smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[N@H+]2C ZINC000027305612 190654499 /nfs/dbraw/zinc/65/44/99/190654499.db2.gz VWDKIWRYOHFUPV-WJFTUGDTSA-N 1 1 314.473 3.430 1 0 DGAFMO C[C@H]1CCC[C@@H]1[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000084652035 192452087 /nfs/dbraw/zinc/45/20/87/192452087.db2.gz YQJCVJQFIONKCN-RCBQFDQVSA-N 1 1 306.837 3.333 1 0 DGAFMO Fc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCn3cccn3)nc2c1 ZINC000020118786 182189463 /nfs/dbraw/zinc/18/94/63/182189463.db2.gz APMFGVSLXWBVNW-INIZCTEOSA-N 1 1 313.380 3.126 1 0 DGAFMO C[N@H+]1CC[C@@H](OC(=O)C(C)(c2ccccc2)c2ccccc2)C1 ZINC000043072039 183334192 /nfs/dbraw/zinc/33/41/92/183334192.db2.gz PSENLAALRJIGEA-GOSISDBHSA-N 1 1 309.409 3.240 1 0 DGAFMO C[N@H+]1C[C@@]2(CCc3ccccc3C2=O)[C@H]2c3ccccc3OC[C@H]21 ZINC000064573554 184300582 /nfs/dbraw/zinc/30/05/82/184300582.db2.gz CGSBCTDTTNGMED-LMNJBCLMSA-N 1 1 319.404 3.292 1 0 DGAFMO Cc1cnc(CN(CCCC[NH3+])[C@H](C)c2ccccn2)c(C)c1 ZINC000066065981 184386455 /nfs/dbraw/zinc/38/64/55/184386455.db2.gz ZOSBGNJWLUKHGF-QGZVFWFLSA-N 1 1 312.461 3.396 1 0 DGAFMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nccs3)CC2)c1 ZINC000035075417 431824437 /nfs/dbraw/zinc/82/44/37/431824437.db2.gz YJDOUUFJTRPKOU-UHFFFAOYSA-N 1 1 315.442 3.270 1 0 DGAFMO COc1c2c(c3c4c1CC[N@H+](C)[C@H]4Cc1ccccc1-3)OCO2 ZINC000014715536 560224825 /nfs/dbraw/zinc/22/48/25/560224825.db2.gz NFEXDKYJEYMIMF-AWEZNQCLSA-N 1 1 309.365 3.176 1 0 biogenic,in-vitro DGAFMO COc1c2c(c3c4c1CC[N@@H+](C)[C@H]4Cc1ccccc1-3)OCO2 ZINC000014715536 560224826 /nfs/dbraw/zinc/22/48/26/560224826.db2.gz NFEXDKYJEYMIMF-AWEZNQCLSA-N 1 1 309.365 3.176 1 0 biogenic,in-vitro DGAFMO C[N@H+]1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO ZINC000082152493 192362381 /nfs/dbraw/zinc/36/23/81/192362381.db2.gz YGTOBHZRTULFTF-QGZVFWFLSA-N 1 1 320.436 3.150 1 0 DGAFMO OC1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072102402 191036969 /nfs/dbraw/zinc/03/69/69/191036969.db2.gz KHCODUOXAXLWGY-KRWDZBQOSA-N 1 1 302.805 3.281 1 0 DGAFMO COCCNc1c(-c2ccc(O)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004102756 181073492 /nfs/dbraw/zinc/07/34/92/181073492.db2.gz BYNADIAXOKOBFD-UHFFFAOYSA-N 1 1 317.776 3.419 3 0 DGAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC[C@H]2OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005700258 181274314 /nfs/dbraw/zinc/27/43/14/181274314.db2.gz UIGHAFKYTZOCKS-ANUUYTJMSA-N 1 1 303.446 3.371 1 0 DGAFMO Fc1ccc(-c2csc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000102662537 431995956 /nfs/dbraw/zinc/99/59/56/431995956.db2.gz UJWXLWUUCKHORS-HIFRSBDPSA-N 1 1 304.390 3.485 1 0 DGAFMO Cc1cc2cccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)c2o1 ZINC000095511985 185376461 /nfs/dbraw/zinc/37/64/61/185376461.db2.gz IENKWZFQSISYDJ-LSDHHAIUSA-N 1 1 313.401 3.442 1 0 DGAFMO CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000095549140 185379171 /nfs/dbraw/zinc/37/91/71/185379171.db2.gz JHKFTIBAMCJBQD-BSDSXHPESA-N 1 1 301.430 3.378 1 0 DGAFMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccnc3)[N@H+]3CCC[C@@]123 ZINC000020865554 182250109 /nfs/dbraw/zinc/25/01/09/182250109.db2.gz MRTUOCSWYYVAEQ-QRFRQXIXSA-N 1 1 319.408 3.024 1 0 DGAFMO CCOc1ccc(C)cc1-c1cc2[nH+]c(N)nc(N)c2cc1C ZINC000072114524 184930986 /nfs/dbraw/zinc/93/09/86/184930986.db2.gz JBQLSAAGUSPRCE-UHFFFAOYSA-N 1 1 308.385 3.477 1 0 DGAFMO C[NH+]1CCN(Cc2coc(-c3cccc4ccccc43)n2)CC1 ZINC000072180120 191071924 /nfs/dbraw/zinc/07/19/24/191071924.db2.gz DUGLZXXMYWSISY-UHFFFAOYSA-N 1 1 307.397 3.242 1 0 DGAFMO COC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000003949577 181058606 /nfs/dbraw/zinc/05/86/06/181058606.db2.gz XRGOEISCAQSORF-GHMZBOCLSA-N 1 1 302.201 3.202 1 0 DGAFMO COc1cc2c(cc1OC)[C@@H]1Cc3ccccc3CC[N@H+]1CC2 ZINC000006403818 181338523 /nfs/dbraw/zinc/33/85/23/181338523.db2.gz GBFRCHJWZOUGOA-SFHVURJKSA-N 1 1 309.409 3.402 1 0 DGAFMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCc1ccncc1)C3 ZINC000040465040 183071424 /nfs/dbraw/zinc/07/14/24/183071424.db2.gz QEVPMCAFPZXNKV-UHFFFAOYSA-N 1 1 307.397 3.172 1 0 DGAFMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCc1ccncc1)C3 ZINC000040465040 183071427 /nfs/dbraw/zinc/07/14/27/183071427.db2.gz QEVPMCAFPZXNKV-UHFFFAOYSA-N 1 1 307.397 3.172 1 0 DGAFMO CCC[C@@H]1CC(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040843837 183141424 /nfs/dbraw/zinc/14/14/24/183141424.db2.gz LEDWRROTDFGMIG-LMFCIFFHSA-N 1 1 313.441 3.286 1 0 DGAFMO COc1ccc(NC(=O)[C@@]2(C)CCC[N@H+](C(C)C)C2)cc1F ZINC000061903266 184193543 /nfs/dbraw/zinc/19/35/43/184193543.db2.gz OGZDILVJBOJSRO-KRWDZBQOSA-N 1 1 308.397 3.283 3 0 DGAFMO CCCNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000061897220 184193759 /nfs/dbraw/zinc/19/37/59/184193759.db2.gz HQCUKBVXZMZMHM-SFHVURJKSA-N 1 1 300.402 3.171 3 0 DGAFMO CC(C)NC(=O)[C@@]1(C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061897113 184193795 /nfs/dbraw/zinc/19/37/95/184193795.db2.gz YXIQYOCLFFBDEI-OAHLLOKOSA-N 1 1 314.351 3.194 3 0 DGAFMO CC(C)NC(=O)[C@@]1(C)CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061897113 184193797 /nfs/dbraw/zinc/19/37/97/184193797.db2.gz YXIQYOCLFFBDEI-OAHLLOKOSA-N 1 1 314.351 3.194 3 0 DGAFMO Cc1cnc(CN(CCCC[NH3+])[C@@H](C)c2ccccn2)c(C)c1 ZINC000066065980 184386345 /nfs/dbraw/zinc/38/63/45/184386345.db2.gz ZOSBGNJWLUKHGF-KRWDZBQOSA-N 1 1 312.461 3.396 1 0 DGAFMO c1[nH]nc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccn4)C3)cc12 ZINC000028640077 581092361 /nfs/dbraw/zinc/09/23/61/581092361.db2.gz MVGBYCXIQQSBRZ-QGZVFWFLSA-N 1 1 307.401 3.034 1 0 DGAFMO COc1cc2c3c(c1)-c1c(cccc1OC(C)=O)C[C@H]3[N@@H+](C)CC2 ZINC000040395234 183060892 /nfs/dbraw/zinc/06/08/92/183060892.db2.gz LDYRKVDHSYMRQS-QGZVFWFLSA-N 1 1 323.392 3.373 1 0 DGAFMO