smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+]1CC[C@@H](CN(C)c2cc(=O)[nH]cn2)C1 ZINC000821246015 925575122 /nfs/dbraw/zinc/57/51/22/925575122.db2.gz GWZGANPOVZPNQK-LBPRGKRZSA-N 1 1 264.373 1.596 50 0 CDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1cc(N)ccn1 ZINC000827577759 925948705 /nfs/dbraw/zinc/94/87/05/925948705.db2.gz FTCDFIVMBALPDA-UHFFFAOYSA-N 1 1 287.367 1.804 50 0 CDAAMO Cc1c[nH+]c(CCNS(=O)(=O)C(C)C)n1C1CC1 ZINC000581815478 927205367 /nfs/dbraw/zinc/20/53/67/927205367.db2.gz KLGLXJAODTWUDI-UHFFFAOYSA-N 1 1 271.386 1.397 50 0 CDAAMO COc1cccc([C@@H](C)[N@@H+](C)CCn2cnnc2)c1 ZINC001529189140 969009958 /nfs/dbraw/zinc/00/99/58/969009958.db2.gz IGKWRYPIIGXHRA-GFCCVEGCSA-N 1 1 260.341 1.980 50 0 CDAAMO CC(=O)NC(C)(C)C[C@H](C)[N@H+](C)Cc1nc(C)c[nH]1 ZINC001506396539 975148293 /nfs/dbraw/zinc/14/82/93/975148293.db2.gz KLBYPGBLQIBWEB-NSHDSACASA-N 1 1 266.389 1.843 50 0 CDAAMO CC(=O)NC(C)(C)C[C@H](C)[N@@H+](C)Cc1nc(C)c[nH]1 ZINC001506396539 975148297 /nfs/dbraw/zinc/14/82/97/975148297.db2.gz KLBYPGBLQIBWEB-NSHDSACASA-N 1 1 266.389 1.843 50 0 CDAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCc2nccn2C)C1 ZINC001506408338 975152849 /nfs/dbraw/zinc/15/28/49/975152849.db2.gz RQDRUWANHBIPRO-CYBMUJFWSA-N 1 1 262.401 1.521 50 0 CDAAMO CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H](C)C2)CC1 ZINC001506408383 975153338 /nfs/dbraw/zinc/15/33/38/975153338.db2.gz RVYOBOLXVCJWMS-CQSZACIVSA-N 1 1 281.444 1.566 50 0 CDAAMO O=C(CN1CCC[N@H+]2CCC[C@H]2C1)NCC1CCCCC1 ZINC001506424841 975159342 /nfs/dbraw/zinc/15/93/42/975159342.db2.gz NTMRFMYUZBODJR-INIZCTEOSA-N 1 1 293.455 1.853 50 0 CDAAMO CC(C)[N@@H+]1CCO[C@H](Cc2nc(-c3cccnn3)no2)C1 ZINC000095526785 185003768 /nfs/dbraw/zinc/00/37/68/185003768.db2.gz IBHIHWYBZGDSLX-LLVKDONJSA-N 1 1 289.339 1.178 50 0 CDAAMO CC(C)[N@H+]1CCO[C@H](Cc2nc(-c3cccnn3)no2)C1 ZINC000095526785 185003770 /nfs/dbraw/zinc/00/37/70/185003770.db2.gz IBHIHWYBZGDSLX-LLVKDONJSA-N 1 1 289.339 1.178 50 0 CDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCc2cnn(C)c2)C1 ZINC000095524929 185004046 /nfs/dbraw/zinc/00/40/46/185004046.db2.gz LADPOYKDNPPWRU-HNNXBMFYSA-N 1 1 292.427 1.589 50 0 CDAAMO CO[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC000243893794 361828599 /nfs/dbraw/zinc/82/85/99/361828599.db2.gz AUIAWZJZVMPAMX-OAHLLOKOSA-N 1 1 276.380 1.674 50 0 CDAAMO CO[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000243893794 361828605 /nfs/dbraw/zinc/82/86/05/361828605.db2.gz AUIAWZJZVMPAMX-OAHLLOKOSA-N 1 1 276.380 1.674 50 0 CDAAMO CCNc1cc[nH+]c(N[C@H](CC)[C@H]2C[C@@H](O)C2)n1 ZINC000244594330 361853650 /nfs/dbraw/zinc/85/36/50/361853650.db2.gz DLBDDVYPRNBNRA-OUAUKWLOSA-N 1 1 250.346 1.870 50 0 CDAAMO C[NH+](C)C[C@H]1COCCN(Cc2cc(C(C)(C)C)[nH]n2)C1 ZINC000072144597 282141591 /nfs/dbraw/zinc/14/15/91/282141591.db2.gz BXGDHFFOESMHPS-CYBMUJFWSA-N 1 1 294.443 1.717 50 0 CDAAMO C[C@@H](Cc1cnccn1)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000244741844 361859889 /nfs/dbraw/zinc/85/98/89/361859889.db2.gz NXWPQPWSDOYGRQ-AWEZNQCLSA-N 1 1 298.390 1.656 50 0 CDAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000244741844 361859893 /nfs/dbraw/zinc/85/98/93/361859893.db2.gz NXWPQPWSDOYGRQ-AWEZNQCLSA-N 1 1 298.390 1.656 50 0 CDAAMO Cc1cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)ccc1F ZINC000585141074 342219061 /nfs/dbraw/zinc/21/90/61/342219061.db2.gz OTFMZKCDMWIPIW-SECBINFHSA-N 1 1 264.304 1.819 50 0 CDAAMO O=C1NC2(CCCCCC2)C(=O)N1C[NH+]1CCCC1 ZINC000056552561 539160790 /nfs/dbraw/zinc/16/07/90/539160790.db2.gz OWJIQTCBRYKSPF-UHFFFAOYSA-N 1 1 265.357 1.685 50 0 CDAAMO Cc1cc(CN2CC[N@H+](C)C[C@H]2CO)ccc1F ZINC000585117054 362045522 /nfs/dbraw/zinc/04/55/22/362045522.db2.gz PXRXUJKRAKHRTN-ZDUSSCGKSA-N 1 1 252.333 1.242 50 0 CDAAMO O=C(NCCc1ccccn1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000585121546 362052187 /nfs/dbraw/zinc/05/21/87/362052187.db2.gz RWQZPCRVBOCEJQ-OAHLLOKOSA-N 1 1 273.380 1.757 50 0 CDAAMO CCc1cccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000187157584 362336723 /nfs/dbraw/zinc/33/67/23/362336723.db2.gz CNRJWGMXCCUGPC-LLVKDONJSA-N 1 1 268.382 1.231 50 0 CDAAMO Cn1ccc(NC(=O)C[N@@H+](C)CCC[C@@H]2CCCO2)n1 ZINC000252494894 362388585 /nfs/dbraw/zinc/38/85/85/362388585.db2.gz OHOIZBDHGWEJCS-GFCCVEGCSA-N 1 1 280.372 1.250 50 0 CDAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000073555707 349169869 /nfs/dbraw/zinc/16/98/69/349169869.db2.gz RVUFXLSTCCLTNI-ZDUSSCGKSA-N 1 1 291.395 1.596 50 0 CDAAMO Cc1cc(O)ccc1C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000584884532 349342262 /nfs/dbraw/zinc/34/22/62/349342262.db2.gz KCAHCGUXJJIEPS-CYBMUJFWSA-N 1 1 292.379 1.135 50 0 CDAAMO Cc1[nH]ccc1C(=O)N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000584886662 349344598 /nfs/dbraw/zinc/34/45/98/349344598.db2.gz KTPWCUGHDOEFRS-AWEZNQCLSA-N 1 1 293.411 1.488 50 0 CDAAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)Cc2ccncc2)C1 ZINC000584886683 349344883 /nfs/dbraw/zinc/34/48/83/349344883.db2.gz QCUIJVOUOQVVPC-HNNXBMFYSA-N 1 1 291.395 1.051 50 0 CDAAMO c1cc(-c2nnc(C[NH2+][C@@H]3CCCOC3)[nH]2)ccn1 ZINC000584896936 349358325 /nfs/dbraw/zinc/35/83/25/349358325.db2.gz LNDRJMFVQQAUDR-LLVKDONJSA-N 1 1 259.313 1.135 50 0 CDAAMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000089941294 179888167 /nfs/dbraw/zinc/88/81/67/179888167.db2.gz QXAZDGUEJCBGOK-RISCZKNCSA-N 1 1 296.342 1.236 50 0 CDAAMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000089941294 179888171 /nfs/dbraw/zinc/88/81/71/179888171.db2.gz QXAZDGUEJCBGOK-RISCZKNCSA-N 1 1 296.342 1.236 50 0 CDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCC3(CCCC3)C2)C1 ZINC000584891324 349350243 /nfs/dbraw/zinc/35/02/43/349350243.db2.gz MCALXDFCDFLZOS-CQSZACIVSA-N 1 1 280.412 1.747 50 0 CDAAMO CC[N@H+]1CCCN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 ZINC000584897651 349358865 /nfs/dbraw/zinc/35/88/65/349358865.db2.gz LKFZFFICOFQCGL-ZDUSSCGKSA-N 1 1 267.373 1.342 50 0 CDAAMO Cc1[nH+]ccn1CCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000091452370 180159771 /nfs/dbraw/zinc/15/97/71/180159771.db2.gz WILIOIDXEHEBBP-AWEZNQCLSA-N 1 1 299.374 1.949 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](CO)CC[C@H]2C1 ZINC000104850035 186028906 /nfs/dbraw/zinc/02/89/06/186028906.db2.gz UKFJLHLYPJBMCY-NEPJUHHUSA-N 1 1 270.373 1.310 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](CO)CC[C@H]2C1 ZINC000104850035 186028907 /nfs/dbraw/zinc/02/89/07/186028907.db2.gz UKFJLHLYPJBMCY-NEPJUHHUSA-N 1 1 270.373 1.310 50 0 CDAAMO Cc1nc(C)c(C)c(NCCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000091782393 180253654 /nfs/dbraw/zinc/25/36/54/180253654.db2.gz MGDBDEZDMWGGEJ-HNNXBMFYSA-N 1 1 292.427 1.908 50 0 CDAAMO Cc1ncnc(NCCC[N@H+]2CCCC[C@@H]2CO)c1C ZINC000091781034 180253967 /nfs/dbraw/zinc/25/39/67/180253967.db2.gz YJBRXXQFSCNQRV-CQSZACIVSA-N 1 1 278.400 1.742 50 0 CDAAMO CN1CCO[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC000105472299 186059867 /nfs/dbraw/zinc/05/98/67/186059867.db2.gz XMODGODUVAHOAA-SNVBAGLBSA-N 1 1 256.296 1.385 50 0 CDAAMO CCN1CC2(CCC1=O)CC[NH+](Cc1nonc1C)CC2 ZINC000091943814 180290065 /nfs/dbraw/zinc/29/00/65/180290065.db2.gz FAJPIQNEITYGOQ-UHFFFAOYSA-N 1 1 292.383 1.603 50 0 CDAAMO O=C1c2ccccc2C(=O)N1CC[NH+]1CCSCC1 ZINC000034300411 363204913 /nfs/dbraw/zinc/20/49/13/363204913.db2.gz NEBRDMZOIILQAF-UHFFFAOYSA-N 1 1 276.361 1.331 50 0 CDAAMO CCSCC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411959285 363388339 /nfs/dbraw/zinc/38/83/39/363388339.db2.gz CXSNFELNKOZYTF-OAHLLOKOSA-N 1 1 278.421 1.869 50 0 CDAAMO CC[NH+]1CCN(C(=S)NC2CCCCC2)CC1 ZINC000000300300 355902231 /nfs/dbraw/zinc/90/22/31/355902231.db2.gz BQKYQSGUAPESBC-UHFFFAOYSA-N 1 1 255.431 1.831 50 0 CDAAMO CS(=O)(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000019572536 356492524 /nfs/dbraw/zinc/49/25/24/356492524.db2.gz JAYYNBLWJWBFPR-UHFFFAOYSA-N 1 1 282.409 1.196 50 0 CDAAMO CC(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000026483242 356694295 /nfs/dbraw/zinc/69/42/95/356694295.db2.gz VXETXLFIGGPGCL-LBPRGKRZSA-N 1 1 295.408 1.137 50 0 CDAAMO COCC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025939159 356685596 /nfs/dbraw/zinc/68/55/96/356685596.db2.gz ABILSTNWWBGOOK-GFCCVEGCSA-N 1 1 262.353 1.196 50 0 CDAAMO [NH3+]Cc1nc(Cc2ccc(Br)cc2)no1 ZINC000036925366 356891367 /nfs/dbraw/zinc/89/13/67/356891367.db2.gz YKGGVKFIYPVICX-UHFFFAOYSA-N 1 1 268.114 1.882 50 0 CDAAMO Cc1cccc([C@@H](C(=O)NCCn2ccnc2)[NH+](C)C)c1 ZINC000065375900 357533302 /nfs/dbraw/zinc/53/33/02/357533302.db2.gz OBHYCEHWQVZHMT-HNNXBMFYSA-N 1 1 286.379 1.611 50 0 CDAAMO CCSCC[N@@H+]1CC=C(c2cnn(CCO)c2)CC1 ZINC000065388099 357535145 /nfs/dbraw/zinc/53/51/45/357535145.db2.gz XFEMKNDPNXXPNO-UHFFFAOYSA-N 1 1 281.425 1.718 50 0 CDAAMO CCC[N@@H+](CCS(C)(=O)=O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000106931424 283267045 /nfs/dbraw/zinc/26/70/45/283267045.db2.gz SIIXLNPVAHEELN-CHWSQXEVSA-N 1 1 291.457 1.947 50 0 CDAAMO C[NH+]1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000065488701 357544625 /nfs/dbraw/zinc/54/46/25/357544625.db2.gz NSOWJOSOJRRSOK-UHFFFAOYSA-N 1 1 252.333 1.888 50 0 CDAAMO CC(C)SCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000067743106 357623358 /nfs/dbraw/zinc/62/33/58/357623358.db2.gz GQORYJLATHQZQL-GFCCVEGCSA-N 1 1 258.431 1.976 50 0 CDAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC000068494986 357649260 /nfs/dbraw/zinc/64/92/60/357649260.db2.gz GNTJUYUKRZZUCJ-LLVKDONJSA-N 1 1 268.382 1.446 50 0 CDAAMO OC[C@@]1(O)CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000072430623 357835129 /nfs/dbraw/zinc/83/51/29/357835129.db2.gz WAQNQLRSSHSXSV-MRXNPFEDSA-N 1 1 287.363 1.396 50 0 CDAAMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000097082973 357945826 /nfs/dbraw/zinc/94/58/26/357945826.db2.gz ZHMOWTRATIEDCY-DZGCQCFKSA-N 1 1 260.337 1.857 50 0 CDAAMO C[C@H](C(=O)N(C)CC1(O)CCCC1)[NH+]1CCSCC1 ZINC000097229576 358043975 /nfs/dbraw/zinc/04/39/75/358043975.db2.gz MBGMXTATSZVINL-GFCCVEGCSA-N 1 1 286.441 1.187 50 0 CDAAMO Cc1cccc(N2C[C@H](C)N(C(=O)C[NH+](C)C)CC2=O)c1 ZINC000082136744 358149049 /nfs/dbraw/zinc/14/90/49/358149049.db2.gz BQVFFGJFYVIVEY-ZDUSSCGKSA-N 1 1 289.379 1.120 50 0 CDAAMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000084075724 358224136 /nfs/dbraw/zinc/22/41/36/358224136.db2.gz HBAAEEGJZNUOAT-ZDUSSCGKSA-N 1 1 286.379 1.601 50 0 CDAAMO CCCCc1c(C)nc(N)nc1N1CC[C@H]([NH+](C)C)C1 ZINC000091690428 358522280 /nfs/dbraw/zinc/52/22/80/358522280.db2.gz CZRSZPVWEHGANE-LBPRGKRZSA-N 1 1 277.416 1.850 50 0 CDAAMO Cc1cc(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)[nH]n1 ZINC000095368051 358686986 /nfs/dbraw/zinc/68/69/86/358686986.db2.gz QNODTMNRNICEBU-AWEZNQCLSA-N 1 1 290.342 1.776 50 0 CDAAMO Cc1nonc1OCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095372922 358688452 /nfs/dbraw/zinc/68/84/52/358688452.db2.gz NPGDANDYTQCBKH-LBPRGKRZSA-N 1 1 296.371 1.138 50 0 CDAAMO CC(C)(C)c1cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)[nH]n1 ZINC000095374109 358688621 /nfs/dbraw/zinc/68/86/21/358688621.db2.gz FLUGCTBXCCMZCZ-LLVKDONJSA-N 1 1 288.399 1.814 50 0 CDAAMO CC[C@@H]1CN(c2nccnc2OC)CC[N@H+]1C(C)C ZINC000096149745 358709603 /nfs/dbraw/zinc/70/96/03/358709603.db2.gz VNXUIWLQGXMROP-GFCCVEGCSA-N 1 1 264.373 1.794 50 0 CDAAMO COc1cc(C[N@@H+](C)C[C@H]2COCCO2)cc2c1OCO2 ZINC000097522344 358781636 /nfs/dbraw/zinc/78/16/36/358781636.db2.gz PTODDMSBJRHPEX-LBPRGKRZSA-N 1 1 295.335 1.271 50 0 CDAAMO Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)s1 ZINC000097553432 358785183 /nfs/dbraw/zinc/78/51/83/358785183.db2.gz BUMFOLGABDBWJE-KBPBESRZSA-N 1 1 266.410 1.697 50 0 CDAAMO Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)s1 ZINC000097553432 358785185 /nfs/dbraw/zinc/78/51/85/358785185.db2.gz BUMFOLGABDBWJE-KBPBESRZSA-N 1 1 266.410 1.697 50 0 CDAAMO Cc1n[nH]c(CCC(=O)NCCc2cnc[nH]2)c1C ZINC000097655514 358790158 /nfs/dbraw/zinc/79/01/58/358790158.db2.gz WGVMEGJJLASZRL-UHFFFAOYSA-N 1 1 261.329 1.041 50 0 CDAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000097675481 358792666 /nfs/dbraw/zinc/79/26/66/358792666.db2.gz CKUGCDUQQNCSNU-CYBMUJFWSA-N 1 1 276.384 1.600 50 0 CDAAMO CCOCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000120360496 358797084 /nfs/dbraw/zinc/79/70/84/358797084.db2.gz PQPJAPNGWKOWFU-CYBMUJFWSA-N 1 1 278.400 1.830 50 0 CDAAMO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1Cl ZINC000095454170 358857444 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50 0 CDAAMO CC(C)COCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000096499715 528096737 /nfs/dbraw/zinc/09/67/37/528096737.db2.gz VQLPYPQRMKTEMR-GJZGRUSLSA-N 1 1 297.443 1.785 50 0 CDAAMO CCNc1cc[nH+]c(N2CCO[C@H](CCOC)C2)n1 ZINC000065536299 535527676 /nfs/dbraw/zinc/52/76/76/535527676.db2.gz MHAQKMWZHAZFMV-LLVKDONJSA-N 1 1 266.345 1.150 50 0 CDAAMO CC1(C(=O)NCC2CCN(c3nc(N)cc[nH+]3)CC2)CC1 ZINC000952982068 614463303 /nfs/dbraw/zinc/46/33/03/614463303.db2.gz LBZIAGBRBBXWMK-UHFFFAOYSA-N 1 1 289.383 1.192 50 0 CDAAMO CCN(C)C(=O)[C@@]1([NH+](C)C)COc2ccccc2C1 ZINC000952993653 614846801 /nfs/dbraw/zinc/84/68/01/614846801.db2.gz JTOUKVQLPZYMBM-HNNXBMFYSA-N 1 1 262.353 1.400 50 0 CDAAMO COCC[C@]1(CO)CCC[N@@H+](CC2CCOCC2)C1 ZINC000091951912 679717653 /nfs/dbraw/zinc/71/76/53/679717653.db2.gz KYAGLHBTYHAIKG-OAHLLOKOSA-N 1 1 271.401 1.524 50 0 CDAAMO Cc1cccc(CNCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000952975057 682550611 /nfs/dbraw/zinc/55/06/11/682550611.db2.gz NWRSFECDFSVAGA-AWEZNQCLSA-N 1 1 263.385 1.184 50 0 CDAAMO CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC001001265498 683571824 /nfs/dbraw/zinc/57/18/24/683571824.db2.gz TZUQJWFDMKBMEG-INIZCTEOSA-N 1 1 293.455 1.875 50 0 CDAAMO C[C@@H]1CCCC[N@H+]1CCN(C)S(=O)(=O)N1CCCC1 ZINC000952962189 683584678 /nfs/dbraw/zinc/58/46/78/683584678.db2.gz BSEFEVZYKCEHEI-CYBMUJFWSA-N 1 1 289.445 1.133 50 0 CDAAMO COc1ccc(-c2cc(N)nc(N)[nH+]2)c2cccnc12 ZINC000426405479 683716909 /nfs/dbraw/zinc/71/69/09/683716909.db2.gz IWBALRZWFMXWRE-UHFFFAOYSA-N 1 1 267.292 1.526 50 0 CDAAMO OC[C@@]12C[NH2+]C[C@H]1CN(CCC1CCCCCC1)C2 ZINC001772707455 1159441475 /nfs/dbraw/zinc/44/14/75/1159441475.db2.gz SXFYLWIQYRJDBJ-HOTGVXAUSA-N 1 1 266.429 1.861 50 0 CDAAMO Cc1n[nH]c(C)c1CC[N@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC001704351497 1177698743 /nfs/dbraw/zinc/69/87/43/1177698743.db2.gz YEGWRRZZNUHTOE-ZDUSSCGKSA-N 1 1 292.427 1.948 50 0 CDAAMO COCCn1ccnc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001704357568 1177700654 /nfs/dbraw/zinc/70/06/54/1177700654.db2.gz URBDVKWOABWQMC-CYBMUJFWSA-N 1 1 289.383 1.632 50 0 CDAAMO COCCn1ccnc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001704357568 1177700657 /nfs/dbraw/zinc/70/06/57/1177700657.db2.gz URBDVKWOABWQMC-CYBMUJFWSA-N 1 1 289.383 1.632 50 0 CDAAMO COCCn1ccnc1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001704357568 1177700662 /nfs/dbraw/zinc/70/06/62/1177700662.db2.gz URBDVKWOABWQMC-CYBMUJFWSA-N 1 1 289.383 1.632 50 0 CDAAMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2c(C)n[nH]c2C)C1 ZINC000585081779 902237618 /nfs/dbraw/zinc/23/76/18/902237618.db2.gz AJTYQFPLEKLUCZ-LLVKDONJSA-N 1 1 265.361 1.584 50 0 CDAAMO CCCCCOCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000585128846 902295875 /nfs/dbraw/zinc/29/58/75/902295875.db2.gz PCDJFVFWJZGOFK-IYBDPMFKSA-N 1 1 282.428 1.993 50 0 CDAAMO C/C=C/C[N@H+]1CCC[C@H](CNC(=O)CCn2cnnc2)C1 ZINC000820394975 925521920 /nfs/dbraw/zinc/52/19/20/925521920.db2.gz PGKNBIKMWYSBNN-BAABZTOOSA-N 1 1 291.399 1.073 50 0 CDAAMO Cc1nncn1CC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000825297049 925862670 /nfs/dbraw/zinc/86/26/70/925862670.db2.gz NIBYSASWGVONFJ-GFCCVEGCSA-N 1 1 252.362 1.069 50 0 CDAAMO Cc1nc(N)nc(NCC[N@H+]2CCC[C@@H](CO)C2)c1Cl ZINC000828711179 926169148 /nfs/dbraw/zinc/16/91/48/926169148.db2.gz NGYZSOLDPQHTBH-SNVBAGLBSA-N 1 1 299.806 1.137 50 0 CDAAMO CC[C@H]1C(=O)NCC[N@H+]1CC1CN(C(=O)OC(C)(C)C)C1 ZINC000585079862 930850944 /nfs/dbraw/zinc/85/09/44/930850944.db2.gz BQPSIXMVIYEJKL-LBPRGKRZSA-N 1 1 297.399 1.064 50 0 CDAAMO CC[C@H]1C(=O)NCC[N@@H+]1CC1CN(C(=O)OC(C)(C)C)C1 ZINC000585079862 930850948 /nfs/dbraw/zinc/85/09/48/930850948.db2.gz BQPSIXMVIYEJKL-LBPRGKRZSA-N 1 1 297.399 1.064 50 0 CDAAMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(C)sn2)C[C@@H]1C ZINC000585089857 930917725 /nfs/dbraw/zinc/91/77/25/930917725.db2.gz PMUIJWBHMNMLTN-PHIMTYICSA-N 1 1 297.424 1.633 50 0 CDAAMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(C)sn2)C[C@@H]1C ZINC000585089857 930917732 /nfs/dbraw/zinc/91/77/32/930917732.db2.gz PMUIJWBHMNMLTN-PHIMTYICSA-N 1 1 297.424 1.633 50 0 CDAAMO C[C@@H]1C[C@H](C(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)CC(C)(C)C1 ZINC000585089872 930918410 /nfs/dbraw/zinc/91/84/10/930918410.db2.gz VPNIYRRIJAURCQ-IPYPFGDCSA-N 1 1 294.439 1.726 50 0 CDAAMO C[C@@H]1C[C@H](C(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)CC(C)(C)C1 ZINC000585089872 930918417 /nfs/dbraw/zinc/91/84/17/930918417.db2.gz VPNIYRRIJAURCQ-IPYPFGDCSA-N 1 1 294.439 1.726 50 0 CDAAMO CN(C)c1[nH+]cc(CN2c3ccccc3C[C@H]2CO)n1C ZINC000585116748 930969888 /nfs/dbraw/zinc/96/98/88/930969888.db2.gz HFAWAMCTJOVFGP-ZDUSSCGKSA-N 1 1 286.379 1.410 50 0 CDAAMO CC(C)(C)NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000585138217 931031874 /nfs/dbraw/zinc/03/18/74/931031874.db2.gz WLBREXUJCRCRPY-UHFFFAOYSA-N 1 1 265.357 1.769 50 0 CDAAMO CNc1nc(NCCCn2cc[nH+]c2C)ncc1F ZINC001529155083 968997414 /nfs/dbraw/zinc/99/74/14/968997414.db2.gz NPXYXVQGFWVMGQ-UHFFFAOYSA-N 1 1 264.308 1.665 50 0 CDAAMO Cn1ccnc1CC[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC001506402447 975150464 /nfs/dbraw/zinc/15/04/64/975150464.db2.gz NOXRADWJASNUSB-GFCCVEGCSA-N 1 1 287.367 1.338 50 0 CDAAMO CN(C)C(=O)CN1CCC[N@@H+](CCCC(F)(F)F)CC1 ZINC001506407157 975151533 /nfs/dbraw/zinc/15/15/33/975151533.db2.gz OUYLCJYHFIUPDD-UHFFFAOYSA-N 1 1 295.349 1.425 50 0 CDAAMO CN(C)C(=O)C[N@@H+]1CCCN(CCCC(F)(F)F)CC1 ZINC001506407157 975151534 /nfs/dbraw/zinc/15/15/34/975151534.db2.gz OUYLCJYHFIUPDD-UHFFFAOYSA-N 1 1 295.349 1.425 50 0 CDAAMO CN(C)C(=O)C[N@H+]1CCCN(CCCC(F)(F)F)CC1 ZINC001506407157 975151536 /nfs/dbraw/zinc/15/15/36/975151536.db2.gz OUYLCJYHFIUPDD-UHFFFAOYSA-N 1 1 295.349 1.425 50 0 CDAAMO CC[N@H+](Cc1cncn1CCOC)C[C@H]1CCCO1 ZINC001506416683 975155416 /nfs/dbraw/zinc/15/54/16/975155416.db2.gz FROJLLHMTILUKJ-CQSZACIVSA-N 1 1 267.373 1.530 50 0 CDAAMO Cc1cc(N(CCO)Cc2cccnc2)nc(C)[nH+]1 ZINC000096456228 230377295 /nfs/dbraw/zinc/37/72/95/230377295.db2.gz OBULIVXJNUMMAU-UHFFFAOYSA-N 1 1 258.325 1.487 50 0 CDAAMO C[C@@H](C(=O)N1CCC[C@H]1CO)[N@@H+]1CCc2ccccc2C1 ZINC000125147992 187171950 /nfs/dbraw/zinc/17/19/50/187171950.db2.gz IUOAYNGQMAJONP-BBRMVZONSA-N 1 1 288.391 1.417 50 0 CDAAMO C[C@@H](C(=O)N1CCC[C@H]1CO)[N@H+]1CCc2ccccc2C1 ZINC000125147992 187171951 /nfs/dbraw/zinc/17/19/51/187171951.db2.gz IUOAYNGQMAJONP-BBRMVZONSA-N 1 1 288.391 1.417 50 0 CDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1 ZINC000089938151 539087627 /nfs/dbraw/zinc/08/76/27/539087627.db2.gz VGOVOVIXMRESRJ-CYBMUJFWSA-N 1 1 261.369 1.575 50 0 CDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccccc1 ZINC000089938151 539087628 /nfs/dbraw/zinc/08/76/28/539087628.db2.gz VGOVOVIXMRESRJ-CYBMUJFWSA-N 1 1 261.369 1.575 50 0 CDAAMO Cc1nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000096131700 185104913 /nfs/dbraw/zinc/10/49/13/185104913.db2.gz KABPQCSLSZBRHY-LLVKDONJSA-N 1 1 265.382 1.762 50 0 CDAAMO Cc1nc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000096131700 185104914 /nfs/dbraw/zinc/10/49/14/185104914.db2.gz KABPQCSLSZBRHY-LLVKDONJSA-N 1 1 265.382 1.762 50 0 CDAAMO Cc1nn(C)c2nc(NCCc3[nH+]ccn3C)sc12 ZINC000096141261 185106396 /nfs/dbraw/zinc/10/63/96/185106396.db2.gz ZHGVXJNYDDQDAS-UHFFFAOYSA-N 1 1 276.369 1.726 50 0 CDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CC(c3nccs3)C2)C1 ZINC000243902100 361831188 /nfs/dbraw/zinc/83/11/88/361831188.db2.gz BFZZHWTYUZAZBN-LLVKDONJSA-N 1 1 295.408 1.037 50 0 CDAAMO CCOCCNC(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000244646926 361855745 /nfs/dbraw/zinc/85/57/45/361855745.db2.gz GRUWOPRBRHXGPV-AWEZNQCLSA-N 1 1 294.351 1.171 50 0 CDAAMO C[C@@H]1C[N@H+](Cc2nnc(-c3cccnc3)o2)CCCO1 ZINC000244678872 361857337 /nfs/dbraw/zinc/85/73/37/361857337.db2.gz ILQKFAFHBIERBL-LLVKDONJSA-N 1 1 274.324 1.742 50 0 CDAAMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccnc3)o2)CCCO1 ZINC000244678872 361857340 /nfs/dbraw/zinc/85/73/40/361857340.db2.gz ILQKFAFHBIERBL-LLVKDONJSA-N 1 1 274.324 1.742 50 0 CDAAMO Cc1ccccc1OCCC[N@H+](C)CCn1cc[nH]c1=O ZINC000244899439 361869312 /nfs/dbraw/zinc/86/93/12/361869312.db2.gz ZJZGQDQMHSYRER-UHFFFAOYSA-N 1 1 289.379 1.886 50 0 CDAAMO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1nc2cccnc2s1 ZINC000440943593 361952639 /nfs/dbraw/zinc/95/26/39/361952639.db2.gz ZBGSUDQASNLVLX-UHEDFLHXSA-N 1 1 287.388 1.892 50 0 CDAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)cc(F)c1 ZINC000058368282 539161048 /nfs/dbraw/zinc/16/10/48/539161048.db2.gz DJGNYVXWWYTLQX-KGLIPLIRSA-N 1 1 296.317 1.558 50 0 CDAAMO CCCCCc1c(O)nc(SCC[NH+](C)C)[nH]c1=O ZINC000018029480 365693974 /nfs/dbraw/zinc/69/39/74/365693974.db2.gz RQGAPHQJIHYAOZ-UHFFFAOYSA-N 1 1 285.413 1.862 50 0 CDAAMO O=C(NCc1nccs1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000585121402 362041988 /nfs/dbraw/zinc/04/19/88/362041988.db2.gz OKLNXAMTJRUPLD-NSHDSACASA-N 1 1 265.382 1.776 50 0 CDAAMO O=C(NCc1nccs1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000585121402 362041992 /nfs/dbraw/zinc/04/19/92/362041992.db2.gz OKLNXAMTJRUPLD-NSHDSACASA-N 1 1 265.382 1.776 50 0 CDAAMO NC(=O)c1cccc(C[N@H+]2CCCSCC2)c1 ZINC000089980174 362324951 /nfs/dbraw/zinc/32/49/51/362324951.db2.gz PKXVKUOBIGTCAP-UHFFFAOYSA-N 1 1 250.367 1.724 50 0 CDAAMO COc1ccc2c(CC(=O)NCC(F)(F)C[NH3+])coc2c1 ZINC000190221422 362357764 /nfs/dbraw/zinc/35/77/64/362357764.db2.gz FQGOJWSXPHIDHK-UHFFFAOYSA-N 1 1 298.289 1.694 50 0 CDAAMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036446857 348747244 /nfs/dbraw/zinc/74/72/44/348747244.db2.gz YOVRCEQNLOHWNK-SRVKXCTJSA-N 1 1 267.373 1.343 50 0 CDAAMO CC(C)[C@@H](c1[nH+]ccn1C)n1cnc2cnccc2c1=O ZINC000584896094 349357319 /nfs/dbraw/zinc/35/73/19/349357319.db2.gz ZZNOYGGKDFEVQW-ZDUSSCGKSA-N 1 1 283.335 1.770 50 0 CDAAMO CN(CCC[NH+]1CCOCC1)C(=O)[C@]1(C)CCCCO1 ZINC000584885002 349343057 /nfs/dbraw/zinc/34/30/57/349343057.db2.gz TYLZGZHSWDNZDE-HNNXBMFYSA-N 1 1 284.400 1.126 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000091382216 180144271 /nfs/dbraw/zinc/14/42/71/180144271.db2.gz SYTMIONJESNPHE-MRXNPFEDSA-N 1 1 291.395 1.865 50 0 CDAAMO CCNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000110597194 350182645 /nfs/dbraw/zinc/18/26/45/350182645.db2.gz MIXBMOITUKGJIA-CHWSQXEVSA-N 1 1 271.405 1.443 50 0 CDAAMO Cc1[nH+]cn(CC(=O)NC[C@@H]2COc3ccccc3C2)c1C ZINC000091872516 180278019 /nfs/dbraw/zinc/27/80/19/180278019.db2.gz HZJHAOASKULERI-CQSZACIVSA-N 1 1 299.374 1.867 50 0 CDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2csc(C)c2)C[C@@H]1CO ZINC000092020217 180307924 /nfs/dbraw/zinc/30/79/24/180307924.db2.gz MGUCIIXTFQVHQA-ZIAGYGMSSA-N 1 1 296.436 1.689 50 0 CDAAMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cncc(F)c1 ZINC000106911720 186149712 /nfs/dbraw/zinc/14/97/12/186149712.db2.gz WIQUMFIORPANAY-JQWIXIFHSA-N 1 1 299.371 1.078 50 0 CDAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nccs1 ZINC000095373352 351395548 /nfs/dbraw/zinc/39/55/48/351395548.db2.gz OOYUVVOUFPWSRR-SNVBAGLBSA-N 1 1 255.387 1.425 50 0 CDAAMO C[N@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000122528556 187037153 /nfs/dbraw/zinc/03/71/53/187037153.db2.gz HSRYAQWTUWNIRM-MJBXVCDLSA-N 1 1 268.401 1.528 50 0 CDAAMO CCN(Cc1ccncc1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000065463888 363285321 /nfs/dbraw/zinc/28/53/21/363285321.db2.gz LASJTZCJOQFLSF-UHFFFAOYSA-N 1 1 290.411 1.068 50 0 CDAAMO COC(=O)CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000089400827 291028449 /nfs/dbraw/zinc/02/84/49/291028449.db2.gz NZLDYWYAGNAYSY-ZDUSSCGKSA-N 1 1 276.336 1.113 50 0 CDAAMO Cc1ccccc1NC(=O)[C@@H]1C=C(O)NC(=[NH2+])S1 ZINC000000177085 355893356 /nfs/dbraw/zinc/89/33/56/355893356.db2.gz WUJOOPJVUGGTQP-VIFPVBQESA-N 1 1 263.322 1.280 50 0 CDAAMO COc1cccc(OCCOCC[N@@H+](C)CCO)c1 ZINC000002981076 355989563 /nfs/dbraw/zinc/98/95/63/355989563.db2.gz UEQMKSDUDWCCLN-UHFFFAOYSA-N 1 1 269.341 1.015 50 0 CDAAMO COC(=O)C[N@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000095416640 291080091 /nfs/dbraw/zinc/08/00/91/291080091.db2.gz KRCBIIGHHFUMGY-CYBMUJFWSA-N 1 1 255.358 1.973 50 0 CDAAMO COC(=O)C[N@@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000095416640 291080093 /nfs/dbraw/zinc/08/00/93/291080093.db2.gz KRCBIIGHHFUMGY-CYBMUJFWSA-N 1 1 255.358 1.973 50 0 CDAAMO CCOC(=O)C1=C(O)[NH+]=C(N2CCCCC2)N[C@@H]1C(C)C ZINC000002441150 355969834 /nfs/dbraw/zinc/96/98/34/355969834.db2.gz QCAZAEYHWCNBBL-NWDGAFQWSA-N 1 1 295.383 1.162 50 0 CDAAMO C[C@H](CNC(=O)[C@H]1CC=CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828380 356383192 /nfs/dbraw/zinc/38/31/92/356383192.db2.gz PFUMOTIAFCIVSI-TUVASFSCSA-N 1 1 280.412 1.957 50 0 CDAAMO COCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019789174 356504225 /nfs/dbraw/zinc/50/42/25/356504225.db2.gz KCYQISWMFHAONJ-AWEZNQCLSA-N 1 1 292.379 1.422 50 0 CDAAMO Cc1ccc(COC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000023114597 356627898 /nfs/dbraw/zinc/62/78/98/356627898.db2.gz LFHHZWGBVDKOFO-MRXNPFEDSA-N 1 1 278.396 1.120 50 0 CDAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000023387161 356641496 /nfs/dbraw/zinc/64/14/96/356641496.db2.gz FPNOPAJNRCQVRK-CABCVRRESA-N 1 1 293.363 1.086 50 0 CDAAMO CNC(=O)C1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000025755253 356681140 /nfs/dbraw/zinc/68/11/40/356681140.db2.gz BIDRJCSGHKXQCJ-UHFFFAOYSA-N 1 1 289.335 1.893 50 0 CDAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000000757250 356813919 /nfs/dbraw/zinc/81/39/19/356813919.db2.gz WUYXDWVKDYOUBK-SECBINFHSA-N 1 1 254.280 1.662 50 0 CDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000071779943 356919512 /nfs/dbraw/zinc/91/95/12/356919512.db2.gz DEFSDSKFGXCVMR-QWHCGFSZSA-N 1 1 280.393 1.544 50 0 CDAAMO CC[N@H+]1CCCN(C(=O)NCc2ccccc2)CC1 ZINC000089977251 357504423 /nfs/dbraw/zinc/50/44/23/357504423.db2.gz RQXKGXPACIJWMO-UHFFFAOYSA-N 1 1 261.369 1.924 50 0 CDAAMO CC[N@H+]1CCN(Cc2cnc(OC)nc2)CC1(C)C ZINC000067757301 357625081 /nfs/dbraw/zinc/62/50/81/357625081.db2.gz FOKRRKSGJWJMCQ-UHFFFAOYSA-N 1 1 264.373 1.401 50 0 CDAAMO CC[C@](C)(CNC(=O)/C=C/c1ccco1)[NH+]1CCOCC1 ZINC000036397035 357843454 /nfs/dbraw/zinc/84/34/54/357843454.db2.gz MVYBXEBRJPDLCO-FYCOFBDGSA-N 1 1 292.379 1.910 50 0 CDAAMO c1coc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000023153568 358093308 /nfs/dbraw/zinc/09/33/08/358093308.db2.gz WAFTYACHVQMHFO-ZDUSSCGKSA-N 1 1 288.351 1.781 50 0 CDAAMO c1coc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000023153568 358093314 /nfs/dbraw/zinc/09/33/14/358093314.db2.gz WAFTYACHVQMHFO-ZDUSSCGKSA-N 1 1 288.351 1.781 50 0 CDAAMO Cc1n[nH]c(C)c1CNCC[N@H+]1CCC[C@@H](C)C1 ZINC000097159196 358186830 /nfs/dbraw/zinc/18/68/30/358186830.db2.gz CCMHQKKIFCGGNX-LLVKDONJSA-N 1 1 250.390 1.848 50 0 CDAAMO Cc1n[nH]c(C)c1CNCC[N@@H+]1CCC[C@@H](C)C1 ZINC000097159196 358186832 /nfs/dbraw/zinc/18/68/32/358186832.db2.gz CCMHQKKIFCGGNX-LLVKDONJSA-N 1 1 250.390 1.848 50 0 CDAAMO Cc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000019923723 358218829 /nfs/dbraw/zinc/21/88/29/358218829.db2.gz MCQWAMOJFHOFFY-UHFFFAOYSA-N 1 1 263.341 