CCCc1cn(C[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC000020868552 182250885 /nfs/dbraw/zinc/25/08/85/182250885.db2.gz CPIUFHFMBFEJIO-HNNXBMFYSA-N 1 1 314.437 2.241 50 0 DEAAMO CCOc1cc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)ccc1O ZINC000023153308 182351888 /nfs/dbraw/zinc/35/18/88/182351888.db2.gz KRASYLKJDHSMGZ-INIZCTEOSA-N 1 1 322.449 2.068 50 0 DEAAMO COCc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)o1 ZINC000039557657 183020082 /nfs/dbraw/zinc/02/00/82/183020082.db2.gz WGSNNVSSUZZIRU-MRXNPFEDSA-N 1 1 322.449 2.237 50 0 DEAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccon2)C[C@H]1CCO ZINC000104357933 194001368 /nfs/dbraw/zinc/00/13/68/194001368.db2.gz IFUSIFUGKJCGRF-GOSISDBHSA-N 1 1 315.417 2.052 50 0 DEAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)n2ccnc2)C1 ZINC000106135167 194186556 /nfs/dbraw/zinc/18/65/56/194186556.db2.gz IRGAOAOQQCTCGN-VYDXJSESSA-N 1 1 312.417 2.396 50 0 DEAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000057938051 184063306 /nfs/dbraw/zinc/06/33/06/184063306.db2.gz FBXAURVYAMWBAW-GFCCVEGCSA-N 1 1 313.401 2.245 50 0 DEAAMO CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208884 184088071 /nfs/dbraw/zinc/08/80/71/184088071.db2.gz 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/nfs/dbraw/zinc/32/98/64/184329864.db2.gz XKNGNJSDGZSVSR-CQSZACIVSA-N 1 1 322.474 2.149 50 0 DEAAMO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000065420583 184341509 /nfs/dbraw/zinc/34/15/09/184341509.db2.gz GINBCRYTDBWPLE-CYBMUJFWSA-N 1 1 310.361 2.234 50 0 DEAAMO c1c[nH]c(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000065420583 184341511 /nfs/dbraw/zinc/34/15/11/184341511.db2.gz GINBCRYTDBWPLE-CYBMUJFWSA-N 1 1 310.361 2.234 50 0 DEAAMO Cc1nonc1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065457146 184347498 /nfs/dbraw/zinc/34/74/98/184347498.db2.gz LEVQKBWAGUTFQW-CQSZACIVSA-N 1 1 320.437 2.381 50 0 DEAAMO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)N1CCCCC1 ZINC000065499934 184355374 /nfs/dbraw/zinc/35/53/74/184355374.db2.gz WIHVNGHONYFJDC-UHFFFAOYSA-N 1 1 300.402 2.494 50 0 DEAAMO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)N1CCCCC1 ZINC000065499934 184355376 /nfs/dbraw/zinc/35/53/76/184355376.db2.gz WIHVNGHONYFJDC-UHFFFAOYSA-N 1 1 300.402 2.494 50 0 DEAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC000066137377 184391694 /nfs/dbraw/zinc/39/16/94/184391694.db2.gz UWMXVTLZSQXQQR-LBPRGKRZSA-N 1 1 302.374 2.253 50 0 DEAAMO COCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000110591954 285067539 /nfs/dbraw/zinc/06/75/39/285067539.db2.gz SJTSUSHOLRNMCO-JKSUJKDBSA-N 1 1 305.422 2.015 50 0 DEAAMO Cc1cc(C)n(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000504269211 257148160 /nfs/dbraw/zinc/14/81/60/257148160.db2.gz HSTGXFJSNGQSBN-IRXDYDNUSA-N 1 1 318.465 2.271 50 0 DEAAMO Cc1csc([C@H](NC(=O)NCC[N@H+](C)C2CC2)C2CC2)n1 ZINC000074200666 184965046 /nfs/dbraw/zinc/96/50/46/184965046.db2.gz DGWZUEWPIDOYRY-CYBMUJFWSA-N 1 1 308.451 2.296 50 0 DEAAMO COc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000003214794 401722452 /nfs/dbraw/zinc/72/24/52/401722452.db2.gz VSODIIZFGZLSEC-QGZVFWFLSA-N 1 1 313.397 2.493 50 0 DEAAMO O=C([C@@H](CO)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071863808 401688743 /nfs/dbraw/zinc/68/87/43/401688743.db2.gz 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/nfs/dbraw/zinc/69/40/14/401694014.db2.gz VAJQRVVKKRETTM-MRXNPFEDSA-N 1 1 319.449 2.329 50 0 DEAAMO CCOC[C@H](O)CN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000071904876 401695299 /nfs/dbraw/zinc/69/52/99/401695299.db2.gz NFUQYYDSSUAFEW-VMWRSERWSA-N 1 1 312.498 2.359 50 0 DEAAMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000071915441 401696831 /nfs/dbraw/zinc/69/68/31/401696831.db2.gz VEOBZIVKOCZKQQ-OAHLLOKOSA-N 1 1 320.433 2.045 50 0 DEAAMO CN1CC2(CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)OC1=O ZINC000072172365 401703745 /nfs/dbraw/zinc/70/37/45/401703745.db2.gz WZEKRIFNVPKCHG-JKSUJKDBSA-N 1 1 321.465 2.168 50 0 DEAAMO COC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000126901487 401712616 /nfs/dbraw/zinc/71/26/16/401712616.db2.gz YUQPEQAFOBFOBX-KGLIPLIRSA-N 1 1 301.839 2.437 50 0 DEAAMO COC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000126901487 401712619 /nfs/dbraw/zinc/71/26/19/401712619.db2.gz YUQPEQAFOBFOBX-KGLIPLIRSA-N 1 1 301.839 2.437 50 0 DEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000002692797 401716699 /nfs/dbraw/zinc/71/66/99/401716699.db2.gz JLSIZYMNGQWRJQ-MJBXVCDLSA-N 1 1 307.390 2.418 50 0 DEAAMO COc1cc(OC)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000002800379 401718445 /nfs/dbraw/zinc/71/84/45/401718445.db2.gz YPBJWCKHCCMYSH-AGUYFDCRSA-N 1 1 304.390 2.059 50 0 DEAAMO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1Br ZINC000002811224 401718827 /nfs/dbraw/zinc/71/88/27/401718827.db2.gz YOBCFYJQHWRARM-LLVKDONJSA-N 1 1 300.196 2.414 50 0 DEAAMO COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1Br ZINC000002811224 401718829 /nfs/dbraw/zinc/71/88/29/401718829.db2.gz YOBCFYJQHWRARM-LLVKDONJSA-N 1 1 300.196 2.414 50 0 DEAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NCc1cccnc1 ZINC000075137024 401751809 /nfs/dbraw/zinc/75/18/09/401751809.db2.gz AUEYMVLBMJKYGS-SFHVURJKSA-N 1 1 309.413 2.405 50 0 DEAAMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CSCc1cccnc1 ZINC000075143262 401752312 /nfs/dbraw/zinc/75/23/12/401752312.db2.gz NJGJAGMIMZCOFV-OAHLLOKOSA-N 1 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LJTHRFDUWGJNJW-KRWDZBQOSA-N 1 1 304.434 2.188 50 0 DEAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000011914270 401777397 /nfs/dbraw/zinc/77/73/97/401777397.db2.gz VCOFIRPFXLYKED-CYBMUJFWSA-N 1 1 309.362 2.362 50 0 DEAAMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070240 401780219 /nfs/dbraw/zinc/78/02/19/401780219.db2.gz DPZXGNHMFPOOJI-STQMWFEESA-N 1 1 310.467 2.273 50 0 DEAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccnc2)C1 ZINC000076067774 401780321 /nfs/dbraw/zinc/78/03/21/401780321.db2.gz CIETUICBKGCLBI-CABCVRRESA-N 1 1 307.463 2.304 50 0 DEAAMO Cn1cc[nH+]c1N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000012444512 401786582 /nfs/dbraw/zinc/78/65/82/401786582.db2.gz XMIKRWCZLBCCRU-UHFFFAOYSA-N 1 1 312.417 2.092 50 0 DEAAMO C[N@@H+](CCNC(=O)[C@@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015786136 401818444 /nfs/dbraw/zinc/81/84/44/401818444.db2.gz IJJNHQPEKMFIFL-SFHVURJKSA-N 1 1 324.424 2.486 50 0 DEAAMO C[NH2+]CC(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 ZINC000077521332 401818644 /nfs/dbraw/zinc/81/86/44/401818644.db2.gz LQMJXWJFFGAVPB-UHFFFAOYSA-N 1 1 312.417 2.311 50 0 DEAAMO CCC12CN3CC(CC)(C[NH+](C1)C3[C@@H]1CCOC(C)(C)C1)C2O ZINC000019331458 401822478 /nfs/dbraw/zinc/82/24/78/401822478.db2.gz CJWKUPIDTJTICU-RBJRWOKMSA-N 1 1 322.493 2.316 50 0 biogenic DEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000021049564 401824791 /nfs/dbraw/zinc/82/47/91/401824791.db2.gz UPZNOXIXYYXMRJ-OKILXGFUSA-N 1 1 322.424 2.372 50 0 DEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000021049564 401824794 /nfs/dbraw/zinc/82/47/94/401824794.db2.gz UPZNOXIXYYXMRJ-OKILXGFUSA-N 1 1 322.424 2.372 50 0 DEAAMO C/C=C(\C)C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OCC)CC2)C1 ZINC000020995832 401824804 /nfs/dbraw/zinc/82/48/04/401824804.db2.gz LRXMVVXBTZSRTO-UDCCBSLUSA-N 1 1 309.454 2.191 50 0 DEAAMO CCOC(=O)CCCCCCCC[C@H](O)C[NH+]1CCOCC1 ZINC000028294122 401850851 /nfs/dbraw/zinc/85/08/51/401850851.db2.gz SASTWVBSARGFAN-INIZCTEOSA-N 1 1 315.454 2.363 50 0 DEAAMO 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CC1CC[NH+](CCCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000028069761 401849877 /nfs/dbraw/zinc/84/98/77/401849877.db2.gz IZOVQIXUQCSHGC-UHFFFAOYSA-N 1 1 300.406 2.415 50 0 DEAAMO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000078405573 401850505 /nfs/dbraw/zinc/85/05/05/401850505.db2.gz PEHVYWUFYDLGIJ-HYVNUMGLSA-N 1 1 301.434 2.259 50 0 DEAAMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1C ZINC000029898960 401859939 /nfs/dbraw/zinc/85/99/39/401859939.db2.gz ASRDWKHUFAHMKW-HNNXBMFYSA-N 1 1 316.405 2.279 50 0 DEAAMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000030499233 401863387 /nfs/dbraw/zinc/86/33/87/401863387.db2.gz AIMYGTWOGUPWND-MRXNPFEDSA-N 1 1 304.415 2.268 50 0 DEAAMO COc1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCO2 ZINC000030907053 401867247 /nfs/dbraw/zinc/86/72/47/401867247.db2.gz AFELRFHTYSWBKN-CYBMUJFWSA-N 1 1 318.417 2.040 50 0 DEAAMO COc1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc2c1OCCO2 ZINC000030907053 401867249 /nfs/dbraw/zinc/86/72/49/401867249.db2.gz 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402230375 /nfs/dbraw/zinc/23/03/75/402230375.db2.gz KIKJPQFXCRIBBR-GFCCVEGCSA-N 1 1 301.350 2.321 50 0 DEAAMO C[C@H](CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000069632235 402235668 /nfs/dbraw/zinc/23/56/68/402235668.db2.gz HHQVUXJQNIHZJY-QAPCUYQASA-N 1 1 316.445 2.300 50 0 DEAAMO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(CCO)CC1 ZINC000069658932 402237134 /nfs/dbraw/zinc/23/71/34/402237134.db2.gz PDOZYCPQUJFKRH-LBPRGKRZSA-N 1 1 302.340 2.376 50 0 DEAAMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1 ZINC000069706787 402240450 /nfs/dbraw/zinc/24/04/50/402240450.db2.gz BYCYVZSPWNBQQY-DLBZAZTESA-N 1 1 312.417 2.350 50 0 DEAAMO Cc1cnc(C[N@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000069737070 402241308 /nfs/dbraw/zinc/24/13/08/402241308.db2.gz ANHBJSDYIAYUEG-UHFFFAOYSA-N 1 1 322.416 2.374 50 0 DEAAMO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000069741077 402242007 /nfs/dbraw/zinc/24/20/07/402242007.db2.gz IVVXRIWYKCVZGV-INMHGKMJSA-N 1 1 317.433 2.072 50 0 DEAAMO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000069741077 402242009 /nfs/dbraw/zinc/24/20/09/402242009.db2.gz IVVXRIWYKCVZGV-INMHGKMJSA-N 1 1 317.433 2.072 50 0 DEAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC3(O)CCCCC3)C2)nn1 ZINC000069873507 402248393 /nfs/dbraw/zinc/24/83/93/402248393.db2.gz XZBQUTHHZRAEAF-MRXNPFEDSA-N 1 1 318.465 2.381 50 0 DEAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000069879491 402248851 /nfs/dbraw/zinc/24/88/51/402248851.db2.gz OOOXHWMXFKWKLH-SNVBAGLBSA-N 1 1 317.216 2.132 50 0 DEAAMO Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CN(C)CCO3)co2)c(C)c1 ZINC000069879843 402248955 /nfs/dbraw/zinc/24/89/55/402248955.db2.gz KMWMYLLOIDPZQE-MRXNPFEDSA-N 1 1 315.417 2.379 50 0 DEAAMO CCOCCN1CC[N@@H+](CCc2ccc(OC)cc2)C[C@@H]1C ZINC000069926615 402251574 /nfs/dbraw/zinc/25/15/74/402251574.db2.gz PQJSHJXQORIPEY-INIZCTEOSA-N 1 1 306.450 2.280 50 0 DEAAMO CCOCC[N@@H+]1CCN(CCc2ccc(OC)cc2)C[C@@H]1C ZINC000069926615 402251577 /nfs/dbraw/zinc/25/15/77/402251577.db2.gz PQJSHJXQORIPEY-INIZCTEOSA-N 1 1 306.450 2.280 50 0 DEAAMO CCOCC[N@H+]1CCN(CCc2ccc(OC)cc2)C[C@@H]1C ZINC000069926615 402251579 /nfs/dbraw/zinc/25/15/79/402251579.db2.gz PQJSHJXQORIPEY-INIZCTEOSA-N 1 1 306.450 2.280 50 0 DEAAMO CC(C)c1noc([C@H](C)N2CC[NH+](C[C@H]3CCCCO3)CC2)n1 ZINC000069928327 402251833 /nfs/dbraw/zinc/25/18/33/402251833.db2.gz ZREHECACPBZBES-LSDHHAIUSA-N 1 1 322.453 2.441 50 0 DEAAMO CC[C@@H](C)[N@H+](C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000108393824 402252300 /nfs/dbraw/zinc/25/23/00/402252300.db2.gz OZRNELDDQGXAPV-HUUCEWRRSA-N 1 1 312.479 2.169 50 0 DEAAMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000108393824 402252302 /nfs/dbraw/zinc/25/23/02/402252302.db2.gz OZRNELDDQGXAPV-HUUCEWRRSA-N 1 1 312.479 2.169 50 0 DEAAMO Cc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3cccc(C)c3)no1)CC2 ZINC000069969371 402253078 /nfs/dbraw/zinc/25/30/78/402253078.db2.gz