C(=C/c1ccccc1)\c1nc2ccccc2n1C[NH+]1CCOCC1 ZINC000040423382 183065276 /nfs/dbraw/zinc/06/52/76/183065276.db2.gz NHCJVBZHGNDLKN-ZHACJKMWSA-N 1 1 319.408 3.496 1 0 DGAFMO CC[N@H+]1CCC[C@@H](N[C@@H]2c3ccccc3OCc3ncccc32)C1 ZINC000040738001 183127244 /nfs/dbraw/zinc/12/72/44/183127244.db2.gz NXQNPNAIDQGKPB-QRWLVFNGSA-N 1 1 323.440 3.137 1 0 DGAFMO CCN1CCC[C@@H]([NH2+][C@@H]2c3ccccc3OCc3ncccc32)C1 ZINC000040738001 183127246 /nfs/dbraw/zinc/12/72/46/183127246.db2.gz NXQNPNAIDQGKPB-QRWLVFNGSA-N 1 1 323.440 3.137 1 0 DGAFMO C[C@H]1CCCC[N@H+]1CCN1CCN(c2cccc(Cl)c2)C1=O ZINC000042921088 183318602 /nfs/dbraw/zinc/31/86/02/183318602.db2.gz ILLQMENNVJLGMH-AWEZNQCLSA-N 1 1 321.852 3.456 1 0 DGAFMO COc1cccc(NC(=O)[C@]2(C)CC[N@@H+]2CCc2ccccc2)c1 ZINC000061908932 184194724 /nfs/dbraw/zinc/19/47/24/184194724.db2.gz JPEJFIXTXCQPKD-FQEVSTJZSA-N 1 1 324.424 3.341 3 0 DGAFMO COc1cccc(NC(=O)[C@]2(C)CC[N@H+]2CCc2ccccc2)c1 ZINC000061908932 184194725 /nfs/dbraw/zinc/19/47/25/184194725.db2.gz JPEJFIXTXCQPKD-FQEVSTJZSA-N 1 1 324.424 3.341 3 0 DGAFMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](C[C@@H](O)COc1ccccc1)C2 ZINC000006598723 181359192 /nfs/dbraw/zinc/35/91/92/181359192.db2.gz TWFIYJORCSEMDQ-GPMSIDNRSA-N 1 1 303.446 3.327 1 0 DGAFMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000020784524 182247313 /nfs/dbraw/zinc/24/73/13/182247313.db2.gz XKDIQPVNWJSOHU-FQEVSTJZSA-N 1 1 309.457 3.221 1 0 DGAFMO CNc1nc(NCC[C@@H]2CC[N@@H+](C)C2)nc2ccc(Cl)cc21 ZINC000040873286 183145420 /nfs/dbraw/zinc/14/54/20/183145420.db2.gz OICQCECVOFFRAG-LLVKDONJSA-N 1 1 319.840 3.079 1 0 DGAFMO O=C1N(CC[N@H+]2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1 ZINC000043079140 183335010 /nfs/dbraw/zinc/33/50/10/183335010.db2.gz KUXKOTSZBCHRDY-DZGCQCFKSA-N 1 1 319.836 3.066 1 0 DGAFMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000059261995 184136030 /nfs/dbraw/zinc/13/60/30/184136030.db2.gz YJTLIUOYMGJKGP-KBXCAEBGSA-N 1 1 313.445 3.098 1 0 DGAFMO Nc1nc2cc3c(cc2s1)CC[N@@H+](Cc1ccccc1)CC3 ZINC000095608639 185382588 /nfs/dbraw/zinc/38/25/88/185382588.db2.gz RRGCMCQNBGLNIY-UHFFFAOYSA-N 1 1 309.438 3.479 1 0 DGAFMO c1[nH]c2cccc3c2c1C[C@@H]1C[N@@H+](Cc2ccccc2)CCN31 ZINC000072315817 191121155 /nfs/dbraw/zinc/12/11/55/191121155.db2.gz YPDPMVCWRIXMHS-QGZVFWFLSA-N 1 1 303.409 3.415 1 0 DGAFMO Clc1ccc2c(NCCCCn3cncn3)cc[nH+]c2c1 ZINC000073166662 191287662 /nfs/dbraw/zinc/28/76/62/191287662.db2.gz ZTXVRRHSCXQWHR-UHFFFAOYSA-N 1 1 301.781 3.372 1 0 DGAFMO Cc1cc(Cl)ccc1NCc1ccc2[nH+]c(N)nc(N)c2c1 ZINC000003815023 181047277 /nfs/dbraw/zinc/04/72/77/181047277.db2.gz LUAPOUXUEGCVKI-UHFFFAOYSA-N 1 1 313.792 3.368 1 0 DGAFMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(OC)c1)C2 ZINC000004886966 181167711 /nfs/dbraw/zinc/16/77/11/181167711.db2.gz WVYMGYFXCGMDSU-ALOPSCKCSA-N 1 1 316.445 3.221 1 0 DGAFMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1)c1ccccc1 