1.137 50 0 CDAAMO COCc1cc(CNC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000095391772 358692163 /nfs/dbraw/zinc/69/21/63/358692163.db2.gz WKVHPQKJLZBWTF-UHFFFAOYSA-N 1 1 294.399 1.293 50 0 CDAAMO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)C2 ZINC000096003364 358705564 /nfs/dbraw/zinc/70/55/64/358705564.db2.gz OLNIBFBJLPPIGB-UHOFOFEASA-N 1 1 288.391 1.675 50 0 CDAAMO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)C2 ZINC000096003364 358705568 /nfs/dbraw/zinc/70/55/68/358705568.db2.gz OLNIBFBJLPPIGB-UHOFOFEASA-N 1 1 288.391 1.675 50 0 CDAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)no1 ZINC000096153278 358710161 /nfs/dbraw/zinc/71/01/61/358710161.db2.gz APNBBJFCTOKDNI-NWDGAFQWSA-N 1 1 277.368 1.793 50 0 CDAAMO Cc1nc([C@H](C)NC(=O)C2([NH+]3CCCC3)CCCC2)n[nH]1 ZINC000215940299 358911406 /nfs/dbraw/zinc/91/14/06/358911406.db2.gz LTKWIIKBMDXKSB-NSHDSACASA-N 1 1 291.399 1.699 50 0 CDAAMO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000215811948 358904844 /nfs/dbraw/zinc/90/48/44/358904844.db2.gz JWWFHRHEMJTRLF-CQSZACIVSA-N 1 1 294.420 1.961 50 0 CDAAMO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000215811948 358904850 /nfs/dbraw/zinc/90/48/50/358904850.db2.gz JWWFHRHEMJTRLF-CQSZACIVSA-N 1 1 294.420 1.961 50 0 CDAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000215936797 358910596 /nfs/dbraw/zinc/91/05/96/358910596.db2.gz QITIJOJZIUTFHA-AWEZNQCLSA-N 1 1 297.362 1.249 50 0 CDAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000215936797 358910600 /nfs/dbraw/zinc/91/06/00/358910600.db2.gz QITIJOJZIUTFHA-AWEZNQCLSA-N 1 1 297.362 1.249 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(O)c(C)c1 ZINC000218974518 359072712 /nfs/dbraw/zinc/07/27/12/359072712.db2.gz QUJHZVNQAJHSGD-JSGCOSHPSA-N 1 1 278.352 1.150 50 0 CDAAMO C[C@](N)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000262884688 359195737 /nfs/dbraw/zinc/19/57/37/359195737.db2.gz NUDKONFMAFHWFY-GOSISDBHSA-N 1 1 295.386 1.780 50 0 CDAAMO CC[N@@H+](C1CN(C(=O)c2ccncc2)C1)C1CCOCC1 ZINC000257179814 359176617 /nfs/dbraw/zinc/17/66/17/359176617.db2.gz JNMMQVKDSJGJHM-UHFFFAOYSA-N 1 1 289.379 1.407 50 0 CDAAMO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](C1CCCC1)C2 ZINC000221360090 359241019 /nfs/dbraw/zinc/24/10/19/359241019.db2.gz KFXXMBMZJOWOIB-CQSZACIVSA-N 1 1 265.357 1.057 50 0 CDAAMO CC(C)[N@H+]1CCC[C@@H](Cn2cnc3ncccc3c2=O)C1 ZINC000032516103 359221173 /nfs/dbraw/zinc/22/11/73/359221173.db2.gz HWHLHFYNBPYACZ-CYBMUJFWSA-N 1 1 286.379 1.912 50 0 CDAAMO CC[N@H+]1CC2(C[C@H]1c1nnc(C)o1)CCN(C(C)=O)CC2 ZINC000257188623 359531888 /nfs/dbraw/zinc/53/18/88/359531888.db2.gz FWMJTUCAAVVARH-ZDUSSCGKSA-N 1 1 292.383 1.773 50 0 CDAAMO O[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000032758421 359693015 /nfs/dbraw/zinc/69/30/15/359693015.db2.gz MFXITEJIQLIENW-HNNXBMFYSA-N 1 1 257.337 1.829 50 0 CDAAMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCOC(C)(C)C2)C1 ZINC000408517997 359903847 /nfs/dbraw/zinc/90/38/47/359903847.db2.gz RJLUFBWQISIMIP-NEPJUHHUSA-N 1 1 254.374 1.402 50 0 CDAAMO CCOCC[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000408522622 359928881 /nfs/dbraw/zinc/92/88/81/359928881.db2.gz KQJHKGIUTDPICC-MRXNPFEDSA-N 1 1 278.396 1.860 50 0 CDAAMO C[C@H](c1ccc(-c2nc(C(=O)N(C)C)n[nH]2)cc1)[NH+](C)C ZINC000426440458 360528822 /nfs/dbraw/zinc/52/88/22/360528822.db2.gz YWAAUPVAUPIKQD-SNVBAGLBSA-N 1 1 287.367 1.796 50 0 CDAAMO CCCn1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2C)cn1 ZINC000426388534 360662784 /nfs/dbraw/zinc/66/27/84/360662784.db2.gz RPDSSXCFAIVLLP-LLVKDONJSA-N 1 1 275.356 1.675 50 0 CDAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2nccn2C1 ZINC000248160861 361289183 /nfs/dbraw/zinc/28/91/83/361289183.db2.gz LGKZVCBBCHTRHM-UONOGXRCSA-N 1 1 290.411 1.579 50 0 CDAAMO O=C(CCc1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000035107278 361252656 /nfs/dbraw/zinc/25/26/56/361252656.db2.gz KTVGFHVPYMEUPF-UHFFFAOYSA-N 1 1 296.798 1.409 50 0 CDAAMO CO[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000000389080 364179546 /nfs/dbraw/zinc/17/95/46/364179546.db2.gz YONYCOWHKPZPDD-CYBMUJFWSA-N 1 1 262.353 1.366 50 0 CDAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N(CC)CC ZINC000089949303 366979025 /nfs/dbraw/zinc/97/90/25/366979025.db2.gz CKENJVGWRLIJJW-UONOGXRCSA-N 1 1 267.417 1.413 50 0 CDAAMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCc2ccccc2C1 ZINC000252584728 368161376 /nfs/dbraw/zinc/16/13/76/368161376.db2.gz CJYXIPGPCYXWNO-MAZHCROVSA-N 1 1 289.375 1.400 50 0 CDAAMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)N1CCCCCC1 ZINC000420767203 244369940 /nfs/dbraw/zinc/36/99/40/244369940.db2.gz NBFDRAQTDJXVJY-CYBMUJFWSA-N 1 1 289.445 1.133 50 0 CDAAMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1O ZINC000248826359 369470304 /nfs/dbraw/zinc/47/03/04/369470304.db2.gz CZGBNGIDXJFIIE-STQMWFEESA-N 1 1 292.379 1.228 50 0 CDAAMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1O ZINC000248826359 369470318 /nfs/dbraw/zinc/47/03/18/369470318.db2.gz CZGBNGIDXJFIIE-STQMWFEESA-N 1 1 292.379 1.228 50 0 CDAAMO Cn1ncc(Cl)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000276170637 193232072 /nfs/dbraw/zinc/23/20/72/193232072.db2.gz HCLIBMBMEKVCCA-UHFFFAOYSA-N 1 1 294.790 1.577 50 0 CDAAMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1CO)c1ccccc1 ZINC000253412399 373720241 /nfs/dbraw/zinc/72/02/41/373720241.db2.gz QXJSSWJPWSUFAV-LSDHHAIUSA-N 1 1 274.364 1.119 50 0 CDAAMO CCOC(=O)[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000108157295 412813330 /nfs/dbraw/zinc/81/33/30/412813330.db2.gz OHNDJQAWTSRJAO-BFHYXJOUSA-N 1 1 296.411 1.709 50 0 CDAAMO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)[nH]n1 ZINC000670455415 483028495 /nfs/dbraw/zinc/02/84/95/483028495.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 1 1 250.390 1.880 50 0 CDAAMO Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2(C)C)n[nH]1 ZINC000670455415 483028503 /nfs/dbraw/zinc/02/85/03/483028503.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 1 1 250.390 1.880 50 0 CDAAMO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)n[nH]1 ZINC000670455415 483028513 /nfs/dbraw/zinc/02/85/13/483028513.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 1 1 250.390 1.880 50 0 CDAAMO CN1CCO[C@@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)C[C@H]21 ZINC000093642196 374776837 /nfs/dbraw/zinc/77/68/37/374776837.db2.gz ACJPGZQYCQZIEE-CHWSQXEVSA-N 1 1 295.452 1.955 50 0 CDAAMO CN1CCO[C@@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)C[C@H]21 ZINC000093642196 374776838 /nfs/dbraw/zinc/77/68/38/374776838.db2.gz ACJPGZQYCQZIEE-CHWSQXEVSA-N 1 1 295.452 1.955 50 0 CDAAMO 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160361812 /nfs/dbraw/zinc/36/18/12/160361812.db2.gz DWKAFGCQWVWESO-ZDUSSCGKSA-N 1 1 267.329 1.219 50 0 CDAAMO NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966364 170046584 /nfs/dbraw/zinc/04/65/84/170046584.db2.gz ZUOADDNBJMWVOU-UHFFFAOYSA-N 1 1 275.377 1.961 50 0 CDAAMO CCOc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000006699004 170228353 /nfs/dbraw/zinc/22/83/53/170228353.db2.gz WHQUIXMQAOATKG-UHFFFAOYSA-N 1 1 263.341 1.865 50 0 CDAAMO CC(=O)c1cccc(NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000022795308 171399417 /nfs/dbraw/zinc/39/94/17/171399417.db2.gz IXGKHSZLASQEEX-UHFFFAOYSA-N 1 1 275.352 1.075 50 0 CDAAMO C[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000035287465 172105081 /nfs/dbraw/zinc/10/50/81/172105081.db2.gz GGKCCVBOTPESQD-LBPRGKRZSA-N 1 1 267.760 1.114 50 0 CDAAMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000035310590 172121988 /nfs/dbraw/zinc/12/19/88/172121988.db2.gz ACLFMCSPYTXGCC-NSHDSACASA-N 1 1 275.352 1.279 50 0 CDAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000035310590 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C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC000042375486 260185866 /nfs/dbraw/zinc/18/58/66/260185866.db2.gz JUNRVGSGVKNRAC-VIFPVBQESA-N 1 1 254.717 1.480 50 0 CDAAMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC000042375486 260185868 /nfs/dbraw/zinc/18/58/68/260185868.db2.gz JUNRVGSGVKNRAC-VIFPVBQESA-N 1 1 254.717 1.480 50 0 CDAAMO C[C@H]1C[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(C)(C)C1 ZINC000655296011 424313765 /nfs/dbraw/zinc/31/37/65/424313765.db2.gz KUDLAXRKMMEGNE-ZQDZILKHSA-N 1 1 294.439 1.726 50 0 CDAAMO C[C@@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@@]1(O)C1CC1 ZINC000091988290 288143238 /nfs/dbraw/zinc/14/32/38/288143238.db2.gz OCUUBMWGWYQRNB-CJNGLKHVSA-N 1 1 282.428 1.190 50 0 CDAAMO Cc1c[nH+]c(N2Cc3cnc(C(C)(C)C)nc3C2)nc1N ZINC000067850152 281614800 /nfs/dbraw/zinc/61/48/00/281614800.db2.gz LPPSKDMNNRLZHW-UHFFFAOYSA-N 1 1 284.367 1.975 50 0 CDAAMO CNC(=O)CCN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095518098 290395416 /nfs/dbraw/zinc/39/54/16/290395416.db2.gz 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ZINC000072153669 696016477 /nfs/dbraw/zinc/01/64/77/696016477.db2.gz RSRODXRSBMBQIV-HNNXBMFYSA-N 1 1 299.374 1.829 50 0 CDAAMO Cc1nc(N)nc(NC[C@@H](O)C[NH+]2CCCCCC2)c1C ZINC000091574218 696099675 /nfs/dbraw/zinc/09/96/75/696099675.db2.gz XAQWDEOGYCATMS-CYBMUJFWSA-N 1 1 293.415 1.324 50 0 CDAAMO Cc1cc(N(C)C[C@@H](O)CO)[nH+]c2cc3c(cc12)CCC3 ZINC001704348433 1177697733 /nfs/dbraw/zinc/69/77/33/1177697733.db2.gz MWMHBHDJDYGVLF-CQSZACIVSA-N 1 1 286.375 1.821 50 0 CDAAMO CC[N@@H+]1CCC[C@H]1CSc1nnc(CNC)n1C ZINC000426433511 724076719 /nfs/dbraw/zinc/07/67/19/724076719.db2.gz BKROXLOGJPUOPN-JTQLQIEISA-N 1 1 269.418 1.111 50 0 CDAAMO CC[N@H+]1CCC[C@H]1CSc1nnc(CNC)n1C ZINC000426433511 724076724 /nfs/dbraw/zinc/07/67/24/724076724.db2.gz BKROXLOGJPUOPN-JTQLQIEISA-N 1 1 269.418 1.111 50 0 CDAAMO CC[C@@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CCN1C ZINC000065395803 724150770 /nfs/dbraw/zinc/15/07/70/724150770.db2.gz IXNVSTOELZHSGX-CYBMUJFWSA-N 1 1 289.427 1.004 50 0 CDAAMO COc1cccc(CC[C@@H]2CCC[N@H+](C(CO)CO)C2)c1 ZINC000071771485 724194937 /nfs/dbraw/zinc/19/49/37/724194937.db2.gz DOZJALHNHNLKPO-HNNXBMFYSA-N 1 1 293.407 1.693 50 0 CDAAMO CCc1[nH]nc2c1CN(CC[N@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC000244884402 724678420 /nfs/dbraw/zinc/67/84/20/724678420.db2.gz YLSJYGJHZXTWPD-QWHCGFSZSA-N 1 1 274.412 1.815 50 0 CDAAMO CCc1n[nH]c2c1CN(CC[N@@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC000244884402 724678425 /nfs/dbraw/zinc/67/84/25/724678425.db2.gz YLSJYGJHZXTWPD-QWHCGFSZSA-N 1 1 274.412 1.815 50 0 CDAAMO CCc1n[nH]c2c1CN(CC[N@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC000244884402 724678429 /nfs/dbraw/zinc/67/84/29/724678429.db2.gz YLSJYGJHZXTWPD-QWHCGFSZSA-N 1 1 274.412 1.815 50 0 CDAAMO CS[C@H](C)C(=O)Nc1ccccc1NC(=O)C[NH+](C)C ZINC000952970152 724207344 /nfs/dbraw/zinc/20/73/44/724207344.db2.gz LHTSBMNWTDOZBX-SNVBAGLBSA-N 1 1 295.408 1.877 50 0 CDAAMO Cc1cc(C)c(C(N)=O)c(N2CCC[C@H](CCCO)C2)[nH+]1 ZINC000032581018 725251957 /nfs/dbraw/zinc/25/19/57/725251957.db2.gz 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Cc1[nH+]ccn1CCNc1cc([C@H]2CCOC2)ncn1 ZINC000426623395 360691115 /nfs/dbraw/zinc/69/11/15/360691115.db2.gz ZGUMCGHHTYFQLW-LBPRGKRZSA-N 1 1 273.340 1.019 50 0 CDAAMO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000106643624 291234914 /nfs/dbraw/zinc/23/49/14/291234914.db2.gz MFCSWMYWOYLDDL-VXGBXAGGSA-N 1 1 270.373 1.032 50 0 CDAAMO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000106643624 291234915 /nfs/dbraw/zinc/23/49/15/291234915.db2.gz MFCSWMYWOYLDDL-VXGBXAGGSA-N 1 1 270.373 1.032 50 0 CDAAMO CN(Cc1ccccc1F)C(=O)[C@@H]1CSC[NH2+]1 ZINC000036134948 361064717 /nfs/dbraw/zinc/06/47/17/361064717.db2.gz IKYGKMYNAKIWAH-NSHDSACASA-N 1 1 254.330 1.447 50 0 CDAAMO Nc1nc(NCC2=CCCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426589918 361073592 /nfs/dbraw/zinc/07/35/92/361073592.db2.gz DNJWATFUIDCDHB-GFCCVEGCSA-N 1 1 274.368 1.727 50 0 CDAAMO CC[C@@H](O)C[N@@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146527 361139218 /nfs/dbraw/zinc/13/92/18/361139218.db2.gz PGUBUSZXBGFZBV-KGLIPLIRSA-N 1 1 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CCn1cc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cn1 ZINC000188899514 358036920 /nfs/dbraw/zinc/03/69/20/358036920.db2.gz RRZYBIZYBDPBRD-CYBMUJFWSA-N 1 1 280.416 1.180 50 0 CDAAMO COC(=O)[C@]1(C)C[C@H](CO)[C@@H](c2ccc(C)cc2)[N@@H+]1C ZINC000063110902 358529213 /nfs/dbraw/zinc/52/92/13/358529213.db2.gz VGRXFBWPNOFSTM-FMKPAKJESA-N 1 1 277.364 1.912 50 0 CDAAMO COC(=O)[C@]1(C)C[C@H](CO)[C@@H](c2ccc(C)cc2)[N@H+]1C ZINC000063110902 358529216 /nfs/dbraw/zinc/52/92/16/358529216.db2.gz VGRXFBWPNOFSTM-FMKPAKJESA-N 1 1 277.364 1.912 50 0 CDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C(F)F ZINC000194776261 358538797 /nfs/dbraw/zinc/53/87/97/358538797.db2.gz TXCZLRLJWWWGPR-CHWSQXEVSA-N 1 1 298.333 1.251 50 0 CDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C(F)F ZINC000194776261 358538800 /nfs/dbraw/zinc/53/88/00/358538800.db2.gz TXCZLRLJWWWGPR-CHWSQXEVSA-N 1 1 298.333 1.251 50 0 CDAAMO Cc1ccc(N2CCN(c3[nH+]cccc3C)CC2)nn1 ZINC000096149839 358709325 /nfs/dbraw/zinc/70/93/25/358709325.db2.gz 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ZINC000247853798 390663012 /nfs/dbraw/zinc/66/30/12/390663012.db2.gz XIIZVMWTCZSXIW-DJIMGWMZSA-N 1 1 290.407 1.033 50 0 CDAAMO Cc1c[nH]c(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000426661366 391860091 /nfs/dbraw/zinc/86/00/91/391860091.db2.gz RAXPSKWSWUNTQG-LBPRGKRZSA-N 1 1 291.399 1.486 50 0 CDAAMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000245316877 391979557 /nfs/dbraw/zinc/97/95/57/391979557.db2.gz LAHTXJTZEGNJJI-OCCSQVGLSA-N 1 1 256.390 1.384 50 0 CDAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccon1 ZINC000248837996 131119079 /nfs/dbraw/zinc/11/90/79/131119079.db2.gz NGNRMYJVDBGUHJ-SWLSCSKDSA-N 1 1 285.347 1.925 50 0 CDAAMO COC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000096421744 393184780 /nfs/dbraw/zinc/18/47/80/393184780.db2.gz TYLQKQOETFMNHF-UONOGXRCSA-N 1 1 268.401 1.744 50 0 CDAAMO CCCC[C@@H]1C(=O)N(C)CC[N@H+]1C1CCN(C(C)=O)CC1 ZINC000065409490 393401852 /nfs/dbraw/zinc/40/18/52/393401852.db2.gz AMPAXBYDEWVVFD-OAHLLOKOSA-N 1 1 295.427 1.330 50 0 CDAAMO Cc1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000660691094 413378584 /nfs/dbraw/zinc/37/85/84/413378584.db2.gz FWPVOWQPAXHOME-QJPTWQEYSA-N 1 1 267.398 1.972 50 0 CDAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)N(C)C)o1 ZINC000005025380 170056949 /nfs/dbraw/zinc/05/69/49/170056949.db2.gz KSLFTHMPDLSZFP-APPZFPTMSA-N 1 1 272.374 1.296 50 0 CDAAMO C[NH+]1CCN(NC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000006126012 170177989 /nfs/dbraw/zinc/17/79/89/170177989.db2.gz ZOOLVQGWPBYVQT-AATRIKPKSA-N 1 1 279.771 1.632 50 0 CDAAMO CN1CCN(CCC[NH2+]Cc2cccs2)CC1 ZINC000020128353 171014311 /nfs/dbraw/zinc/01/43/11/171014311.db2.gz GCLJXQCIRDXXRK-UHFFFAOYSA-N 1 1 253.415 1.475 50 0 CDAAMO CC(C)OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020234166 171095672 /nfs/dbraw/zinc/09/56/72/171095672.db2.gz XRZBMJMYZAJPFV-QGZVFWFLSA-N 1 1 292.423 1.590 50 0 CDAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCc2sccc2C1 ZINC000022383558 171386185 /nfs/dbraw/zinc/38/61/85/171386185.db2.gz ZGXKRHKMQTXYCG-GFCCVEGCSA-N 1 1 280.393 1.090 50 0 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/nfs/dbraw/zinc/07/20/04/276072004.db2.gz SUYJWSIJKOTNEF-SECBINFHSA-N 1 1 250.346 1.141 50 0 CDAAMO CNc1ncccc1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000097717301 277046356 /nfs/dbraw/zinc/04/63/56/277046356.db2.gz UULWWSXCJBQKET-LBPRGKRZSA-N 1 1 288.395 1.822 50 0 CDAAMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2CC[C@H](O)[C@@H]3O5 ZINC000004102205 277161442 /nfs/dbraw/zinc/16/14/42/277161442.db2.gz IJVCSMSMFSCRME-KBQPJGBKSA-N 1 1 287.359 1.422 50 0 world CDAAMO CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096007044 278125209 /nfs/dbraw/zinc/12/52/09/278125209.db2.gz WOSASUFEKXCFII-OAHLLOKOSA-N 1 1 262.353 1.279 50 0 CDAAMO Cc1cccc(N2C[C@@H](C)N(C(=O)C[NH+](C)C)CC2=O)c1 ZINC000082136745 281230354 /nfs/dbraw/zinc/23/03/54/281230354.db2.gz BQVFFGJFYVIVEY-CYBMUJFWSA-N 1 1 289.379 1.120 50 0 CDAAMO COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@]31CC[N@H+](C)C2 ZINC000044091982 295278637 /nfs/dbraw/zinc/27/86/37/295278637.db2.gz ASUTZQLVASHGKV-DXCKQFNASA-N 1 1 287.359 1.850 50 0 biogenic,in-vitro 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267.377 1.165 50 0 CDAAMO CC(C)(C)n1nnnc1C[N@H+]1CCCCC[C@H]1CO ZINC000585090903 482824274 /nfs/dbraw/zinc/82/42/74/482824274.db2.gz YZCISZVCNUDIBI-NSHDSACASA-N 1 1 267.377 1.165 50 0 CDAAMO Cc1cnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670439277 482979741 /nfs/dbraw/zinc/97/97/41/482979741.db2.gz IVPONOVVBGMTKM-KBPBESRZSA-N 1 1 273.380 1.946 50 0 CDAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000670455820 483035310 /nfs/dbraw/zinc/03/53/10/483035310.db2.gz LEPQEZIRFHSXPW-LLVKDONJSA-N 1 1 272.352 1.521 50 0 CDAAMO c1nnc([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)[nH]1 ZINC000670465123 483055517 /nfs/dbraw/zinc/05/55/17/483055517.db2.gz WIWAATDIHQJUCH-SNVBAGLBSA-N 1 1 284.454 1.833 50 0 CDAAMO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)[C@@H]1C=CCCC1 ZINC000096461005 534380832 /nfs/dbraw/zinc/38/08/32/534380832.db2.gz GMJNMMBUANRRBK-MNOVXSKESA-N 1 1 267.291 1.703 50 0 CDAAMO O=C(c1cn2ccccc2n1)N1CC[NH+](C2CC2)CC1 ZINC000049388527 526866375 /nfs/dbraw/zinc/86/63/75/526866375.db2.gz 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/nfs/dbraw/zinc/91/94/31/912919431.db2.gz PAYSKPTVGRNSCJ-UHFFFAOYSA-N 1 1 260.322 1.846 50 0 CDAAMO CCCc1nnc(C(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)o1 ZINC000071750980 917535391 /nfs/dbraw/zinc/53/53/91/917535391.db2.gz JPAZEXBBVPCAEF-CQSZACIVSA-N 1 1 280.372 1.436 50 0 CDAAMO CC(C)c1nnc(-c2cccc3c2O[C@@H](C[NH3+])C3)[nH]1 ZINC000067834111 936620466 /nfs/dbraw/zinc/62/04/66/936620466.db2.gz QOHXSMLAPNQSNE-SNVBAGLBSA-N 1 1 258.325 1.857 50 0 CDAAMO CC[N@@H+](C)C1(CNc2ccc(C(N)=O)cn2)CCCC1 ZINC000534589473 922707222 /nfs/dbraw/zinc/70/72/22/922707222.db2.gz KGIPHMGKBCGPAR-UHFFFAOYSA-N 1 1 276.384 1.857 50 0 CDAAMO CCC[NH+]1CCC(N[C@H]2CN(C)C[C@@H]2OCC)CC1 ZINC000823350066 925687981 /nfs/dbraw/zinc/68/79/81/925687981.db2.gz DKVVDECIPPZTPT-GJZGRUSLSA-N 1 1 269.433 1.170 50 0 CDAAMO CCc1[nH+]ccn1CCCNC(=O)c1ccnnc1 ZINC000823557411 925709842 /nfs/dbraw/zinc/70/98/42/925709842.db2.gz PVCONESCCOCUGR-UHFFFAOYSA-N 1 1 259.313 1.056 50 0 CDAAMO CS(=O)(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000826626321 925912112 /nfs/dbraw/zinc/91/21/12/925912112.db2.gz RYMUAWKOSOGICC-ZDUSSCGKSA-N 1 1 286.372 1.512 50 0 CDAAMO Cc1c(O)cccc1C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711236 926169033 /nfs/dbraw/zinc/16/90/33/926169033.db2.gz TWJNZXIYDFSVKS-CYBMUJFWSA-N 1 1 292.379 1.135 50 0 CDAAMO CC[N@@H+](C1CN(C(=O)CC(C)C)C1)C1CCN(C)CC1 ZINC000581799367 927201316 /nfs/dbraw/zinc/20/13/16/927201316.db2.gz SVJXYYSUHWUHTA-UHFFFAOYSA-N 1 1 281.444 1.659 50 0 CDAAMO CCN(C1CN(C(=O)CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000581799367 927201324 /nfs/dbraw/zinc/20/13/24/927201324.db2.gz SVJXYYSUHWUHTA-UHFFFAOYSA-N 1 1 281.444 1.659 50 0 CDAAMO C[N@H+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C(C)(C)C ZINC000863947406 934305285 /nfs/dbraw/zinc/30/52/85/934305285.db2.gz HBFIBGJBPYRUJB-BLLLJJGKSA-N 1 1 295.427 1.091 50 0 CDAAMO CC(C)n1cnnc1C[N@H+](C)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529198950 969011066 /nfs/dbraw/zinc/01/10/66/969011066.db2.gz QOGGJISTPWWUHK-KPWCQOOUSA-N 1 1 278.400 1.840 50 0 CDAAMO CC(C)n1cnnc1C[N@@H+](C)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529198950 969011072 /nfs/dbraw/zinc/01/10/72/969011072.db2.gz QOGGJISTPWWUHK-KPWCQOOUSA-N 1 1 278.400 1.840 50 0 CDAAMO COc1cccc(OCC[N@@H+](C)CCn2cnnc2C)c1 ZINC001506406078 975151405 /nfs/dbraw/zinc/15/14/05/975151405.db2.gz FIRFROJJBYAJKZ-UHFFFAOYSA-N 1 1 290.367 1.606 50 0 CDAAMO C[C@@H](C[N@@H+](C)CCO)NCc1noc(C2CCCC2)n1 ZINC001506419638 975157037 /nfs/dbraw/zinc/15/70/37/975157037.db2.gz UHPXTTWZEFTDPH-NSHDSACASA-N 1 1 282.388 1.129 50 0 CDAAMO CNc1cc[nH+]c(N2CCOc3ccc(CO)cc3C2)n1 ZINC001506424305 975159838 /nfs/dbraw/zinc/15/98/38/975159838.db2.gz BNEDLHZOIXJNEV-UHFFFAOYSA-N 1 1 286.335 1.410 50 0 CDAAMO Cc1ccc(NCCCNC(=O)c2c[nH]c(=O)cn2)[nH+]c1 ZINC000220635887 230397746 /nfs/dbraw/zinc/39/77/46/230397746.db2.gz JRRCKPAZQBFARP-UHFFFAOYSA-N 1 1 287.323 1.118 50 0 CDAAMO CCc1[nH+]ccn1CCn1cnc2c(OC)cccc2c1=O ZINC000584903764 341994050 /nfs/dbraw/zinc/99/40/50/341994050.db2.gz GFLFSDDDBPHXDY-UHFFFAOYSA-N 1 1 298.346 1.864 50 0 CDAAMO Cc1csc2c1ncn(C[C@@H]1COCC[N@H+](C)C1)c2=O ZINC000584887017 341999107 /nfs/dbraw/zinc/99/91/07/341999107.db2.gz DYNKQAKAFMZHSG-LLVKDONJSA-N 1 1 293.392 1.345 50 0 CDAAMO Cc1cccc([C@H]2CCC[N@@H+]2CCNS(C)(=O)=O)n1 ZINC000095968345 185046894 /nfs/dbraw/zinc/04/68/94/185046894.db2.gz LVXCEKYPUZFXCV-CYBMUJFWSA-N 1 1 283.397 1.076 50 0 CDAAMO Cc1cccc([C@H]2CCC[N@H+]2CCNS(C)(=O)=O)n1 ZINC000095968345 185046895 /nfs/dbraw/zinc/04/68/95/185046895.db2.gz LVXCEKYPUZFXCV-CYBMUJFWSA-N 1 1 283.397 1.076 50 0 CDAAMO COC(=O)[C@@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000096008646 185064017 /nfs/dbraw/zinc/06/40/17/185064017.db2.gz QDOGYEBINDMVAX-CYBMUJFWSA-N 1 1 279.384 1.937 50 0 CDAAMO O=C1[C@@H]([N@@H+]2CCOC3(CCCC3)C2)CCN1C1CC1 ZINC000089818496 539087561 /nfs/dbraw/zinc/08/75/61/539087561.db2.gz PHDPRQCVQOHKQV-ZDUSSCGKSA-N 1 1 264.369 1.395 50 0 CDAAMO O=C1[C@@H]([N@H+]2CCOC3(CCCC3)C2)CCN1C1CC1 ZINC000089818496 539087562 /nfs/dbraw/zinc/08/75/62/539087562.db2.gz PHDPRQCVQOHKQV-ZDUSSCGKSA-N 1 1 264.369 1.395 50 0 CDAAMO C[N@H+]1CCN(CCCc2c(F)cccc2F)C[C@@H]1CO ZINC000585136504 342216049 /nfs/dbraw/zinc/21/60/49/342216049.db2.gz IMBYXTNIHAFCET-GFCCVEGCSA-N 1 1 284.350 1.506 50 0 CDAAMO NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000585141360 342219021 /nfs/dbraw/zinc/21/90/21/342219021.db2.gz ULHGKWXZOONNPH-ZIAGYGMSSA-N 1 1 273.380 1.320 50 0 CDAAMO CSCCC[N@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC000084714516 342268039 /nfs/dbraw/zinc/26/80/39/342268039.db2.gz MFLUMRARBCPHCN-HIFRSBDPSA-N 1 1 299.484 1.224 50 0 CDAAMO Cn1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000585126903 362060251 /nfs/dbraw/zinc/06/02/51/362060251.db2.gz KWPWCDAWYUFFCY-GFCCVEGCSA-N 1 1 264.373 1.222 50 0 CDAAMO Cn1cc[nH+]c1N1CCN(C(=O)Cc2cccs2)CC1 ZINC000011695625 365790906 /nfs/dbraw/zinc/79/09/06/365790906.db2.gz UKKJSBQFGCDXCD-UHFFFAOYSA-N 1 1 290.392 1.373 50 0 CDAAMO CC[N@@H+](C[C@H](O)COC)[C@H]1CCN(c2ccccc2)C1=O ZINC000182317098 362289845 /nfs/dbraw/zinc/28/98/45/362289845.db2.gz 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/nfs/dbraw/zinc/03/27/50/391032750.db2.gz ACKQRHIKBOCAEF-UHFFFAOYSA-N 1 1 283.379 1.892 50 0 CDAAMO CC(C)C[N@H+]1CCO[C@H](CNc2ncncc2Cl)C1 ZINC000189583919 391197661 /nfs/dbraw/zinc/19/76/61/391197661.db2.gz DAKDZWKRNIJCPO-LLVKDONJSA-N 1 1 284.791 1.899 50 0 CDAAMO CCOC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281939393 391430905 /nfs/dbraw/zinc/43/09/05/391430905.db2.gz TWBVNBWULSYDPO-KFWWJZLASA-N 1 1 283.343 1.331 50 0 CDAAMO C[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000071832964 391889579 /nfs/dbraw/zinc/88/95/79/391889579.db2.gz NXUQKZXOXDCOQK-CABCVRRESA-N 1 1 274.364 1.538 50 0 CDAAMO C[N@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000071832964 391889581 /nfs/dbraw/zinc/88/95/81/391889581.db2.gz NXUQKZXOXDCOQK-CABCVRRESA-N 1 1 274.364 1.538 50 0 CDAAMO COC(=O)CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000265231626 131565522 /nfs/dbraw/zinc/56/55/22/131565522.db2.gz QUCCXCBGTNGJON-UHFFFAOYSA-N 1 1 284.306 1.650 50 0 CDAAMO COC(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 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C[NH+]1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000020155228 171038347 /nfs/dbraw/zinc/03/83/47/171038347.db2.gz HDNUPMVRQSNMFY-UHFFFAOYSA-N 1 1 253.733 1.310 50 0 CDAAMO COC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020220519 171081792 /nfs/dbraw/zinc/08/17/92/171081792.db2.gz AGWWTNCBRTWBKA-VMPITWQZSA-N 1 1 274.364 1.490 50 0 CDAAMO COc1ccc(CN2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1OC ZINC000020878258 171277824 /nfs/dbraw/zinc/27/78/24/171277824.db2.gz JRMAVMWXWVBGDH-LBPRGKRZSA-N 1 1 294.395 1.848 50 0 CDAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc2cccnc21 ZINC000022501036 171388995 /nfs/dbraw/zinc/38/89/95/171388995.db2.gz UETVOTSLKRYXBF-UHFFFAOYSA-N 1 1 299.374 1.687 50 0 CDAAMO COCC1(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000067432950 175774117 /nfs/dbraw/zinc/77/41/17/175774117.db2.gz ZBOWUFHWBFRXKZ-CYBMUJFWSA-N 1 1 268.401 1.651 50 0 CDAAMO COc1ccccc1OC1C[NH+](C[C@@H]2CCOC2)C1 ZINC000072165732 176331073 /nfs/dbraw/zinc/33/10/73/176331073.db2.gz BLCZTXYAJVEIFR-LBPRGKRZSA-N 1 1 263.337 1.795 50 0 CDAAMO 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283.485 1.451 50 0 CDAAMO CCOCCN1CC[N@@H+](C[C@H]2CCCCO2)C[C@@H]1C ZINC000247034495 276322885 /nfs/dbraw/zinc/32/28/85/276322885.db2.gz DIMNYQCJPCYKAR-LSDHHAIUSA-N 1 1 270.417 1.598 50 0 CDAAMO CCOCC[N@@H+]1CCN(C[C@H]2CCCCO2)C[C@@H]1C ZINC000247034495 276322886 /nfs/dbraw/zinc/32/28/86/276322886.db2.gz DIMNYQCJPCYKAR-LSDHHAIUSA-N 1 1 270.417 1.598 50 0 CDAAMO CCOCC[N@H+]1CCN(C[C@H]2CCCCO2)C[C@@H]1C ZINC000247034495 276322887 /nfs/dbraw/zinc/32/28/87/276322887.db2.gz DIMNYQCJPCYKAR-LSDHHAIUSA-N 1 1 270.417 1.598 50 0 CDAAMO C[C@H](O)CN1CC[N@@H+](CC2(O)CCCCC2)C[C@@H]1C ZINC000106844068 278294362 /nfs/dbraw/zinc/29/43/62/278294362.db2.gz HFLFXXDKFZNQQM-KBPBESRZSA-N 1 1 270.417 1.069 50 0 CDAAMO C[N@H+]1C[C@H]2CCC[C@H](O)[C@@H]2[C@]2(CCCCC2=O)C1 ZINC000036550948 290310076 /nfs/dbraw/zinc/31/00/76/290310076.db2.gz FYBWQOYLTXRONY-AYRXBEOTSA-N 1 1 251.370 1.839 50 0 CDAAMO CNc1nc(C)cc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000534582579 328312659 /nfs/dbraw/zinc/31/26/59/328312659.db2.gz 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/nfs/dbraw/zinc/11/06/31/327110631.db2.gz ZVEIPVONXBJCDA-CQSZACIVSA-N 1 1 290.411 1.557 50 0 CDAAMO Cc1cc(N2CC[NH+](Cc3cccn3C)CC2)nc(C)n1 ZINC000092703907 482633246 /nfs/dbraw/zinc/63/32/46/482633246.db2.gz QDANLMGAIUMACG-UHFFFAOYSA-N 1 1 285.395 1.754 50 0 CDAAMO Cc1cc(N2CCN(Cc3cccn3C)CC2)nc(C)[nH+]1 ZINC000092703907 482633254 /nfs/dbraw/zinc/63/32/54/482633254.db2.gz QDANLMGAIUMACG-UHFFFAOYSA-N 1 1 285.395 1.754 50 0 CDAAMO CC[C@]1(C(N)=O)CCC[N@@H+](Cc2nc(C)c(C)n2C)C1 ZINC000670456464 483034600 /nfs/dbraw/zinc/03/46/00/483034600.db2.gz OVRSDCVKDLSLQK-HNNXBMFYSA-N 1 1 278.400 1.514 50 0 CDAAMO CNC(=O)C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000670459178 483041094 /nfs/dbraw/zinc/04/10/94/483041094.db2.gz IJYFQMRQPFBFCC-CQSZACIVSA-N 1 1 276.380 1.914 50 0 CDAAMO Cc1cc([C@H]2CCC[N@@H+](CCn3cncn3)C2)[nH]n1 ZINC000084111278 483247896 /nfs/dbraw/zinc/24/78/96/483247896.db2.gz GNIUKKHTIWZFDJ-LBPRGKRZSA-N 1 1 260.345 1.189 50 0 CDAAMO Cc1cc([C@H]2CCC[N@H+](CCn3cncn3)C2)n[nH]1 ZINC000084111278 483247900 /nfs/dbraw/zinc/24/79/00/483247900.db2.gz GNIUKKHTIWZFDJ-LBPRGKRZSA-N 1 1 260.345 1.189 50 0 CDAAMO Cc1cc([C@H]2CCC[N@@H+](CCn3cncn3)C2)n[nH]1 ZINC000084111278 483247902 /nfs/dbraw/zinc/24/79/02/483247902.db2.gz GNIUKKHTIWZFDJ-LBPRGKRZSA-N 1 1 260.345 1.189 50 0 CDAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000084281102 483270527 /nfs/dbraw/zinc/27/05/27/483270527.db2.gz XZADMPFIXCXFTJ-GFCCVEGCSA-N 1 1 266.345 1.209 50 0 CDAAMO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H]1C[C@H](C)OC1=O ZINC000084736242 