UDCQNCRMWMLVPY-CQSZACIVSA-N 1 1 324.388 2.050 50 0 DEAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 ZINC000069975881 402253586 /nfs/dbraw/zinc/25/35/86/402253586.db2.gz VYEXFIRDOPZKOP-HNNXBMFYSA-N 1 1 313.405 2.130 50 0 DEAAMO Cc1cnc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000106135299 402212665 /nfs/dbraw/zinc/21/26/65/402212665.db2.gz DEKKXAGVKYBSNL-GDBMZVCRSA-N 1 1 310.401 2.350 50 0 DEAAMO CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000071375498 402273718 /nfs/dbraw/zinc/27/37/18/402273718.db2.gz XVWSBZQOIDUUEK-HNNXBMFYSA-N 1 1 320.433 2.442 50 0 DEAAMO CO[C@@H]1CC[N@@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000214949981 402280143 /nfs/dbraw/zinc/28/01/43/402280143.db2.gz QDOSVOFIQHBDTD-QGZVFWFLSA-N 1 1 301.390 2.183 50 0 DEAAMO CC(C)[NH+]1CCN(C(=O)[C@H](C)n2cnc3ccccc32)CC1 ZINC000071825132 402283575 /nfs/dbraw/zinc/28/35/75/402283575.db2.gz JMWGUDNYIFUZDH-AWEZNQCLSA-N 1 1 300.406 2.150 50 0 DEAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215673922 402283922 /nfs/dbraw/zinc/28/39/22/402283922.db2.gz VALDQPATVDDKIC-INIZCTEOSA-N 1 1 300.406 2.362 50 0 DEAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215673922 402283926 /nfs/dbraw/zinc/28/39/26/402283926.db2.gz VALDQPATVDDKIC-INIZCTEOSA-N 1 1 300.406 2.362 50 0 DEAAMO COc1cc(C[NH2+]Cc2c(C)noc2C)cc2c1OCCO2 ZINC000071828181 402284301 /nfs/dbraw/zinc/28/43/01/402284301.db2.gz MFBXWDFFNFXXAO-UHFFFAOYSA-N 1 1 304.346 2.361 50 0 DEAAMO c1ccc([C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)cc1 ZINC000215718149 402284536 /nfs/dbraw/zinc/28/45/36/402284536.db2.gz SNFRGAZWNFIVBU-KRWDZBQOSA-N 1 1 321.384 2.440 50 0 DEAAMO c1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)cc1 ZINC000215718149 402284541 /nfs/dbraw/zinc/28/45/41/402284541.db2.gz SNFRGAZWNFIVBU-KRWDZBQOSA-N 1 1 321.384 2.440 50 0 DEAAMO O=C(c1cnn(Cc2ccccc2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839963 402286409 /nfs/dbraw/zinc/28/64/09/402286409.db2.gz GRVFGAGXJHWKEB-SFHVURJKSA-N 1 1 324.428 2.242 50 0 DEAAMO O=C(c1cnn(Cc2ccccc2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839963 402286411 /nfs/dbraw/zinc/28/64/11/402286411.db2.gz GRVFGAGXJHWKEB-SFHVURJKSA-N 1 1 324.428 2.242 50 0 DEAAMO O=C(c1cncn1-c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839979 402286618 /nfs/dbraw/zinc/28/66/18/402286618.db2.gz YMFHNKBZEAKJRV-INIZCTEOSA-N 1 1 310.401 2.183 50 0 DEAAMO O=C(c1cncn1-c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839979 402286622 /nfs/dbraw/zinc/28/66/22/402286622.db2.gz YMFHNKBZEAKJRV-INIZCTEOSA-N 1 1 310.401 2.183 50 0 DEAAMO C[N@@H+](CCNC(=O)C[C@@H]1CCCC[NH+]1C)CCc1ccccc1 ZINC000216292590 402287945 /nfs/dbraw/zinc/28/79/45/402287945.db2.gz BEWCODXOBDKLNH-SFHVURJKSA-N 1 1 317.477 2.152 50 0 DEAAMO Cn1cc([C@@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)cn1 ZINC000071856526 402288669 /nfs/dbraw/zinc/28/86/69/402288669.db2.gz