ZINC000004886392 181167783 /nfs/dbraw/zinc/16/77/83/181167783.db2.gz NPFIBMUVYRLFEJ-ALOPSCKCSA-N 1 1 310.397 3.205 3 0 DGAFMO CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1nn[nH]n1 ZINC000013472127 181853532 /nfs/dbraw/zinc/85/35/32/181853532.db2.gz IBQZYICXZJVDIQ-UHFFFAOYSA-N 1 1 308.409 3.390 1 0 DGAFMO Cn1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc(F)ccc21 ZINC000029343241 182561371 /nfs/dbraw/zinc/56/13/71/182561371.db2.gz SSPZOVZLPLIADA-PBWFPOADSA-N 1 1 316.376 3.099 1 0 DGAFMO CC[C@@H]1[C@@H](C)C(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040670567 183115624 /nfs/dbraw/zinc/11/56/24/183115624.db2.gz XTVOFHNAOOSFDE-PFUDZIMTSA-N 1 1 313.441 3.142 1 0 DGAFMO COc1cccc([C@@H]2[C@H](OC)COC[N@@H+]2C2CCCCC2)c1 ZINC000040954695 183151450 /nfs/dbraw/zinc/15/14/50/183151450.db2.gz ARQXSQYUKZXWEE-QZTJIDSGSA-N 1 1 305.418 3.374 1 0 DGAFMO COc1cccc([C@@H]2[C@H](OC)COC[N@H+]2C2CCCCC2)c1 ZINC000040954695 183151451 /nfs/dbraw/zinc/15/14/51/183151451.db2.gz ARQXSQYUKZXWEE-QZTJIDSGSA-N 1 1 305.418 3.374 1 0 DGAFMO c1ccc(N2CCC[N@H+]([C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000105902541 194167375 /nfs/dbraw/zinc/16/73/75/194167375.db2.gz KBDAHWSSIVRNGT-IBGZPJMESA-N 1 1 308.425 3.202 1 0 DGAFMO CCCNC(=O)[C@]1(C)CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000061897218 184193764 /nfs/dbraw/zinc/19/37/64/184193764.db2.gz HQCUKBVXZMZMHM-GOSISDBHSA-N 1 1 300.402 3.171 3 0 DGAFMO CCNC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000061903956 184193954 /nfs/dbraw/zinc/19/39/54/184193954.db2.gz CNNROTHQVNAKLM-HNNXBMFYSA-N 1 1 314.351 3.196 3 0 DGAFMO CCNC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000061903956 184193955 /nfs/dbraw/zinc/19/39/55/184193955.db2.gz CNNROTHQVNAKLM-HNNXBMFYSA-N 1 1 314.351 3.196 3 0 DGAFMO CCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000061904708 184194089 /nfs/dbraw/zinc/19/40/89/184194089.db2.gz MSARYWXFNOHBRT-QGZVFWFLSA-N 1 1 308.853 3.468 3 0 DGAFMO F[C@@H]1CC[N@@H+](CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 ZINC000066066161 184386496 /nfs/dbraw/zinc/38/64/96/184386496.db2.gz ZMXXHEQIAQJFTR-QGZVFWFLSA-N 1 1 323.415 3.463 1 0 DGAFMO c1[nH]nc2ccc(N[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc12 ZINC000028640085 581092364 /nfs/dbraw/zinc/09/23/64/581092364.db2.gz BKQFBAILJJESBH-KRWDZBQOSA-N 1 1 307.401 3.034 1 0 DGAFMO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2o1 ZINC000095566835 185380244 /nfs/dbraw/zinc/38/02/44/185380244.db2.gz KNFZZYFSFORCJD-UHFFFAOYSA-N 1 1 320.392 3.115 3 0 DGAFMO CC(=O)OCCC[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910579 185390915 /nfs/dbraw/zinc/39/09/15/185390915.db2.gz BEMFAESGNZMDAI-KRWDZBQOSA-N 1 1 323.820 3.221 1 0 DGAFMO CC[NH+](CC)Cc1cn(-c2ccnc3cc(Cl)ccc32)nn1 ZINC000103270080 185443125 /nfs/dbraw/zinc/44/31/25/185443125.db2.gz FFLSWNZSXFSCIT-UHFFFAOYSA-N 1 1 315.808 