483320593 /nfs/dbraw/zinc/32/05/93/483320593.db2.gz GKCAGQWZLZMQEY-RFQIPJPRSA-N 1 1 296.411 1.563 50 0 CDAAMO C[NH+]1CCN(c2nc3cc(C#N)ccc3s2)CC1 ZINC000140899785 1161310553 /nfs/dbraw/zinc/31/05/53/1161310553.db2.gz HXMQYBJDVQQKED-UHFFFAOYSA-N 1 1 258.350 1.920 50 0 CDAAMO Cc1cc(Cl)ccc1OCCOCC[N@@H+](C)CCO ZINC000002974996 538149376 /nfs/dbraw/zinc/14/93/76/538149376.db2.gz WYSSOVVGVDDKRU-UHFFFAOYSA-N 1 1 287.787 1.968 50 0 CDAAMO Cc1ncc(C[N@H+](C)CC2(O)CCOCC2)s1 ZINC000123176590 538380089 /nfs/dbraw/zinc/38/00/89/538380089.db2.gz HNHUSODDKOCQIY-UHFFFAOYSA-N 1 1 256.371 1.425 50 0 CDAAMO Cc1nccnc1N1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC001772703600 1159438125 /nfs/dbraw/zinc/43/81/25/1159438125.db2.gz YKAYNNQEVKMNCX-CQSZACIVSA-N 1 1 278.400 1.314 50 0 CDAAMO CC(=O)c1cnc(NCC[N@H+]2CCCC[C@@H]2CO)nc1C ZINC001704335988 1177692653 /nfs/dbraw/zinc/69/26/53/1177692653.db2.gz RXSDPZRJCWHACB-CYBMUJFWSA-N 1 1 292.383 1.246 50 0 CDAAMO C[N@@H+](CCO)CCOCCOc1ccccc1F ZINC000002981172 897096343 /nfs/dbraw/zinc/09/63/43/897096343.db2.gz MPXVDRSNLRFHKT-UHFFFAOYSA-N 1 1 257.305 1.145 50 0 CDAAMO CC1(C)CC(O)([C@H](N)c2ccns2)CC(C)(C)[NH2+]1 ZINC000958528907 901872539 /nfs/dbraw/zinc/87/25/39/901872539.db2.gz YHXINRJJDLNUTJ-SNVBAGLBSA-N 1 1 269.414 1.815 50 0 CDAAMO CC[C@H](O)c1cn(Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000162807590 910164738 /nfs/dbraw/zinc/16/47/38/910164738.db2.gz AVQMDTJMPLARPO-ZDUSSCGKSA-N 1 1 276.340 1.790 50 0 CDAAMO 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CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000107531115 398152503 /nfs/dbraw/zinc/15/25/03/398152503.db2.gz PVLMFJZZDGRMOY-GHMZBOCLSA-N 1 1 297.424 1.845 50 0 CDAAMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@H]2CCC[C@@H]2C1 ZINC000084137091 539086098 /nfs/dbraw/zinc/08/60/98/539086098.db2.gz PBLKBKWJSOBAIQ-KBUPBQIOSA-N 1 1 293.411 1.291 50 0 CDAAMO CCOC(=O)N1CCC[N@@H+](CCCn2ccnc2C)CC1 ZINC000095977646 185052001 /nfs/dbraw/zinc/05/20/01/185052001.db2.gz MRAFAFFZVYYSSF-UHFFFAOYSA-N 1 1 294.399 1.746 50 0 CDAAMO Cn1cc([C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)cn1 ZINC000242242308 361754422 /nfs/dbraw/zinc/75/44/22/361754422.db2.gz XTSVZHDLTIFBIO-COXVUDFISA-N 1 1 283.375 1.868 50 0 CDAAMO CCN(CC)CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000195555788 342626416 /nfs/dbraw/zinc/62/64/16/342626416.db2.gz QMOSCNVCYPKZRJ-UONOGXRCSA-N 1 1 267.417 1.319 50 0 CDAAMO CC[NH+](CC)CCN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000195555788 342626417 /nfs/dbraw/zinc/62/64/17/342626417.db2.gz QMOSCNVCYPKZRJ-UONOGXRCSA-N 1 1 267.417 1.319 50 0 CDAAMO CC[N@H+]1C[C@H](NC(=O)c2ccc(C)nc2C)[C@@H](OC)C1 ZINC000243893358 361829072 /nfs/dbraw/zinc/82/90/72/361829072.db2.gz AQFNGSOPEGMABR-KBPBESRZSA-N 1 1 277.368 1.147 50 0 CDAAMO CCCn1ncnc1[C@@H](C)NC(=O)C[N@@H+](C)C1CCCC1 ZINC000244594105 361853903 /nfs/dbraw/zinc/85/39/03/361853903.db2.gz DGLBRKZNLGWROE-GFCCVEGCSA-N 1 1 293.415 1.740 50 0 CDAAMO Cc1nnc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000244678656 361856342 /nfs/dbraw/zinc/85/63/42/361856342.db2.gz IHQYKLBEQMACBE-CQSZACIVSA-N 1 1 272.352 1.867 50 0 CDAAMO Cc1nnc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000244678656 361856347 /nfs/dbraw/zinc/85/63/47/361856347.db2.gz IHQYKLBEQMACBE-CQSZACIVSA-N 1 1 272.352 1.867 50 0 CDAAMO Cc1cnn(CCC[NH+]2CCN(C(C)C)CC2)c1 ZINC000244707825 361856494 /nfs/dbraw/zinc/85/64/94/361856494.db2.gz KIHWXGPXNMZTJR-UHFFFAOYSA-N 1 1 250.390 1.608 50 0 CDAAMO c1coc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000252537421 361859722 /nfs/dbraw/zinc/85/97/22/361859722.db2.gz LDJMKGFQWLSYNA-GXSJLCMTSA-N 1 1 261.281 1.865 50 0 CDAAMO C[C@H](Cc1cnccn1)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000244741845 361859873 /nfs/dbraw/zinc/85/98/73/361859873.db2.gz NXWPQPWSDOYGRQ-CQSZACIVSA-N 1 1 298.390 1.656 50 0 CDAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000244741845 361859878 /nfs/dbraw/zinc/85/98/78/361859878.db2.gz NXWPQPWSDOYGRQ-CQSZACIVSA-N 1 1 298.390 1.656 50 0 CDAAMO CCCCc1nc(NCCNC(=O)[C@@H](C)O)cc(C)[nH+]1 ZINC000244774005 361861481 /nfs/dbraw/zinc/86/14/81/361861481.db2.gz PMHCUIOVTZOXBU-LLVKDONJSA-N 1 1 280.372 1.037 50 0 CDAAMO Cc1ccccc1[C@]1(O)CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000244787846 361863526 /nfs/dbraw/zinc/86/35/26/361863526.db2.gz QESALAZKQZERLX-INIZCTEOSA-N 1 1 271.364 1.854 50 0 CDAAMO COc1coc(CN(C)CCn2cc[nH+]c2C)cc1=O ZINC000244811460 361865194 /nfs/dbraw/zinc/86/51/94/361865194.db2.gz SDCWFYAFXLYWAW-UHFFFAOYSA-N 1 1 277.324 1.285 50 0 CDAAMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1cnc2ccccc2n1 ZINC000585135101 342215901 /nfs/dbraw/zinc/21/59/01/342215901.db2.gz XPVKCRMJXFMNBG-TXEJJXNPSA-N 1 1 254.337 1.913 50 0 CDAAMO CC(C)n1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000600988832 342442310 /nfs/dbraw/zinc/44/23/10/342442310.db2.gz AKPJFCDUOFNXAX-LBPRGKRZSA-N 1 1 250.346 1.887 50 0 CDAAMO CC(C)n1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000600988832 342442311 /nfs/dbraw/zinc/44/23/11/342442311.db2.gz AKPJFCDUOFNXAX-LBPRGKRZSA-N 1 1 250.346 1.887 50 0 CDAAMO Cn1ccc(NC(=O)C[N@@H+](C)CCC[C@H]2CCCO2)n1 ZINC000252494895 362388345 /nfs/dbraw/zinc/38/83/45/362388345.db2.gz OHOIZBDHGWEJCS-LBPRGKRZSA-N 1 1 280.372 1.250 50 0 CDAAMO C[N@@H+](Cc1cc(-c2ccncc2)no1)C[C@@H]1COCCO1 ZINC000252507844 362390416 /nfs/dbraw/zinc/39/04/16/362390416.db2.gz WUSLFLCQVNKSEU-CQSZACIVSA-N 1 1 289.335 1.584 50 0 CDAAMO C[N@H+](Cc1cc(-c2ccncc2)no1)C[C@@H]1COCCO1 ZINC000252507844 362390417 /nfs/dbraw/zinc/39/04/17/362390417.db2.gz WUSLFLCQVNKSEU-CQSZACIVSA-N 1 1 289.335 1.584 50 0 CDAAMO Cc1cnc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000085855727 179189458 /nfs/dbraw/zinc/18/94/58/179189458.db2.gz AKFSWRSOWGLADH-UONOGXRCSA-N 1 1 279.384 1.404 50 0 CDAAMO CCNc1cc(NCCNC(=O)CC)[nH+]c(C)n1 ZINC000036708068 362836057 /nfs/dbraw/zinc/83/60/57/362836057.db2.gz GGMGUWLSGKDYNJ-UHFFFAOYSA-N 1 1 251.334 1.155 50 0 CDAAMO CC[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1nccs1 ZINC000230577476 348756536 /nfs/dbraw/zinc/75/65/36/348756536.db2.gz YOAGDEWBHSZMDW-LBPRGKRZSA-N 1 1 296.440 1.348 50 0 CDAAMO CC(C)c1csc(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000065366123 362946038 /nfs/dbraw/zinc/94/60/38/362946038.db2.gz LLYOKIDUYCIFMN-CYBMUJFWSA-N 1 1 294.468 1.698 50 0 CDAAMO COc1ccccc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000106590776 186128395 /nfs/dbraw/zinc/12/83/95/186128395.db2.gz VALINRZNAGOHRX-CQSZACIVSA-N 1 1 294.395 1.072 50 0 CDAAMO COc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000106590776 186128397 /nfs/dbraw/zinc/12/83/97/186128397.db2.gz VALINRZNAGOHRX-CQSZACIVSA-N 1 1 294.395 1.072 50 0 CDAAMO COc1ccccc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000106590776 186128398 /nfs/dbraw/zinc/12/83/98/186128398.db2.gz VALINRZNAGOHRX-CQSZACIVSA-N 1 1 294.395 1.072 50 0 CDAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000110642560 186308616 /nfs/dbraw/zinc/30/86/16/186308616.db2.gz OOCBMNKWPYPHHR-QWHCGFSZSA-N 1 1 286.441 1.451 50 0 CDAAMO C[N@H+]1C[C@@H](NCc2nncn2-c2ccccc2)CC1(C)C ZINC000583651145 366009256 /nfs/dbraw/zinc/00/92/56/366009256.db2.gz ICJZBDPLJGJVDX-ZDUSSCGKSA-N 1 1 285.395 1.840 50 0 CDAAMO CC[C@@H](O)C[NH+]1CCN(Cc2cnc(Cl)s2)CC1 ZINC000175448082 366100497 /nfs/dbraw/zinc/10/04/97/366100497.db2.gz VYLRUDDFCASTNR-SNVBAGLBSA-N 1 1 289.832 1.685 50 0 CDAAMO CNC(=S)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000036847481 363268357 /nfs/dbraw/zinc/26/83/57/363268357.db2.gz HABRVUCVDQMCAF-ZDUSSCGKSA-N 1 1 292.452 1.291 50 0 CDAAMO Cc1[nH]ncc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000036901482 363289150 /nfs/dbraw/zinc/28/91/50/363289150.db2.gz PQDNERQTKUOAOD-UHFFFAOYSA-N 1 1 273.336 1.822 50 0 CDAAMO C[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)CC[NH2+]1 ZINC000000391114 355908364 /nfs/dbraw/zinc/90/83/64/355908364.db2.gz QGSCXAWTTISKLF-NSHDSACASA-N 1 1 291.376 1.217 50 0 CDAAMO O[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011842610 356280504 /nfs/dbraw/zinc/28/05/04/356280504.db2.gz KSNXHEGBZNFPCG-GFCCVEGCSA-N 1 1 259.309 1.693 50 0 CDAAMO O[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011842610 356280507 /nfs/dbraw/zinc/28/05/07/356280507.db2.gz KSNXHEGBZNFPCG-GFCCVEGCSA-N 1 1 259.309 1.693 50 0 CDAAMO C[N@@H+]1CC[C@](O)(c2ccco2)[C@H](C(=O)c2ccco2)C1 ZINC000012416727 356299626 /nfs/dbraw/zinc/29/96/26/356299626.db2.gz BHZYVHNGYDZQIJ-XHDPSFHLSA-N 1 1 275.304 1.895 50 0 CDAAMO C[N@H+]1CC[C@](O)(c2ccco2)[C@H](C(=O)c2ccco2)C1 ZINC000012416727 356299628 /nfs/dbraw/zinc/29/96/28/356299628.db2.gz BHZYVHNGYDZQIJ-XHDPSFHLSA-N 1 1 275.304 1.895 50 0 CDAAMO CC[N@@H+](C)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000012574501 356309659 /nfs/dbraw/zinc/30/96/59/356309659.db2.gz YQYQYTZWGDNVQU-QGZVFWFLSA-N 1 1 290.407 1.800 50 0 CDAAMO CCc1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000032904941 356422667 /nfs/dbraw/zinc/42/26/67/356422667.db2.gz DPYVFHPKSRYMNJ-UHFFFAOYSA-N 1 1 286.379 1.950 50 0 CDAAMO Cc1ccc(C)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000019841414 356509954 /nfs/dbraw/zinc/50/99/54/356509954.db2.gz GQNYKRQJFAJCKG-UHFFFAOYSA-N 1 1 262.353 1.964 50 0 CDAAMO Cc1nc(C[NH+]2CCC(O)CC2)nc2ccccc12 ZINC000024379074 356655885 /nfs/dbraw/zinc/65/58/85/356655885.db2.gz GZNLXVGJTCCJEG-UHFFFAOYSA-N 1 1 257.337 1.895 50 0 CDAAMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000025234918 356670415 /nfs/dbraw/zinc/67/04/15/356670415.db2.gz LYUIRCRNTUTGFI-GFCCVEGCSA-N 1 1 298.358 1.022 50 0 CDAAMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000025234918 356670417 /nfs/dbraw/zinc/67/04/17/356670417.db2.gz LYUIRCRNTUTGFI-GFCCVEGCSA-N 1 1 298.358 1.022 50 0 CDAAMO CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000032843203 356788683 /nfs/dbraw/zinc/78/86/83/356788683.db2.gz FYXMSIKLZFWDSL-UHFFFAOYSA-N 1 1 250.317 1.880 50 0 CDAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000032843203 356788685 /nfs/dbraw/zinc/78/86/85/356788685.db2.gz FYXMSIKLZFWDSL-UHFFFAOYSA-N 1 1 250.317 1.880 50 0 CDAAMO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000036123811 356861532 /nfs/dbraw/zinc/86/15/32/356861532.db2.gz HIYPETNTYHIVOH-UHFFFAOYSA-N 1 1 294.298 1.299 50 0 CDAAMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC(N)=O ZINC000096441565 357473123 /nfs/dbraw/zinc/47/31/23/357473123.db2.gz NIQWSNGPUHBRLV-ZDUSSCGKSA-N 1 1 277.368 1.443 50 0 CDAAMO Cc1cc(C[C@@H](C)[NH2+]CCC(=O)Nc2cccnc2)n[nH]1 ZINC000065424493 357540579 /nfs/dbraw/zinc/54/05/79/357540579.db2.gz JKRSYVQNPPZJTF-LLVKDONJSA-N 1 1 287.367 1.663 50 0 CDAAMO CCNc1cc[nH+]c(N2CCO[C@@H](CCOC)C2)n1 ZINC000065536303 357547807 /nfs/dbraw/zinc/54/78/07/357547807.db2.gz MHAQKMWZHAZFMV-NSHDSACASA-N 1 1 266.345 1.150 50 0 CDAAMO CSc1nc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)n[nH]1 ZINC000067588727 357612781 /nfs/dbraw/zinc/61/27/81/357612781.db2.gz QJTRWRHEMZIKLO-MRVPVSSYSA-N 1 1 280.328 1.595 50 0 CDAAMO CCNC(=O)NC(=O)C[N@@H+](CCC(C)C)C1CC1 ZINC000069420240 357672364 /nfs/dbraw/zinc/67/23/64/357672364.db2.gz LPOQYAVMKNFTIO-UHFFFAOYSA-N 1 1 255.362 1.343 50 0 CDAAMO O[C@@]1(C[NH2+]CCCCc2ccccn2)CCCNC1 ZINC000072463318 357837424 /nfs/dbraw/zinc/83/74/24/357837424.db2.gz HBMDIDULWFDOLR-OAHLLOKOSA-N 1 1 263.385 1.108 50 0 CDAAMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](C(N)=O)C1 ZINC000097084219 357943976 /nfs/dbraw/zinc/94/39/76/357943976.db2.gz QHXUXTKZJPFEHB-AAEUAGOBSA-N 1 1 264.344 1.954 50 0 CDAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000097096585 357954004 /nfs/dbraw/zinc/95/40/04/357954004.db2.gz RSMPATXQWGSWGC-CQSZACIVSA-N 1 1 288.395 1.309 50 0 CDAAMO CN1CCc2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc21 ZINC000097052368 358136695 /nfs/dbraw/zinc/13/66/95/358136695.db2.gz PNARQMMDUDUESU-UHFFFAOYSA-N 1 1 288.395 1.848 50 0 CDAAMO COC(=O)C[N@@H+](C1CCOCC1)[C@H]1C=CCCC1 ZINC000089400885 358406767 /nfs/dbraw/zinc/40/67/67/358406767.db2.gz HQAYNJOEBKKTNE-LBPRGKRZSA-N 1 1 253.342 1.749 50 0 CDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCOCC1 ZINC000091690469 358522085 /nfs/dbraw/zinc/52/20/85/358522085.db2.gz RSIMLTTXNZKXTO-HNNXBMFYSA-N 1 1 274.364 1.292 50 0 CDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCOCC1 ZINC000091690469 358522088 /nfs/dbraw/zinc/52/20/88/358522088.db2.gz RSIMLTTXNZKXTO-HNNXBMFYSA-N 1 1 274.364 1.292 50 0 CDAAMO [NH3+][C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000195117035 358551486 /nfs/dbraw/zinc/55/14/86/358551486.db2.gz BSVFJLWAJKHTJY-LBPRGKRZSA-N 1 1 288.326 1.779 50 0 CDAAMO Cc1cnc([C@H]([NH2+]CC(=O)N(C)C)C2CC2)s1 ZINC000195561139 358564245 /nfs/dbraw/zinc/56/42/45/358564245.db2.gz OOWILSBIAKPUCO-LLVKDONJSA-N 1 1 253.371 1.580 50 0 CDAAMO CCc1[nH+]ccn1CCc1nc2c([nH]1)C(=O)NCCC2 ZINC000095363047 358685585 /nfs/dbraw/zinc/68/55/85/358685585.db2.gz YOIYBRITHWCZLL-UHFFFAOYSA-N 1 1 273.340 1.087 50 0 CDAAMO CCCOCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095365505 358686639 /nfs/dbraw/zinc/68/66/39/358686639.db2.gz ANUIPOYKKYMCLE-CQSZACIVSA-N 1 1 282.359 1.971 50 0 CDAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccc(O)cc1 ZINC000095364600 358686794 /nfs/dbraw/zinc/68/67/94/358686794.db2.gz DOJFTKBAJJZERH-AWEZNQCLSA-N 1 1 262.353 1.883 50 0 CDAAMO CC(C)C[N@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000095373742 358688475 /nfs/dbraw/zinc/68/84/75/358688475.db2.gz STVGRBYBKZJZEK-UHFFFAOYSA-N 1 1 286.383 1.757 50 0 CDAAMO Cc1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)on1 ZINC000215064666 358871910 /nfs/dbraw/zinc/87/19/10/358871910.db2.gz PIBHIITWUJAGLL-UHFFFAOYSA-N 1 1 273.340 1.485 50 0 CDAAMO Cc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)on1 ZINC000215064666 358871913 /nfs/dbraw/zinc/87/19/13/358871913.db2.gz PIBHIITWUJAGLL-UHFFFAOYSA-N 1 1 273.340 1.485 50 0 CDAAMO Cc1nn(CCO)c(C)c1C[N@@H+](C)CCn1ccnc1C ZINC000215287058 358882245 /nfs/dbraw/zinc/88/22/45/358882245.db2.gz CHTZBXBBGVLYSA-UHFFFAOYSA-N 1 1 291.399 1.129 50 0 CDAAMO Cc1ncc(CN2CCC(O)(C[NH+]3CCCC3)CC2)[nH]1 ZINC000216460686 358946695 /nfs/dbraw/zinc/94/66/95/358946695.db2.gz UMWGTODJRDCMOP-UHFFFAOYSA-N 1 1 278.400 1.141 50 0 CDAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H]3C[C@@H](C)OC3=O)C2)n1 ZINC000247860089 359154702 /nfs/dbraw/zinc/15/47/02/359154702.db2.gz ZRTWGARUKFOGAE-HONMWMINSA-N 1 1 292.383 1.311 50 0 CDAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H]3C[C@@H](C)OC3=O)C2)n1 ZINC000247860089 359154706 /nfs/dbraw/zinc/15/47/06/359154706.db2.gz ZRTWGARUKFOGAE-HONMWMINSA-N 1 1 292.383 1.311 50 0 CDAAMO CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CO ZINC000257193329 359603289 /nfs/dbraw/zinc/60/32/89/359603289.db2.gz YAXUCSOJOYDWPC-GXTWGEPZSA-N 1 1 282.771 1.269 50 0 CDAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1CO ZINC000257193329 359603292 /nfs/dbraw/zinc/60/32/92/359603292.db2.gz YAXUCSOJOYDWPC-GXTWGEPZSA-N 1 1 282.771 1.269 50 0 CDAAMO [NH3+]C1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCC1 ZINC000262680103 360135968 /nfs/dbraw/zinc/13/59/68/360135968.db2.gz WTAJJIIPHYWUEM-UHFFFAOYSA-N 1 1 276.315 1.590 50 0 CDAAMO CCOC(=O)CC[NH+]1CCN(c2cccs2)CC1 ZINC000121485267 360152586 /nfs/dbraw/zinc/15/25/86/360152586.db2.gz VWUYTDGUQRPMRT-UHFFFAOYSA-N 1 1 268.382 1.823 50 0 CDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000089938074 360197638 /nfs/dbraw/zinc/19/76/38/360197638.db2.gz YKLBJVNYERUYFG-CQSZACIVSA-N 1 1 298.390 1.577 50 0 CDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000089938074 360197640 /nfs/dbraw/zinc/19/76/40/360197640.db2.gz YKLBJVNYERUYFG-CQSZACIVSA-N 1 1 298.390 1.577 50 0 CDAAMO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000248125755 360385582 /nfs/dbraw/zinc/38/55/82/360385582.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 1 1 293.455 1.946 50 0 CDAAMO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000248125755 360385587 /nfs/dbraw/zinc/38/55/87/360385587.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 1 1 293.455 1.946 50 0 CDAAMO Cc1nc(CCN(C)C(=O)[C@@H](C)n2cc[nH+]c2C)no1 ZINC000426388406 360662582 /nfs/dbraw/zinc/66/25/82/360662582.db2.gz MCVOJJUVWZQTEK-SECBINFHSA-N 1 1 277.328 1.145 50 0 CDAAMO CN(C(=O)c1cn[nH]c1-c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000179095461 189169152 /nfs/dbraw/zinc/16/91/52/189169152.db2.gz HKZBVOJJCGVONW-JTQLQIEISA-N 1 1 288.326 1.650 50 0 CDAAMO CC[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)C[C@]2(CCOC2)O1 ZINC000370210038 360975463 /nfs/dbraw/zinc/97/54/63/360975463.db2.gz MZDBLLRGRBFFPK-ILXRZTDVSA-N 1 1 267.369 1.949 50 0 CDAAMO Cc1cnn(CCCNC(=O)[C@H](C)n2cc[nH+]c2C)c1 ZINC000426555386 361012541 /nfs/dbraw/zinc/01/25/41/361012541.db2.gz DVKSDNKSZIMCAK-LBPRGKRZSA-N 1 1 275.356 1.464 50 0 CDAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247707048 361168237 /nfs/dbraw/zinc/16/82/37/361168237.db2.gz FTRHOVFPOKCKAD-HOTGVXAUSA-N 1 1 298.390 1.964 50 0 CDAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000247778755 361178544 /nfs/dbraw/zinc/17/85/44/361178544.db2.gz ZKVXTKYHODRKHU-GJZGRUSLSA-N 1 1 284.363 1.574 50 0 CDAAMO C[C@@H]1C[N@H+](C[C@H](O)COC2CCCCC2)C[C@H](C)O1 ZINC000012414141 361229888 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CC(C)NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785351 170302409 /nfs/dbraw/zinc/30/24/09/170302409.db2.gz LJGMHDKTELUMRP-UHFFFAOYSA-N 1 1 263.341 1.353 50 0 CDAAMO CC(C)NC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785351 170302410 /nfs/dbraw/zinc/30/24/10/170302410.db2.gz LJGMHDKTELUMRP-UHFFFAOYSA-N 1 1 263.341 1.353 50 0 CDAAMO Cc1ccc(C2=CC[N@@H+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000009498014 170379072 /nfs/dbraw/zinc/37/90/72/170379072.db2.gz XJLHGTVMYCZKHE-UHFFFAOYSA-N 1 1 287.363 1.669 50 0 CDAAMO CC(C)CCC[C@@H]1C[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC000071764661 176261853 /nfs/dbraw/zinc/26/18/53/176261853.db2.gz AQUWADRQKWQFOZ-CYBMUJFWSA-N 1 1 295.383 1.090 50 0 CDAAMO CC(C)CCC[C@@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC000071764661 176261855 /nfs/dbraw/zinc/26/18/55/176261855.db2.gz AQUWADRQKWQFOZ-CYBMUJFWSA-N 1 1 295.383 1.090 50 0 CDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@]1(O)CCC[NH2+]C1 ZINC000077322595 177252775 /nfs/dbraw/zinc/25/27/75/177252775.db2.gz PAEXSTJWCYBDJZ-OAHLLOKOSA-N 1 1 292.358 1.248 50 0 CDAAMO OC[C@@H]1COCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000077355595 177256612 /nfs/dbraw/zinc/25/66/12/177256612.db2.gz CAEKSNYMHBLRST-LLVKDONJSA-N 1 1 290.285 1.541 50 0 CDAAMO OC[C@@H]1COCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000077355595 177256614 /nfs/dbraw/zinc/25/66/14/177256614.db2.gz CAEKSNYMHBLRST-LLVKDONJSA-N 1 1 290.285 1.541 50 0 CDAAMO COc1ccccc1CCNC(=O)Cn1cc[nH+]c1C ZINC000029937881 260139624 /nfs/dbraw/zinc/13/96/24/260139624.db2.gz OJLBWTZDUQOPRY-UHFFFAOYSA-N 1 1 273.336 1.559 50 0 CDAAMO C[NH+]1CCN(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000008073048 276928573 /nfs/dbraw/zinc/92/85/73/276928573.db2.gz GDZLCKPOQMJKNO-UHFFFAOYSA-N 1 1 293.754 1.978 50 0 CDAAMO C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ncnn1C ZINC000095423517 278162327 /nfs/dbraw/zinc/16/23/27/278162327.db2.gz CXLLWWWMXBCZFF-GFCCVEGCSA-N 1 1 279.388 1.086 50 0 CDAAMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)nn1-c1ccccc1 ZINC000109847815 279312796 /nfs/dbraw/zinc/31/27/96/279312796.db2.gz 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ZINC000092097958 180325057 /nfs/dbraw/zinc/32/50/57/180325057.db2.gz KTGKTEZSZHMNLQ-UHFFFAOYSA-N 1 1 297.366 1.884 50 0 CDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)OCC(F)(F)F ZINC000106068087 186100543 /nfs/dbraw/zinc/10/05/43/186100543.db2.gz BKVUZJAFJHLQCK-UWVGGRQHSA-N 1 1 282.306 1.554 50 0 CDAAMO COc1ncccc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000193579236 362964649 /nfs/dbraw/zinc/96/46/49/362964649.db2.gz HMZFZQXDFUGVJV-UHFFFAOYSA-N 1 1 266.341 1.064 50 0 CDAAMO Nc1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH+]c1 ZINC000062001824 362966784 /nfs/dbraw/zinc/96/67/84/362966784.db2.gz ZKMHHKVIFIUTNI-NEPJUHHUSA-N 1 1 282.347 1.449 50 0 biogenic CDAAMO CNc1ncccc1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065385273 362968376 /nfs/dbraw/zinc/96/83/76/362968376.db2.gz PFRXUJIEZMHCCW-UHFFFAOYSA-N 1 1 288.395 1.681 50 0 CDAAMO OCC(CO)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000065431797 363267146 /nfs/dbraw/zinc/26/71/46/363267146.db2.gz DLTMOTABDDSMPY-LLVKDONJSA-N 1 1 276.336 1.360 50 0 CDAAMO OC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000012471754 366154449 /nfs/dbraw/zinc/15/44/49/366154449.db2.gz KXNVRCWORFOFIG-LBPRGKRZSA-N 1 1 259.309 1.693 50 0 CDAAMO OC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000012471754 366154454 /nfs/dbraw/zinc/15/44/54/366154454.db2.gz KXNVRCWORFOFIG-LBPRGKRZSA-N 1 1 259.309 1.693 50 0 CDAAMO CCc1nc(CCNc2nc(NC)cc[nH+]2)cs1 ZINC000584901707 355956512 /nfs/dbraw/zinc/95/65/12/355956512.db2.gz VLNRBIIHZBHNII-UHFFFAOYSA-N 1 1 263.370 1.036 50 0 CDAAMO CC(C)c1nc(NCCc2c[nH+]cn2C)nc(N(C)C)n1 ZINC000097373511 356094728 /nfs/dbraw/zinc/09/47/28/356094728.db2.gz ZUUKVXVATLOYOJ-UHFFFAOYSA-N 1 1 289.387 1.449 50 0 CDAAMO CC(C)(C)CN1C[C@@H]([NH2+]Cc2ncc[nH]2)CC1=O ZINC000012430250 356300445 /nfs/dbraw/zinc/30/04/45/356300445.db2.gz WVKRXBODQUVYNT-JTQLQIEISA-N 1 1 250.346 1.146 50 0 CDAAMO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000019537077 356491467 /nfs/dbraw/zinc/49/14/67/356491467.db2.gz ZHKLPNPLOJZWIE-AWEZNQCLSA-N 1 1 285.771 1.550 50 0 CDAAMO CN1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000019841543 356509149 /nfs/dbraw/zinc/50/91/49/356509149.db2.gz VRCWKXMSEDATBW-UHFFFAOYSA-N 1 1 281.787 1.916 50 0 CDAAMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)on1 ZINC000328954267 202127934 /nfs/dbraw/zinc/12/79/34/202127934.db2.gz IKTWEQWPPUGCLC-KFWWJZLASA-N 1 1 280.368 1.735 50 0 CDAAMO Cc1[nH+]ccn1CCNC(=O)c1ccncc1Cl ZINC000266668699 356821413 /nfs/dbraw/zinc/82/14/13/356821413.db2.gz IZPYQKRMBOUOHN-UHFFFAOYSA-N 1 1 264.716 1.670 50 0 CDAAMO c1cc(CNc2cnccn2)cc(C[NH+]2CCOCC2)c1 ZINC000032603559 356783827 /nfs/dbraw/zinc/78/38/27/356783827.db2.gz ASYNGKROFQZOFG-UHFFFAOYSA-N 1 1 284.363 1.921 50 0 CDAAMO [NH3+]Cc1nnc(-c2cccc(Br)c2)o1 ZINC000050283438 357233037 /nfs/dbraw/zinc/23/30/37/357233037.db2.gz FMXBUUMIALSMFM-UHFFFAOYSA-N 1 1 254.087 1.958 50 0 CDAAMO CCN(C)c1cc[nH+]c(N2CCC[C@](O)(CC)C2)n1 ZINC000065463315 357543761 /nfs/dbraw/zinc/54/37/61/357543761.db2.gz PCOCPEXCVBKSDM-CQSZACIVSA-N 1 1 264.373 1.674 50 0 CDAAMO CCSC[C@@H](C)[NH2+]CCNC(=O)C(F)(F)F ZINC000067740675 357622517 /nfs/dbraw/zinc/62/25/17/357622517.db2.gz LVWVUVVWRYEGMY-SSDOTTSWSA-N 1 1 258.309 1.396 50 0 CDAAMO Fc1cccc(-n2cc([C@H]3[NH2+]CCc4nc[nH]c43)cn2)c1 ZINC000067562491 357613376 /nfs/dbraw/zinc/61/33/76/357613376.db2.gz YSCCUDPYPTWIAF-CQSZACIVSA-N 1 1 283.310 1.970 50 0 CDAAMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000067654192 357616735 /nfs/dbraw/zinc/61/67/35/357616735.db2.gz VGKKFXSJPRXWQG-HNNXBMFYSA-N 1 1 296.436 1.490 50 0 CDAAMO c1nc(CN2CC[NH+](CCOc3ccccc3)CC2)c[nH]1 ZINC000072418579 357745468 /nfs/dbraw/zinc/74/54/68/357745468.db2.gz FEPGCNDBZHORBN-UHFFFAOYSA-N 1 1 286.379 1.606 50 0 CDAAMO Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)[nH+]1 ZINC000097163311 358004912 /nfs/dbraw/zinc/00/49/12/358004912.db2.gz CKIDYWGEIWCQDN-UHFFFAOYSA-N 1 1 296.374 1.816 50 0 CDAAMO CC[NH+]1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000019706662 358129337 /nfs/dbraw/zinc/12/93/37/358129337.db2.gz GKCONTMUVFDGSS-UHFFFAOYSA-N 1 1 271.364 1.988 50 0 CDAAMO Cn1cc(N2CC[C@@H]([N@@H+](C)CCc3ccncc3)C2=O)cn1 ZINC000097051177 358131251 /nfs/dbraw/zinc/13/12/51/358131251.db2.gz CVGDDCUHQJTTEN-OAHLLOKOSA-N 1 1 299.378 1.095 50 0 CDAAMO [NH3+][C@H]1CCCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 ZINC000082133448 358148627 /nfs/dbraw/zinc/14/86/27/358148627.db2.gz CZOYWJZDJOHKOA-LBPRGKRZSA-N 1 1 290.411 1.561 50 0 CDAAMO CCCc1cc(C(=O)NCCn2cc[nH+]c2CC)n(C)n1 ZINC000082166653 358150541 /nfs/dbraw/zinc/15/05/41/358150541.db2.gz XCQNWRLFURVWGM-UHFFFAOYSA-N 1 1 289.383 1.562 50 0 CDAAMO COc1ccc(OCC[N@@H+](C)C[C@@H](O)COC(C)C)cc1 ZINC000098076179 358380389 /nfs/dbraw/zinc/38/03/89/358380389.db2.gz MTTLIUVSJKLZKY-CQSZACIVSA-N 1 1 297.395 1.792 50 0 CDAAMO CN(C)C(=O)c1ccc(C[N@@H+](C)CCc2ccncc2)[nH]1 ZINC000195562041 358565741 /nfs/dbraw/zinc/56/57/41/358565741.db2.gz MUVOGWRRVZAVJP-UHFFFAOYSA-N 1 1 286.379 1.786 50 0 CDAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C1CC1 ZINC000195574181 358567442 /nfs/dbraw/zinc/56/74/42/358567442.db2.gz RCRFTSJBSAQOJU-MNOVXSKESA-N 1 1 260.403 1.189 50 0 CDAAMO Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1N ZINC000027932724 358612163 /nfs/dbraw/zinc/61/21/63/358612163.db2.gz YZMUKZHCWRIACT-ZDUSSCGKSA-N 1 1 259.353 1.497 50 0 CDAAMO Cc1ccc([C@@H](C(=O)N2CCC(O)CC2)[NH+](C)C)cc1 ZINC000095357835 358684124 /nfs/dbraw/zinc/68/41/24/358684124.db2.gz QKWFZKYVGRTHIO-HNNXBMFYSA-N 1 1 276.380 1.581 50 0 CDAAMO C[N@@H+](CCN1CCCCC1=O)Cc1cccc2nonc21 ZINC000097307609 358766500 /nfs/dbraw/zinc/76/65/00/358766500.db2.gz MMJIGHYAPDAIGX-UHFFFAOYSA-N 1 1 288.351 1.667 50 0 CDAAMO Cc1ccc2c(c1)C[C@H](C(=O)N1CCc3nc[nH]c3C1)N2 ZINC000096163787 358711868 /nfs/dbraw/zinc/71/18/68/358711868.db2.gz SGORDSSXYCQYOQ-CQSZACIVSA-N 1 1 282.347 1.640 50 0 CDAAMO CCn1ncnc1CN(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000214990512 358866694 /nfs/dbraw/zinc/86/66/94/358866694.db2.gz QFZMCPMJZATGHD-UHFFFAOYSA-N 1 1 285.395 1.875 50 0 CDAAMO CN(C)c1ncc(C[N@@H+](C)CCC[C@@H]2CCCO2)cn1 ZINC000215045965 358870593 /nfs/dbraw/zinc/87/05/93/358870593.db2.gz FIVDTHFZOIZXED-CQSZACIVSA-N 1 1 278.400 1.934 50 0 CDAAMO CCO[C@H]1C[N@@H+](Cc2cc3c(cc2OC)CCC3)C[C@@H]1O ZINC000220098158 359148761 /nfs/dbraw/zinc/14/87/61/359148761.db2.gz MZSFAMFLMAFUIF-RDJZCZTQSA-N 1 1 291.391 1.766 50 0 CDAAMO CC[N@@H+](C1CN(C(=O)C2CCCC2)C1)C1CCOCC1 ZINC000257179780 359174314 /nfs/dbraw/zinc/17/43/14/359174314.db2.gz JKRBCWNDQZKSJW-UHFFFAOYSA-N 1 1 280.412 1.888 50 0 CDAAMO C[C@H](C[N@H+](C)CCCc1ccccc1)S(C)(=O)=O ZINC000408519527 359913362 /nfs/dbraw/zinc/91/33/62/359913362.db2.gz PXLZPSHUNVGPHW-CYBMUJFWSA-N 1 1 269.410 1.984 50 0 CDAAMO C[C@H](C[N@@H+](C)CCCc1ccccc1)S(C)(=O)=O ZINC000408519527 359913365 /nfs/dbraw/zinc/91/33/65/359913365.db2.gz PXLZPSHUNVGPHW-CYBMUJFWSA-N 1 1 269.410 1.984 50 0 CDAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](C)n1cc[nH+]c1C ZINC000426434465 360529841 /nfs/dbraw/zinc/52/98/41/360529841.db2.gz MQLNWJXNMULRGK-LBPRGKRZSA-N 1 1 289.383 1.794 50 0 CDAAMO COC1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426489443 360570297 /nfs/dbraw/zinc/57/02/97/360570297.db2.gz YLCUZPYEIQSILF-SNVBAGLBSA-N 1 1 278.356 1.008 50 0 CDAAMO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)ccn1C ZINC000426406085 360665832 /nfs/dbraw/zinc/66/58/32/360665832.db2.gz KDAOIJHCAKFUQR-KBPBESRZSA-N 1 1 275.396 1.890 50 0 CDAAMO CCOC(=O)C1([NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000096321137 360743597 /nfs/dbraw/zinc/74/35/97/360743597.db2.gz PFPVWWBMUMUPSZ-UHFFFAOYSA-N 1 1 272.345 1.278 50 0 CDAAMO CN(C)c1noc(C[NH2+][C@H]2CCc3ccccc3OC2)n1 ZINC000367218186 361237645 /nfs/dbraw/zinc/23/76/45/361237645.db2.gz FCOWOZHHUHDNQN-LBPRGKRZSA-N 1 1 288.351 1.619 50 0 CDAAMO Cc1cccc(C[NH2+]Cc2cccnc2N2CCOCC2)n1 ZINC000012441737 361345509 /nfs/dbraw/zinc/34/55/09/361345509.db2.gz CIRXVKBVCREUIF-UHFFFAOYSA-N 1 1 298.390 1.911 50 0 CDAAMO CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000000389079 364179311 /nfs/dbraw/zinc/17/93/11/364179311.db2.gz YONYCOWHKPZPDD-ZDUSSCGKSA-N 1 1 262.353 1.366 50 0 CDAAMO COc1ccc(C(=O)O[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000000487028 365049031 /nfs/dbraw/zinc/04/90/31/365049031.db2.gz SXZSTOYRBQKQOM-LBPRGKRZSA-N 1 1 279.336 1.955 50 0 biogenic CDAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1c[nH]cn1 ZINC000249688649 365161450 /nfs/dbraw/zinc/16/14/50/365161450.db2.gz IILQGTCZUSMBLT-QWHCGFSZSA-N 1 1 262.357 1.499 50 0 CDAAMO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000249688649 365161454 /nfs/dbraw/zinc/16/14/54/365161454.db2.gz IILQGTCZUSMBLT-QWHCGFSZSA-N 1 1 262.357 1.499 50 0 CDAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000249688649 365161458 /nfs/dbraw/zinc/16/14/58/365161458.db2.gz IILQGTCZUSMBLT-QWHCGFSZSA-N 1 1 262.357 1.499 50 0 CDAAMO Cc1ccccc1OCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000089696786 366912508 /nfs/dbraw/zinc/91/25/08/366912508.db2.gz RWSXOZUUTRFJBQ-ZDUSSCGKSA-N 1 1 298.408 1.127 50 0 CDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)[C@H]1CCO[C@H]1C ZINC000252477350 367545494 /nfs/dbraw/zinc/54/54/94/367545494.db2.gz MNSWCOFXSXDSFR-SUNKGSAMSA-N 1 1 298.408 1.504 50 0 CDAAMO O=C(NCC[N@H+]1CCCOCC1)N1CCc2ccccc21 ZINC000252536964 367793701 /nfs/dbraw/zinc/79/37/01/367793701.db2.gz JZAPNICALKBWCB-UHFFFAOYSA-N 1 1 289.379 1.481 50 0 CDAAMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)CC2)C1 ZINC000081455132 369961980 /nfs/dbraw/zinc/96/19/80/369961980.db2.gz STLXLVYACDXYCU-GFCCVEGCSA-N 1 1 254.374 1.356 50 0 CDAAMO C[N@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)CC2)C1 ZINC000081455132 369961984 /nfs/dbraw/zinc/96/19/84/369961984.db2.gz STLXLVYACDXYCU-GFCCVEGCSA-N 1 1 254.374 1.356 50 0 CDAAMO Cc1cccc2nc(CNC(=O)[C@H](C)[NH+]3CCCC3)[nH]c21 ZINC000299763678 372748659 /nfs/dbraw/zinc/74/86/59/372748659.db2.gz ZHYWWQWHLXIMEY-LBPRGKRZSA-N 1 1 286.379 1.972 50 0 CDAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)CCC(=O)NC1CC1 ZINC000299787385 372762696 /nfs/dbraw/zinc/76/26/96/372762696.db2.gz WHCABHJMAALQHO-ZDUSSCGKSA-N 1 1 275.396 1.922 50 0 CDAAMO C[C@@H]1OC(=O)[C@H]2[C@@H]1[N@H+]1CCc3ccccc3[C@H]1C[C@H]2O ZINC000252694574 373120193 /nfs/dbraw/zinc/12/01/93/373120193.db2.gz MPEJFJFZVUSBET-JZLHEVAFSA-N 1 1 273.332 1.281 50 0 biogenic CDAAMO CN(C[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1)S(C)(=O)=O ZINC000253417339 373725667 /nfs/dbraw/zinc/72/56/67/373725667.db2.gz XDRNTGIBIUYOCI-KBPBESRZSA-N 1 1 286.441 1.699 50 0 CDAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000003583357 375755178 /nfs/dbraw/zinc/75/51/78/375755178.db2.gz OUULZDBZOMTEJV-CYBMUJFWSA-N 1 1 289.379 1.887 50 0 CDAAMO COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](C)C1 ZINC000241837569 376019825 /nfs/dbraw/zinc/01/98/25/376019825.db2.gz SLEIYXBOUMDWFV-ZIAGYGMSSA-N 1 1 294.395 1.439 50 0 CDAAMO COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](C)C1 ZINC000241837569 376019832 /nfs/dbraw/zinc/01/98/32/376019832.db2.gz SLEIYXBOUMDWFV-ZIAGYGMSSA-N 1 1 294.395 1.439 50 0 CDAAMO CC(C)NC(=O)c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000243885753 376022889 /nfs/dbraw/zinc/02/28/89/376022889.db2.gz ABWCISJBAWJTSB-AWEZNQCLSA-N 1 1 288.395 1.504 50 0 CDAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1 ZINC000189149928 377196604 /nfs/dbraw/zinc/19/66/04/377196604.db2.gz ZHHNCXTZCOTKBL-QWHCGFSZSA-N 1 1 297.424 1.480 50 0 CDAAMO CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000245339390 378071856 /nfs/dbraw/zinc/07/18/56/378071856.db2.gz SKKNDFREVVBXMM-UONOGXRCSA-N 1 1 296.411 1.520 50 0 CDAAMO C1=CC[C@@H](CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000093817400 184725852 /nfs/dbraw/zinc/72/58/52/184725852.db2.gz KWJQEXKWAWKWLI-CVEARBPZSA-N 1 1 264.413 1.997 50 0 CDAAMO COc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000013576284 390208231 /nfs/dbraw/zinc/20/82/31/390208231.db2.gz CCGHVAGELGVBQD-MELADBBJSA-N 1 1 295.379 1.544 50 0 CDAAMO Cc1ccc(C[C@H](C)[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000096414920 390512198 /nfs/dbraw/zinc/51/21/98/390512198.db2.gz YRXWEDLRJQFYEL-ZDUSSCGKSA-N 1 1 269.410 1.902 50 0 CDAAMO Cc1ccc(C[C@H](C)[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000096414920 390512199 /nfs/dbraw/zinc/51/21/99/390512199.db2.gz 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258.325 1.097 50 0 CDAAMO CSCC[NH+]1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000670474362 483085198 /nfs/dbraw/zinc/08/51/98/483085198.db2.gz CXODOCYMXFNABN-UHFFFAOYSA-N 1 1 299.827 1.856 50 0 CDAAMO Cc1cc([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000084111206 483247243 /nfs/dbraw/zinc/24/72/43/483247243.db2.gz SRJHJBJVCVEPSH-AWEZNQCLSA-N 1 1 278.400 1.230 50 0 CDAAMO Cc1cc([C@H]2CCC[N@H+](CCN3CCOCC3)C2)n[nH]1 ZINC000084111206 483247248 /nfs/dbraw/zinc/24/72/48/483247248.db2.gz SRJHJBJVCVEPSH-AWEZNQCLSA-N 1 1 278.400 1.230 50 0 CDAAMO Cc1cc([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n[nH]1 ZINC000084111206 483247255 /nfs/dbraw/zinc/24/72/55/483247255.db2.gz SRJHJBJVCVEPSH-AWEZNQCLSA-N 1 1 278.400 1.230 50 0 CDAAMO CC(C)C[N@H+]1CCO[C@@H](CNc2cccc(F)n2)C1 ZINC000096453235 528014052 /nfs/dbraw/zinc/01/40/52/528014052.db2.gz DURNBUSLVYZJEA-LBPRGKRZSA-N 1 1 267.348 1.989 50 0 CDAAMO CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000096497083 528215490 /nfs/dbraw/zinc/21/54/90/528215490.db2.gz 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LQYCBEYRAHDIRD-AWEZNQCLSA-N 1 1 263.337 1.875 50 0 biogenic CDAAMO CCc1[nH]cc(CCN2C(=O)c3ccccc3C2=O)[nH+]1 ZINC000096345823 393176540 /nfs/dbraw/zinc/17/65/40/393176540.db2.gz IQYVHUPJTBQKAR-UHFFFAOYSA-N 1 1 269.304 1.811 50 0 CDAAMO CCc1[nH]c(CCN2C(=O)c3ccccc3C2=O)c[nH+]1 ZINC000096345823 393176547 /nfs/dbraw/zinc/17/65/47/393176547.db2.gz IQYVHUPJTBQKAR-UHFFFAOYSA-N 1 1 269.304 1.811 50 0 CDAAMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCOCC1CC1 ZINC000096421705 393185101 /nfs/dbraw/zinc/18/51/01/393185101.db2.gz VXRCWQDLXZWXSN-AWEZNQCLSA-N 1 1 268.401 1.792 50 0 CDAAMO CC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000195535102 393275268 /nfs/dbraw/zinc/27/52/68/393275268.db2.gz NINIPMHHPVAVGG-VXGBXAGGSA-N 1 1 272.389 1.699 50 0 CDAAMO OC[C@H]1CCC[N@H+]1CCN1CCCc2ccccc21 ZINC000090520129 135063447 /nfs/dbraw/zinc/06/34/47/135063447.db2.gz DVTQONHIQXJKBR-OAHLLOKOSA-N 1 1 260.381 1.896 50 0 CDAAMO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc2c[nH]nc21 ZINC000262070639 149008314 /nfs/dbraw/zinc/00/83/14/149008314.db2.gz WUXBFPXEJRFMIB-ZJUUUORDSA-N 1 1 258.325 1.372 50 0 CDAAMO COCCC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000239667623 292355088 /nfs/dbraw/zinc/35/50/88/292355088.db2.gz BQWVMSWGCGRTDC-TZMCWYRMSA-N 1 1 255.358 1.688 50 0 CDAAMO Cc1nnc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)s1 ZINC000660738212 413425789 /nfs/dbraw/zinc/42/57/89/413425789.db2.gz QJSGUTDXVBCHAG-SNVBAGLBSA-N 1 1 255.387 1.829 50 0 CDAAMO Cc1nnc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)s1 ZINC000660738212 413425795 /nfs/dbraw/zinc/42/57/95/413425795.db2.gz QJSGUTDXVBCHAG-SNVBAGLBSA-N 1 1 255.387 1.829 50 0 CDAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000004948779 170044580 /nfs/dbraw/zinc/04/45/80/170044580.db2.gz SKJLZHXVXSIVQB-LBPRGKRZSA-N 1 1 265.353 1.908 50 0 CDAAMO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C)CC1 ZINC000020170504 171040778 /nfs/dbraw/zinc/04/07/78/171040778.db2.gz BZTHHGKGBJAOSW-UHFFFAOYSA-N 1 1 297.786 1.535 50 0 CDAAMO CC[N@H+]1CCCN(C(=O)CSc2ncccn2)CC1 ZINC000020600659 171266272 /nfs/dbraw/zinc/26/62/72/171266272.db2.gz PSHVWUMQKMBOAM-UHFFFAOYSA-N 1 1 280.397 1.123 50 0 CDAAMO OCC[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C1CCCC1 ZINC000020992010 171283752 /nfs/dbraw/zinc/28/37/52/171283752.db2.gz XDRGHQBVNRUVNP-QGZVFWFLSA-N 1 1 289.423 1.893 50 0 CDAAMO CSCC[C@@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000021010835 171286782 /nfs/dbraw/zinc/28/67/82/171286782.db2.gz VREJIROYSRZMLE-MRVPVSSYSA-N 1 1 250.327 1.885 50 0 CDAAMO COC(=O)[C@@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022038909 171350403 /nfs/dbraw/zinc/35/04/03/171350403.db2.gz TYEGCTFOVYJSIJ-AWEZNQCLSA-N 1 1 276.380 1.613 50 0 CDAAMO CC(C)Oc1ccc([C@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000044116654 175141534 /nfs/dbraw/zinc/14/15/34/175141534.db2.gz JJRCHJVVHPEAKH-MRXNPFEDSA-N 1 1 278.396 1.755 50 0 CDAAMO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000072147726 176325878 /nfs/dbraw/zinc/32/58/78/176325878.db2.gz QRDOIOWRQSMEDB-GFCCVEGCSA-N 1 1 276.384 1.843 50 0 CDAAMO NC(=O)CC[N@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072163024 176330277 /nfs/dbraw/zinc/33/02/77/176330277.db2.gz JBKYCQRUHWQNRM-ZDUSSCGKSA-N 1 1 265.332 1.577 50 0 CDAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@](O)(CO)CC1 ZINC000072166752 176331594 /nfs/dbraw/zinc/33/15/94/176331594.db2.gz VVHJZVSIMAJSJK-ZDUSSCGKSA-N 1 1 254.330 1.001 50 0 CDAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)co1 ZINC000072170540 176333079 /nfs/dbraw/zinc/33/30/79/176333079.db2.gz NARFLEDQIMFXNX-LBPRGKRZSA-N 1 1 288.351 1.754 50 0 CDAAMO Cc1nc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)co1 ZINC000072170540 176333081 /nfs/dbraw/zinc/33/30/81/176333081.db2.gz NARFLEDQIMFXNX-LBPRGKRZSA-N 1 1 288.351 1.754 50 0 CDAAMO Cc1[nH]nc(CCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000072173774 176333823 /nfs/dbraw/zinc/33/38/23/176333823.db2.gz LYMUFHQRFWUWJM-CQSZACIVSA-N 1 1 292.427 1.902 50 0 CDAAMO CCCc1cnc(C)nc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000077456559 177270839 /nfs/dbraw/zinc/27/08/39/177270839.db2.gz OIPJLCXGSAAHOB-UONOGXRCSA-N 1 1 260.385 1.878 50 0 CDAAMO C[NH+]1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000019337279 273894680 /nfs/dbraw/zinc/89/46/80/273894680.db2.gz MAGUWVWNVDJGJX-CYBMUJFWSA-N 1 1 260.337 1.012 50 0 CDAAMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cnn1-c1ccccn1 ZINC000089545040 280207304 /nfs/dbraw/zinc/20/73/04/280207304.db2.gz VKGVAQOVUHBMHH-GFCCVEGCSA-N 1 1 299.378 1.352 50 0 CDAAMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C)cnn1-c1ccccn1 ZINC000089545040 280207306 /nfs/dbraw/zinc/20/73/06/280207306.db2.gz VKGVAQOVUHBMHH-GFCCVEGCSA-N 1 1 299.378 1.352 50 0 CDAAMO Cc1cc(N2CCn3nc4c(c3C2)CCC4)nc(C)[nH+]1 ZINC000238949577 280582541 /nfs/dbraw/zinc/58/25/41/280582541.db2.gz WTCXPVSUNVGPOU-UHFFFAOYSA-N 1 1 269.352 1.799 50 0 CDAAMO Cc1ccc2cc(C[N@@H+]3CCCNC(=O)C3)c(=O)[nH]c2c1 ZINC000067803772 281141928 /nfs/dbraw/zinc/14/19/28/281141928.db2.gz UFLHRMUKJSQQPS-UHFFFAOYSA-N 1 1 285.347 1.158 50 0 CDAAMO Cc1ccc2cc(C[N@H+]3CCCNC(=O)C3)c(=O)[nH]c2c1 ZINC000067803772 281141929 /nfs/dbraw/zinc/14/19/29/281141929.db2.gz UFLHRMUKJSQQPS-UHFFFAOYSA-N 1 1 285.347 1.158 50 0 CDAAMO Nc1cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)ccn1 ZINC000528643961 281264940 /nfs/dbraw/zinc/26/49/40/281264940.db2.gz IHTQNOKPNKBUCF-AWEZNQCLSA-N 1 1 291.395 1.248 50 0 CDAAMO CC[C@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@]1(C)O ZINC000000110669 281342118 /nfs/dbraw/zinc/34/21/18/281342118.db2.gz FFXLRBQDSKMLFV-UONOGXRCSA-N 1 1 281.356 1.911 50 0 CDAAMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000027356612 289332452 /nfs/dbraw/zinc/33/24/52/289332452.db2.gz YKSYXOUHZNRPLC-FRRDWIJNSA-N 1 1 293.411 1.875 50 0 CDAAMO Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000254557017 289345350 /nfs/dbraw/zinc/34/53/50/289345350.db2.gz AWTWCPHJYBPIHE-WWQCOOJYSA-N 1 1 296.802 1.558 50 0 CDAAMO Clc1cnn(CC[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000252510279 328105944 /nfs/dbraw/zinc/10/59/44/328105944.db2.gz ZGBBNGVPJCGPPT-UHFFFAOYSA-N 1 1 251.721 1.318 50 0 CDAAMO OC[C@@H](O)C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC001772710172 1159445404 /nfs/dbraw/zinc/44/54/04/1159445404.db2.gz PBHXREQYEPZMEN-CYBMUJFWSA-N 1 1 296.436 1.587 50 0 CDAAMO OC[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000585091224 482825622 /nfs/dbraw/zinc/82/56/22/482825622.db2.gz NUZLOAZZZJXJEW-CABCVRRESA-N 1 1 296.436 1.624 50 0 CDAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000670441044 482985558 /nfs/dbraw/zinc/98/55/58/482985558.db2.gz PDFYIXHOFVHSBW-AWEZNQCLSA-N 1 1 295.427 1.475 50 0 CDAAMO CC[N@H+]1CC[C@H](CN(C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446520 482998172 /nfs/dbraw/zinc/99/81/72/482998172.db2.gz ZOUORGPCVSBCPM-OAHLLOKOSA-N 1 1 294.443 1.266 50 0 CDAAMO CSCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670447700 483001358 /nfs/dbraw/zinc/00/13/58/483001358.db2.gz JQLBMIKCTFJAJC-RYUDHWBXSA-N 1 1 256.415 1.682 50 0 CDAAMO Cc1nncn1CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000670456072 483032412 /nfs/dbraw/zinc/03/24/12/483032412.db2.gz XHTKIKMAESTZCX-LBPRGKRZSA-N 1 1 252.362 1.069 50 0 CDAAMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000674924368 483189053 /nfs/dbraw/zinc/18/90/53/483189053.db2.gz FOSYVWHOJMLFFT-GOEBONIOSA-N 1 1 293.411 1.293 50 0 CDAAMO CCC[C@@]1(C)NC(=O)N(CC[C@H]2CCCC[N@H+]2C)C1=O ZINC000084740531 483322391 /nfs/dbraw/zinc/32/23/91/483322391.db2.gz OPOXHXKECXOTKQ-IUODEOHRSA-N 1 1 281.400 1.971 50 0 CDAAMO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCn1ccnc1 ZINC000096492538 529115612 /nfs/dbraw/zinc/11/56/12/529115612.db2.gz QFKGQIZVHVTDNJ-UHFFFAOYSA-N 1 1 290.333 1.842 50 0 CDAAMO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCn1ccnc1 ZINC000096492538 529115620 /nfs/dbraw/zinc/11/56/20/529115620.db2.gz QFKGQIZVHVTDNJ-UHFFFAOYSA-N 1 1 290.333 1.842 50 0 CDAAMO Cc1nn(C)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000097162263 545522160 /nfs/dbraw/zinc/52/21/60/545522160.db2.gz NWQUNNAFHFMTQF-UHFFFAOYSA-N 1 1 277.290 1.618 50 0 CDAAMO CCCO[C@H]1CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000952963246 614951804 /nfs/dbraw/zinc/95/18/04/614951804.db2.gz GOVHRNBCMSAVMI-HNNXBMFYSA-N 1 1 297.443 1.042 50 0 CDAAMO CC[C@H](C(=O)N1CCN(CC2CCC2)CC1)[N@H+](C)CC ZINC000952974661 615601397 /nfs/dbraw/zinc/60/13/97/615601397.db2.gz QJFSGROMGVNPKV-OAHLLOKOSA-N 1 1 281.444 1.661 50 0 CDAAMO CC[C@H](C(=O)N1CCN(CC2CCC2)CC1)[N@@H+](C)CC ZINC000952974661 615601398 /nfs/dbraw/zinc/60/13/98/615601398.db2.gz QJFSGROMGVNPKV-OAHLLOKOSA-N 1 1 281.444 1.661 50 0 CDAAMO COC[C@@H]1C[C@H](OC)CN1c1nc(N)cc(C(C)(C)C)[nH+]1 ZINC000888095831 617756955 /nfs/dbraw/zinc/75/69/55/617756955.db2.gz ZDXIPPSOSUVDEM-QWRGUYRKSA-N 1 1 294.399 1.596 50 0 CDAAMO CC(C)[C@@H](O)C[N@H+]1CC[C@@](CO)(c2cccc(F)c2)C1 ZINC000888101429 617766872 /nfs/dbraw/zinc/76/68/72/617766872.db2.gz VJJSBVPODGPLCP-JKSUJKDBSA-N 1 1 281.371 1.778 50 0 CDAAMO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3COCC[C@]3(CO)C2)[nH]n1 ZINC001772707889 1159442219 /nfs/dbraw/zinc/44/22/19/1159442219.db2.gz YFPWTWXSIZRBOA-MLGOLLRUSA-N 1 1 293.411 1.538 50 0 CDAAMO COc1ccnc(C[N@@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)c1 ZINC001704338009 1177693147 /nfs/dbraw/zinc/69/31/47/1177693147.db2.gz KAJIAPVXHQGISS-RHSMWYFYSA-N 1 1 299.374 1.521 50 0 CDAAMO 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/nfs/dbraw/zinc/20/01/85/180200185.db2.gz LMYKKOCSWBZINY-HNNXBMFYSA-N 1 1 264.369 1.585 50 0 CDAAMO C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC000091692836 180228815 /nfs/dbraw/zinc/22/88/15/180228815.db2.gz KFBKPIVODDPZQT-UHFFFAOYSA-N 1 1 260.381 1.983 50 0 CDAAMO CCc1nnc(CN2C[C@H]3CC[C@H](C[N@@H+]3CCOC)C2)o1 ZINC000091818458 180263256 /nfs/dbraw/zinc/26/32/56/180263256.db2.gz YJMLAZLSBKKCDA-QWHCGFSZSA-N 1 1 294.399 1.175 50 0 CDAAMO Cc1ccccc1C[N@H+]1CCCN([C@H]2CCOC2=O)CC1 ZINC000106652279 186130311 /nfs/dbraw/zinc/13/03/11/186130311.db2.gz PLZJUSVNYZCKQF-INIZCTEOSA-N 1 1 288.391 1.818 50 0 CDAAMO Cc1noc([C@@H]2C[N@H+](C[C@]3(C)CCCS3)CCN2C)n1 ZINC000583651488 366012163 /nfs/dbraw/zinc/01/21/63/366012163.db2.gz NQTHMCMBEXTWSL-JSGCOSHPSA-N 1 1 296.440 1.952 50 0 CDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2nccn2C1 ZINC000257365241 350964013 /nfs/dbraw/zinc/96/40/13/350964013.db2.gz AVJZYWUJKFRRSX-QWHCGFSZSA-N 1 1 276.384 1.189 50 0 CDAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](CCC(F)(F)F)C2)C1=O 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C[NH+]1CCN(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004113245 356018958 /nfs/dbraw/zinc/01/89/58/356018958.db2.gz OTDXIZVTZSQMNE-UHFFFAOYSA-N 1 1 288.178 1.886 50 0 CDAAMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NCC(F)(F)F)s1 ZINC000097374447 356094722 /nfs/dbraw/zinc/09/47/22/356094722.db2.gz HCOZNSMVQNBWFJ-UHFFFAOYSA-N 1 1 295.330 1.955 50 0 CDAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]c(C)n2)C[C@@H]1CCO ZINC000019227836 356477870 /nfs/dbraw/zinc/47/78/70/356477870.db2.gz FKHXLCLVMVTHCZ-INIZCTEOSA-N 1 1 292.427 1.553 50 0 CDAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCOCC3)C[C@@H]2C1 ZINC000020813091 356554043 /nfs/dbraw/zinc/55/40/43/356554043.db2.gz NTRSYCHJIBTEDS-OLZOCXBDSA-N 1 1 270.804 1.783 50 0 CDAAMO CCC[N@H+]1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000023375498 356641615 /nfs/dbraw/zinc/64/16/15/356641615.db2.gz FIYXUWWHSRIBDO-INIZCTEOSA-N 1 1 292.423 1.974 50 0 CDAAMO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC000257366245 538486691 /nfs/dbraw/zinc/48/66/91/538486691.db2.gz OZIDBLWYALJSCC-YPMHNXCESA-N 1 1 298.408 1.232 50 0 CDAAMO C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1 ZINC000027540564 356710286 /nfs/dbraw/zinc/71/02/86/356710286.db2.gz XNPLVYDVJVFRJJ-ZDUSSCGKSA-N 1 1 264.369 1.567 50 0 CDAAMO C[N@H+](CC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1 ZINC000027540564 356710292 /nfs/dbraw/zinc/71/02/92/356710292.db2.gz XNPLVYDVJVFRJJ-ZDUSSCGKSA-N 1 1 264.369 1.567 50 0 CDAAMO C[N@H+](CC(=O)NCc1cccnc1)C[C@H]1CCCOC1 ZINC000095395069 357113810 /nfs/dbraw/zinc/11/38/10/357113810.db2.gz DHJBCPZTXVXVDM-CQSZACIVSA-N 1 1 277.368 1.056 50 0 CDAAMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cn2)C1 ZINC000360397411 357115585 /nfs/dbraw/zinc/11/55/85/357115585.db2.gz OLEHEIGXBOLTFY-SNVBAGLBSA-N 1 1 266.320 1.684 50 0 CDAAMO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000055008584 357327583 /nfs/dbraw/zinc/32/75/83/357327583.db2.gz HCBKHMYAGPJCMV-CYBMUJFWSA-N 1 1 282.384 1.320 50 0 CDAAMO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000055008584 357327585 /nfs/dbraw/zinc/32/75/85/357327585.db2.gz HCBKHMYAGPJCMV-CYBMUJFWSA-N 1 1 282.384 1.320 50 0 CDAAMO Cc1nn(C)c(Cl)c1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000065384972 357534047 /nfs/dbraw/zinc/53/40/47/357534047.db2.gz VPFSEOUGNIAZJB-LLVKDONJSA-N 1 1 298.818 1.871 50 0 CDAAMO Cc1nn(C)c(Cl)c1C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000065384972 357534050 /nfs/dbraw/zinc/53/40/50/357534050.db2.gz VPFSEOUGNIAZJB-LLVKDONJSA-N 1 1 298.818 1.871 50 0 CDAAMO CCCN(CCO)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095375464 283263184 /nfs/dbraw/zinc/26/31/84/283263184.db2.gz SKAZYGMJZAITJW-OAHLLOKOSA-N 1 1 278.396 1.829 50 0 CDAAMO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cccn1-c1ccccn1 ZINC000065454197 357542509 /nfs/dbraw/zinc/54/25/09/357542509.db2.gz HRKJDNMIXBDWBC-ZDUSSCGKSA-N 1 1 286.379 1.781 50 0 CDAAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cccn1-c1ccccn1 ZINC000065454197 357542513 /nfs/dbraw/zinc/54/25/13/357542513.db2.gz HRKJDNMIXBDWBC-ZDUSSCGKSA-N 1 1 286.379 1.781 50 0 CDAAMO Cc1ccccc1[C@H](C(=O)N1CCCOCC1)[NH+](C)C ZINC000065489750 357544725 /nfs/dbraw/zinc/54/47/25/357544725.db2.gz SUFPMANWCWWWFN-OAHLLOKOSA-N 1 1 276.380 1.847 50 0 CDAAMO C[C@H]1CCCC[N@H+]1CCN(C)c1cc(N(C)C)ncn1 ZINC000065530276 357547912 /nfs/dbraw/zinc/54/79/12/357547912.db2.gz DDIFJBQSJQNAAA-ZDUSSCGKSA-N 1 1 277.416 1.853 50 0 CDAAMO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000067514722 357611821 /nfs/dbraw/zinc/61/18/21/357611821.db2.gz GDGDVVRDSMWHAE-SNVBAGLBSA-N 1 1 276.340 1.578 50 0 CDAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000067514722 357611827 /nfs/dbraw/zinc/61/18/27/357611827.db2.gz GDGDVVRDSMWHAE-SNVBAGLBSA-N 1 1 276.340 1.578 50 0 CDAAMO COCc1ncc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000067934281 357638883 /nfs/dbraw/zinc/63/88/83/357638883.db2.gz SIPHQRQUYKDTEA-ZDUSSCGKSA-N 1 1 287.367 1.726 50 0 CDAAMO CN(C)C[C@@]1(O)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432471 357835189 /nfs/dbraw/zinc/83/51/89/357835189.db2.gz BANFVMMRQSBSPV-INIZCTEOSA-N 1 1 273.380 1.666 50 0 CDAAMO CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432471 357835193 /nfs/dbraw/zinc/83/51/93/357835193.db2.gz BANFVMMRQSBSPV-INIZCTEOSA-N 1 1 273.380 1.666 50 0 CDAAMO CNC(=O)CC[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072133386 283302575 /nfs/dbraw/zinc/30/25/75/283302575.db2.gz YOXIRZIBPPWTGI-UONOGXRCSA-N 1 1 267.417 1.319 50 0 CDAAMO O=C1OCC[C@H]1[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200605 358188431 /nfs/dbraw/zinc/18/84/31/358188431.db2.gz FDMBSGRNRXRPPA-NWDGAFQWSA-N 1 1 261.325 1.131 50 0 CDAAMO CC(C)[N@H+]1CC[C@@H](CN2C(=O)COc3cccnc32)C1 ZINC000095362825 358685928 /nfs/dbraw/zinc/68/59/28/358685928.db2.gz CBYBBJVSHWDHMM-GFCCVEGCSA-N 1 1 275.352 1.537 50 0 CDAAMO Cc1nnc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000095371020 358687828 /nfs/dbraw/zinc/68/78/28/358687828.db2.gz ZQSDZVGSBMOTSY-GFCCVEGCSA-N 1 1 296.440 1.770 50 0 CDAAMO Cc1nc(C(=O)NCCC[NH+]2CCOCC2)c(C)s1 ZINC000097546520 358784415 /nfs/dbraw/zinc/78/44/15/358784415.db2.gz UXZJRRZDNDZZDN-UHFFFAOYSA-N 1 1 283.397 1.212 50 0 CDAAMO COc1ccc(C[N@@H+](C)CCc2cnn(C)c2)cn1 ZINC000215369267 358886448 /nfs/dbraw/zinc/88/64/48/358886448.db2.gz OZHPBOZCPUMKGT-UHFFFAOYSA-N 1 1 260.341 1.498 50 0 CDAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]2C1=O ZINC000257177925 359137736 /nfs/dbraw/zinc/13/77/36/359137736.db2.gz FPGRSRQSLVONMC-BETUJISGSA-N 1 1 283.331 1.215 50 0 CDAAMO Cc1ccc(CN2CCN3CC[N@H+](C)C[C@H]3C2)c(F)c1F ZINC000225335003 359578215 /nfs/dbraw/zinc/57/82/15/359578215.db2.gz TWXDKUVFEPVCRL-AWEZNQCLSA-N 1 1 295.377 1.705 50 0 CDAAMO Cn1cc(CC[N@H+](C)CC(=O)NCc2cccs2)cn1 ZINC000348275743 359953782 /nfs/dbraw/zinc/95/37/82/359953782.db2.gz XXEYAJHRLWIFEM-UHFFFAOYSA-N 1 1 292.408 1.272 50 0 CDAAMO Cn1cc(CC[N@@H+](C)CC(=O)NCc2cccs2)cn1 ZINC000348275743 359953785 /nfs/dbraw/zinc/95/37/85/359953785.db2.gz XXEYAJHRLWIFEM-UHFFFAOYSA-N 1 1 292.408 1.272 50 0 CDAAMO CC(C)N1C[C@@H](C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC000248160900 360414420 /nfs/dbraw/zinc/41/44/20/360414420.db2.gz LKPYURRKYZSSST-KBPBESRZSA-N 1 1 295.427 1.091 50 0 CDAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCCc1cccnc1 ZINC000426563030 360684060 /nfs/dbraw/zinc/68/40/60/360684060.db2.gz NYJKPICBWYAWHH-NSHDSACASA-N 1 1 258.325 1.506 50 0 CDAAMO COCC[N@H+](Cc1cccn1C)C[C@@H](O)COCC(C)C ZINC000036098069 360908883 /nfs/dbraw/zinc/90/88/83/360908883.db2.gz HBZHLUQLKHCZIQ-MRXNPFEDSA-N 1 1 298.427 1.507 50 0 CDAAMO C[N@H+]1CCN(c2nccc(C3CCCC3)n2)C[C@H]1CCO ZINC000106944218 361595038 /nfs/dbraw/zinc/59/50/38/361595038.db2.gz GNDOIOJMZRZDBZ-CQSZACIVSA-N 1 1 290.411 1.637 50 0 CDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059512 364050960 /nfs/dbraw/zinc/05/09/60/364050960.db2.gz KOMGLVAYRNYSPV-SNVBAGLBSA-N 1 1 272.345 1.117 50 0 CDAAMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCn1cncn1 ZINC000089948130 366976158 /nfs/dbraw/zinc/97/61/58/366976158.db2.gz DBHLLYUGMWDOSZ-CHWSQXEVSA-N 1 1 266.389 1.804 50 0 CDAAMO CCOC(=O)C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089983614 367001707 /nfs/dbraw/zinc/00/17/07/367001707.db2.gz GTEGMCWFKAZKCU-CQSZACIVSA-N 1 1 268.401 1.746 50 0 CDAAMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCSC(C)(C)C ZINC000252493990 367641017 /nfs/dbraw/zinc/64/10/17/367641017.db2.gz NIAQGSIKTZYRIL-RYUDHWBXSA-N 1 1 261.431 1.990 50 0 CDAAMO CC[N@H+]1CC[C@@H](CNCc2cccc3c2OCCO3)C1 ZINC000037644344 369505913 /nfs/dbraw/zinc/50/59/13/369505913.db2.gz BMXJMUROMUIYQF-ZDUSSCGKSA-N 1 1 276.380 1.889 50 0 CDAAMO Cc1noc(C[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000299771693 372750769 /nfs/dbraw/zinc/75/07/69/372750769.db2.gz VSLGTICKHPOISI-UHFFFAOYSA-N 1 1 251.330 1.771 50 0 CDAAMO Cc1noc(C[N@H+]2CCCC3(CCOCC3)C2)n1 ZINC000299771693 372750773 /nfs/dbraw/zinc/75/07/73/372750773.db2.gz VSLGTICKHPOISI-UHFFFAOYSA-N 1 1 251.330 1.771 50 0 CDAAMO COC(=O)CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000117340986 374535302 /nfs/dbraw/zinc/53/53/02/374535302.db2.gz WHGLRWZZAAOTEQ-CQSZACIVSA-N 1 1 290.363 1.677 50 0 CDAAMO Cc1[nH+]ccn1CCNC(=O)c1ncc(F)cc1F ZINC000019836267 374803615 /nfs/dbraw/zinc/80/36/15/374803615.db2.gz KQKZVAAXDNHTBE-UHFFFAOYSA-N 1 1 266.251 1.295 50 0 CDAAMO OC[C@H]1CCCC[N@H+]1CCCNc1ccncn1 ZINC000095355255 374888062 /nfs/dbraw/zinc/88/80/62/374888062.db2.gz FTJFVXYHODESRK-GFCCVEGCSA-N 1 1 250.346 1.125 50 0 CDAAMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2cncnc2C1 ZINC000095395061 374902029 /nfs/dbraw/zinc/90/20/29/374902029.db2.gz XSTUDKCBKSEDTM-UHFFFAOYSA-N 1 1 292.342 1.876 50 0 CDAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2cncnc2C1 ZINC000095395061 374902032 /nfs/dbraw/zinc/90/20/32/374902032.db2.gz XSTUDKCBKSEDTM-UHFFFAOYSA-N 1 1 292.342 1.876 50 0 CDAAMO Cc1[nH+]ccn1CCCCOC(=O)c1cnn(C)c1 ZINC000095454636 374953116 /nfs/dbraw/zinc/95/31/16/374953116.db2.gz DSZJYQRSGRPDGH-UHFFFAOYSA-N 1 1 262.313 1.562 50 0 CDAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC(C)(C)C ZINC000095411319 374914289 /nfs/dbraw/zinc/91/42/89/374914289.db2.gz KVWQMJHJSBYUBJ-RDBSUJKOSA-N 1 1 297.443 1.974 50 0 CDAAMO CCNc1ncc(C[N@@H+](C)C[C@@H]2CCOC2)cn1 ZINC000670469186 483063336 /nfs/dbraw/zinc/06/33/36/483063336.db2.gz SMYLGBPJERVIJO-NSHDSACASA-N 1 1 250.346 1.377 50 0 CDAAMO CCCc1noc([C@H](C)Sc2nc(N)cc(N)[nH+]2)n1 ZINC000031821883 375837090 /nfs/dbraw/zinc/83/70/90/375837090.db2.gz ZBKCVBRJEZYOLF-LURJTMIESA-N 1 1 280.357 1.830 50 0 CDAAMO O=C(c1ccncc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261650440 190041982 /nfs/dbraw/zinc/04/19/82/190041982.db2.gz GIMJZRMSQIJQOM-CQSZACIVSA-N 1 1 268.320 1.263 50 0 CDAAMO O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239351863 376015471 /nfs/dbraw/zinc/01/54/71/376015471.db2.gz AAEAUHRZMQCGTD-SOUVJXGZSA-N 1 1 263.385 1.756 50 0 CDAAMO Cc1n[nH]c(CN2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000244787656 376022749 /nfs/dbraw/zinc/02/27/49/376022749.db2.gz QBAPXQKEEPXKQB-JTQLQIEISA-N 1 1 254.765 1.652 50 0 CDAAMO C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@@H](C)C1CCCCC1 ZINC000246508068 376928422 /nfs/dbraw/zinc/92/84/22/376928422.db2.gz QKEMOOOTKVUYBQ-MBNYWOFBSA-N 1 1 268.401 1.696 50 0 CDAAMO 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Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](O)C3)cc(=O)c2c1 ZINC000299796175 372769439 /nfs/dbraw/zinc/76/94/39/372769439.db2.gz NHLPCCCQSFNVQF-GFCCVEGCSA-N 1 1 258.321 1.815 50 0 CDAAMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC1 ZINC000253370148 373680221 /nfs/dbraw/zinc/68/02/21/373680221.db2.gz MRGQRPMHIAQTRD-IRXDYDNUSA-N 1 1 290.407 1.522 50 0 CDAAMO CCC12CN3CC(C)(C[N@H+](C1)C31CCOC(C)(C)C1)[C@H]2O ZINC000035585700 373849491 /nfs/dbraw/zinc/84/94/91/373849491.db2.gz MBRWLQSQZASSPU-OHVXSQEESA-N 1 1 294.439 1.680 50 0 biogenic CDAAMO CCC12CN3CC(C)(C[N@@H+](C1)C31CCOC(C)(C)C1)[C@H]2O ZINC000035585700 373849495 /nfs/dbraw/zinc/84/94/95/373849495.db2.gz MBRWLQSQZASSPU-OHVXSQEESA-N 1 1 294.439 1.680 50 0 biogenic CDAAMO CNC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496763 374062174 /nfs/dbraw/zinc/06/21/74/374062174.db2.gz DOUVRHMVFWSYHQ-CQSZACIVSA-N 1 1 262.353 1.066 50 0 CDAAMO CNC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496763 374062186 /nfs/dbraw/zinc/06/21/86/374062186.db2.gz 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C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000299748335 278317004 /nfs/dbraw/zinc/31/70/04/278317004.db2.gz GYTVBVIRLSANKK-ZWNOBZJWSA-N 1 1 272.352 1.905 50 0 CDAAMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)CC[C@@]12NC(=O)NC2=O ZINC000005559814 279095395 /nfs/dbraw/zinc/09/53/95/279095395.db2.gz FQTIIVLASVNVSP-IFUGULHKSA-N 1 1 273.336 1.278 50 0 CDAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCOCC3)C[C@H]2C1 ZINC000022864893 279289969 /nfs/dbraw/zinc/28/99/69/279289969.db2.gz NTRSYCHJIBTEDS-CHWSQXEVSA-N 1 1 270.804 1.783 50 0 CDAAMO CCOc1ncccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108433489 279306650 /nfs/dbraw/zinc/30/66/50/279306650.db2.gz KVGGMCBSSJRUCN-LBPRGKRZSA-N 1 1 292.383 1.944 50 0 CDAAMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(O)CC1 ZINC000245397837 280204744 /nfs/dbraw/zinc/20/47/44/280204744.db2.gz QOZAEMIGMVNJAI-OSFYFWSMSA-N 1 1 282.428 1.773 50 0 CDAAMO C[C@H]1CC[N@@H+](CC(=O)NCc2nc3cc(F)ccc3[nH]2)C1 ZINC000553497333 290122327 /nfs/dbraw/zinc/12/23/27/290122327.db2.gz 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/nfs/dbraw/zinc/85/56/14/361855614.db2.gz GRUWOPRBRHXGPV-CQSZACIVSA-N 1 1 294.351 1.171 50 0 CDAAMO O[C@H]1C[N@H+](CCCc2cccnc2)C[C@@H]1N1CCCCC1 ZINC000244678751 361856614 /nfs/dbraw/zinc/85/66/14/361856614.db2.gz IJEWNUGCCOKROG-IRXDYDNUSA-N 1 1 289.423 1.545 50 0 CDAAMO O[C@H]1C[N@@H+](CCCc2cccnc2)C[C@@H]1N1CCCCC1 ZINC000244678751 361856621 /nfs/dbraw/zinc/85/66/21/361856621.db2.gz IJEWNUGCCOKROG-IRXDYDNUSA-N 1 1 289.423 1.545 50 0 CDAAMO Cc1ccn(CC[NH+]2CCC(N3CCSCC3)CC2)n1 ZINC000244748685 361861669 /nfs/dbraw/zinc/86/16/69/361861669.db2.gz OMLICLOLTFOBGX-UHFFFAOYSA-N 1 1 294.468 1.705 50 0 CDAAMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCCO)[C@@H]2C1 ZINC000097021417 185153778 /nfs/dbraw/zinc/15/37/78/185153778.db2.gz DSRCOAFQYOTZAX-MGPQQGTHSA-N 1 1 257.374 1.417 50 0 CDAAMO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339365 342216294 /nfs/dbraw/zinc/21/62/94/342216294.db2.gz SGQPAUNMPHTOCQ-RWMBFGLXSA-N 1 1 275.414 1.453 50 0 CDAAMO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339365 342216295 /nfs/dbraw/zinc/21/62/95/342216295.db2.gz SGQPAUNMPHTOCQ-RWMBFGLXSA-N 1 1 275.414 1.453 50 0 CDAAMO Cc1noc(C)c1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000685939454 539045566 /nfs/dbraw/zinc/04/55/66/539045566.db2.gz BIMIPTOJMCGALD-NXEZZACHSA-N 1 1 265.357 1.557 50 0 CDAAMO Cc1noc(C)c1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000685939454 539045567 /nfs/dbraw/zinc/04/55/67/539045567.db2.gz BIMIPTOJMCGALD-NXEZZACHSA-N 1 1 265.357 1.557 50 0 CDAAMO CCc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc(C)[nH+]1 ZINC000281136534 539128466 /nfs/dbraw/zinc/12/84/66/539128466.db2.gz ZJIGLZMTBDSRIY-VXGBXAGGSA-N 1 1 265.357 1.404 50 0 CDAAMO C[C@H]1CCCC[C@@]12NC(=O)N(C[NH+]1CCCCC1)C2=O ZINC000056552549 539160824 /nfs/dbraw/zinc/16/08/24/539160824.db2.gz WCDXTARBTPHRRP-SWLSCSKDSA-N 1 1 279.384 1.931 50 0 CDAAMO C[NH2+][C@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000263619452 346911557 /nfs/dbraw/zinc/91/15/57/346911557.db2.gz YSMSUDIJISANPF-GFCCVEGCSA-N 1 1 260.272 1.151 50 0 CDAAMO CCSCC[C@H](C)NC(=O)N1CC[NH+](CC)CC1 ZINC000084789240 362271331 /nfs/dbraw/zinc/27/13/31/362271331.db2.gz YIFQJPVYWZZPHY-LBPRGKRZSA-N 1 1 273.446 1.865 50 0 CDAAMO Cc1ccc(NCCCNC(=O)Cc2ccon2)[nH+]c1 ZINC000085383571 179045474 /nfs/dbraw/zinc/04/54/74/179045474.db2.gz OALXIYSPCOGHJX-UHFFFAOYSA-N 1 1 274.324 1.539 50 0 CDAAMO O[C@@H](C[NH+]1CCN(Cc2ccccn2)CC1)c1ccco1 ZINC000085436905 179063153 /nfs/dbraw/zinc/06/31/53/179063153.db2.gz FVOZQPFAKHAWTH-HNNXBMFYSA-N 1 1 287.363 1.526 50 0 CDAAMO Cc1cc(O)ccc1C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000584884533 349342640 /nfs/dbraw/zinc/34/26/40/349342640.db2.gz KCAHCGUXJJIEPS-ZDUSSCGKSA-N 1 1 292.379 1.135 50 0 CDAAMO C[N@H+]1CC[C@@H](Cn2cnc3cccc(F)c3c2=O)C1 ZINC000584889181 349347947 /nfs/dbraw/zinc/34/79/47/349347947.db2.gz FVCAVHJQTDTRAH-SNVBAGLBSA-N 1 1 261.300 1.487 50 0 CDAAMO CN(Cc1cnn2cccnc12)C[C@@H]1CCCC[N@H+]1C ZINC000584895335 349356089 /nfs/dbraw/zinc/35/60/89/349356089.db2.gz JJLSHIHUVMNJKL-AWEZNQCLSA-N 1 1 273.384 1.645 50 0 CDAAMO CC[NH+]1CCC(CNc2ccncn2)(N(C)C)CC1 ZINC000091848708 180271057 /nfs/dbraw/zinc/27/10/57/180271057.db2.gz VXEUMVIKAQKFRX-UHFFFAOYSA-N 1 1 263.389 1.305 50 0 CDAAMO Cc1ccc([C@H](C(=O)NCCCCO)[NH+](C)C)cc1 ZINC000092077505 180318321 /nfs/dbraw/zinc/31/83/21/180318321.db2.gz WUQNTWLHUKKKBI-CQSZACIVSA-N 1 1 264.369 1.486 50 0 CDAAMO CN1CCO[C@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)C[C@@H]21 ZINC000108327812 186210756 /nfs/dbraw/zinc/21/07/56/186210756.db2.gz ACJPGZQYCQZIEE-STQMWFEESA-N 1 1 295.452 1.955 50 0 CDAAMO CN1CCO[C@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)C[C@@H]21 ZINC000108327812 186210758 /nfs/dbraw/zinc/21/07/58/186210758.db2.gz ACJPGZQYCQZIEE-STQMWFEESA-N 1 1 295.452 1.955 50 0 CDAAMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1F ZINC000583651656 366017804 /nfs/dbraw/zinc/01/78/04/366017804.db2.gz QDUCZSSTAFOXQL-RNCFNFMXSA-N 1 1 257.280 1.282 50 0 CDAAMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1c(F)cccc1F ZINC000583651656 366017807 /nfs/dbraw/zinc/01/78/07/366017807.db2.gz QDUCZSSTAFOXQL-RNCFNFMXSA-N 1 1 257.280 1.282 50 0 CDAAMO NC(=O)C1(N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000000393554 355908811 /nfs/dbraw/zinc/90/88/11/355908811.db2.gz LVKUSLBPUHAEAQ-UHFFFAOYSA-N 1 1 287.407 1.602 50 0 CDAAMO CN1CCc2c1nc1ccccc1c2NC(=O)C[NH+](C)C ZINC000003143994 355995491 /nfs/dbraw/zinc/99/54/91/355995491.db2.gz SUBSKDLONAPVDG-UHFFFAOYSA-N 1 1 284.363 1.727 50 0 CDAAMO CC(C)[N@@H+](C)CC(=O)Nc1cnn(CC(F)F)c1 ZINC000116844192 355944148 /nfs/dbraw/zinc/94/41/48/355944148.db2.gz RELWSRBIRRFNHM-UHFFFAOYSA-N 1 1 260.288 1.427 50 0 CDAAMO CN(C)C(=O)OCC[N@@H+](C)CCOc1ccccc1F ZINC000097373605 356094694 /nfs/dbraw/zinc/09/46/94/356094694.db2.gz PHIBGJIJTQQZHS-UHFFFAOYSA-N 1 1 284.331 1.835 50 0 CDAAMO OCCOCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019607015 356493125 /nfs/dbraw/zinc/49/31/25/356493125.db2.gz LGHVBRMOWYZHOW-UHFFFAOYSA-N 1 1 298.814 1.467 50 0 CDAAMO COc1ccc(C)cc1NC(=O)CC[NH+]1CCOCC1 ZINC000019841614 356510033 /nfs/dbraw/zinc/51/00/33/356510033.db2.gz YVYLFRAJIFZCJB-UHFFFAOYSA-N 1 1 278.352 1.664 50 0 CDAAMO C[N@@H+](CCCNc1ccc2nnnn2n1)C1CCCCC1 ZINC000012869792 363499160 /nfs/dbraw/zinc/49/91/60/363499160.db2.gz YADBVYOEHAQBJV-UHFFFAOYSA-N 1 1 289.387 1.586 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc2c1OCO2 ZINC000023281692 356638301 /nfs/dbraw/zinc/63/83/01/356638301.db2.gz YFPBFMBQHWUFTF-LLVKDONJSA-N 1 1 292.335 1.121 50 0 CDAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000054566318 357321560 /nfs/dbraw/zinc/32/15/60/357321560.db2.gz GOEGRCUUJOUKGK-FNORWQNLSA-N 1 1 290.363 1.491 50 0 CDAAMO COc1cc(C)ccc1OCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000065491983 357544870 /nfs/dbraw/zinc/54/48/70/357544870.db2.gz ASRRPCGALGSGRT-LBPRGKRZSA-N 1 1 278.352 1.332 50 0 CDAAMO COc1cc(C)ccc1OCC[N@H+]1CCC[C@H]1C(N)=O ZINC000065491983 357544871 /nfs/dbraw/zinc/54/48/71/357544871.db2.gz ASRRPCGALGSGRT-LBPRGKRZSA-N 1 1 278.352 1.332 50 0 CDAAMO C[N@@H+]1CCCN(Cc2n[nH]c(CCc3ccccc3)n2)CC1 ZINC000065506644 357545733 /nfs/dbraw/zinc/54/57/33/357545733.db2.gz HXLPLOPLSOZUQZ-UHFFFAOYSA-N 1 1 299.422 1.727 50 0 CDAAMO C[N@H+]1CCCN(Cc2n[nH]c(CCc3ccccc3)n2)CC1 ZINC000065506644 357545735 /nfs/dbraw/zinc/54/57/35/357545735.db2.gz HXLPLOPLSOZUQZ-UHFFFAOYSA-N 1 1 299.422 1.727 50 0 CDAAMO [NH3+]C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000070451517 357724616 /nfs/dbraw/zinc/72/46/16/357724616.db2.gz NVYOMHKHVOQBKQ-UHFFFAOYSA-N 1 1 270.336 1.640 50 0 CDAAMO O=C(NCCc1cccs1)[C@@H]1NCCc2[nH]cnc21 ZINC000072478842 357838171 /nfs/dbraw/zinc/83/81/71/357838171.db2.gz XYALFHSBQGZAKB-GFCCVEGCSA-N 1 1 276.365 1.017 50 0 CDAAMO O=C(NCCc1cccs1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072478842 357838173 /nfs/dbraw/zinc/83/81/73/357838173.db2.gz XYALFHSBQGZAKB-GFCCVEGCSA-N 1 1 276.365 1.017 50 0 CDAAMO CC(C)OC[C@H](O)C[N@@H+](C)CCOc1ccccc1 ZINC000098066280 358354785 /nfs/dbraw/zinc/35/47/85/358354785.db2.gz OMQWRDOGTSACFD-CQSZACIVSA-N 1 1 267.369 1.783 50 0 CDAAMO CCC(=O)NCCNC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000095360706 358685559 /nfs/dbraw/zinc/68/55/59/358685559.db2.gz ABFVRHJPPJWBSV-HNNXBMFYSA-N 1 1 291.395 1.240 50 0 CDAAMO CCc1cnc(NCCC[NH+]2CCOCC2)nc1 ZINC000095366151 358686668 /nfs/dbraw/zinc/68/66/68/358686668.db2.gz CUYOENLYEHXTGS-UHFFFAOYSA-N 1 1 250.346 1.173 50 0 CDAAMO Cc1cccc([C@@H](C(=O)NCCCO)[NH+](C)C)c1 ZINC000095372916 358688340 /nfs/dbraw/zinc/68/83/40/358688340.db2.gz KRPXPCVOTQVRRT-ZDUSSCGKSA-N 1 1 250.342 1.096 50 0 CDAAMO C/C=C/CC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095379125 358689539 /nfs/dbraw/zinc/68/95/39/358689539.db2.gz FEJZNGQUSGDAKO-DWTRPJMMSA-N 1 1 293.411 1.108 50 0 CDAAMO Cc1ccc(N2CC[NH+](Cc3ncccc3C)CC2)nn1 ZINC000095500930 358695815 /nfs/dbraw/zinc/69/58/15/358695815.db2.gz IJLDINWNFHJSLB-UHFFFAOYSA-N 1 1 283.379 1.811 50 0 CDAAMO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(Cl)o1)C2 ZINC000216380156 358942396 /nfs/dbraw/zinc/94/23/96/358942396.db2.gz AQTSJVHXCOPURY-BDAKNGLRSA-N 1 1 254.717 1.643 50 0 CDAAMO 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Cc1cccc([C@H](C(=O)NCCn2ccnc2)[NH+](C)C)c1 ZINC000065375901 357533258 /nfs/dbraw/zinc/53/32/58/357533258.db2.gz OBHYCEHWQVZHMT-OAHLLOKOSA-N 1 1 286.379 1.611 50 0 CDAAMO O=C1CC[C@@H](C[N@@H+](Cc2ccncc2)C2CCOCC2)N1 ZINC000065534442 357548171 /nfs/dbraw/zinc/54/81/71/357548171.db2.gz SKEZYJLJXACDHE-AWEZNQCLSA-N 1 1 289.379 1.341 50 0 CDAAMO C[NH+]1CCN(Cc2noc([C@H]3CCOC(C)(C)C3)n2)CC1 ZINC000067723854 357621645 /nfs/dbraw/zinc/62/16/45/357621645.db2.gz IXOZNZKXDRHGMA-LBPRGKRZSA-N 1 1 294.399 1.490 50 0 CDAAMO COCc1ncc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000067934282 357638484 /nfs/dbraw/zinc/63/84/84/357638484.db2.gz SIPHQRQUYKDTEA-CYBMUJFWSA-N 1 1 287.367 1.726 50 0 CDAAMO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000067955149 357639570 /nfs/dbraw/zinc/63/95/70/357639570.db2.gz ROHLRXCMSYQBOK-GFCCVEGCSA-N 1 1 299.378 1.673 50 0 CDAAMO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccnc3)C2=O)cc1 ZINC000004640930 358619066 /nfs/dbraw/zinc/61/90/66/358619066.db2.gz 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C[C@@H]1CC[N@@H+](CC2CCSCC2)CC[S@@]1=O ZINC000602637831 344510671 /nfs/dbraw/zinc/51/06/71/344510671.db2.gz ODMHPKDLGUOQKD-BZNIZROVSA-N 1 1 261.456 1.973 50 0 CDAAMO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000191353028 362421627 /nfs/dbraw/zinc/42/16/27/362421627.db2.gz CJZQUHVFHBWUHT-HZPDHXFCSA-N 1 1 287.407 1.601 50 0 CDAAMO CNC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000016036444 346002545 /nfs/dbraw/zinc/00/25/45/346002545.db2.gz ZLLYQMRMDBRZGG-TZMCWYRMSA-N 1 1 259.353 1.942 50 0 CDAAMO COCC1(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000097732881 185657841 /nfs/dbraw/zinc/65/78/41/185657841.db2.gz XQCWMONHDKQNQW-HNNXBMFYSA-N 1 1 288.391 1.976 50 0 CDAAMO O=C(C1CCCC1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436586 179063084 /nfs/dbraw/zinc/06/30/84/179063084.db2.gz FNFWBBVYTCVGRV-CQSZACIVSA-N 1 1 266.385 1.092 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1Cn1cnc2cnccc2c1=O ZINC000584895005 349355030 /nfs/dbraw/zinc/35/50/30/349355030.db2.gz ZWYILHDIBMUWRU-LLVKDONJSA-N 1 1 258.325 1.276 50 0 CDAAMO CS[C@@H](C)C(=O)N(C)CCCC[NH+]1CCOCC1 ZINC000584900279 349362125 /nfs/dbraw/zinc/36/21/25/349362125.db2.gz ZOKVVQHFASAETE-LBPRGKRZSA-N 1 1 274.430 1.309 50 0 CDAAMO Cc1ccc([C@@H](C(=O)N(C)CC2(CO)CC2)[NH+](C)C)cc1 ZINC000091289485 180121820 /nfs/dbraw/zinc/12/18/20/180121820.db2.gz HAAJDQAUJBYCPU-HNNXBMFYSA-N 1 1 290.407 1.829 50 0 CDAAMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000106748954 186134455 /nfs/dbraw/zinc/13/44/55/186134455.db2.gz RUSNLNPJIHBXCX-LSDHHAIUSA-N 1 1 296.436 1.578 50 0 CDAAMO CC[C@@H]1CN(Cc2cc(C)no2)CC[N@H+]1C[C@H](C)O ZINC000106841072 186139435 /nfs/dbraw/zinc/13/94/35/186139435.db2.gz ZVFBVLKKHKUFJP-QWHCGFSZSA-N 1 1 267.373 1.260 50 0 CDAAMO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NC1CCC(C)CC1 ZINC000106846263 186140189 /nfs/dbraw/zinc/14/01/89/186140189.db2.gz VLFZCQXTAJIYBG-OOJKYFRXSA-N 1 1 282.428 1.917 50 0 CDAAMO CC[C@@H]1CN(CCc2ccccn2)CC[N@H+]1C[C@H](C)O ZINC000106844385 186140348 /nfs/dbraw/zinc/14/03/48/186140348.db2.gz 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264.373 1.434 50 0 CDAAMO CCCN(CCO)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095379003 358689489 /nfs/dbraw/zinc/68/94/89/358689489.db2.gz ZJLIHJAMBFTELO-HNNXBMFYSA-N 1 1 278.396 1.829 50 0 CDAAMO CCNC(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437129 358694267 /nfs/dbraw/zinc/69/42/67/358694267.db2.gz MRPRIJPTOPNHOV-UHFFFAOYSA-N 1 1 268.748 1.587 50 0 CDAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]2C1=O ZINC000097334190 358767897 /nfs/dbraw/zinc/76/78/97/358767897.db2.gz TYAXPLXUVJGZHA-PHIMTYICSA-N 1 1 296.729 1.526 50 0 CDAAMO CCc1ncc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 ZINC000097600920 358786593 /nfs/dbraw/zinc/78/65/93/358786593.db2.gz IRIAASWMDZWCPD-GFCCVEGCSA-N 1 1 288.351 1.665 50 0 CDAAMO Cc1[nH+]ccn1CC1CCN(Cc2ncc[nH]2)CC1 ZINC000215821674 358904555 /nfs/dbraw/zinc/90/45/55/358904555.db2.gz ISNRBUWKRNIGJD-UHFFFAOYSA-N 1 1 259.357 1.827 50 0 CDAAMO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000215811903 358904658 /nfs/dbraw/zinc/90/46/58/358904658.db2.gz JWWFHRHEMJTRLF-AWEZNQCLSA-N 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Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000065383662 281378516 /nfs/dbraw/zinc/37/85/16/281378516.db2.gz JCWHFWSTRDMDFF-OAHLLOKOSA-N 1 1 257.337 1.812 50 0 CDAAMO C[C@H](C(=O)NCc1cc[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000534584083 328310363 /nfs/dbraw/zinc/31/03/63/328310363.db2.gz QTJIXNFDNNLNCF-GFCCVEGCSA-N 1 1 284.363 1.473 50 0 CDAAMO C[C@H](C(=O)NCc1cc[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000534584083 328310365 /nfs/dbraw/zinc/31/03/65/328310365.db2.gz QTJIXNFDNNLNCF-GFCCVEGCSA-N 1 1 284.363 1.473 50 0 CDAAMO C[C@H](CCn1cccn1)[NH2+]Cc1nc(C2CC2)no1 ZINC000534587276 328316075 /nfs/dbraw/zinc/31/60/75/328316075.db2.gz HLIUIOMEVWCUNJ-SNVBAGLBSA-N 1 1 261.329 1.712 50 0 CDAAMO C[NH2+]Cc1nnc(NCCc2nc(C)c(C)s2)o1 ZINC001772709604 1159443685 /nfs/dbraw/zinc/44/36/85/1159443685.db2.gz KYYUUPILJSGLAL-UHFFFAOYSA-N 1 1 267.358 1.517 50 0 CDAAMO [NH3+]Cc1nnc(N2CCC(Cc3ccccc3)CC2)o1 ZINC000011587228 1159553351 /nfs/dbraw/zinc/55/33/51/1159553351.db2.gz BSVGDDKPIOIYIJ-UHFFFAOYSA-N 1 1 272.352 1.987 50 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CCCCc1ncc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)[nH]1 ZINC000091468513 180164963 /nfs/dbraw/zinc/16/49/63/180164963.db2.gz KBKSMBYDUOLUPP-KGLIPLIRSA-N 1 1 262.401 1.921 50 0 CDAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000091664796 180221081 /nfs/dbraw/zinc/22/10/81/180221081.db2.gz IDCCHDGTOHSHSC-HNNXBMFYSA-N 1 1 279.384 1.275 50 0 CDAAMO COC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)noc1C)C2 ZINC000091830368 180265888 /nfs/dbraw/zinc/26/58/88/180265888.db2.gz YBKCRAGIVCBTBY-QWHCGFSZSA-N 1 1 293.367 1.954 50 0 CDAAMO CCc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)nc(C)n1 ZINC000091943807 180290316 /nfs/dbraw/zinc/29/03/16/180290316.db2.gz VHOMQEILTZJXNZ-ZIAGYGMSSA-N 1 1 292.427 1.344 50 0 CDAAMO COCC[C@]1(O)CC[N@@H+](CCCn2cc(C)cn2)C[C@H]1C ZINC000091964832 180293995 /nfs/dbraw/zinc/29/39/95/180293995.db2.gz JIAVALZRYMXDBX-HZPDHXFCSA-N 1 1 295.427 1.691 50 0 CDAAMO CCC[C@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1[NH3+] ZINC000092020190 180307365 /nfs/dbraw/zinc/30/73/65/180307365.db2.gz 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Cc1cccc([C@@H]2CCC[N@H+]2CCNS(C)(=O)=O)n1 ZINC000095968344 185046769 /nfs/dbraw/zinc/04/67/69/185046769.db2.gz LVXCEKYPUZFXCV-ZDUSSCGKSA-N 1 1 283.397 1.076 50 0 CDAAMO NC(=O)c1ccc(CSCC[NH+]2CCOCC2)cc1 ZINC000095977048 185051954 /nfs/dbraw/zinc/05/19/54/185051954.db2.gz MGCHETALRRPPRZ-UHFFFAOYSA-N 1 1 280.393 1.351 50 0 CDAAMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000242324462 361756309 /nfs/dbraw/zinc/75/63/09/361756309.db2.gz ZBMCMSCCPQEYJU-NSHDSACASA-N 1 1 293.367 1.081 50 0 CDAAMO Cc1noc(C)c1[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089526200 539087478 /nfs/dbraw/zinc/08/74/78/539087478.db2.gz BIMIPTOJMCGALD-UWVGGRQHSA-N 1 1 265.357 1.557 50 0 CDAAMO Cc1noc(C)c1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089526200 539087479 /nfs/dbraw/zinc/08/74/79/539087479.db2.gz BIMIPTOJMCGALD-UWVGGRQHSA-N 1 1 265.357 1.557 50 0 CDAAMO Cc1ccn(CC[N@H+](C)[C@H](C)Cc2cnccn2)n1 ZINC000244685566 361856961 /nfs/dbraw/zinc/85/69/61/361856961.db2.gz ISMUEWMXHMOUJD-CYBMUJFWSA-N 1 1 259.357 1.545 50 0 CDAAMO COc1cc(C[C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)ccn1 ZINC000585140589 342218700 /nfs/dbraw/zinc/21/87/00/342218700.db2.gz HGUAZWAQUMLMOP-QWRGUYRKSA-N 1 1 275.356 1.501 50 0 CDAAMO C[C@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000257366434 539096213 /nfs/dbraw/zinc/09/62/13/539096213.db2.gz YSGOWBYUNSKGGG-GZMMTYOYSA-N 1 1 290.335 1.193 50 0 CDAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000257366434 539096214 /nfs/dbraw/zinc/09/62/14/539096214.db2.gz YSGOWBYUNSKGGG-GZMMTYOYSA-N 1 1 290.335 1.193 50 0 CDAAMO CCc1cc(NC[C@H](C)C[NH+]2CCOCC2)nc(C)n1 ZINC000272805128 529557438 /nfs/dbraw/zinc/55/74/38/529557438.db2.gz BHIIYXIIRXFWIM-LBPRGKRZSA-N 1 1 278.400 1.728 50 0 CDAAMO c1cn([C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)CC2)nn1 ZINC000585116340 362043770 /nfs/dbraw/zinc/04/37/70/362043770.db2.gz RBLIVZWAXAORLQ-HUUCEWRRSA-N 1 1 294.399 1.848 50 0 CDAAMO Cc1cc(NC(=O)CC[N@H+](C)CC2(O)CCCC2)no1 ZINC000084119909 362258096 /nfs/dbraw/zinc/25/80/96/362258096.db2.gz OONXUGUANJGYPU-UHFFFAOYSA-N 1 1 281.356 1.549 50 0 CDAAMO COc1ccccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089937761 362323592 /nfs/dbraw/zinc/32/35/92/362323592.db2.gz VXWNCDJFTYBMHI-MMQHEFTJSA-N 1 1 274.364 1.871 50 0 CDAAMO C[NH+](C)[C@@H](CNC(=O)c1cn2ccccc2n1)c1ccco1 ZINC000005266994 362328782 /nfs/dbraw/zinc/32/87/82/362328782.db2.gz ALYIZIYFKYBSBY-ZDUSSCGKSA-N 1 1 298.346 1.960 50 0 CDAAMO C[C@@H](C(N)=O)[C@H]([NH3+])c1nc2cc(C(C)(C)C)ccc2[nH]1 ZINC000143812640 344211058 /nfs/dbraw/zinc/21/10/58/344211058.db2.gz APWZIFIAVVFPNT-PELKAZGASA-N 1 1 274.368 1.982 50 0 investigational CDAAMO C[C@@H](C(N)=O)[C@H]([NH3+])c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000143812640 344211060 /nfs/dbraw/zinc/21/10/60/344211060.db2.gz APWZIFIAVVFPNT-PELKAZGASA-N 1 1 274.368 1.982 50 0 investigational CDAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1cncn1CC(C)C ZINC000252479834 362383702 /nfs/dbraw/zinc/38/37/02/362383702.db2.gz BNMLNRHYZASBMN-LBPRGKRZSA-N 1 1 266.389 1.496 50 0 CDAAMO C[N@H+]1CC[C@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000252488619 362386730 /nfs/dbraw/zinc/38/67/30/362386730.db2.gz IVQLVIVGZQXYNI-AWEZNQCLSA-N 1 1 277.387 1.899 50 0 CDAAMO Cc1c(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)cnn1C ZINC000584889539 349348741 /nfs/dbraw/zinc/34/87/41/349348741.db2.gz RVRVIZLKMPFAPX-GFCCVEGCSA-N 1 1 289.383 1.926 50 0 CDAAMO C[N@@H+]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CCO ZINC000584893527 349353374 /nfs/dbraw/zinc/35/33/74/349353374.db2.gz IOCQCUIOKBCIRC-GFCCVEGCSA-N 1 1 254.374 1.092 50 0 CDAAMO C[N@H+]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CCO ZINC000584893527 349353378 /nfs/dbraw/zinc/35/33/78/349353378.db2.gz IOCQCUIOKBCIRC-GFCCVEGCSA-N 1 1 254.374 1.092 50 0 CDAAMO CC[C@H](NC(=O)CCC[NH+]1CCOCC1)c1ccncc1 ZINC000584895574 349355943 /nfs/dbraw/zinc/35/59/43/349355943.db2.gz VRBWINUYEBQWKB-HNNXBMFYSA-N 1 1 291.395 1.761 50 0 CDAAMO CC[C@@H](CNc1nc(N)nc(C)c1C)[N@H+](C)CC ZINC000091551310 180189106 /nfs/dbraw/zinc/18/91/06/180189106.db2.gz NSFWOMHZPJMLMJ-NSHDSACASA-N 1 1 251.378 1.818 50 0 CDAAMO CC[C@@H](CNc1nc(N)nc(C)c1C)[N@@H+](C)CC ZINC000091551310 180189107 /nfs/dbraw/zinc/18/91/07/180189107.db2.gz NSFWOMHZPJMLMJ-NSHDSACASA-N 1 1 251.378 1.818 50 0 CDAAMO CCc1cnc(N)nc1NCCC[N@H+]1CCCC[C@H]1CO ZINC000091819435 180263711 /nfs/dbraw/zinc/26/37/11/180263711.db2.gz JPGQFGPCNBGDHS-ZDUSSCGKSA-N 1 1 293.415 1.270 50 0 CDAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000106059882 186100288 /nfs/dbraw/zinc/10/02/88/186100288.db2.gz OMFBYUQFHOHFMH-HZPDHXFCSA-N 1 1 288.391 1.946 50 0 CDAAMO COc1ncccc1C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000193573912 362963170 /nfs/dbraw/zinc/96/31/70/362963170.db2.gz NOCAKIYTRXPEDZ-AAEUAGOBSA-N 1 1 250.342 1.947 50 0 CDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000012861594 363251410 /nfs/dbraw/zinc/25/14/10/363251410.db2.gz OUQVUNYTQWLXGF-UWVGGRQHSA-N 1 1 264.377 1.313 50 0 CDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000012861594 363251415 /nfs/dbraw/zinc/25/14/15/363251415.db2.gz OUQVUNYTQWLXGF-UWVGGRQHSA-N 1 1 264.377 1.313 50 0 CDAAMO Cc1ccc(NCCCNC(=O)Cc2cccnc2)[nH+]c1 ZINC000265634253 363359650 /nfs/dbraw/zinc/35/96/50/363359650.db2.gz SOGHKYIKQAVKTP-UHFFFAOYSA-N 1 1 284.363 1.946 50 0 CDAAMO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(N)=O)CC2)cc1 ZINC000014325770 366161878 /nfs/dbraw/zinc/16/18/78/366161878.db2.gz MDSSYEIHFWDPKG-LLVKDONJSA-N 1 1 290.363 1.464 50 0 CDAAMO C[NH+](C)CC(=O)Nc1ccccc1Br ZINC000002861174 355984296 /nfs/dbraw/zinc/98/42/96/355984296.db2.gz HRPBOJWDVDHWEP-UHFFFAOYSA-N 1 1 257.131 1.949 50 0 CDAAMO CCOc1ccc(N(C)C(=O)[C@H]([C@H](C)O)[NH+](C)C)cc1 ZINC000002039715 355958181 /nfs/dbraw/zinc/95/81/81/355958181.db2.gz MCLMACLXARTOSR-FZMZJTMJSA-N 1 1 280.368 1.359 50 0 CDAAMO OCC[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000004050530 356017116 /nfs/dbraw/zinc/01/71/16/356017116.db2.gz FTDPRWLODNNXTF-SNVBAGLBSA-N 1 1 255.280 1.537 50 0 CDAAMO C[NH+]1CCN(NC(=O)/C=C/c2c(F)cccc2Cl)CC1 ZINC000002773264 356107036 /nfs/dbraw/zinc/10/70/36/356107036.db2.gz VRNQGDGGTMDZKI-AATRIKPKSA-N 1 1 297.761 1.771 50 0 CDAAMO NNc1[nH+]cc(Cl)cc1I ZINC000012359357 356294970 /nfs/dbraw/zinc/29/49/70/356294970.db2.gz SMVJKHCZAOIBLS-UHFFFAOYSA-N 1 1 269.473 1.625 50 0 CDAAMO COCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193921557 358501575 /nfs/dbraw/zinc/50/15/75/358501575.db2.gz IDLKNFJVJNTPJG-HNNXBMFYSA-N 1 1 291.395 1.454 50 0 CDAAMO Cc1cccc2c(=O)c(CN3CC[NH+](C)CC3)c(C)[nH]c12 ZINC000019236706 356477827 /nfs/dbraw/zinc/47/78/27/356477827.db2.gz OEAIYLPNEPKELV-UHFFFAOYSA-N 1 1 285.391 1.892 50 0 CDAAMO Cc1cccc2c(=O)c(C[NH+]3CCN(C)CC3)c(C)[nH]c12 ZINC000019236706 356477830 /nfs/dbraw/zinc/47/78/30/356477830.db2.gz OEAIYLPNEPKELV-UHFFFAOYSA-N 1 1 285.391 1.892 50 0 CDAAMO CCN1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000019790738 356504295 /nfs/dbraw/zinc/50/42/95/356504295.db2.gz GBSKQYUVKRBSIL-MRXNPFEDSA-N 1 1 292.423 1.681 50 0 CDAAMO COc1ccc(OC)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000019841438 356509792 /nfs/dbraw/zinc/50/97/92/356509792.db2.gz GJYBDQMPTYSPKX-UHFFFAOYSA-N 1 1 294.351 1.365 50 0 CDAAMO COc1cc(NC(=O)CC[NH+]2CCOCC2)cc(OC)c1 ZINC000019841472 356509836 /nfs/dbraw/zinc/50/98/36/356509836.db2.gz RWKFXXGWLPUKLA-UHFFFAOYSA-N 1 1 294.351 1.365 50 0 CDAAMO CCCN1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757100 356813263 /nfs/dbraw/zinc/81/32/63/356813263.db2.gz BFHADDFHSMDVKN-GFCCVEGCSA-N 1 1 253.390 1.058 50 0 CDAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757100 356813265 /nfs/dbraw/zinc/81/32/65/356813265.db2.gz BFHADDFHSMDVKN-GFCCVEGCSA-N 1 1 253.390 1.058 50 0 CDAAMO Cc1c(C)c(C)c(S(=O)(=O)N2CC[NH2+]CC2)c(C)c1C ZINC000034781247 356820448 /nfs/dbraw/zinc/82/04/48/356820448.db2.gz XJXUQRNJJYGDSL-UHFFFAOYSA-N 1 1 296.436 1.823 50 0 CDAAMO Cc1nc(N(C)C)nc(NC2CC[NH+](C)CC2)c1C ZINC000032516053 356781828 /nfs/dbraw/zinc/78/18/28/356781828.db2.gz VZKCKGAYTLPCIR-UHFFFAOYSA-N 1 1 263.389 1.666 50 0 CDAAMO COCC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363514 357032940 /nfs/dbraw/zinc/03/29/40/357032940.db2.gz DITBRDNOMCUJNA-UHFFFAOYSA-N 1 1 268.382 1.429 50 0 CDAAMO C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H](C)N1C[C@@H]1CCOC1 ZINC000255961404 357353399 /nfs/dbraw/zinc/35/33/99/357353399.db2.gz DXKAABMWUJOQEF-QXSJWSMHSA-N 1 1 282.428 1.454 50 0 CDAAMO C[C@@H]1CN(C[C@H]2CCOC2)C[C@H](C)[N@H+]1C[C@@H]1CCOC1 ZINC000255961404 357353405 /nfs/dbraw/zinc/35/34/05/357353405.db2.gz DXKAABMWUJOQEF-QXSJWSMHSA-N 1 1 282.428 1.454 50 0 CDAAMO C[C@@H]1CN(C[C@H]2CCOC2)C[C@H](C)[N@@H+]1C[C@@H]1CCOC1 ZINC000255961404 357353409 /nfs/dbraw/zinc/35/34/09/357353409.db2.gz DXKAABMWUJOQEF-QXSJWSMHSA-N 1 1 282.428 1.454 50 0 CDAAMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000067712786 357620115 /nfs/dbraw/zinc/62/01/15/357620115.db2.gz WYDNCFWFTOPPFI-JTQLQIEISA-N 1 1 266.316 1.516 50 0 CDAAMO Nc1nc(N2CCCCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426387347 283278477 /nfs/dbraw/zinc/27/84/77/283278477.db2.gz WPDNANFOWLVJIY-LLVKDONJSA-N 1 1 262.357 1.773 50 0 CDAAMO CCNc1cc[nH+]c(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000071764051 357780330 /nfs/dbraw/zinc/78/03/30/357780330.db2.gz JRINYIGQSMZOAP-MRVPVSSYSA-N 1 1 276.262 1.676 50 0 CDAAMO CC(C)(O)CCc1ccc(C[N@H+]2CC[C@@](O)(CO)C2)cc1 ZINC000072423382 357834094 /nfs/dbraw/zinc/83/40/94/357834094.db2.gz AKUMMXQJPZNHNE-KRWDZBQOSA-N 1 1 293.407 1.319 50 0 CDAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C(C)(C)CO ZINC000097096413 357953569 /nfs/dbraw/zinc/95/35/69/357953569.db2.gz UVSQKOLODPAZDB-UHFFFAOYSA-N 1 1 278.396 1.981 50 0 CDAAMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)nc1 ZINC000097104498 357968453 /nfs/dbraw/zinc/96/84/53/357968453.db2.gz NVDVKJWJAUQYII-RISCZKNCSA-N 1 1 250.342 1.683 50 0 CDAAMO CNC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000079504803 283305664 /nfs/dbraw/zinc/30/56/64/283305664.db2.gz OXFDQEREQYEQNH-UHFFFAOYSA-N 1 1 256.415 1.874 50 0 CDAAMO O[C@@H]1COCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000077438510 358018588 /nfs/dbraw/zinc/01/85/88/358018588.db2.gz MSOBCGVOANDRFJ-AWEZNQCLSA-N 1 1 265.353 1.539 50 0 CDAAMO CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364253805 358126945 /nfs/dbraw/zinc/12/69/45/358126945.db2.gz GMWJYEIZJQRLCX-CHWSQXEVSA-N 1 1 277.368 1.987 50 0 CDAAMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000543731727 358557218 /nfs/dbraw/zinc/55/72/18/358557218.db2.gz ULNHNVOVNWBCEQ-CKXPSTMWSA-N 1 1 287.363 1.749 50 0 CDAAMO CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560649 /nfs/dbraw/zinc/56/06/49/358560649.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 1 1 293.411 1.963 50 0 CDAAMO CCN1CC[C@@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560669 /nfs/dbraw/zinc/56/06/69/358560669.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 1 1 293.411 1.963 50 0 CDAAMO CCN1CC[C@@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560672 /nfs/dbraw/zinc/56/06/72/358560672.