OOFIWXHGFDTRHJ-KKSFZXQISA-N 1 1 303.431 2.365 50 0 DEAAMO Cn1cc([C@@H]2CCC[N@H+]2CC[S@@](=O)c2ccccc2)cn1 ZINC000071856526 402288671 /nfs/dbraw/zinc/28/86/71/402288671.db2.gz OOFIWXHGFDTRHJ-KKSFZXQISA-N 1 1 303.431 2.365 50 0 DEAAMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000223783126 402312500 /nfs/dbraw/zinc/31/25/00/402312500.db2.gz JEPVAFPKTHLQDB-CYBMUJFWSA-N 1 1 300.324 2.458 50 0 DEAAMO CCn1cc(CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cn1 ZINC000225490858 402319262 /nfs/dbraw/zinc/31/92/62/402319262.db2.gz NMGWKEJFRIWBPC-DLBZAZTESA-N 1 1 303.381 2.393 50 0 DEAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)nc1 ZINC000229398142 402343379 /nfs/dbraw/zinc/34/33/79/402343379.db2.gz WYWTWOQUNMEPKA-NEPJUHHUSA-N 1 1 313.323 2.457 50 0 DEAAMO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000229630376 402344180 /nfs/dbraw/zinc/34/41/80/402344180.db2.gz IVVXRIWYKCVZGV-BFYDXBDKSA-N 1 1 317.433 2.072 50 0 DEAAMO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000229630376 402344182 /nfs/dbraw/zinc/34/41/82/402344182.db2.gz IVVXRIWYKCVZGV-BFYDXBDKSA-N 1 1 317.433 2.072 50 0 DEAAMO C[C@H](C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000230310515 402350147 /nfs/dbraw/zinc/35/01/47/402350147.db2.gz DZQCEGIOOTZOLN-RISCZKNCSA-N 1 1 316.854 2.067 50 0 DEAAMO C[C@@H](C[N@@H+](C)Cc1cc(-c2cccs2)n[nH]1)n1cncn1 ZINC000244893018 402451056 /nfs/dbraw/zinc/45/10/56/402451056.db2.gz YTWFHPXMPQGVKD-NSHDSACASA-N 1 1 302.407 2.423 50 0 DEAAMO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000242155982 402444616 /nfs/dbraw/zinc/44/46/16/402444616.db2.gz WUWIMNVRUVOQJR-NTZNESFSSA-N 1 1 312.360 2.189 50 0 DEAAMO C[C@H]1CN(C)c2ccccc2N(C(=O)c2csc(C[NH3+])n2)C1 ZINC000178436336 402498265 /nfs/dbraw/zinc/49/82/65/402498265.db2.gz NSWAELHTCQVOKK-NSHDSACASA-N 1 1 316.430 2.335 50 0 DEAAMO CCS(=O)(=O)c1ccc(N[C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000170604438 402506636 /nfs/dbraw/zinc/50/66/36/402506636.db2.gz LPNNYMQHSPZXHU-CQSZACIVSA-N 1 1 319.430 2.412 50 0 DEAAMO CCCn1cc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)cn1 ZINC000170608685 402506958 /nfs/dbraw/zinc/50/69/58/402506958.db2.gz ZVZZHEZEMXTEPC-KRWDZBQOSA-N 1 1 316.405 2.256 50 0 DEAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000248090481 402582015 /nfs/dbraw/zinc/58/20/15/402582015.db2.gz CCUKMEVPSDBNQW-LSDHHAIUSA-N 1 1 316.380 2.401 50 0 DEAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000248104749 402582909 /nfs/dbraw/zinc/58/29/09/402582909.db2.gz OWLUTVMUOPKPOL-ZBFHGGJFSA-N 1 1 321.417 2.477 50 0 DEAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccncc1 ZINC000249692769 402638692 /nfs/dbraw/zinc/63/86/92/402638692.db2.gz MZPZXIBUFFKCDQ-IAGOWNOFSA-N 1 1 301.434 2.490 50 0 DEAAMO CCN(CC)c1ccc(CN=Nc2ccc3nncn3n2)cc1 ZINC000252621415 402659621 /nfs/dbraw/zinc/65/96/21/402659621.db2.gz MYAXMYZLKWXUCV-UHFFFAOYSA-N 1 1 309.377 2.417 50 0 DEAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000252477989 402653934 /nfs/dbraw/zinc/65/39/34/402653934.db2.gz ZFQAZKBLANEMSP-BFYDXBDKSA-N 1 1 304.434 2.406 50 0 DEAAMO Cc1ncsc1CC[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000252481326 402654595 /nfs/dbraw/zinc/65/45/95/402654595.db2.gz CJASWLKYPSRTTD-UHFFFAOYSA-N 1 1 320.443 2.195 50 0 DEAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1cnccn1 ZINC000253430386 402666463 /nfs/dbraw/zinc/66/64/63/402666463.db2.gz ZPTYLMUJZVKVIJ-YJBOKZPZSA-N 1 1 324.428 2.046 50 0 DEAAMO COCc1noc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000182396622 402686758 /nfs/dbraw/zinc/68/67/58/402686758.db2.gz DFBGZHKNBSWDIR-HNNXBMFYSA-N 1 1 316.405 2.317 50 0 DEAAMO COCc1noc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000182396622 402686761 /nfs/dbraw/zinc/68/67/61/402686761.db2.gz DFBGZHKNBSWDIR-HNNXBMFYSA-N 1 1 316.405 2.317 50 0 DEAAMO COCc1nc(C)cc(N2CC([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000286239690 403479761 /nfs/dbraw/zinc/47/97/61/403479761.db2.gz FFMVHEMASRSVKN-UHFFFAOYSA-N 1 1 312.417 2.252 50 0 DEAAMO Cc1nn(C)c(C)c1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1C ZINC000299770547 403570856 /nfs/dbraw/zinc/57/08/56/403570856.db2.gz RZUNHAGKVWQNGK-LLVKDONJSA-N 1 1 303.410 2.152 50 0 DEAAMO COCc1nc(C)c(CNC(=O)[C@H](C)[NH+]2CCCCC2)s1 ZINC000426722747 405376327 /nfs/dbraw/zinc/37/63/27/405376327.db2.gz 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C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000240555618 277119127 /nfs/dbraw/zinc/11/91/27/277119127.db2.gz GWQIXBHNYVIYOX-DZGCQCFKSA-N 1 1 324.808 2.001 50 0 DEAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000240555618 277119128 /nfs/dbraw/zinc/11/91/28/277119128.db2.gz GWQIXBHNYVIYOX-DZGCQCFKSA-N 1 1 324.808 2.001 50 0 DEAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccccc2)C[C@@H](C)O1 ZINC000229518560 288203567 /nfs/dbraw/zinc/20/35/67/288203567.db2.gz WNXXANBNZLTTQH-BFYDXBDKSA-N 1 1 302.418 2.400 50 0 DEAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCCCC1 ZINC000005002247 290326301 /nfs/dbraw/zinc/32/63/01/290326301.db2.gz LDQHFPLKHUTWDM-ZDUSSCGKSA-N 1 1 301.390 2.236 50 0 DEAAMO Cc1ccccc1[C@@H]1C[N@H+](C2CC[NH+](C)CC2)C[C@H]1C(=O)[O-] ZINC000091624906 302154704 /nfs/dbraw/zinc/15/47/04/302154704.db2.gz IVTNLARKWPUDBV-DLBZAZTESA-N 1 1 302.418 2.189 50 0 DEAAMO Cc1ccccc1[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)C[C@H]1C(=O)[O-] ZINC000091624906 302154706 /nfs/dbraw/zinc/15/47/06/302154706.db2.gz IVTNLARKWPUDBV-DLBZAZTESA-N 1 1 302.418 2.189 50 0 DEAAMO c1c(-c2cncnc2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095365991 332169397 /nfs/dbraw/zinc/16/93/97/332169397.db2.gz BTNDBBORRKLADC-MRXNPFEDSA-N 1 1 306.373 2.182 50 0 DEAAMO CC[N@@H+](C)C1(CNC(=O)c2cnc(C(C)=O)s2)CCCC1 ZINC000534591509 334294509 /nfs/dbraw/zinc/29/45/09/334294509.db2.gz KDQOLQJBBMRZDZ-UHFFFAOYSA-N 1 1 