3.311 1 0 DGAFMO C[NH+](C)Cc1ccccc1-c1cncnc1Nc1ccncc1 ZINC000004239215 181087071 /nfs/dbraw/zinc/08/70/71/181087071.db2.gz XQXCVOWERWISCP-UHFFFAOYSA-N 1 1 305.385 3.344 1 0 DGAFMO C[C@H]1CCC[N@@H+](CCN2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000042920474 183318233 /nfs/dbraw/zinc/31/82/33/183318233.db2.gz RZOFUKBGZQUWCB-AWEZNQCLSA-N 1 1 321.852 3.314 1 0 DGAFMO CCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000061896260 184192976 /nfs/dbraw/zinc/19/29/76/184192976.db2.gz QPJLZJUVYNWABH-KRWDZBQOSA-N 1 1 308.853 3.468 3 0 DGAFMO COCc1ccccc1CC[N@@H+](C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000085486967 560076082 /nfs/dbraw/zinc/07/60/82/560076082.db2.gz KIEZAICDRLJSBE-JXFKEZNVSA-N 1 1 313.441 3.429 1 0 biogenic,in-vitro DGAFMO C[N@H+]1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 ZINC000096927285 185391906 /nfs/dbraw/zinc/39/19/06/185391906.db2.gz RCEICSWGMGYSKW-PMACEKPBSA-N 1 1 309.409 3.359 1 0 DGAFMO CCCCc1ccc(-c2nc(CN3CC[NH+](C)CC3)co2)cc1 ZINC000072182452 191071859 /nfs/dbraw/zinc/07/18/59/191071859.db2.gz SKUPSEUCRGVKMZ-UHFFFAOYSA-N 1 1 313.445 3.432 1 0 DGAFMO C[NH+]1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072184658 191072188 /nfs/dbraw/zinc/07/21/88/191072188.db2.gz XSAIKQKFVHPUQC-QGZVFWFLSA-N 1 1 301.821 3.072 1 0 DGAFMO c1ccc2c(c1)nnn2CNc1ccc([NH+]2CCCCC2)cc1 ZINC000005647476 181267720 /nfs/dbraw/zinc/26/77/20/181267720.db2.gz FEJWFJLDFCOIKG-UHFFFAOYSA-N 1 1 307.401 3.491 1 0 DGAFMO Cc1ccc2c(c1)Nc1cscc1C(N1CC[NH+](C)CC1)=N2 ZINC000039241378 183015772 /nfs/dbraw/zinc/01/57/72/183015772.db2.gz NNTSXNKBYBFZIL-UHFFFAOYSA-N 1 1 312.442 3.439 1 0 DGAFMO CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3[nH+]ccn3C2)c1 ZINC000040395829 183060798 /nfs/dbraw/zinc/06/07/98/183060798.db2.gz PIDATBLWKGYAEW-MRXNPFEDSA-N 1 1 317.392 3.250 1 0 DGAFMO COc1cccc(N(C)c2[nH+]c(N)nc3[nH]c4ccccc4c32)c1 ZINC000059184181 184135254 /nfs/dbraw/zinc/13/52/54/184135254.db2.gz PASNZHQENJBTJW-UHFFFAOYSA-N 1 1 319.368 3.470 1 0 DGAFMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000095552833 185379132 /nfs/dbraw/zinc/37/91/32/185379132.db2.gz IGHVFLGMYLDPDV-XLIONFOSSA-N 1 1 322.452 3.175 1 0 DGAFMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000095552833 185379133 /nfs/dbraw/zinc/37/91/33/185379133.db2.gz IGHVFLGMYLDPDV-XLIONFOSSA-N 1 1 322.452 3.175 1 0 DGAFMO COc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC(C)C)[N@H+]3C)cc1 ZINC000082153927 192362410 /nfs/dbraw/zinc/36/24/10/192362410.db2.gz FZOYELFHFXKPHX-HPBDAGMYSA-N 1 1 317.429 3.213 1 0 DGAFMO O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CC[N@@H+](CC2CC2)C3)C1 ZINC000072170728 191068098 /nfs/dbraw/zinc/06/80/98/191068098.db2.gz URRUFILTYRZJKZ-VQTJNVASSA-N 1 1 311.425 3.041 1 0 DGAFMO O=C(N[C@H]1C[NH+]2CCC1CC2)C(c1ccccc1)c1ccccc1 ZINC000005998960 181305031 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