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 1 1 293.411 1.963 50 0 CDAAMO Cc1ccc([C@@H](C(=O)NCc2ccon2)[NH+](C)C)cc1 ZINC000095389255 358692299 /nfs/dbraw/zinc/69/22/99/358692299.db2.gz TVRHNEPCANDRKO-AWEZNQCLSA-N 1 1 273.336 1.902 50 0 CDAAMO CCn1ncnc1C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000216034331 358919341 /nfs/dbraw/zinc/91/93/41/358919341.db2.gz VXOKSIGURNOQBR-HNNXBMFYSA-N 1 1 272.352 1.392 50 0 CDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2ccc(Cl)cc2O)C1 ZINC000215586890 358895388 /nfs/dbraw/zinc/89/53/88/358895388.db2.gz CYPGRPFJDVPCHW-JTQLQIEISA-N 1 1 298.770 1.354 50 0 CDAAMO CCn1ncnc1C[N@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000216034331 358919346 /nfs/dbraw/zinc/91/93/46/358919346.db2.gz VXOKSIGURNOQBR-HNNXBMFYSA-N 1 1 272.352 1.392 50 0 CDAAMO CCn1ncnc1C[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000216034291 358919370 /nfs/dbraw/zinc/91/93/70/358919370.db2.gz VXOKSIGURNOQBR-OAHLLOKOSA-N 1 1 272.352 1.392 50 0 CDAAMO CCn1ncnc1C[N@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000216034291 358919374 /nfs/dbraw/zinc/91/93/74/358919374.db2.gz VXOKSIGURNOQBR-OAHLLOKOSA-N 1 1 272.352 1.392 50 0 CDAAMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000095463820 358923348 /nfs/dbraw/zinc/92/33/48/358923348.db2.gz 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/nfs/dbraw/zinc/13/28/42/171132842.db2.gz GTHOTHBDECTHNG-UHFFFAOYSA-N 1 1 291.376 1.137 50 0 CDAAMO COC(=O)[C@H](C(=O)N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000020294669 171134903 /nfs/dbraw/zinc/13/49/03/171134903.db2.gz DUGLQMWUJOTHBL-AWEZNQCLSA-N 1 1 296.411 1.520 50 0 CDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccncc2)C[C@H](C)O1 ZINC000021054520 171295431 /nfs/dbraw/zinc/29/54/31/171295431.db2.gz HBLLALBBVWJATP-BETUJISGSA-N 1 1 291.395 1.699 50 0 CDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccncc2)C[C@H](C)O1 ZINC000021054520 171295432 /nfs/dbraw/zinc/29/54/32/171295432.db2.gz HBLLALBBVWJATP-BETUJISGSA-N 1 1 291.395 1.699 50 0 CDAAMO Cc1cc(N(C)Cc2nc3ccccc3c(=O)[nH]2)nc(C)[nH+]1 ZINC000036393411 172631519 /nfs/dbraw/zinc/63/15/19/172631519.db2.gz JGOSCXKTTYNOEQ-UHFFFAOYSA-N 1 1 295.346 1.966 50 0 CDAAMO COc1cccc([C@H](CO)[NH2+]Cc2cnn3c2CCC3)c1 ZINC000657374187 414243095 /nfs/dbraw/zinc/24/30/95/414243095.db2.gz GRNUXMVATHFSJA-HNNXBMFYSA-N 1 1 287.363 1.661 50 0 CDAAMO 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265.382 1.554 50 0 CDAAMO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000035999637 304778508 /nfs/dbraw/zinc/77/85/08/304778508.db2.gz ORKWJTQNAUIMAZ-UHFFFAOYSA-N 1 1 294.298 1.299 50 0 CDAAMO COCC[N@H+](C)CC(=O)NCc1nc2c(cccc2C)o1 ZINC000534581720 328312167 /nfs/dbraw/zinc/31/21/67/328312167.db2.gz NIPUAKJRTITWMJ-UHFFFAOYSA-N 1 1 291.351 1.331 50 0 CDAAMO COCC[N@@H+](C)CC(=O)NCc1nc2c(cccc2C)o1 ZINC000534581720 328312168 /nfs/dbraw/zinc/31/21/68/328312168.db2.gz NIPUAKJRTITWMJ-UHFFFAOYSA-N 1 1 291.351 1.331 50 0 CDAAMO C[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000534652355 328338006 /nfs/dbraw/zinc/33/80/06/328338006.db2.gz WHAGOJUBVIJTBF-AWEZNQCLSA-N 1 1 278.352 1.072 50 0 CDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCCc2ncc[nH]2)C1 ZINC000534659530 328342217 /nfs/dbraw/zinc/34/22/17/328342217.db2.gz HOLHRQPAQGHXLL-LBPRGKRZSA-N 1 1 291.399 1.220 50 0 CDAAMO Fc1cnc(NC[C@@H]2CC[N@H+](C3CCCC3)C2)nc1 ZINC000534648186 328343269 /nfs/dbraw/zinc/34/32/69/328343269.db2.gz HKAYIDQVMCDHEO-NSHDSACASA-N 1 1 264.348 1.714 50 0 CDAAMO C[NH2+]Cc1nnc(NCCOc2ccc(C)c(C)c2)o1 ZINC001772710378 1159444493 /nfs/dbraw/zinc/44/44/93/1159444493.db2.gz QTOHNECMMKYQNJ-UHFFFAOYSA-N 1 1 276.340 1.897 50 0 CDAAMO CN(C)C[C@@]12C[NH2+]C[C@H]1CN(c1ncc(Cl)cc1F)C2 ZINC001772712026 1159444997 /nfs/dbraw/zinc/44/49/97/1159444997.db2.gz ZNICZYJSQIIOBV-IINYFYTJSA-N 1 1 298.793 1.462 50 0 CDAAMO COc1ccc(OCCC[N@@H+]2C[C@@H]3[C@H](O)C[C@@H]3C2)cc1 ZINC001772711792 1159445266 /nfs/dbraw/zinc/44/52/66/1159445266.db2.gz KFIUFLVVAFNNMC-UHOFOFEASA-N 1 1 277.364 1.777 50 0 CDAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCc1cccc2ccccc21 ZINC000108083112 482449456 /nfs/dbraw/zinc/44/94/56/482449456.db2.gz GCVWIEJGEDUPJV-WBVHZDCISA-N 1 1 298.386 1.693 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000670434571 482970706 /nfs/dbraw/zinc/97/07/06/482970706.db2.gz XMLHMPYHBNTQEH-GFCCVEGCSA-N 1 1 287.367 1.232 50 0 CDAAMO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCCNC(=O)C2)n1 ZINC000670438009 482980684 /nfs/dbraw/zinc/98/06/84/482980684.db2.gz PLCFSWAWAAPKHL-UHFFFAOYSA-N 1 1 298.390 1.811 50 0 CDAAMO Cc1cc(C)n(-c2ccccc2C[N@H+]2CCCNC(=O)C2)n1 ZINC000670438009 482980686 /nfs/dbraw/zinc/98/06/86/482980686.db2.gz PLCFSWAWAAPKHL-UHFFFAOYSA-N 1 1 298.390 1.811 50 0 CDAAMO CN(C)C(=O)c1cncc(NC[C@H]2CCCC[N@H+]2C)n1 ZINC000670445956 482994690 /nfs/dbraw/zinc/99/46/90/482994690.db2.gz RBHVIKAZKUQLBR-LLVKDONJSA-N 1 1 277.372 1.075 50 0 CDAAMO CSCC[NH+]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000670448381 483004498 /nfs/dbraw/zinc/00/44/98/483004498.db2.gz JDIJSSRZCNYTLM-AZOBVAEKSA-N 1 1 294.464 1.786 50 0 CDAAMO CCOc1ccnc(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC000670451386 483012678 /nfs/dbraw/zinc/01/26/78/483012678.db2.gz KAWLMUPVXPGFHE-UHFFFAOYSA-N 1 1 293.415 1.313 50 0 CDAAMO CCCOC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000670460677 483042288 /nfs/dbraw/zinc/04/22/88/483042288.db2.gz HMQDHQRUFFZFRN-ZDUSSCGKSA-N 1 1 254.374 1.357 50 0 CDAAMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000674924364 483189078 /nfs/dbraw/zinc/18/90/78/483189078.db2.gz FOSYVWHOJMLFFT-GDBMZVCRSA-N 1 1 293.411 1.293 50 0 CDAAMO CN1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506426413 1160723016 /nfs/dbraw/zinc/72/30/16/1160723016.db2.gz GSNOIJCWWSGGME-MRXNPFEDSA-N 1 1 259.397 1.903 50 0 CDAAMO C[N@@H+]1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506426413 1160723024 /nfs/dbraw/zinc/72/30/24/1160723024.db2.gz GSNOIJCWWSGGME-MRXNPFEDSA-N 1 1 259.397 1.903 50 0 CDAAMO C[N@H+]1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506426413 1160723030 /nfs/dbraw/zinc/72/30/30/1160723030.db2.gz GSNOIJCWWSGGME-MRXNPFEDSA-N 1 1 259.397 1.903 50 0 CDAAMO CC[C@](C)([NH2+]CC(=O)NC(=O)NC)c1nc(C)cs1 ZINC000096443565 529369728 /nfs/dbraw/zinc/36/97/28/529369728.db2.gz FDBXIPJCVYURDK-LBPRGKRZSA-N 1 1 284.385 1.122 50 0 CDAAMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000097142295 567904997 /nfs/dbraw/zinc/90/49/97/567904997.db2.gz LEBSEOHEZBHKSO-LBPRGKRZSA-N 1 1 291.424 1.755 50 0 CDAAMO C[N@H+]1CCO[C@@H]2CCN(c3ccncc3Cl)C[C@@H]21 ZINC000285130100 567905192 /nfs/dbraw/zinc/90/51/92/567905192.db2.gz SANOBTUFOWEENW-QWHCGFSZSA-N 1 1 267.760 1.644 50 0 CDAAMO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000386347387 604963659 /nfs/dbraw/zinc/96/36/59/604963659.db2.gz AVXSWYMVIPYYFX-AJNGGQMLSA-N 1 1 296.411 1.161 50 0 CDAAMO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000386347387 604963665 /nfs/dbraw/zinc/96/36/65/604963665.db2.gz AVXSWYMVIPYYFX-AJNGGQMLSA-N 1 1 296.411 1.161 50 0 CDAAMO Cc1ccc(C(=O)OC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000888099506 617763544 /nfs/dbraw/zinc/76/35/44/617763544.db2.gz NMJSMFXKZCNUOC-NSHDSACASA-N 1 1 267.300 1.622 50 0 CDAAMO Cc1ccc(C(=O)OC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000888099506 617763549 /nfs/dbraw/zinc/76/35/49/617763549.db2.gz NMJSMFXKZCNUOC-NSHDSACASA-N 1 1 267.300 1.622 50 0 CDAAMO c1ncn(CC[N@H+]2CCC[C@@H](OCc3ccccn3)C2)n1 ZINC001704355535 1177699131 /nfs/dbraw/zinc/69/91/31/1177699131.db2.gz PZCXSVRGLMPMIR-OAHLLOKOSA-N 1 1 287.367 1.354 50 0 CDAAMO CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC000067689296 833218935 /nfs/dbraw/zinc/21/89/35/833218935.db2.gz WDLIFWIMYSPGKX-ZDUSSCGKSA-N 1 1 278.400 1.755 50 0 CDAAMO C[C@]1(CNC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccccc1 ZINC000188257059 833287957 /nfs/dbraw/zinc/28/79/57/833287957.db2.gz OXZGTTGRDOCUCC-MRXNPFEDSA-N 1 1 299.378 1.589 50 0 CDAAMO C[C@]1(CNC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000188257059 833287962 /nfs/dbraw/zinc/28/79/62/833287962.db2.gz OXZGTTGRDOCUCC-MRXNPFEDSA-N 1 1 299.378 1.589 50 0 CDAAMO C[C@]1(CNC(=O)c2cnn[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000188257059 833287967 /nfs/dbraw/zinc/28/79/67/833287967.db2.gz OXZGTTGRDOCUCC-MRXNPFEDSA-N 1 1 299.378 1.589 50 0 CDAAMO CCn1cncc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000244852523 833390117 /nfs/dbraw/zinc/39/01/17/833390117.db2.gz UTXCLVPFEUDSHP-LBPRGKRZSA-N 1 1 250.346 1.004 50 0 CDAAMO CCn1cncc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000244852523 833390120 /nfs/dbraw/zinc/39/01/20/833390120.db2.gz UTXCLVPFEUDSHP-LBPRGKRZSA-N 1 1 250.346 1.004 50 0 CDAAMO CC[N@H+]1CCC[C@H]1CN(C)CC1(CO)CCCC1 ZINC000092672537 829825160 /nfs/dbraw/zinc/82/51/60/829825160.db2.gz XYLPKQVYOPPDKW-AWEZNQCLSA-N 1 1 254.418 1.955 50 0 CDAAMO CCN1CCC[C@H]1C[N@H+](C)CC1(CO)CCCC1 ZINC000092672537 829825166 /nfs/dbraw/zinc/82/51/66/829825166.db2.gz XYLPKQVYOPPDKW-AWEZNQCLSA-N 1 1 254.418 1.955 50 0 CDAAMO CCN1CCC[C@H]1C[N@@H+](C)CC1(CO)CCCC1 ZINC000092672537 829825168 /nfs/dbraw/zinc/82/51/68/829825168.db2.gz XYLPKQVYOPPDKW-AWEZNQCLSA-N 1 1 254.418 1.955 50 0 CDAAMO OC[C@H]1CCCC[N@H+]1CCNc1ncc(Cl)cn1 ZINC000952968735 833832517 /nfs/dbraw/zinc/83/25/17/833832517.db2.gz DBJGIJJCNMQRPF-LLVKDONJSA-N 1 1 270.764 1.389 50 0 CDAAMO CCN1CCC[C@@](C)(C[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539774 834060788 /nfs/dbraw/zinc/06/07/88/834060788.db2.gz XJCQVGGYQAVAFX-HUUCEWRRSA-N 1 1 254.418 1.813 50 0 CDAAMO CCN1CCC[C@@](C)(C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539774 834060799 /nfs/dbraw/zinc/06/07/99/834060799.db2.gz XJCQVGGYQAVAFX-HUUCEWRRSA-N 1 1 254.418 1.813 50 0 CDAAMO O=C1CC[C@@H](C[N@H+]2CCCN(c3ccccc3)CC2)O1 ZINC000821363143 834999143 /nfs/dbraw/zinc/99/91/43/834999143.db2.gz UHURKNWFGNTXBR-HNNXBMFYSA-N 1 1 274.364 1.904 50 0 CDAAMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CCCn1cnnn1)C2 ZINC000252500699 835609739 /nfs/dbraw/zinc/60/97/39/835609739.db2.gz TUGLAPPVNUWDOJ-TZMCWYRMSA-N 1 1 263.389 1.964 50 0 CDAAMO Cc1nc(CO[C@H]2CCC[N@H+](C3CCOCC3)C2)no1 ZINC000675017735 899871103 /nfs/dbraw/zinc/87/11/03/899871103.db2.gz YKOLODHCQPMEFI-ZDUSSCGKSA-N 1 1 281.356 1.538 50 0 CDAAMO CNc1nc(NC[C@H]2CCC[N@@H+](C)C2)ncc1F ZINC000824090552 925799385 /nfs/dbraw/zinc/79/93/85/925799385.db2.gz YJUSBXSETHPLDN-SECBINFHSA-N 1 1 253.325 1.411 50 0 CDAAMO Cc1cc(C(=O)NCCc2[nH+]cc(C)n2C2CC2)n(C)n1 ZINC000581815295 927206183 /nfs/dbraw/zinc/20/61/83/927206183.db2.gz DDHOQSQAYFAJRI-UHFFFAOYSA-N 1 1 287.367 1.541 50 0 CDAAMO COCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)C(C)C)C1 ZINC000581816006 927207393 /nfs/dbraw/zinc/20/73/93/927207393.db2.gz LQMDGUBLYMOMTI-CYBMUJFWSA-N 1 1 279.384 1.810 50 0 CDAAMO Cc1noc([C@H]2C[N@H+](C[C@H]3CCCOCC3)CCN2C)n1 ZINC000585117579 930985698 /nfs/dbraw/zinc/98/56/98/930985698.db2.gz MADCIYZAVFVIPT-UONOGXRCSA-N 1 1 294.399 1.483 50 0 CDAAMO Cc1nccn1CCC[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000243957107 937588812 /nfs/dbraw/zinc/58/88/12/937588812.db2.gz CFUJSFQODVUYIW-ZDUSSCGKSA-N 1 1 273.384 1.935 50 0 CDAAMO COc1ncc(C[N@H+](C)CCOc2ccccc2)cn1 ZINC001206409312 940033574 /nfs/dbraw/zinc/03/35/74/940033574.db2.gz IOAXKPLYCLLWRE-UHFFFAOYSA-N 1 1 273.336 1.996 50 0 CDAAMO COc1ncc(C[N@@H+](C)CCOc2ccccc2)cn1 ZINC001206409312 940033576 /nfs/dbraw/zinc/03/35/76/940033576.db2.gz IOAXKPLYCLLWRE-UHFFFAOYSA-N 1 1 273.336 1.996 50 0 CDAAMO Cc1c[nH+]c(NC[C@@H]2CCCOC2)nc1N(C)C ZINC001529110034 968983267 /nfs/dbraw/zinc/98/32/67/968983267.db2.gz JFLIRAACDYWUAY-NSHDSACASA-N 1 1 250.346 1.690 50 0 CDAAMO Cc1cnc(C)c(NCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC001529112899 968983558 /nfs/dbraw/zinc/98/35/58/968983558.db2.gz VFFZWRJWNKTUBX-ZDUSSCGKSA-N 1 1 264.373 1.210 50 0 CDAAMO COCCn1cncc1C[N@H+]1CCC[C@@H](OC)C1 ZINC001529179364 969005444 /nfs/dbraw/zinc/00/54/44/969005444.db2.gz XAYPBTZCYZHDDU-CYBMUJFWSA-N 1 1 253.346 1.140 50 0 CDAAMO CCC(CC)(CO)C[N@@H+](C)Cc1cc(=O)[nH]c(C)n1 ZINC001506410000 975153387 /nfs/dbraw/zinc/15/33/87/975153387.db2.gz CCZFGWAXAFQFHK-UHFFFAOYSA-N 1 1 267.373 1.721 50 0 CDAAMO Cc1ccc(NCCCNC(=O)Cn2ccnc2)[nH+]c1 ZINC000096461203 230377751 /nfs/dbraw/zinc/37/77/51/230377751.db2.gz VEEFJWXFIBGKAJ-UHFFFAOYSA-N 1 1 273.340 1.205 50 0 CDAAMO Cc1occc1C(=O)OCC[NH+]1CCSCC1 ZINC000096461049 230377768 /nfs/dbraw/zinc/37/77/68/230377768.db2.gz RWHKBECQEIVDCO-UHFFFAOYSA-N 1 1 255.339 1.794 50 0 CDAAMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCn1cnnc1 ZINC000096466224 230378481 /nfs/dbraw/zinc/37/84/81/230378481.db2.gz ZHXPPMTWBBLKCM-KBPBESRZSA-N 1 1 293.415 1.247 50 0 CDAAMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCn1cnnc1 ZINC000096466224 230378482 /nfs/dbraw/zinc/37/84/82/230378482.db2.gz ZHXPPMTWBBLKCM-KBPBESRZSA-N 1 1 293.415 1.247 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1n1cnc2cccc(C)c2c1=O ZINC000584901171 341986730 /nfs/dbraw/zinc/98/67/30/341986730.db2.gz UMXHCLOEMVZXLD-KBPBESRZSA-N 1 1 287.363 1.597 50 0 CDAAMO CC[C@H](O)C[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000252486839 398216832 /nfs/dbraw/zinc/21/68/32/398216832.db2.gz HPGYJNZMMIOOGC-KRWDZBQOSA-N 1 1 291.439 1.791 50 0 CDAAMO COc1ccccc1OCCOCC[N@@H+](C)CCO ZINC000002980683 342089051 /nfs/dbraw/zinc/08/90/51/342089051.db2.gz CPDCMNPSNSTRST-UHFFFAOYSA-N 1 1 269.341 1.015 50 0 CDAAMO COCC[N@H+](C)CC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000244641264 361855375 /nfs/dbraw/zinc/85/53/75/361855375.db2.gz GMLPLFFIDDIOIG-AWEZNQCLSA-N 1 1 293.411 1.358 50 0 CDAAMO COCC[N@@H+](C)CC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000244641264 361855381 /nfs/dbraw/zinc/85/53/81/361855381.db2.gz GMLPLFFIDDIOIG-AWEZNQCLSA-N 1 1 293.411 1.358 50 0 CDAAMO C[C@H](C(=O)N1CCCC1)[N@@H+](C)CCCc1nccn1C ZINC000244858688 361866439 /nfs/dbraw/zinc/86/64/39/361866439.db2.gz VQJWZODYRRLCSV-CYBMUJFWSA-N 1 1 278.400 1.295 50 0 CDAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N(C)CC2CCOCC2)C1 ZINC000097032340 185156313 /nfs/dbraw/zinc/15/63/13/185156313.db2.gz IILQQJWNQRGIMR-HNNXBMFYSA-N 1 1 297.443 1.785 50 0 CDAAMO COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000685939471 539045531 /nfs/dbraw/zinc/04/55/31/539045531.db2.gz YGIMFILAPVATJM-KCXAZCMYSA-N 1 1 288.391 1.961 50 0 CDAAMO COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000685939471 539045532 /nfs/dbraw/zinc/04/55/32/539045532.db2.gz YGIMFILAPVATJM-KCXAZCMYSA-N 1 1 288.391 1.961 50 0 CDAAMO Cc1cncc(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000098019066 539095638 /nfs/dbraw/zinc/09/56/38/539095638.db2.gz CRWSDIPSBYHKQN-AWEZNQCLSA-N 1 1 291.420 1.653 50 0 CDAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C)C1 ZINC000078926020 362121330 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C[C@H]1C[NH+](CCOc2ccccc2CO)C[C@H](C)O1 ZINC000016488328 262045784 /nfs/dbraw/zinc/04/57/84/262045784.db2.gz BEKYMZJUIICCMS-STQMWFEESA-N 1 1 265.353 1.667 50 0 CDAAMO C[C@@H]1C[N@H+](C[C@@H](O)COC2CCCC2)C[C@H](C)O1 ZINC000012419913 424377220 /nfs/dbraw/zinc/37/72/20/424377220.db2.gz VKESFLWTZYJZIP-FRRDWIJNSA-N 1 1 257.374 1.416 50 0 CDAAMO Cc1c(NC(=O)[C@H]2C[N@H+](C)CCO2)cccc1N(C)C ZINC000096493113 280246608 /nfs/dbraw/zinc/24/66/08/280246608.db2.gz XSQFFUOTTWVNOS-CQSZACIVSA-N 1 1 277.368 1.330 50 0 CDAAMO Cc1c(NC(=O)[C@H]2C[N@@H+](C)CCO2)cccc1N(C)C ZINC000096493113 280246613 /nfs/dbraw/zinc/24/66/13/280246613.db2.gz XSQFFUOTTWVNOS-CQSZACIVSA-N 1 1 277.368 1.330 50 0 CDAAMO O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[NH+]1CCCCC1 ZINC000018169137 280327635 /nfs/dbraw/zinc/32/76/35/280327635.db2.gz WWWBOUHOPCWDGL-RYUDHWBXSA-N 1 1 250.342 1.605 50 0 CDAAMO Cc1cnc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)nc1 ZINC000528645783 281266191 /nfs/dbraw/zinc/26/61/91/281266191.db2.gz PXASVUOEXNCLEI-CQSZACIVSA-N 1 1 291.395 1.539 50 0 CDAAMO Cc1cnc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)nc1 ZINC000528645783 281266193 /nfs/dbraw/zinc/26/61/93/281266193.db2.gz PXASVUOEXNCLEI-CQSZACIVSA-N 1 1 291.395 1.539 50 0 CDAAMO Cc1cccn2c(C[N@H+]3CCC[C@H](CC(N)=O)C3)cnc12 ZINC000093808969 289059485 /nfs/dbraw/zinc/05/94/85/289059485.db2.gz OKZAJINDNJYSER-CYBMUJFWSA-N 1 1 286.379 1.730 50 0 CDAAMO Cc1c[nH+]ccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000568531455 294055843 /nfs/dbraw/zinc/05/58/43/294055843.db2.gz DVVKOQVHOUSRFK-CQSZACIVSA-N 1 1 288.395 1.181 50 0 CDAAMO C[N@H+]1CCC[C@H](CCNc2cccc(C(N)=O)n2)C1 ZINC000534654381 328338875 /nfs/dbraw/zinc/33/88/75/328338875.db2.gz CANGQWYTZXWAFW-LLVKDONJSA-N 1 1 262.357 1.324 50 0 CDAAMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)nn1C ZINC000534658075 328341168 /nfs/dbraw/zinc/34/11/68/328341168.db2.gz MUMQCUFFCGWTNZ-CYBMUJFWSA-N 1 1 290.411 1.723 50 0 CDAAMO O=C1CC[C@@H]([N@H+]2CCOc3ccccc3C2)CCN1 ZINC000670444371 482991835 /nfs/dbraw/zinc/99/18/35/482991835.db2.gz CIVQMMLKMNSZEA-CYBMUJFWSA-N 1 1 260.337 1.550 50 0 CDAAMO Cc1ncn(C)c1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000670469807 483066631 /nfs/dbraw/zinc/06/66/31/483066631.db2.gz HGIAQCGLMCNVFG-UHFFFAOYSA-N 1 1 276.384 1.286 50 0 CDAAMO CO[C@H](C)CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000084597484 483296702 /nfs/dbraw/zinc/29/67/02/483296702.db2.gz QBYSCYXNMFQLFV-CHWSQXEVSA-N 1 1 256.390 1.648 50 0 CDAAMO CC[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735681 483320342 /nfs/dbraw/zinc/32/03/42/483320342.db2.gz VTEVLBZYGHINAL-UKRRQHHQSA-N 1 1 294.395 1.250 50 0 CDAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCO1 ZINC000239760998 521592850 /nfs/dbraw/zinc/59/28/50/521592850.db2.gz CJDVBKBIKBYHGV-CHWSQXEVSA-N 1 1 269.389 1.339 50 0 CDAAMO COc1cccc(SCC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000365062855 526244071 /nfs/dbraw/zinc/24/40/71/526244071.db2.gz OCOSDAUPMKJMKQ-UHFFFAOYSA-N 1 1 294.420 1.951 50 0 CDAAMO Cc1nc(CNCCC[N@H+]2CCC[C@H](CO)C2)n(C)c1C ZINC000952986806 678739140 /nfs/dbraw/zinc/73/91/40/678739140.db2.gz BEDZKOFGEKGPRX-HNNXBMFYSA-N 1 1 294.443 1.221 50 0 CDAAMO C[C@@]1(CNC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccccc1 ZINC000188257086 679053552 /nfs/dbraw/zinc/05/35/52/679053552.db2.gz OXZGTTGRDOCUCC-INIZCTEOSA-N 1 1 299.378 1.589 50 0 CDAAMO C[C@@]1(CNC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000188257086 679053555 /nfs/dbraw/zinc/05/35/55/679053555.db2.gz OXZGTTGRDOCUCC-INIZCTEOSA-N 1 1 299.378 1.589 50 0 CDAAMO C[C@@]1(CNC(=O)c2cnn[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000188257086 679053559 /nfs/dbraw/zinc/05/35/59/679053559.db2.gz OXZGTTGRDOCUCC-INIZCTEOSA-N 1 1 299.378 1.589 50 0 CDAAMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C(N)=O)c(=O)[nH]1 ZINC000014982988 679154734 /nfs/dbraw/zinc/15/47/34/679154734.db2.gz OXSWBZVNFZDZTK-VIFPVBQESA-N 1 1 275.308 1.260 50 0 CDAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C(N)=O)c(=O)[nH]1 ZINC000014982988 679154736 /nfs/dbraw/zinc/15/47/36/679154736.db2.gz OXSWBZVNFZDZTK-VIFPVBQESA-N 1 1 275.308 1.260 50 0 CDAAMO CC[C@H]1CN(c2ccc(C(C)=O)cn2)CC[N@H+]1C[C@H](C)O ZINC000248122608 679413826 /nfs/dbraw/zinc/41/38/26/679413826.db2.gz UPYWRZSLARMSRE-WFASDCNBSA-N 1 1 291.395 1.566 50 0 CDAAMO Cc1ncc(CN(CC[NH+](C)C)Cc2nccs2)[nH]1 ZINC001772706479 1159441157 /nfs/dbraw/zinc/44/11/57/1159441157.db2.gz ZROJSIVVHWPZHT-UHFFFAOYSA-N 1 1 279.413 1.738 50 0 CDAAMO CN(C)c1nc(NCC[C@@H]2CCC[N@H+]2C)ncc1F ZINC001704313011 1177684306 /nfs/dbraw/zinc/68/43/06/1177684306.db2.gz DUYYIYRARFFNSP-JTQLQIEISA-N 1 1 267.352 1.578 50 0 CDAAMO C[NH+](C)CCN(Cc1cnc[nH]1)C(=O)CC1CCCC1 ZINC001704315858 1177685403 /nfs/dbraw/zinc/68/54/03/1177685403.db2.gz POZDRRMJQLZRSZ-UHFFFAOYSA-N 1 1 278.400 1.880 50 0 CDAAMO CCc1cc(C[N@@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)on1 ZINC001704338799 1177695140 /nfs/dbraw/zinc/69/51/40/1177695140.db2.gz GLOIFYRQIHOPCW-IAQYHMDHSA-N 1 1 288.351 1.062 50 0 CDAAMO c1ncn(CC[N@H+]2CCC[C@H](OCc3ccccn3)C2)n1 ZINC001704355534 1177699523 /nfs/dbraw/zinc/69/95/23/1177699523.db2.gz PZCXSVRGLMPMIR-HNNXBMFYSA-N 1 1 287.367 1.354 50 0 CDAAMO Cc1ncsc1CC[N@@H+](C)CC(=O)Nc1ccn(C)n1 ZINC001704355484 1177699723 /nfs/dbraw/zinc/69/97/23/1177699723.db2.gz OISQNWDAMCBQKK-UHFFFAOYSA-N 1 1 293.396 1.298 50 0 CDAAMO Cc1ncsc1CC[N@H+](C)CC(=O)Nc1ccn(C)n1 ZINC001704355484 1177699730 /nfs/dbraw/zinc/69/97/30/1177699730.db2.gz OISQNWDAMCBQKK-UHFFFAOYSA-N 1 1 293.396 1.298 50 0 CDAAMO COc1nc(NC(C)(C)C[NH+]2CCN(C)CC2)ncc1F ZINC000824845396 925839853 /nfs/dbraw/zinc/83/98/53/925839853.db2.gz BZIGXBVUXVABII-UHFFFAOYSA-N 1 1 297.378 1.062 50 0 CDAAMO C[N@H+]1CCCC[C@@H]1CCNc1cc(NCCO)ncn1 ZINC000828767795 926180239 /nfs/dbraw/zinc/18/02/39/926180239.db2.gz QRNCIFMRGRYCGT-GFCCVEGCSA-N 1 1 279.388 1.167 50 0 CDAAMO Cc1c[nH+]c(CCNC(=O)c2nccn2C)n1C1CC1 ZINC000581815451 927205766 /nfs/dbraw/zinc/20/57/66/927205766.db2.gz JDBJMCAHOZFTHV-UHFFFAOYSA-N 1 1 273.340 1.232 50 0 CDAAMO COCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)C2CC2)C1 ZINC000581815812 927206917 /nfs/dbraw/zinc/20/69/17/927206917.db2.gz INSSZWOTCFEEHJ-ZDUSSCGKSA-N 1 1 277.368 1.564 50 0 CDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC2COCOC2)C1 ZINC000585116867 930969469 /nfs/dbraw/zinc/96/94/69/930969469.db2.gz KWXCZIXDOYALKN-DZGCQCFKSA-N 1 1 298.427 1.624 50 0 CDAAMO Cc1noc([C@@H]2C[N@H+](C[C@@H]3CCCOCC3)CCN2C)n1 ZINC000585117578 930985676 /nfs/dbraw/zinc/98/56/76/930985676.db2.gz MADCIYZAVFVIPT-KGLIPLIRSA-N 1 1 294.399 1.483 50 0 CDAAMO O=C(NCc1nccs1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC000585121982 930988153 /nfs/dbraw/zinc/98/81/53/930988153.db2.gz ITLGEJIXZWZLIZ-MNOVXSKESA-N 1 1 265.382 1.776 50 0 CDAAMO C=CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404184072 940956845 /nfs/dbraw/zinc/95/68/45/940956845.db2.gz ACFWICWWQPPDNO-HOTGVXAUSA-N 1 1 286.375 1.674 50 0 CDAAMO CCC[C@H]1COC[C@H]2C[N@H+](Cc3c(C)noc3C)CCN21 ZINC001529102009 968982213 /nfs/dbraw/zinc/98/22/13/968982213.db2.gz UEOMXOFJGCBLJU-LSDHHAIUSA-N 1 1 293.411 1.977 50 0 CDAAMO CCC[C@H]1COC[C@H]2C[N@@H+](Cc3c(C)noc3C)CCN21 ZINC001529102009 968982218 /nfs/dbraw/zinc/98/22/18/968982218.db2.gz UEOMXOFJGCBLJU-LSDHHAIUSA-N 1 1 293.411 1.977 50 0 CDAAMO Cc1c[nH]c(C[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001529168807 969002603 /nfs/dbraw/zinc/00/26/03/969002603.db2.gz MKKIVMSWWQIPLB-ZIAGYGMSSA-N 1 1 272.352 1.149 50 0 CDAAMO Cc1c[nH]c(C[N@@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001529168807 969002614 /nfs/dbraw/zinc/00/26/14/969002614.db2.gz MKKIVMSWWQIPLB-ZIAGYGMSSA-N 1 1 272.352 1.149 50 0 CDAAMO Cc1c[nH+]ccc1N1CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC001529189290 969009068 /nfs/dbraw/zinc/00/90/68/969009068.db2.gz KIGFCSDQWPGCKV-UHFFFAOYSA-N 1 1 277.368 1.767 50 0 CDAAMO C[C@@H](C[N@@H+](C)CCO)NC1(c2cc(F)ccc2F)CC1 ZINC001506407906 975153393 /nfs/dbraw/zinc/15/33/93/975153393.db2.gz KUXQCNDBPZSJKL-NSHDSACASA-N 1 1 284.350 1.856 50 0 CDAAMO C[C@@H](CN(C)CCO)[NH2+]C1(c2cc(F)ccc2F)CC1 ZINC001506407906 975153395 /nfs/dbraw/zinc/15/33/95/975153395.db2.gz KUXQCNDBPZSJKL-NSHDSACASA-N 1 1 284.350 1.856 50 0 CDAAMO Cc1nnc(N2CC[N@H+](C)[C@@H](CCO)C2)c2ccccc12 ZINC001506415598 975155464 /nfs/dbraw/zinc/15/54/64/975155464.db2.gz ZBVMWMUQJYRKQY-ZDUSSCGKSA-N 1 1 286.379 1.441 50 0 CDAAMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c2ncccc12 ZINC000097938484 230387746 /nfs/dbraw/zinc/38/77/46/230387746.db2.gz WLLPQCFPWVFKNE-UHFFFAOYSA-N 1 1 288.351 1.015 50 0 CDAAMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000095967233 185046269 /nfs/dbraw/zinc/04/62/69/185046269.db2.gz UQFKKWPTQOXWER-RDBSUJKOSA-N 1 1 250.390 1.592 50 0 CDAAMO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C(F)(F)F ZINC000238857175 361740890 /nfs/dbraw/zinc/74/08/90/361740890.db2.gz YFHIIRBVIAFCMB-VHSXEESVSA-N 1 1 258.243 1.421 50 0 CDAAMO C[C@@](O)(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)C(F)(F)F ZINC000241587908 361753488 /nfs/dbraw/zinc/75/34/88/361753488.db2.gz OYBLWSZGJUEHQP-WDEREUQCSA-N 1 1 292.305 1.303 50 0 CDAAMO COc1ccc(C[N@H+]2CCC[C@H]2CO)c(OC)c1C ZINC000006667498 342089140 /nfs/dbraw/zinc/08/91/40/342089140.db2.gz JBDQEEDZWGBFQW-ZDUSSCGKSA-N 1 1 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CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000023402897 356642719 /nfs/dbraw/zinc/64/27/19/356642719.db2.gz JMZVIKBHBORCAI-LBPRGKRZSA-N 1 1 280.343 1.757 50 0 CDAAMO CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000054562915 357321915 /nfs/dbraw/zinc/32/19/15/357321915.db2.gz DBVNRTOINBEULW-UHFFFAOYSA-N 1 1 274.364 1.328 50 0 CDAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055414128 357333389 /nfs/dbraw/zinc/33/33/89/357333389.db2.gz IXUNMXVNAYMXFU-ZDUSSCGKSA-N 1 1 288.326 1.666 50 0 CDAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055414128 357333395 /nfs/dbraw/zinc/33/33/95/357333395.db2.gz IXUNMXVNAYMXFU-ZDUSSCGKSA-N 1 1 288.326 1.666 50 0 CDAAMO CCSc1ncc([C@@H]2[NH2+]CCc3nc[nH]c32)cn1 ZINC000065370881 357532284 /nfs/dbraw/zinc/53/22/84/357532284.db2.gz GRSNYDURDANKOE-JTQLQIEISA-N 1 1 261.354 1.547 50 0 CDAAMO CCN(CC)C(=O)[C@H]1CCCN(c2nc(NC)cc[nH+]2)C1 ZINC000065376555 357532743 /nfs/dbraw/zinc/53/27/43/357532743.db2.gz AJBNKRNXXWJCMI-LBPRGKRZSA-N 1 1 291.399 1.603 50 0 CDAAMO Cc1cccc([C@H](C(=O)NCCc2c[nH]cn2)[NH+](C)C)c1 ZINC000065396383 357537076 /nfs/dbraw/zinc/53/70/76/357537076.db2.gz ODKHOBUVGDPJBQ-OAHLLOKOSA-N 1 1 286.379 1.680 50 0 CDAAMO CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000065397651 357537094 /nfs/dbraw/zinc/53/70/94/357537094.db2.gz XQELXAHXPMFDAM-CYBMUJFWSA-N 1 1 292.379 1.661 50 0 CDAAMO CCc1nc(CN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)no1 ZINC000065536464 357548347 /nfs/dbraw/zinc/54/83/47/357548347.db2.gz RNVVOADDMGZFRZ-LBPRGKRZSA-N 1 1 294.399 1.855 50 0 CDAAMO NC(=O)CC[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067723294 357621711 /nfs/dbraw/zinc/62/17/11/357621711.db2.gz CSICXCDUBMSAAN-UHFFFAOYSA-N 1 1 289.310 1.714 50 0 CDAAMO O=C(c1cc[nH]n1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437758 357857535 /nfs/dbraw/zinc/85/75/35/357857535.db2.gz QBPJTFXXHKXMJG-UHFFFAOYSA-N 1 1 291.742 1.421 50 0 CDAAMO COc1ccc(SCCNC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072454649 357837414 /nfs/dbraw/zinc/83/74/14/357837414.db2.gz RNEDAVXEPHKQQA-HNNXBMFYSA-N 1 1 296.436 1.491 50 0 CDAAMO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)c1nc(C(C)C)no1)CC2 ZINC000097199441 358187912 /nfs/dbraw/zinc/18/79/12/358187912.db2.gz QSTRYXVIKUKAAJ-KOLCDFICSA-N 1 1 290.371 1.759 50 0 CDAAMO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(F)F ZINC000194816511 358541402 /nfs/dbraw/zinc/54/14/02/358541402.db2.gz OOWNSQVUCRSZPV-VXGBXAGGSA-N 1 1 284.306 1.003 50 0 CDAAMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(F)F ZINC000194816511 358541404 /nfs/dbraw/zinc/54/14/04/358541404.db2.gz OOWNSQVUCRSZPV-VXGBXAGGSA-N 1 1 284.306 1.003 50 0 CDAAMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000195572801 358567432 /nfs/dbraw/zinc/56/74/32/358567432.db2.gz IUAMEHXUFSBDNR-CYBMUJFWSA-N 1 1 294.370 1.720 50 0 CDAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CC(c2ccccn2)C1 ZINC000095377934 358689555 /nfs/dbraw/zinc/68/95/55/358689555.db2.gz XDQHOERNYJWOGT-HNNXBMFYSA-N 1 1 273.380 1.882 50 0 CDAAMO CCc1c[nH+]c(N)nc1NCCCn1nc(C)nc1C ZINC000095386945 358691435 /nfs/dbraw/zinc/69/14/35/358691435.db2.gz ASVSZDVLYAMNKF-UHFFFAOYSA-N 1 1 275.360 1.332 50 0 CDAAMO COC(=O)N1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000095408649 358692841 /nfs/dbraw/zinc/69/28/41/358692841.db2.gz KNVCPJDCKLZDOA-QMMMGPOBSA-N 1 1 255.705 1.988 50 0 CDAAMO C(c1nc([C@@H]2CCOC2)no1)[NH+]1CCCCCC1 ZINC000096137407 358709372 /nfs/dbraw/zinc/70/93/72/358709372.db2.gz DTIFFJMFKLOXNG-LLVKDONJSA-N 1 1 251.330 1.950 50 0 CDAAMO Cc1nc(CN2CCC([NH+]3CCCCC3)CC2)n[nH]1 ZINC000244852503 358724669 /nfs/dbraw/zinc/72/46/69/358724669.db2.gz UTOUQDOXAUVHOB-UHFFFAOYSA-N 1 1 263.389 1.563 50 0 CDAAMO Cc1cc(CN2CC[N@H+](C3CCCC3)C[C@H](O)C2)on1 ZINC000097495189 358780846 /nfs/dbraw/zinc/78/08/46/358780846.db2.gz YYTZJOZEHGVEEN-CQSZACIVSA-N 