309.435 2.340 50 0 DEAAMO CC(C)SCCN1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000534637704 334309936 /nfs/dbraw/zinc/30/99/36/334309936.db2.gz IVNMKVYOHRSGQP-AWEZNQCLSA-N 1 1 314.495 2.389 50 0 DEAAMO CC(C)SCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000534637704 334309938 /nfs/dbraw/zinc/30/99/38/334309938.db2.gz IVNMKVYOHRSGQP-AWEZNQCLSA-N 1 1 314.495 2.389 50 0 DEAAMO CC(C)SCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000534637704 334309939 /nfs/dbraw/zinc/30/99/39/334309939.db2.gz IVNMKVYOHRSGQP-AWEZNQCLSA-N 1 1 314.495 2.389 50 0 DEAAMO C[C@@H](C(=O)Nc1ccc(OCCO)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000156403957 337383299 /nfs/dbraw/zinc/38/32/99/337383299.db2.gz LEOPPIGRYAXBMT-MJBXVCDLSA-N 1 1 306.406 2.258 50 0 DEAAMO COC(=O)c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118398 /nfs/dbraw/zinc/11/83/98/534118398.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 1 1 320.458 2.451 50 0 DEAAMO CCOCC[N@H+]1CCN(CCOc2cccc(F)c2)C[C@H]1C ZINC000241383370 528751494 /nfs/dbraw/zinc/75/14/94/528751494.db2.gz MUVHNFPPIMFMJJ-OAHLLOKOSA-N 1 1 310.413 2.247 50 0 DEAAMO CCOCCN1CC[N@H+](CCOc2cccc(F)c2)C[C@H]1C ZINC000241383370 528751498 /nfs/dbraw/zinc/75/14/98/528751498.db2.gz MUVHNFPPIMFMJJ-OAHLLOKOSA-N 1 1 310.413 2.247 50 0 DEAAMO CCOCCN1CC[N@@H+](CCOc2cccc(F)c2)C[C@H]1C ZINC000241383370 528751502 /nfs/dbraw/zinc/75/15/02/528751502.db2.gz MUVHNFPPIMFMJJ-OAHLLOKOSA-N 1 1 310.413 2.247 50 0 DEAAMO CC(C)N(CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000408521273 528869490 /nfs/dbraw/zinc/86/94/90/528869490.db2.gz OAFFDTPCHDBILQ-UHFFFAOYSA-N 1 1 303.450 2.368 50 0 DEAAMO Cc1c(N)nc(-c2ccccn2)nc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000888098161 635536887 /nfs/dbraw/zinc/53/68/87/635536887.db2.gz BYNVXBNWPACEQZ-CQSZACIVSA-N 1 1 324.432 2.104 50 0 DEAAMO CO[C@@H](C)c1c(-c2ccccc2)ncn1C[C@]1(O)CC[N@@H+](C)C1 ZINC000888097447 635541149 /nfs/dbraw/zinc/54/11/49/635541149.db2.gz JAKCXIMUWFOSKC-KSSFIOAISA-N 1 1 315.417 2.324 50 0 DEAAMO C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000888099659 635548669 /nfs/dbraw/zinc/54/86/69/635548669.db2.gz IJJWPFDENKCGHD-UGUYLWEFSA-N 1 1 309.498 2.199 50 0 DEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1C ZINC000074197409 637121401 /nfs/dbraw/zinc/12/14/01/637121401.db2.gz ZAGNTIYLZUVDKV-INIZCTEOSA-N 1 1 312.417 2.395 50 0 DEAAMO COc1ccccc1-c1noc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000874435630 648090075 /nfs/dbraw/zinc/09/00/75/648090075.db2.gz ZZPVLZWLGZDCLA-FZMZJTMJSA-N 1 1 301.346 2.281 50 0 DEAAMO COc1cccc(-n2cc(CNc3nc(N)c(C)c[nH+]3)cn2)c1 ZINC000032529843 683877722 /nfs/dbraw/zinc/87/77/22/683877722.db2.gz WTRJVAGVLPBOJR-UHFFFAOYSA-N 1 1 310.361 2.174 50 0 DEAAMO COc1cc2c(c(C[N@@H+](C)CCn3cccn3)c1)O[C@@H](C)C2 ZINC000125241277 684143550 /nfs/dbraw/zinc/14/35/50/684143550.db2.gz VLEHWUWABHJWMU-ZDUSSCGKSA-N 1 1 301.390 2.347 50 0 DEAAMO