1 1 279.384 1.404 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCc1cn[nH]c1 ZINC000097785546 358798729 /nfs/dbraw/zinc/79/87/29/358798729.db2.gz CRDXRVSIRWSCLK-CYBMUJFWSA-N 1 1 264.373 1.333 50 0 CDAAMO CCOc1ccc(CC(=O)NCCc2cnc[nH]2)cc1 ZINC000013593264 366483990 /nfs/dbraw/zinc/48/39/90/366483990.db2.gz VTAWMGBQVFQCHN-UHFFFAOYSA-N 1 1 273.336 1.710 50 0 CDAAMO Cc1nn(CCO)cc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000216041275 358919834 /nfs/dbraw/zinc/91/98/34/358919834.db2.gz FLFMASRURYHDIG-GFCCVEGCSA-N 1 1 289.383 1.037 50 0 CDAAMO c1cc(C[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)co1 ZINC000216309738 358936330 /nfs/dbraw/zinc/93/63/30/358936330.db2.gz CYIUGCODOAOYFA-UHFFFAOYSA-N 1 1 284.323 1.268 50 0 CDAAMO COCC[N@H+](Cc1cnc(N(C)C)nc1)CC1CC1 ZINC000220395976 359170518 /nfs/dbraw/zinc/17/05/18/359170518.db2.gz KOAFTKQMJMJTEK-UHFFFAOYSA-N 1 1 264.373 1.401 50 0 CDAAMO Cc1cccc(CNC(=O)CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000408516250 359899178 /nfs/dbraw/zinc/89/91/78/359899178.db2.gz HXEINHNEODXNTP-UHFFFAOYSA-N 1 1 289.423 1.637 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[N@@H+]2[C@H](CC[C@H]2CO)C1 ZINC000238098794 360220500 /nfs/dbraw/zinc/22/05/00/360220500.db2.gz SIVMHISIWYDSFX-MNOVXSKESA-N 1 1 256.346 1.062 50 0 CDAAMO CCOCC[N@H+]1CCN([C@H](C)c2nc(C)no2)C[C@H]1CC 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C[N@@H+](Cc1ccns1)CC(C)(C)CN1CCOCC1 ZINC000585117451 364856598 /nfs/dbraw/zinc/85/65/98/364856598.db2.gz DOIIKFZVNQGQPG-UHFFFAOYSA-N 1 1 283.441 1.933 50 0 CDAAMO CN(Cc1ccns1)CC(C)(C)C[NH+]1CCOCC1 ZINC000585117451 364856605 /nfs/dbraw/zinc/85/66/05/364856605.db2.gz DOIIKFZVNQGQPG-UHFFFAOYSA-N 1 1 283.441 1.933 50 0 CDAAMO C[C@@H](O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000270764951 366930879 /nfs/dbraw/zinc/93/08/79/366930879.db2.gz NZPGEYSNZSJCCO-GFCCVEGCSA-N 1 1 296.798 1.755 50 0 CDAAMO C[C@@H](O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000270764951 366930884 /nfs/dbraw/zinc/93/08/84/366930884.db2.gz NZPGEYSNZSJCCO-GFCCVEGCSA-N 1 1 296.798 1.755 50 0 CDAAMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2ccncc2)[C@H](CO)C1 ZINC000253415155 373723010 /nfs/dbraw/zinc/72/30/10/373723010.db2.gz ZVCQTAFWWRZUAV-HOTGVXAUSA-N 1 1 286.379 1.331 50 0 CDAAMO COC(=O)[C@H]([N@H+]1CC[C@@]2(CCOC2)C1)C1(OC)CCC1 ZINC000253431587 373745507 /nfs/dbraw/zinc/74/55/07/373745507.db2.gz WKFBEGMBGKWGJN-GXTWGEPZSA-N 1 1 283.368 1.210 50 0 CDAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000103309180 373949754 /nfs/dbraw/zinc/94/97/54/373949754.db2.gz VFWKLJMZWUBNTP-NWDGAFQWSA-N 1 1 289.379 1.844 50 0 CDAAMO COC(=O)[C@]1(C)C[C@@H](CO)[C@H](c2ccc(C)cc2)[N@@H+]1C ZINC000012954663 374621900 /nfs/dbraw/zinc/62/19/00/374621900.db2.gz VGRXFBWPNOFSTM-DZKIICNBSA-N 1 1 277.364 1.912 50 0 CDAAMO COC(=O)[C@]1(C)C[C@@H](CO)[C@H](c2ccc(C)cc2)[N@H+]1C ZINC000012954663 374621909 /nfs/dbraw/zinc/62/19/09/374621909.db2.gz VGRXFBWPNOFSTM-DZKIICNBSA-N 1 1 277.364 1.912 50 0 CDAAMO C[N@@H+](CCNC(=O)N[C@H](c1nccs1)C1CC1)C1CC1 ZINC000095405329 374910013 /nfs/dbraw/zinc/91/00/13/374910013.db2.gz LLBQYCHLKXGTQD-LBPRGKRZSA-N 1 1 294.424 1.988 50 0 CDAAMO C[NH+]1CCN(c2ccc(NC(=O)C3CC3)cc2F)CC1 ZINC000001399231 377676984 /nfs/dbraw/zinc/67/69/84/377676984.db2.gz ZLXFXEPKLDGSTM-UHFFFAOYSA-N 1 1 277.343 1.926 50 0 CDAAMO O=C(O[C@H]1CN2CCC1CC2)O[C@H]1C[NH+]2CCC1CC2 ZINC000009476996 390194489 /nfs/dbraw/zinc/19/44/89/390194489.db2.gz ZRRREYQVNYFMNB-KBPBESRZSA-N 1 1 280.368 1.328 50 0 CDAAMO c1cn(C[C@H]2CCC[N@H+]2Cc2cn3cccnc3n2)cn1 ZINC000291424852 390438879 /nfs/dbraw/zinc/43/88/79/390438879.db2.gz INAYNIKAUKAWSD-CQSZACIVSA-N 1 1 282.351 1.590 50 0 CDAAMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC(N)=O)o1 ZINC000096417455 390512175 /nfs/dbraw/zinc/51/21/75/390512175.db2.gz QVKGOZPGJYFMSC-GFCCVEGCSA-N 1 1 293.367 1.954 50 0 CDAAMO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC(N)=O)o1 ZINC000096417455 390512176 /nfs/dbraw/zinc/51/21/76/390512176.db2.gz QVKGOZPGJYFMSC-GFCCVEGCSA-N 1 1 293.367 1.954 50 0 CDAAMO CC(C)[NH+]1CCC(N(C)CCOC[C@@H]2CCCO2)CC1 ZINC000096421088 390514146 /nfs/dbraw/zinc/51/41/46/390514146.db2.gz IIHREBQRRIHVLQ-INIZCTEOSA-N 1 1 284.444 1.987 50 0 CDAAMO CC(C)N1CCC([N@H+](C)CCOC[C@@H]2CCCO2)CC1 ZINC000096421088 390514149 /nfs/dbraw/zinc/51/41/49/390514149.db2.gz IIHREBQRRIHVLQ-INIZCTEOSA-N 1 1 284.444 1.987 50 0 CDAAMO CC(C)N1CCC([N@@H+](C)CCOC[C@@H]2CCCO2)CC1 ZINC000096421088 390514150 /nfs/dbraw/zinc/51/41/50/390514150.db2.gz IIHREBQRRIHVLQ-INIZCTEOSA-N 1 1 284.444 1.987 50 0 CDAAMO C[N@H+]1CCC[C@@H](CCNC(=O)CCN2CCCCO2)C1 ZINC000067446844 390571960 /nfs/dbraw/zinc/57/19/60/390571960.db2.gz USHVKAUZTDXSHC-AWEZNQCLSA-N 1 1 283.416 1.252 50 0 CDAAMO C[NH+]1CCN(C(=O)c2ccc(N)cc2C(F)(F)F)CC1 ZINC000090505049 390884884 /nfs/dbraw/zinc/88/48/84/390884884.db2.gz MFOSAHLGQDMTAV-UHFFFAOYSA-N 1 1 287.285 1.675 50 0 CDAAMO COC(=O)[C@]1(C)CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000271989883 391305995 /nfs/dbraw/zinc/30/59/95/391305995.db2.gz PQPPUBZEKKLWJE-SQWLQELKSA-N 1 1 275.348 1.530 50 0 CDAAMO COCC1(CNc2[nH+]cnc3[nH]ccc32)CCCC1 ZINC000450917934 391366572 /nfs/dbraw/zinc/36/65/72/391366572.db2.gz GLCRTPDDLBJCIA-UHFFFAOYSA-N 1 1 260.341 1.999 50 0 CDAAMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1CO ZINC000190900346 130159833 /nfs/dbraw/zinc/15/98/33/130159833.db2.gz QJEVYAOKBZLHHO-ZJUUUORDSA-N 1 1 263.297 1.390 50 0 CDAAMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)O1 ZINC000527539176 392223940 /nfs/dbraw/zinc/22/39/40/392223940.db2.gz JJSAXHDDDGUDJW-OUAUKWLOSA-N 1 1 294.317 1.506 50 0 CDAAMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)O1 ZINC000527539176 392223945 /nfs/dbraw/zinc/22/39/45/392223945.db2.gz JJSAXHDDDGUDJW-OUAUKWLOSA-N 1 1 294.317 1.506 50 0 CDAAMO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ncn(C)n1 ZINC000097095395 397958435 /nfs/dbraw/zinc/95/84/35/397958435.db2.gz ZLXVCCWNDZWOFT-LLVKDONJSA-N 1 1 260.341 1.632 50 0 CDAAMO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000008171867 170322909 /nfs/dbraw/zinc/32/29/09/170322909.db2.gz OZGVZFHXUULTBZ-ZDUSSCGKSA-N 1 1 289.379 1.385 50 0 CDAAMO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000008171867 170322910 /nfs/dbraw/zinc/32/29/10/170322910.db2.gz OZGVZFHXUULTBZ-ZDUSSCGKSA-N 1 1 289.379 1.385 50 0 CDAAMO COc1c2c(c(CNC(C)=O)c3c1C[N@@H+](C)CC3)OCO2 ZINC000008764974 170354960 /nfs/dbraw/zinc/35/49/60/170354960.db2.gz ABHFDSKXRLSXPW-UHFFFAOYSA-N 1 1 292.335 1.048 50 0 biogenic CDAAMO O=C(C[NH+]1CCC(O)CC1)N1CCc2sccc2C1 ZINC000010036411 170396385 /nfs/dbraw/zinc/39/63/85/170396385.db2.gz SHDPGMXGRPTUQA-UHFFFAOYSA-N 1 1 280.393 1.090 50 0 CDAAMO Cc1ccccc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020513210 171231769 /nfs/dbraw/zinc/23/17/69/171231769.db2.gz QCSLCAPTHHHNRT-RBSFLKMASA-N 1 1 279.380 1.844 50 0 CDAAMO CCc1[nH+]ccn1CCCNC(=O)c1ncoc1C ZINC000020600193 171266290 /nfs/dbraw/zinc/26/62/90/171266290.db2.gz VPYJXCLLQRSKQC-UHFFFAOYSA-N 1 1 262.313 1.562 50 0 CDAAMO Cc1noc([C@H](C)Sc2nc(N)cc(N)[nH+]2)n1 ZINC000031821324 171648752 /nfs/dbraw/zinc/64/87/52/171648752.db2.gz IUGKVFKEDWNOJD-BYPYZUCNSA-N 1 1 252.303 1.186 50 0 CDAAMO OCC[N@@H+]1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071551927 176196568 /nfs/dbraw/zinc/19/65/68/176196568.db2.gz NITVCABEUQMHQD-CYBMUJFWSA-N 1 1 289.297 1.941 50 0 CDAAMO OCC[N@H+]1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071551927 176196569 /nfs/dbraw/zinc/19/65/69/176196569.db2.gz NITVCABEUQMHQD-CYBMUJFWSA-N 1 1 289.297 1.941 50 0 CDAAMO Cc1nnsc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071746904 176258735 /nfs/dbraw/zinc/25/87/35/176258735.db2.gz DOHIPCLXYWQTCX-UHFFFAOYSA-N 1 1 280.397 1.433 50 0 CDAAMO Cc1n[nH]c(C)c1CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000071764061 176262031 /nfs/dbraw/zinc/26/20/31/176262031.db2.gz QXHCNWIPXOMPBP-AWEZNQCLSA-N 1 1 290.411 1.656 50 0 CDAAMO Cn1ccnc1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072128893 176321163 /nfs/dbraw/zinc/32/11/63/176321163.db2.gz NRFMUDHZCHMKCE-CQSZACIVSA-N 1 1 278.356 1.227 50 0 CDAAMO Cn1ccnc1C[N@@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072128893 176321165 /nfs/dbraw/zinc/32/11/65/176321165.db2.gz NRFMUDHZCHMKCE-CQSZACIVSA-N 1 1 278.356 1.227 50 0 CDAAMO C([C@H]1CCCCO1)[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000097014617 275397498 /nfs/dbraw/zinc/39/74/98/275397498.db2.gz JCZCSGBMCFDWEO-UONOGXRCSA-N 1 1 270.442 1.679 50 0 CDAAMO C[NH+](C)[C@H](CNC(=O)N1CCCC1)c1ccco1 ZINC000298398277 276789777 /nfs/dbraw/zinc/78/97/77/276789777.db2.gz VTMWOMSPCFKROL-LLVKDONJSA-N 1 1 251.330 1.688 50 0 CDAAMO CNC(=O)NC(=O)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000023654004 277236812 /nfs/dbraw/zinc/23/68/12/277236812.db2.gz FNONBENAVCVUMO-HNNXBMFYSA-N 1 1 297.358 1.973 50 0 CDAAMO Cc1c2ccccc2oc1C(=O)NN1CC[NH+](C)CC1 ZINC000004749939 280273245 /nfs/dbraw/zinc/27/32/45/280273245.db2.gz HSAQBMVUBOJJHO-UHFFFAOYSA-N 1 1 273.336 1.633 50 0 CDAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n[nH]1 ZINC000095399399 280326903 /nfs/dbraw/zinc/32/69/03/280326903.db2.gz KAZIUTRVONLQCX-ZDUSSCGKSA-N 1 1 276.384 1.809 50 0 CDAAMO CC1(C)C[C@H](C2N3CC4(C)C[NH+]2CC(C)(C3)C4O)CCO1 ZINC000019323164 281334085 /nfs/dbraw/zinc/33/40/85/281334085.db2.gz PWOMJHCPFDSWQD-UXCWVVDGSA-N 1 1 294.439 1.536 50 0 biogenic CDAAMO Cc1ccccc1N1CCC[N@@H+](C[C@H]2COCCO2)CC1 ZINC000244874922 281346731 /nfs/dbraw/zinc/34/67/31/281346731.db2.gz XJRKSJXYNLFGPW-INIZCTEOSA-N 1 1 290.407 1.923 50 0 CDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc2c1NCCC2 ZINC000534644226 328330042 /nfs/dbraw/zinc/33/00/42/328330042.db2.gz VHYCGMLTRRACKN-KBPBESRZSA-N 1 1 289.379 1.104 50 0 CDAAMO CNc1nc(C)cc(NC[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000534638596 328334824 /nfs/dbraw/zinc/33/48/24/328334824.db2.gz XFBVJSUCWYYJJT-OAHLLOKOSA-N 1 1 299.422 1.694 50 0 CDAAMO CCNc1nc(C)c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)s1 ZINC000077421967 327132213 /nfs/dbraw/zinc/13/22/13/327132213.db2.gz BLTPEPRRRXZTCQ-WDEREUQCSA-N 1 1 294.424 1.659 50 0 CDAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2ccc(OC)nc2)C1 ZINC000670473516 483083496 /nfs/dbraw/zinc/08/34/96/483083496.db2.gz MIDMJMILMDAHFZ-OAHLLOKOSA-N 1 1 293.411 1.490 50 0 CDAAMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCN1CCOCC1 ZINC000340884957 525513683 /nfs/dbraw/zinc/51/36/83/525513683.db2.gz LLBNVFZMNNUFBF-RBSFLKMASA-N 1 1 252.402 1.972 50 0 CDAAMO CCc1ccc(CN2CC[NH+](CCOCCO)CC2)cc1 ZINC000019607079 619366786 /nfs/dbraw/zinc/36/67/86/619366786.db2.gz HKGBAVCVYRCKDK-UHFFFAOYSA-N 1 1 292.423 1.376 50 0 CDAAMO COc1ccc(F)c(C[N@H+]2C[C@@H]3COCC[C@]3(CO)C2)c1 ZINC001772700787 1159436820 /nfs/dbraw/zinc/43/68/20/1159436820.db2.gz HJNMUFSBFXZRHE-CZUORRHYSA-N 1 1 295.354 1.665 50 0 CDAAMO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H]4[C@H](O)C[C@@H]4C3)cn2)cc1 ZINC001772707652 1159442619 /nfs/dbraw/zinc/44/26/19/1159442619.db2.gz WURXZFIMZPAAMH-HYVNUMGLSA-N 1 1 283.375 1.993 50 0 CDAAMO CN(C)c1nc(NCC[C@H]2CCC[N@H+]2C)ncc1F ZINC001704313012 1177685693 /nfs/dbraw/zinc/68/56/93/1177685693.db2.gz DUYYIYRARFFNSP-SNVBAGLBSA-N 1 1 267.352 1.578 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2O)on1 ZINC001704343316 1177695880 /nfs/dbraw/zinc/69/58/80/1177695880.db2.gz WBYKTXXFMBVCSH-IUODEOHRSA-N 1 1 291.351 1.623 50 0 CDAAMO C[C@H](COC[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000020638937 742878335 /nfs/dbraw/zinc/87/83/35/742878335.db2.gz NOFWBZNOYUENPG-WBVHZDCISA-N 1 1 292.423 1.415 50 0 CDAAMO CCOC(=O)c1cnc(NCCn2cc[nH+]c2C)s1 ZINC000388608856 747406322 /nfs/dbraw/zinc/40/63/22/747406322.db2.gz QFEGJEUVGUGSHG-UHFFFAOYSA-N 1 1 280.353 1.359 50 0 CDAAMO CON(C)C(=O)CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799189883 749328245 /nfs/dbraw/zinc/32/82/45/749328245.db2.gz IEXOGDKCKOYUIW-GFCCVEGCSA-N 1 1 263.341 1.281 50 0 CDAAMO O=C(NC1(CO)CCSCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC000585121957 902286646 /nfs/dbraw/zinc/28/66/46/902286646.db2.gz HOOMOXFGRVBWMI-OLZOCXBDSA-N 1 1 298.452 1.378 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000823350073 925686951 /nfs/dbraw/zinc/68/69/51/925686951.db2.gz KEHBRNPDCJBLBP-RYUDHWBXSA-N 1 1 283.759 1.184 50 0 CDAAMO COCCn1ccnc1CN1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000824466323 925822219 /nfs/dbraw/zinc/82/22/19/925822219.db2.gz PKTLNUCXMLOJDS-AWEZNQCLSA-N 1 1 292.427 1.588 50 0 CDAAMO OC[C@H]1CCC[N@@H+](CCNc2nccc3cccnc32)C1 ZINC000828711091 926169541 /nfs/dbraw/zinc/16/95/41/926169541.db2.gz DEPIFKKRTBUUGB-ZDUSSCGKSA-N 1 1 286.379 1.746 50 0 CDAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(F)c(O)c1 ZINC000828710771 926169655 /nfs/dbraw/zinc/16/96/55/926169655.db2.gz CMGDBIBOXHCTSX-GFCCVEGCSA-N 1 1 296.342 1.108 50 0 CDAAMO OCc1ccc2c(c1)C[N@H+](C[C@H]1CCCO1)CCO2 ZINC000828827022 926194196 /nfs/dbraw/zinc/19/41/96/926194196.db2.gz KDHANUCPVVBLGZ-CQSZACIVSA-N 1 1 263.337 1.552 50 0 CDAAMO COCC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1CO ZINC000581799298 927199118 /nfs/dbraw/zinc/19/91/18/927199118.db2.gz PDXXZIXRDBUBRF-HUUCEWRRSA-N 1 1 298.427 1.012 50 0 CDAAMO COC(=O)N1CC(C)([NH2+]Cc2cccc3c2OCO3)C1 ZINC000585079553 930852223 /nfs/dbraw/zinc/85/22/23/930852223.db2.gz XBOJHYYRSVEWHC-UHFFFAOYSA-N 1 1 278.308 1.346 50 0 CDAAMO CC[N@H+]1CCCC[C@@H]1CNc1ccn2nccc2n1 ZINC000585079416 930852327 /nfs/dbraw/zinc/85/23/27/930852327.db2.gz BNBXREXXZVTYET-GFCCVEGCSA-N 1 1 259.357 1.438 50 0 CDAAMO C[C@H]1CN(Cc2ccccn2)CCN1C(=O)Cc1ccn[nH]1 ZINC000585083108 930862673 /nfs/dbraw/zinc/86/26/73/930862673.db2.gz WKMVWMUJERTYCO-ZDUSSCGKSA-N 1 1 299.378 1.080 50 0 CDAAMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(C3OCCO3)cc2)C1 ZINC000585117764 930985164 /nfs/dbraw/zinc/98/51/64/930985164.db2.gz WAPQOACLQORLHY-ZDUSSCGKSA-N 1 1 276.336 1.039 50 0 CDAAMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ncc(Cl)s1 ZINC000585139484 931033867 /nfs/dbraw/zinc/03/38/67/931033867.db2.gz AFFGZJUKSCWQMF-IUCAKERBSA-N 1 1 287.816 1.890 50 0 CDAAMO Cn1cc(C[NH+]2CCC(Oc3ncccn3)CC2)cn1 ZINC001205009094 939814224 /nfs/dbraw/zinc/81/42/24/939814224.db2.gz SJHZKEJCXAZZIG-UHFFFAOYSA-N 1 1 273.340 1.254 50 0 CDAAMO CC[C@@H](C(=O)Nc1cnn(CC)c1C)[N@@H+](C)CC ZINC001529092559 968978199 /nfs/dbraw/zinc/97/81/99/968978199.db2.gz VBADJCCWKLFEMH-LBPRGKRZSA-N 1 1 252.362 1.880 50 0 CDAAMO COCC[N@H+]1CC[C@@H](CN(C)c2ccc(C(C)=O)cn2)C1 ZINC001529167925 969000260 /nfs/dbraw/zinc/00/02/60/969000260.db2.gz SUXNTKAQOUOIOX-AWEZNQCLSA-N 1 1 291.395 1.689 50 0 CDAAMO Cn1cc[nH+]c1CCN1CCN(C(=O)c2ccccc2)CC1 ZINC001506398350 975147771 /nfs/dbraw/zinc/14/77/71/975147771.db2.gz PBCAMRGMKUEHTL-UHFFFAOYSA-N 1 1 298.390 1.421 50 0 CDAAMO Cc1nncn1CC[NH+]1CCN(CCc2ccccc2)CC1 ZINC001506397904 975147972 /nfs/dbraw/zinc/14/79/72/975147972.db2.gz GJKLQKARJDHDDK-UHFFFAOYSA-N 1 1 299.422 1.447 50 0 CDAAMO CCNc1cc[nH+]c(N(C)Cc2nc(CC)no2)n1 ZINC001506399377 975149205 /nfs/dbraw/zinc/14/92/05/975149205.db2.gz MXKAHFCQVOCZQU-UHFFFAOYSA-N 1 1 262.317 1.490 50 0 CDAAMO COCC[N@H+]1CCC[C@@H](CNCc2cnc(C)nc2)C1 ZINC001506426372 975160452 /nfs/dbraw/zinc/16/04/52/975160452.db2.gz GNWJAIRXXJTYJV-AWEZNQCLSA-N 1 1 278.400 1.233 50 0 CDAAMO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000584902471 341986975 /nfs/dbraw/zinc/98/69/75/341986975.db2.gz LDERFIQCZWDIIJ-LBPRGKRZSA-N 1 1 296.342 1.108 50 0 CDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000584902471 341986976 /nfs/dbraw/zinc/98/69/76/341986976.db2.gz LDERFIQCZWDIIJ-LBPRGKRZSA-N 1 1 296.342 1.108 50 0 CDAAMO Cc1ccccc1CC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000085479993 539086657 /nfs/dbraw/zinc/08/66/57/539086657.db2.gz JYNIIEMTFQIMGL-MRXNPFEDSA-N 1 1 288.391 1.327 50 0 CDAAMO Cc1ccccc1CC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000085479993 539086658 /nfs/dbraw/zinc/08/66/58/539086658.db2.gz JYNIIEMTFQIMGL-MRXNPFEDSA-N 1 1 288.391 1.327 50 0 CDAAMO COc1ccc(C[N@H+]2CCC[C@@H]2CO)c(OC)c1C ZINC000006667497 342089131 /nfs/dbraw/zinc/08/91/31/342089131.db2.gz JBDQEEDZWGBFQW-CYBMUJFWSA-N 1 1 265.353 1.969 50 0 CDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NO[C@H]1CCCCO1 ZINC000252514923 361855474 /nfs/dbraw/zinc/85/54/74/361855474.db2.gz FCANMRQJAYKPBQ-STQMWFEESA-N 1 1 285.388 1.426 50 0 CDAAMO Cc1[nH+]ccn1CCN(C)Cc1noc([C@H]2CCCO2)n1 ZINC000244774248 361863131 /nfs/dbraw/zinc/86/31/31/361863131.db2.gz PQOCVWSBVVAMHF-GFCCVEGCSA-N 1 1 291.355 1.558 50 0 CDAAMO Cc1nc(CC[N@H+](C)C[C@H]2COCCO2)cs1 ZINC000244882577 361867957 /nfs/dbraw/zinc/86/79/57/361867957.db2.gz XUKRSXCHMCAMBK-LBPRGKRZSA-N 1 1 256.371 1.341 50 0 CDAAMO NC(=O)[C@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000584907887 539102304 /nfs/dbraw/zinc/10/23/04/539102304.db2.gz XPIJJZNBDAWEIR-QMMMGPOBSA-N 1 1 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ZINC000065468742 357543729 /nfs/dbraw/zinc/54/37/29/357543729.db2.gz MFNPRQZCJVFWJW-UHFFFAOYSA-N 1 1 278.312 1.414 50 0 CDAAMO CCN1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000019790728 358142306 /nfs/dbraw/zinc/14/23/06/358142306.db2.gz JLCAHOLJNZHZOZ-INIZCTEOSA-N 1 1 278.396 1.202 50 0 CDAAMO CCCc1cc(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)no1 ZINC000082114801 358147948 /nfs/dbraw/zinc/14/79/48/358147948.db2.gz SJCAQZBUIXHVFF-LBPRGKRZSA-N 1 1 295.383 1.061 50 0 CDAAMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](CO)C1 ZINC000195558418 358564400 /nfs/dbraw/zinc/56/44/00/358564400.db2.gz KCTJGCIJPLHBAV-IUODEOHRSA-N 1 1 267.344 1.840 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@@H]2CO)cc2c1OCO2 ZINC000023280122 358656139 /nfs/dbraw/zinc/65/61/39/358656139.db2.gz BSHNYWYYKXRJGT-LLVKDONJSA-N 1 1 265.309 1.381 50 0 CDAAMO C[N@H+]1CCC[C@@H](CN2C(=O)COc3ccc(F)cc32)C1 ZINC000095357632 358684496 /nfs/dbraw/zinc/68/44/96/358684496.db2.gz BZRLDVPLCDXMBN-LLVKDONJSA-N 1 1 278.327 1.893 50 0 CDAAMO COCCCNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095365940 358686436 /nfs/dbraw/zinc/68/64/36/358686436.db2.gz VMWNVCKPOYGTLU-ZDUSSCGKSA-N 1 1 268.332 1.581 50 0 CDAAMO Cc1cc(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)[nH]n1 ZINC000095368992 358687759 /nfs/dbraw/zinc/68/77/59/358687759.db2.gz RCBNVDDXSIQPJH-OAHLLOKOSA-N 1 1 286.379 1.946 50 0 CDAAMO Cc1cc(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)n[nH]1 ZINC000095368992 358687760 /nfs/dbraw/zinc/68/77/60/358687760.db2.gz RCBNVDDXSIQPJH-OAHLLOKOSA-N 1 1 286.379 1.946 50 0 CDAAMO Cc1ccnc(N2CCC([N@H+](C)Cc3ncc[nH]3)CC2)n1 ZINC000095374934 358688833 /nfs/dbraw/zinc/68/88/33/358688833.db2.gz YQFUEQPXPYBFFC-UHFFFAOYSA-N 1 1 286.383 1.609 50 0 CDAAMO Cc1ccnc(N2CCC([N@@H+](C)Cc3ncc[nH]3)CC2)n1 ZINC000095374934 358688834 /nfs/dbraw/zinc/68/88/34/358688834.db2.gz YQFUEQPXPYBFFC-UHFFFAOYSA-N 1 1 286.383 1.609 50 0 CDAAMO CCc1c[nH+]c(N)nc1N[C@@H](CC(C)C)c1ncnn1C ZINC000095391432 358692023 /nfs/dbraw/zinc/69/20/23/358692023.db2.gz KZUJJSPQGWXOOW-NSHDSACASA-N 1 1 289.387 1.949 50 0 CDAAMO Cc1noc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095454197 358693977 /nfs/dbraw/zinc/69/39/77/358693977.db2.gz DUQMXOJCAZWVKU-LLVKDONJSA-N 1 1 251.330 1.736 50 0 CDAAMO CC(=O)c1cccc(-c2n[nH]c3ncnc(N)c32)c1 ZINC000096164333 358712391 /nfs/dbraw/zinc/71/23/91/358712391.db2.gz XGDJLVMLRHQOMW-UHFFFAOYSA-N 1 1 253.265 1.805 50 0 CDAAMO CSCCCNC(=O)c1ccc(C[NH+](C)C)o1 ZINC000097529030 358782335 /nfs/dbraw/zinc/78/23/35/358782335.db2.gz CERNFFMPDRLTHW-UHFFFAOYSA-N 1 1 256.371 1.824 50 0 CDAAMO Cc1[nH]nc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000097532346 358782413 /nfs/dbraw/zinc/78/24/13/358782413.db2.gz GKJVDHFCFQKPNB-ZDUSSCGKSA-N 1 1 268.792 1.947 50 0 CDAAMO CNC(=O)[C@H]1CCC[N@H+](Cc2[nH]nc(C)c2Cl)C1 ZINC000097604113 358787380 /nfs/dbraw/zinc/78/73/80/358787380.db2.gz YAIDVOWEYOTWLJ-VIFPVBQESA-N 1 1 270.764 1.330 50 0 CDAAMO CSc1ncc(C[NH+]2CCC([C@@H](C)O)CC2)cn1 ZINC000215948675 358911184 /nfs/dbraw/zinc/91/11/84/358911184.db2.gz GJFRITWZPXKJTJ-SNVBAGLBSA-N 1 1 267.398 1.791 50 0 CDAAMO O=C(CCOc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000215266380 358881908 /nfs/dbraw/zinc/88/19/08/358881908.db2.gz ASNZJIMHGNIBIC-CQSZACIVSA-N 1 1 274.364 1.762 50 0 CDAAMO CSc1ncc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000219631933 359108598 /nfs/dbraw/zinc/10/85/98/359108598.db2.gz NFYOTUCAWMJVEN-LLVKDONJSA-N 1 1 278.381 1.119 50 0 CDAAMO O=C(Cn1ccnc1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000222540243 359353227 /nfs/dbraw/zinc/35/32/27/359353227.db2.gz FWXQPJWFHWEIHO-OAHLLOKOSA-N 1 1 299.378 1.059 50 0 CDAAMO O=C(Cn1ccnc1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000222540243 359353231 /nfs/dbraw/zinc/35/32/31/359353231.db2.gz FWXQPJWFHWEIHO-OAHLLOKOSA-N 1 1 299.378 1.059 50 0 CDAAMO [NH3+][C@H]1C[C@@H](c2cc(N3CCC(c4ccn[nH]4)CC3)ncn2)C1 ZINC000223404990 359423745 /nfs/dbraw/zinc/42/37/45/359423745.db2.gz HYSOQAFOKNPFCC-JOCQHMNTSA-N 1 1 298.394 1.788 50 0 CDAAMO CN(Cc1n[nH]c2c1CCC2)c1cc(C2CC([NH3+])C2)ncn1 ZINC000223186869 359406865 /nfs/dbraw/zinc/40/68/65/359406865.db2.gz 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/nfs/dbraw/zinc/30/93/71/360309371.db2.gz FFBIRCAWBLTSQF-RBSFLKMASA-N 1 1 279.380 1.844 50 0 CDAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000248003761 360309377 /nfs/dbraw/zinc/30/93/77/360309377.db2.gz FFBIRCAWBLTSQF-RBSFLKMASA-N 1 1 279.380 1.844 50 0 CDAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2ncon2)CC1 ZINC000426545468 360681816 /nfs/dbraw/zinc/68/18/16/360681816.db2.gz TYCOBVXVONVJOG-JTQLQIEISA-N 1 1 289.339 1.542 50 0 CDAAMO O=C(c1cccc(-c2c[nH]cn2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000426389209 360662769 /nfs/dbraw/zinc/66/27/69/360662769.db2.gz DVSNCZBLSHQMIV-HNNXBMFYSA-N 1 1 296.374 1.997 50 0 CDAAMO C=CC(=O)N1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[C@@H]1C ZINC000526061581 364045582 /nfs/dbraw/zinc/04/55/82/364045582.db2.gz CBRJPFGIXUFMTM-WDEREUQCSA-N 1 1 285.351 1.935 50 0 in-vitro CDAAMO Cc1ccc(COC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016579257 364850406 /nfs/dbraw/zinc/85/04/06/364850406.db2.gz NAFHMESIBRXAPD-UXLLHSPISA-N 1 1 293.407 1.982 50 0 CDAAMO COC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177594797 364846627 /nfs/dbraw/zinc/84/66/27/364846627.db2.gz KBZZVAKWIVUAPK-TZMCWYRMSA-N 1 1 285.384 1.598 50 0 CDAAMO Cc1c(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cnn1C ZINC000089882974 366951037 /nfs/dbraw/zinc/95/10/37/366951037.db2.gz IPKCOFQOZAPJSF-LOWVWBTDSA-N 1 1 278.400 1.606 50 0 CDAAMO Cc1ccc([C@H](C)NC(=O)[C@H]2CSC[NH2+]2)cc1F ZINC000094956638 367747383 /nfs/dbraw/zinc/74/73/83/367747383.db2.gz JNTSLYWHEQXDMN-JOYOIKCWSA-N 1 1 268.357 1.974 50 0 CDAAMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C ZINC000249088693 284059178 /nfs/dbraw/zinc/05/91/78/284059178.db2.gz NOFMBKAGFXNTPR-IWSPIJDZSA-N 1 1 269.263 1.041 50 0 CDAAMO CCN1CCN([C@@H]2CC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749178 370951975 /nfs/dbraw/zinc/95/19/75/370951975.db2.gz MTRDMPWNQROHFW-HUUCEWRRSA-N 1 1 283.485 1.451 50 0 CDAAMO CCN1CCN([C@@H]2CC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749178 370951980 /nfs/dbraw/zinc/95/19/80/370951980.db2.gz MTRDMPWNQROHFW-HUUCEWRRSA-N 1 1 283.485 1.451 50 0 CDAAMO Cn1cc[nH+]c1CCNc1cc([C@H]2CCOC2)ncn1 ZINC000299784836 372758743 /nfs/dbraw/zinc/75/87/43/372758743.db2.gz IBNBTCNFNQTUHZ-NSHDSACASA-N 1 1 273.340 1.369 50 0 CDAAMO Cc1noc([C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2CO)n1 ZINC000253415117 373724300 /nfs/dbraw/zinc/72/43/00/373724300.db2.gz ZROUDHMNESHCBD-LSDHHAIUSA-N 1 1 287.363 1.894 50 0 CDAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H]2C[C@@H](C)OC2=O)c1 ZINC000253603482 373937955 /nfs/dbraw/zinc/93/79/55/373937955.db2.gz GFCRDEIAHUNAFV-AGIUHOORSA-N 1 1 263.341 1.360 50 0 CDAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H]2C[C@@H](C)OC2=O)c1 ZINC000253603482 373937959 /nfs/dbraw/zinc/93/79/59/373937959.db2.gz GFCRDEIAHUNAFV-AGIUHOORSA-N 1 1 263.341 1.360 50 0 CDAAMO C[C@H](CCN(C)C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000095421274 374923447 /nfs/dbraw/zinc/92/34/47/374923447.db2.gz PZKKLKWOAQEADK-CYBMUJFWSA-N 1 1 293.411 1.814 50 0 CDAAMO Cc1nc(C)c(C[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000020598848 374980514 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ZINC000242167666 391681527 /nfs/dbraw/zinc/68/15/27/391681527.db2.gz WYMVRWQDRNDPBI-TZMCWYRMSA-N 1 1 266.385 1.546 50 0 CDAAMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC000425003369 391791808 /nfs/dbraw/zinc/79/18/08/391791808.db2.gz SRLJZZGOPFBAKG-LBPRGKRZSA-N 1 1 288.457 1.555 50 0 CDAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000008142764 391948191 /nfs/dbraw/zinc/94/81/91/391948191.db2.gz SAJPJOGBTXJTKG-QWRGUYRKSA-N 1 1 269.389 1.731 50 0 CDAAMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000645955151 393431508 /nfs/dbraw/zinc/43/15/08/393431508.db2.gz WARSAYNVXLGEJJ-VXGBXAGGSA-N 1 1 299.378 1.636 50 0 CDAAMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000645955151 393431510 /nfs/dbraw/zinc/43/15/10/393431510.db2.gz WARSAYNVXLGEJJ-VXGBXAGGSA-N 1 1 299.378 1.636 50 0 CDAAMO Cc1ccc([C@@H]2C[N@H+](CCCO)C[C@H]2N(C)C)cc1 ZINC000077471183 292219790 /nfs/dbraw/zinc/21/97/90/292219790.db2.gz PKIZAOASAAXPBA-JKSUJKDBSA-N 1 1 262.397 1.707 50 0 CDAAMO Cc1ccc([C@@H]2CN(CCCO)C[C@H]2[NH+](C)C)cc1 ZINC000077471183 292219792 /nfs/dbraw/zinc/21/97/92/292219792.db2.gz PKIZAOASAAXPBA-JKSUJKDBSA-N 1 1 262.397 1.707 50 0 CDAAMO CC[C@@H]1CN([C@H](C)C(=O)N2CCCC2)CC[N@H+]1CCOC ZINC000252474773 287209957 /nfs/dbraw/zinc/20/99/57/287209957.db2.gz LYWRJEMIWXJXTC-HUUCEWRRSA-N 1 1 297.443 1.040 50 0 CDAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCCC3)C2=O)cc1 ZINC000004878332 170035753 /nfs/dbraw/zinc/03/57/53/170035753.db2.gz YGXQBALCQCKHAB-CQSZACIVSA-N 1 1 288.347 1.813 50 0 CDAAMO CCOc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000006699115 170228286 /nfs/dbraw/zinc/22/82/86/170228286.db2.gz JFUOUNYILIJQCM-UHFFFAOYSA-N 1 1 262.353 1.863 50 0 CDAAMO O=C(C[NH+]1CCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000007786072 170302586 /nfs/dbraw/zinc/30/25/86/170302586.db2.gz BDFPAOIJGTWLME-UHFFFAOYSA-N 1 1 287.363 1.613 50 0 CDAAMO OCc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000020653548 171269594 /nfs/dbraw/zinc/26/95/94/171269594.db2.gz ZLWFZHDKMLBVQD-UHFFFAOYSA-N 1 1 251.326 1.280 50 0 CDAAMO CC[NH+]1CCN(c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000021631164 171317813 /nfs/dbraw/zinc/31/78/13/171317813.db2.gz RABPQCRKJOXGPY-UHFFFAOYSA-N 1 1 288.351 1.887 50 0 CDAAMO C[C@@H](Cc1ccccc1F)[NH+]1CCN(CCO)CC1 ZINC000022455193 171388445 /nfs/dbraw/zinc/38/84/45/171388445.db2.gz RCZWETNQVRYAGE-ZDUSSCGKSA-N 1 1 266.360 1.367 50 0 CDAAMO CCOc1ccccc1NC(=O)N1CC[NH+](C)CC1 ZINC000040476279 174282961 /nfs/dbraw/zinc/28/29/61/174282961.db2.gz IHEUIBKJCWSUCO-UHFFFAOYSA-N 1 1 263.341 1.865 50 0 CDAAMO Cn1nccc1C1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000058313648 175617878 /nfs/dbraw/zinc/61/78/78/175617878.db2.gz ZYELEPQYARKCBJ-INIZCTEOSA-N 1 1 298.390 1.826 50 0 CDAAMO CCCN1CCC([NH2+]CCCn2nc(C)nc2C)CC1 ZINC000065461461 175740148 /nfs/dbraw/zinc/74/01/48/175740148.db2.gz HEIGJYMCPWMTAE-UHFFFAOYSA-N 1 1 279.432 1.749 50 0 CDAAMO COc1c(C)cnc(C[N@H+]2CCC[C@](O)(CO)C2)c1C ZINC000072152607 176327598 /nfs/dbraw/zinc/32/75/98/176327598.db2.gz IDSBDDQJMQEIPG-OAHLLOKOSA-N 1 1 280.368 1.026 50 0 CDAAMO COc1c(C)c[nH+]c(CN2CCC[C@](O)(CO)C2)c1C ZINC000072152607 176327600 /nfs/dbraw/zinc/32/76/00/176327600.db2.gz IDSBDDQJMQEIPG-OAHLLOKOSA-N 1 1 280.368 1.026 50 0 CDAAMO O[C@H](CC[N@@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)c1ccccc1 ZINC000072157521 176329355 /nfs/dbraw/zinc/32/93/55/176329355.db2.gz CTPNBONZRPQBNG-ALYAQQCSSA-N 1 1 291.391 1.174 50 0 CDAAMO Cn1ncc(C[N@H+]2CCC[C@@](O)(CO)CC2)c1C1CC1 ZINC000072162744 176330317 /nfs/dbraw/zinc/33/03/17/176330317.db2.gz SVTNMUKUXNSWLM-HNNXBMFYSA-N 1 1 279.384 1.007 50 0 CDAAMO O=C(NCCc1cnc[nH]1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072163438 176330657 /nfs/dbraw/zinc/33/06/57/176330657.db2.gz SGGBLYCMLGGADP-GFCCVEGCSA-N 1 1 284.363 1.459 50 0 CDAAMO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000009069374 260034800 /nfs/dbraw/zinc/03/48/00/260034800.db2.gz KUJZWPHBNKTQBE-UHFFFAOYSA-N 1 1 289.379 1.392 50 0 CDAAMO C[N@H+]1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO ZINC000020601140 277109054 /nfs/dbraw/zinc/10/90/54/277109054.db2.gz 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/nfs/dbraw/zinc/70/79/85/1159707985.db2.gz HWJXZUVQWXVQEX-CYBMUJFWSA-N 1 1 257.341 1.888 50 0 CDAAMO Cc1nnc([C@H]2CCC[N@H+]2CCc2ccccn2)[nH]1 ZINC000244673832 1159707989 /nfs/dbraw/zinc/70/79/89/1159707989.db2.gz HWJXZUVQWXVQEX-CYBMUJFWSA-N 1 1 257.341 1.888 50 0 CDAAMO CCCn1cnnc1[C@@H](C)Nc1nc(N)[nH+]cc1C ZINC000091603811 482571962 /nfs/dbraw/zinc/57/19/62/482571962.db2.gz AHNHAYIOXMUHBB-SECBINFHSA-N 1 1 261.333 1.542 50 0 CDAAMO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000670446187 482996907 /nfs/dbraw/zinc/99/69/07/482996907.db2.gz XFVAFNXYSVUGFH-GFCCVEGCSA-N 1 1 286.379 1.911 50 0 CDAAMO C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000670446187 482996913 /nfs/dbraw/zinc/99/69/13/482996913.db2.gz XFVAFNXYSVUGFH-GFCCVEGCSA-N 1 1 286.379 1.911 50 0 CDAAMO c1cnn(CCC[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000670446596 482998158 /nfs/dbraw/zinc/99/81/58/482998158.db2.gz CIDAUFQBXXRFMU-UHFFFAOYSA-N 1 1 259.357 1.876 50 0 CDAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)C1CCOCC1)C2 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C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000067982849 525089846 /nfs/dbraw/zinc/08/98/46/525089846.db2.gz YKHMIWPLEWYBHE-CYBMUJFWSA-N 1 1 284.363 1.583 50 0 CDAAMO CCC[C@H]1CN(C(=O)C2CC2)CC[N@H+]1CCOC ZINC000096487594 528391366 /nfs/dbraw/zinc/39/13/66/528391366.db2.gz QHTYUQOHYOPLHZ-ZDUSSCGKSA-N 1 1 254.374 1.356 50 0 CDAAMO C[N@H+]1CCCC[C@@H]1CCN1CCN(c2cccnn2)CC1 ZINC000268515785 536354654 /nfs/dbraw/zinc/35/46/54/536354654.db2.gz DNHSGRFKWXJVEX-OAHLLOKOSA-N 1 1 289.427 1.473 50 0 CDAAMO CC(C)(O)CC[N@H+]1CCC[C@@H](CNC(=O)C2CCC2)C1 ZINC000952976999 614184605 /nfs/dbraw/zinc/18/46/05/614184605.db2.gz RLOPCPOWNJAARH-ZDUSSCGKSA-N 1 1 282.428 1.776 50 0 CDAAMO CC[C@@H](C)C[N@@H+]1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000952991804 615445171 /nfs/dbraw/zinc/44/51/71/615445171.db2.gz DYMQGOLBSJQPGF-OCCSQVGLSA-N 1 1 278.400 1.962 50 0 CDAAMO CC[C@@H](C)C[N@H+]1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000952991804 615445173 /nfs/dbraw/zinc/44/51/73/615445173.db2.gz DYMQGOLBSJQPGF-OCCSQVGLSA-N 1 1 278.400 1.962 50 0 CDAAMO C[N@H+]1CCC[C@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000952973096 616211644 /nfs/dbraw/zinc/21/16/44/616211644.db2.gz KEGMKGSAEMYKGX-NSHDSACASA-N 1 1 275.308 1.645 50 0 CDAAMO COCCn1c(C)c[nH+]c1CCNC(=O)c1cccs1 ZINC000581817002 1161982162 /nfs/dbraw/zinc/98/21/62/1161982162.db2.gz MOJGEEURSRHCGF-UHFFFAOYSA-N 1 1 293.392 1.872 50 0 CDAAMO CC(=O)c1cnc(NC[C@@H]2CCCC[N@@H+]2C)nc1C ZINC001704315368 1177686255 /nfs/dbraw/zinc/68/62/55/1177686255.db2.gz AZNCPPUYTOAMSG-LBPRGKRZSA-N 1 1 262.357 1.884 50 0 CDAAMO CC(C)Cn1cncc1C[N@H+](C)C[C@H]1COCCO1 ZINC001704349547 1177697504 /nfs/dbraw/zinc/69/75/04/1177697504.db2.gz ARVPHKGAHZSVEL-AWEZNQCLSA-N 1 1 267.373 1.386 50 0 CDAAMO CC(C)Cn1cncc1C[N@@H+](C)C[C@H]1COCCO1 ZINC001704349547 1177697509 /nfs/dbraw/zinc/69/75/09/1177697509.db2.gz ARVPHKGAHZSVEL-AWEZNQCLSA-N 1 1 267.373 1.386 50 0 CDAAMO C[C@H](COC[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000020638943 784762172 /nfs/dbraw/zinc/76/21/72/784762172.db2.gz NOFWBZNOYUENPG-NVXWUHKLSA-N 1 1 292.423 1.415 50 0 CDAAMO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000037042217 784824854 /nfs/dbraw/zinc/82/48/54/784824854.db2.gz HHACHWCMHMUCSE-GXFFZTMASA-N 1 1 280.393 1.492 50 0 CDAAMO CC(C)CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039466969 784929341 /nfs/dbraw/zinc/92/93/41/784929341.db2.gz RGSCLQYAIVYKSQ-OAHLLOKOSA-N 1 1 254.418 1.954 50 0 CDAAMO CC(C)C[N@@H+]1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039466969 784929351 /nfs/dbraw/zinc/92/93/51/784929351.db2.gz RGSCLQYAIVYKSQ-OAHLLOKOSA-N 1 1 254.418 1.954 50 0 CDAAMO CC(C)C[N@H+]1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039466969 784929363 /nfs/dbraw/zinc/92/93/63/784929363.db2.gz RGSCLQYAIVYKSQ-OAHLLOKOSA-N 1 1 254.418 1.954 50 0 CDAAMO COc1ccc(C[N@H+](CCO)Cc2cncn2C)cc1 ZINC000880571223 785011375 /nfs/dbraw/zinc/01/13/75/785011375.db2.gz OBHSTHOVGOWRIW-UHFFFAOYSA-N 1 1 275.352 1.423 50 0 CDAAMO COc1ccc(C[N@@H+](CCO)Cc2cncn2C)cc1 ZINC000880571223 785011384 /nfs/dbraw/zinc/01/13/84/785011384.db2.gz OBHSTHOVGOWRIW-UHFFFAOYSA-N 1 1 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O[C@H]([C@H]1CCC[N@H+]1CCOC[C@H]1CCCO1)C(F)(F)F ZINC000245281201 378035719 /nfs/dbraw/zinc/03/57/19/378035719.db2.gz AEMRESOZUGYQLY-IJLUTSLNSA-N 1 1 297.317 1.570 50 0 CDAAMO Cc1noc(CN(C)C(=O)CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000095361777 184953035 /nfs/dbraw/zinc/95/30/35/184953035.db2.gz NDUXTHUBHWHLCO-GFCCVEGCSA-N 1 1 280.372 1.458 50 0 CDAAMO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000096415003 390512145 /nfs/dbraw/zinc/51/21/45/390512145.db2.gz ZRWYHBCXCMHQSD-LBPRGKRZSA-N 1 1 293.367 1.961 50 0 CDAAMO CNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000096415003 390512146 /nfs/dbraw/zinc/51/21/46/390512146.db2.gz ZRWYHBCXCMHQSD-LBPRGKRZSA-N 1 1 293.367 1.961 50 0 CDAAMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCS(C)(=O)=O ZINC000089949289 392527993 /nfs/dbraw/zinc/52/79/93/392527993.db2.gz NPHXIHODEKUBTB-AWEZNQCLSA-N 1 1 296.436 1.762 50 0 CDAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCS(C)(=O)=O ZINC000089949289 392528002 /nfs/dbraw/zinc/52/80/02/392528002.db2.gz NPHXIHODEKUBTB-AWEZNQCLSA-N 1 1 296.436 1.762 50 0 CDAAMO CCCC[N@@H+](C)CCNC(=O)N1CCOCC[C@@H]1C ZINC000095984079 393155269 /nfs/dbraw/zinc/15/52/69/393155269.db2.gz BYNNUOIBEJPVQI-ZDUSSCGKSA-N 1 1 271.405 1.539 50 0 CDAAMO OCCC[C@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000096421777 393185273 /nfs/dbraw/zinc/18/52/73/393185273.db2.gz NCIBJVVAJGTZMR-KGLIPLIRSA-N 1 1 257.374 1.419 50 0 CDAAMO Cc1nsc(NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000084286905 483270103 /nfs/dbraw/zinc/27/01/03/483270103.db2.gz TXKXHGNSRWDNLY-NSHDSACASA-N 1 1 270.402 1.615 50 0 CDAAMO Cc1nsc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000084286905 483270106 /nfs/dbraw/zinc/27/01/06/483270106.db2.gz TXKXHGNSRWDNLY-NSHDSACASA-N 1 1 270.402 1.615 50 0 CDAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000021331253 171302695 /nfs/dbraw/zinc/30/26/95/171302695.db2.gz NSYVSQCTDVDJFL-TZMCWYRMSA-N 1 1 288.347 1.653 50 0 CDAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000021331253 171302696 /nfs/dbraw/zinc/30/26/96/171302696.db2.gz 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CCOCCC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077341769 177254759 /nfs/dbraw/zinc/25/47/59/177254759.db2.gz PYTUCTBIYCMLIF-UHFFFAOYSA-N 1 1 291.395 1.543 50 0 CDAAMO CC1(C)CN=C(N2CC[NH+](C[C@H]3CCCO3)CC2)S1 ZINC000095409813 275852587 /nfs/dbraw/zinc/85/25/87/275852587.db2.gz SKGFRISVJCXRIT-GFCCVEGCSA-N 1 1 283.441 1.664 50 0 CDAAMO CCOC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000239352755 276277450 /nfs/dbraw/zinc/27/74/50/276277450.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 1 1 280.412 1.888 50 0 CDAAMO CCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000239352755 276277451 /nfs/dbraw/zinc/27/74/51/276277451.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 1 1 280.412 1.888 50 0 CDAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H]3CCCCO3)[C@@H]2C1 ZINC000246596547 277295880 /nfs/dbraw/zinc/29/58/80/277295880.db2.gz MPHNQPNMJZTTOF-TUVASFSCSA-N 1 1 269.385 1.824 50 0 CDAAMO COc1cc(OC)nc(N2CCC3(CC[N@@H+](C)C3)CC2)n1 ZINC000065409413 277387388 /nfs/dbraw/zinc/38/73/88/277387388.db2.gz ZDLSWGXTDRZQAV-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/00/77/44/969007744.db2.gz XOYBIEHEVNXUNQ-UHFFFAOYSA-N 1 1 278.400 1.797 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](C)n1cccn1 ZINC000106779468 349484285 /nfs/dbraw/zinc/48/42/85/349484285.db2.gz RIJSKECRKBTQOE-ZNMIVQPWSA-N 1 1 290.411 1.919 50 0 CDAAMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@@H]2CCC[C@H]2C1 ZINC000084137087 539086191 /nfs/dbraw/zinc/08/61/91/539086191.db2.gz PBLKBKWJSOBAIQ-BYNSBNAKSA-N 1 1 293.411 1.291 50 0 CDAAMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(OC)c1 ZINC000095982664 185053862 /nfs/dbraw/zinc/05/38/62/185053862.db2.gz DBPIUQSOSNEJGU-YPMHNXCESA-N 1 1 292.379 1.790 50 0 CDAAMO CCNS(=O)(=O)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000092700234 361740596 /nfs/dbraw/zinc/74/05/96/361740596.db2.gz CILPCJXCBFGMIX-VIFPVBQESA-N 1 1 289.788 1.253 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1O ZINC000023115116 342089036 /nfs/dbraw/zinc/08/90/36/342089036.db2.gz NZFPAOIVNXCIEP-GFCCVEGCSA-N 1 1 251.326 1.605 50 0 CDAAMO Cc1ccccc1OC1CN(c2nc(N)cc[nH+]2)C1 ZINC000096141955 185106456 /nfs/dbraw/zinc/10/64/56/185106456.db2.gz FBRUJSYAHLFTPR-UHFFFAOYSA-N 1 1 256.309 1.635 50 0 CDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC000244678937 361857226 /nfs/dbraw/zinc/85/72/26/361857226.db2.gz IMSQHDNEOTZDDU-AWEZNQCLSA-N 1 1 278.400 1.436 50 0 CDAAMO CC[C@@H](C(=O)NCc1[nH]cc(C)c(=O)c1C)[N@@H+](C)CC ZINC000244734846 361860212 /nfs/dbraw/zinc/86/02/12/361860212.db2.gz NMUVZRZAMLKRLG-ZDUSSCGKSA-N 1 1 279.384 1.751 50 0 CDAAMO COc1ccccc1C[N@H+](C)CCN1CCNC1=O ZINC000290018239 361975680 /nfs/dbraw/zinc/97/56/80/361975680.db2.gz BZBWNEFWJKXNCK-UHFFFAOYSA-N 1 1 263.341 1.152 50 0 CDAAMO COc1ccccc1C[N@@H+](C)CCN1CCNC1=O ZINC000290018239 361975683 /nfs/dbraw/zinc/97/56/83/361975683.db2.gz BZBWNEFWJKXNCK-UHFFFAOYSA-N 1 1 263.341 1.152 50 0 CDAAMO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089512388 362311397 /nfs/dbraw/zinc/31/13/97/362311397.db2.gz AWTWCPHJYBPIHE-BRAIEQGRSA-N 1 1 296.802 1.558 50 0 CDAAMO CCc1nc(CCNC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000252488223 362386828 /nfs/dbraw/zinc/38/68/28/362386828.db2.gz INVCYTHCPHMBOI-TXEJJXNPSA-N 1 1 294.399 1.554 50 0 CDAAMO O=C(NCc1cn(-c2cc[nH+]cc2)nn1)c1ccccc1F ZINC000390831282 344890478 /nfs/dbraw/zinc/89/04/78/344890478.db2.gz QYOKDXVCXWNGRT-UHFFFAOYSA-N 1 1 297.293 1.731 50 0 CDAAMO CCC1=NO[C@@H](CNC(=O)N(C)CCn2cc[nH+]c2C)C1 ZINC000584886132 349343878 /nfs/dbraw/zinc/34/38/78/349343878.db2.gz BFDUZOLZFALWQS-CYBMUJFWSA-N 1 1 293.371 1.388 50 0 CDAAMO CN(C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21)C1Cc2ccccc2C1 ZINC000584888760 349347385 /nfs/dbraw/zinc/34/73/85/349347385.db2.gz UCBVWKWZFZOYQJ-MRXNPFEDSA-N 1 1 296.374 1.222 50 0 CDAAMO CSCC[NH+]1CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1 ZINC000584889618 349348716 /nfs/dbraw/zinc/34/87/16/349348716.db2.gz JMNVHZOBWPHVDQ-ZDUSSCGKSA-N 1 1 296.440 1.260 50 0 CDAAMO Cc1ccc(NCCCn2cnc3ccncc3c2=O)[nH+]c1 ZINC000584897751 349359310 /nfs/dbraw/zinc/35/93/10/349359310.db2.gz PUUQHTFRWWVGSZ-UHFFFAOYSA-N 1 1 295.346 1.419 50 0 CDAAMO Cc1cnn(CCCNC(=O)CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000091486641 180167550 /nfs/dbraw/zinc/16/75/50/180167550.db2.gz BACXTGBTJKXDGF-OAHLLOKOSA-N 1 1 292.427 1.820 50 0 CDAAMO COc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN(C)C)C2)c1 ZINC000091494658 180170979 /nfs/dbraw/zinc/17/09/79/180170979.db2.gz MCJQYEOJFVRFET-HUUCEWRRSA-N 1 1 278.396 1.297 50 0 CDAAMO COc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN(C)C)C2)c1 ZINC000091494658 180170980 /nfs/dbraw/zinc/17/09/80/180170980.db2.gz MCJQYEOJFVRFET-HUUCEWRRSA-N 1 1 278.396 1.297 50 0 CDAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCC(C)CC2)C[C@@]1(O)C1CC1 ZINC000091625311 180209615 /nfs/dbraw/zinc/20/96/15/180209615.db2.gz LRPKXQBGCCXZEC-PBHICJAKSA-N 1 1 294.439 1.728 50 0 CDAAMO CC[C@](O)(CCCO)CNc1nc(C)[nH+]c(C)c1C ZINC000091892788 180280760 /nfs/dbraw/zinc/28/07/60/180280760.db2.gz KEASQHUIBRCDIQ-AWEZNQCLSA-N 1 1 267.373 1.727 50 0 CDAAMO COC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000106620317 186129295 /nfs/dbraw/zinc/12/92/95/186129295.db2.gz 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/nfs/dbraw/zinc/26/65/77/363266577.db2.gz DLTMOTABDDSMPY-NSHDSACASA-N 1 1 276.336 1.360 50 0 CDAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)cc1 ZINC000000102144 355887224 /nfs/dbraw/zinc/88/72/24/355887224.db2.gz FGHXHGXNKZPYCG-AWEZNQCLSA-N 1 1 288.347 1.813 50 0 CDAAMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000014184284 356378156 /nfs/dbraw/zinc/37/81/56/356378156.db2.gz NFMGGCPCNBKPFO-CYBMUJFWSA-N 1 1 294.395 1.919 50 0 CDAAMO C[N@H+]1CC[C@](O)(c2ccco2)[C@@H]([C@@H](O)c2ccco2)C1 ZINC000015106313 356407166 /nfs/dbraw/zinc/40/71/66/356407166.db2.gz SVKRQFXAPDYWAG-KCPJHIHWSA-N 1 1 277.320 1.746 50 0 CDAAMO c1ccc(CN2CCN(C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000020072370 356524075 /nfs/dbraw/zinc/52/40/75/356524075.db2.gz UHYRMPACUMZTCQ-KRWDZBQOSA-N 1 1 273.424 1.946 50 0 CDAAMO NC(=O)[C@@H]1C[N@H+]([C@H]2CCCCc3ccccc32)CCO1 ZINC000078972620 538520995 /nfs/dbraw/zinc/52/09/95/538520995.db2.gz WTVCQOLEZGUJIU-GJZGRUSLSA-N 1 1 274.364 1.640 50 0 CDAAMO CC(=O)NCC1=CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000065502474 357546062 /nfs/dbraw/zinc/54/60/62/357546062.db2.gz FMQZMMJHXNVCFJ-UHFFFAOYSA-N 1 1 292.354 1.973 50 0 CDAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CC[C@H](O)C3)cc2c1 ZINC000067773452 357626281 /nfs/dbraw/zinc/62/62/81/357626281.db2.gz QJYSBKSNGHGQQD-ZDUSSCGKSA-N 1 1 288.347 1.493 50 0 CDAAMO CCC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437586 357835582 /nfs/dbraw/zinc/83/55/82/357835582.db2.gz PGDZPLWKFMRVEG-UHFFFAOYSA-N 1 1 289.383 1.135 50 0 CDAAMO Cc1cccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000097163349 358004291 /nfs/dbraw/zinc/00/42/91/358004291.db2.gz ZCNNQUNJOGHLHP-HUUCEWRRSA-N 1 1 275.396 1.816 50 0 CDAAMO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ncn(C)n1 ZINC000294588702 199098156 /nfs/dbraw/zinc/09/81/56/199098156.db2.gz HGQLLMCZRDDJNT-WDEREUQCSA-N 1 1 260.341 1.803 50 0 CDAAMO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000195119597 358551987 /nfs/dbraw/zinc/55/19/87/358551987.db2.gz CJZQUHVFHBWUHT-HOTGVXAUSA-N 1 1 287.407 1.601 50 0 CDAAMO Cc1ncc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)n1C ZINC000097527320 358782642 /nfs/dbraw/zinc/78/26/42/358782642.db2.gz NAUVFAMBLDGFAW-INIZCTEOSA-N 1 1 271.364 1.822 50 0 CDAAMO O=C(C=Cc1ccc2c(c1)OCO2)NCCc1cnc[nH]1 ZINC000013592178 366484008 /nfs/dbraw/zinc/48/40/08/366484008.db2.gz QQXGKBHQEIGKLI-DUXPYHPUSA-N 1 1 285.303 1.511 50 0 CDAAMO CCc1nccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000215122158 358875383 /nfs/dbraw/zinc/87/53/83/358875383.db2.gz ISMPCNCAZUVLJG-INIZCTEOSA-N 1 1 288.395 1.483 50 0 CDAAMO CC[N@H+](Cc1cccc2nonc21)[C@H]1CCS(=O)(=O)C1 ZINC000216258434 358933606 /nfs/dbraw/zinc/93/36/06/358933606.db2.gz IOKPKRDWKGAGME-NSHDSACASA-N 1 1 295.364 1.232 50 0 CDAAMO CC[N@@H+](Cc1cccc2nonc21)[C@H]1CCS(=O)(=O)C1 ZINC000216258434 358933608 /nfs/dbraw/zinc/93/36/08/358933608.db2.gz IOKPKRDWKGAGME-NSHDSACASA-N 1 1 295.364 1.232 50 0 CDAAMO C[N@@H+]1CCOC[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC000257178447 359146730 /nfs/dbraw/zinc/14/67/30/359146730.db2.gz GIENREAULXNMLC-VXGBXAGGSA-N 1 1 280.393 1.541 50 0 CDAAMO C[N@H+]1CCOC[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC000257178447 359146735 /nfs/dbraw/zinc/14/67/35/359146735.db2.gz GIENREAULXNMLC-VXGBXAGGSA-N 1 1 280.393 1.541 50 0 CDAAMO Cc1[nH+]ccn1CC(=O)NCCCOC1CCCC1 ZINC000297908684 200303016 /nfs/dbraw/zinc/30/30/16/200303016.db2.gz SSVFLHDYYIRGDL-UHFFFAOYSA-N 1 1 265.357 1.657 50 0 CDAAMO CCn1ccc(C(=O)N2CC(n3cc[nH+]c3C(C)C)C2)n1 ZINC000409420117 360223051 /nfs/dbraw/zinc/22/30/51/360223051.db2.gz GSPOUOPJGFOGCY-UHFFFAOYSA-N 1 1 287.367 1.920 50 0 CDAAMO CNC(=O)CCC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1C ZINC000426387066 360662360 /nfs/dbraw/zinc/66/23/60/360662360.db2.gz JBJRWQJHYXRFMQ-JTQLQIEISA-N 1 1 280.372 1.174 50 0 CDAAMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(CO)cc1 ZINC000311124095 361263526 /nfs/dbraw/zinc/26/35/26/361263526.db2.gz YHTGAORVNGLFGW-CYBMUJFWSA-N 1 1 250.386 1.997 50 0 CDAAMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(CO)cc1 ZINC000311124095 361263530 /nfs/dbraw/zinc/26/35/30/361263530.db2.gz 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CCc1nnc(NC(=O)CC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000244633228 361854772 /nfs/dbraw/zinc/85/47/72/361854772.db2.gz FZJDHFHHEJQUTR-JTQLQIEISA-N 1 1 298.412 1.540 50 0 CDAAMO Cc1nnc(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)[nH]1 ZINC000244673649 361854875 /nfs/dbraw/zinc/85/48/75/361854875.db2.gz HTHCTSOHNRBGHB-LBPRGKRZSA-N 1 1 291.399 1.336 50 0 CDAAMO Cc1nnc(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)[nH]1 ZINC000244673649 361854878 /nfs/dbraw/zinc/85/48/78/361854878.db2.gz HTHCTSOHNRBGHB-LBPRGKRZSA-N 1 1 291.399 1.336 50 0 CDAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCNC1=O ZINC000037210461 539141989 /nfs/dbraw/zinc/14/19/89/539141989.db2.gz BYPICHFBSHCXNV-RYUDHWBXSA-N 1 1 265.357 1.050 50 0 CDAAMO CCc1ccccc1C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000096485476 529565382 /nfs/dbraw/zinc/56/53/82/529565382.db2.gz BERJFTOKKPBBTR-OAHLLOKOSA-N 1 1 290.407 1.778 50 0 CDAAMO CCc1ccccc1C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000096485475 529565460 /nfs/dbraw/zinc/56/54/60/529565460.db2.gz BERJFTOKKPBBTR-HNNXBMFYSA-N 1 1 290.407 1.778 50 0 CDAAMO Cc1ncc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)o1 ZINC000585120800 362040324 /nfs/dbraw/zinc/04/03/24/362040324.db2.gz LTVCTQSLZIBLJC-NSHDSACASA-N 1 1 267.373 1.260 50 0 CDAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C1 ZINC000585117789 362046234 /nfs/dbraw/zinc/04/62/34/362046234.db2.gz XDBQOMBCCFWCJD-CQSZACIVSA-N 1 1 292.379 1.145 50 0 CDAAMO COC(C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)OC ZINC000189183683 342357913 /nfs/dbraw/zinc/35/79/13/342357913.db2.gz GEEMNBIJBAQMNL-ZDUSSCGKSA-N 1 1 269.316 1.898 50 0 CDAAMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000083877713 362255453 /nfs/dbraw/zinc/25/54/53/362255453.db2.gz FQNKZYMEOLPWDP-LBPRGKRZSA-N 1 1 286.379 1.701 50 0 CDAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000252486502 362386259 /nfs/dbraw/zinc/38/62/59/362386259.db2.gz HMJPLGJHDYPVPY-UHFFFAOYSA-N 1 1 266.389 1.416 50 0 CDAAMO Cc1n[nH]c(C)c1CC[N@H+](C)CC(=O)NC(C)(C)C ZINC000252486502 362386264 /nfs/dbraw/zinc/38/62/64/362386264.db2.gz HMJPLGJHDYPVPY-UHFFFAOYSA-N 1 1 266.389 1.416 50 0 CDAAMO CC[N@H+]1CCC[C@H]1Cn1cnc2ncccc2c1=O ZINC000584885234 349343423 /nfs/dbraw/zinc/34/34/23/349343423.db2.gz HIRROSNIINLSTP-NSHDSACASA-N 1 1 258.325 1.276 50 0 CDAAMO O=C([C@@H]1CCOC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584886686 349344839 /nfs/dbraw/zinc/34/48/39/349344839.db2.gz XAYDRIDEVNRAJH-CQSZACIVSA-N 1 1 280.412 1.890 50 0 CDAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1cnc(N)s1)C2 ZINC000584895458 349356051 /nfs/dbraw/zinc/35/60/51/349356051.db2.gz ZGQOYLJEHRDOFJ-UWVGGRQHSA-N 1 1 280.397 1.112 50 0 CDAAMO C[C@@H](C[NH+]1CCCCCC1)NCCc1cnn(C)c1 ZINC000584898418 349359997 /nfs/dbraw/zinc/35/99/97/349359997.db2.gz WYFXWDFKOBZBQN-AWEZNQCLSA-N 1 1 264.417 1.817 50 0 CDAAMO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC000584899271 349361637 /nfs/dbraw/zinc/36/16/37/349361637.db2.gz VHHPAYRNCRNOQZ-SECBINFHSA-N 1 1 275.356 1.419 50 0 CDAAMO Cc1cc(N2CCNC(=O)C2)[nH+]c2cc3c(cc12)CCC3 ZINC000065381528 362948665 /nfs/dbraw/zinc/94/86/65/362948665.db2.gz QVDVBKWJXIPQLK-UHFFFAOYSA-N 1 1 281.359 1.968 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000091382214 180143785 /nfs/dbraw/zinc/14/37/85/180143785.db2.gz SYTMIONJESNPHE-INIZCTEOSA-N 1 1 291.395 1.865 50 0 CDAAMO COCCn1cnnc1CNc1nc(C)[nH+]c(C)c1C ZINC000091391141 180144522 /nfs/dbraw/zinc/14/45/22/180144522.db2.gz LQSCTVGZKDWSGX-UHFFFAOYSA-N 1 1 276.344 1.252 50 0 CDAAMO C[C@@H]1C[N@@H+](CC(=O)NCC2CCCCC2)C[C@]1(C)O ZINC000092077255 180317651 /nfs/dbraw/zinc/31/76/51/180317651.db2.gz SBKRUPIEUFTNLO-DOMZBBRYSA-N 1 1 268.401 1.386 50 0 CDAAMO C[C@H](CNC(=S)NC1CC1)[N@H+]1CCCC[C@@H]1C ZINC000106067947 186100183 /nfs/dbraw/zinc/10/01/83/186100183.db2.gz QIXTWBPORUQHCJ-WDEREUQCSA-N 1 1 255.431 1.876 50 0 CDAAMO CNC(=O)c1sc([C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1C ZINC000107495950 186176707 /nfs/dbraw/zinc/17/67/07/186176707.db2.gz WMCARNPKMIZUDD-VHSXEESVSA-N 1 1 281.381 1.347 50 0 CDAAMO CNC(=O)c1sc([C@H]2C[N@H+]3CCC[C@H]3CO2)nc1C ZINC000107495950 186176709 /nfs/dbraw/zinc/17/67/09/186176709.db2.gz WMCARNPKMIZUDD-VHSXEESVSA-N 1 1 281.381 1.347 50 0 CDAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC3CCC3)C[C@H]2C)CC1 ZINC000257365969 350963960 /nfs/dbraw/zinc/96/39/60/350963960.db2.gz DLZPENQESHEACN-CZUORRHYSA-N 1 1 279.428 1.271 50 0 CDAAMO O=S(=O)(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000015442738 363432151 /nfs/dbraw/zinc/43/21/51/363432151.db2.gz GWDAXKGFQPXHLB-UHFFFAOYSA-N 1 1 278.736 1.073 50 0 CDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2 ZINC000000000367 355879300 /nfs/dbraw/zinc/87/93/00/355879300.db2.gz ZTVIKZXZYLEVOL-IZGVIRRGSA-N 1 1 275.348 1.888 50 0 in-vitro CDAAMO O=c1c2nccnc2ncn1C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000584901790 355956446 /nfs/dbraw/zinc/95/64/46/355956446.db2.gz YCTMMVACWVOHHO-GFCCVEGCSA-N 1 1 299.378 1.451 50 0 CDAAMO Cc1c[nH+]c(N2CCC[C@H](C(=O)c3cccnc3)C2)nc1N ZINC000032603431 356305563 /nfs/dbraw/zinc/30/55/63/356305563.db2.gz RWGBOHGQZBNZIO-ZDUSSCGKSA-N 1 1 297.362 1.862 50 0 CDAAMO CNC(=S)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000013692361 356353506 /nfs/dbraw/zinc/35/35/06/356353506.db2.gz BBQNUTLQOSNHME-LBPRGKRZSA-N 1 1 271.430 1.068 50 0 CDAAMO CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014182834 356378479 /nfs/dbraw/zinc/37/84/79/356378479.db2.gz SAYPOZAETDKUAY-GFCCVEGCSA-N 1 1 287.319 1.202 50 0 CDAAMO CN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014182834 356378483 /nfs/dbraw/zinc/37/84/83/356378483.db2.gz SAYPOZAETDKUAY-GFCCVEGCSA-N 1 1 287.319 1.202 50 0 CDAAMO OC[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047122 356430418 /nfs/dbraw/zinc/43/04/18/356430418.db2.gz PFJHBDFPOOKYCC-NSHDSACASA-N 1 1 281.327 1.897 50 0 CDAAMO O=C(/C=C/c1ccco1)NCCC[NH+]1CCOCC1 ZINC000019229190 356477480 /nfs/dbraw/zinc/47/74/80/356477480.db2.gz ZKGNPZIJJMSWFO-SNAWJCMRSA-N 1 1 264.325 1.131 50 0 CDAAMO Cc1cc(C)cc(NC(=O)CCN2CC[NH+](C)CC2)c1 ZINC000019569636 356492273 /nfs/dbraw/zinc/49/22/73/356492273.db2.gz SFMWVYCGUMXQOC-UHFFFAOYSA-N 1 1 275.396 1.879 50 0 CDAAMO CCN1CC[NH+](C[C@@H](O)COCc2ccc(C)cc2)CC1 ZINC000023114583 356627924 /nfs/dbraw/zinc/62/79/24/356627924.db2.gz XSMDWQCZZRUWPK-QGZVFWFLSA-N 1 1 292.423 1.510 50 0 CDAAMO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)no1 ZINC000029077256 356729970 /nfs/dbraw/zinc/72/99/70/356729970.db2.gz VCOBUPNLGBVRQG-GFCCVEGCSA-N 1 1 296.371 1.461 50 0 CDAAMO COCCCNC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029810660 356743390 /nfs/dbraw/zinc/74/33/90/356743390.db2.gz QETGXWXLGUOWJW-HNNXBMFYSA-N 1 1 276.380 1.758 50 0 CDAAMO CC[NH+]1CCN(C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000049200660 357211099 /nfs/dbraw/zinc/21/10/99/357211099.db2.gz YVGMDFNRHUGNTM-UHFFFAOYSA-N 1 1 268.748 1.904 50 0 CDAAMO C[NH+]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000020028330 357237711 /nfs/dbraw/zinc/23/77/11/357237711.db2.gz MIGREITXIMIAAD-UHFFFAOYSA-N 1 1 261.300 1.695 50 0 CDAAMO CCCSc1ncc(C[NH2+]C[C@H]2CNCCO2)cn1 ZINC000055060732 357328480 /nfs/dbraw/zinc/32/84/80/357328480.db2.gz XSGDQKPKZZSCJI-GFCCVEGCSA-N 1 1 282.413 1.057 50 0 CDAAMO CC[NH+](CC)CC(=O)Oc1ccc(NC(C)=O)cc1 ZINC000055161176 357330350 /nfs/dbraw/zinc/33/03/50/357330350.db2.gz QTGAJCQTLIRCFL-UHFFFAOYSA-N 1 1 264.325 1.892 50 0 world CDAAMO C[C@@H](C(=O)N1CCCn2cncc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000072172991 357515699 /nfs/dbraw/zinc/51/56/99/357515699.db2.gz WRVXAEMEHRWOKH-KBPBESRZSA-N 1 1 290.411 1.736 50 0 CDAAMO C[C@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)Cn1cccn1 ZINC000095432808 357522143 /nfs/dbraw/zinc/52/21/43/357522143.db2.gz SKCUAQGWWXAUEJ-OLZOCXBDSA-N 1 1 296.440 1.073 50 0 CDAAMO Cc1[nH+]ccn1CCN(C)c1cc(NC2CC2)nc(N)n1 ZINC000065406300 357539122 /nfs/dbraw/zinc/53/91/22/357539122.db2.gz AUPPDJZAEJXMIE-UHFFFAOYSA-N 1 1 287.371 1.274 50 0 CDAAMO Cn1nc([C@H]2CCC[N@@H+](C)C2)n(-c2ccccc2)c1=O ZINC000067854769 357632866 /nfs/dbraw/zinc/63/28/66/357632866.db2.gz DSSQIKPALBILRJ-LBPRGKRZSA-N 1 1 272.352 1.380 50 0 CDAAMO Cn1cc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)cn1 ZINC000053933418 357807813 /nfs/dbraw/zinc/80/78/13/357807813.db2.gz LRXNKAIQTMXHSO-OAHLLOKOSA-N 1 1 259.353 1.976 50 0 CDAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072436300 357835531 /nfs/dbraw/zinc/83/55/31/357835531.db2.gz SLHAOCNIJZVKKP-CYBMUJFWSA-N 1 1 277.416 1.610 50 0 CDAAMO CCCC(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000072437949 357836191 /nfs/dbraw/zinc/83/61/91/357836191.db2.gz SABWSMVABQVJAQ-UHFFFAOYSA-N 1 1 291.399 1.300 50 0 CDAAMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000097112064 357986771 /nfs/dbraw/zinc/98/67/71/357986771.db2.gz IMDSWLTXJLJKCK-SECBINFHSA-N 1 1 255.387 1.753 50 0 CDAAMO CCOC(=O)CCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000195530659 358559388 /nfs/dbraw/zinc/55/93/88/358559388.db2.gz LMIUZNIHZIJQFA-PZROIBLQSA-N 1 1 275.414 1.561 50 0 CDAAMO CCOC(=O)CCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000195530659 358559391 /nfs/dbraw/zinc/55/93/91/358559391.db2.gz LMIUZNIHZIJQFA-PZROIBLQSA-N 1 1 275.414 1.561 50 0 CDAAMO C[C@@H]1C[N@H+](CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)C[C@H](C)O1 ZINC000091907177 358532772 /nfs/dbraw/zinc/53/27/72/358532772.db2.gz PHJYSNNYEGXUHP-ZENOOKHLSA-N 1 1 298.427 1.105 50 0 CDAAMO Cc1ccc([C@@H](C(=O)NCCCCCO)[NH+](C)C)cc1 ZINC000095358916 358684326 /nfs/dbraw/zinc/68/43/26/358684326.db2.gz KAKBAPHDHKBGBS-HNNXBMFYSA-N 1 1 278.396 1.877 50 0 CDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCn1cccc1 ZINC000095390390 358692274 /nfs/dbraw/zinc/69/22/74/358692274.db2.gz MWTMLHMFQSLGDO-CQSZACIVSA-N 1 1 263.385 1.869 50 0 CDAAMO CCn1nc(C)c(CCNC(=O)C[C@H]2CCC[N@H+]2C)c1C ZINC000097744593 358795207 /nfs/dbraw/zinc/79/52/07/358795207.db2.gz HLZKOLATUGTLNR-CQSZACIVSA-N 1 1 292.427 1.663 50 0 CDAAMO Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000215104169 358875268 /nfs/dbraw/zinc/87/52/68/358875268.db2.gz ZWCMFBPDUZEOSZ-GXTWGEPZSA-N 1 1 288.395 1.658 50 0 CDAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCc1ccc(O)cc1 ZINC000215593776 358895380 /nfs/dbraw/zinc/89/53/80/358895380.db2.gz PLRMAQQWPOZBRY-CQSZACIVSA-N 1 1 276.380 1.925 50 0 CDAAMO CC[N@H+](Cc1cccc2nonc21)[C@@H]1CCS(=O)(=O)C1 ZINC000216258392 358933205 /nfs/dbraw/zinc/93/32/05/358933205.db2.gz IOKPKRDWKGAGME-LLVKDONJSA-N 1 1 295.364 1.232 50 0 CDAAMO CC[N@@H+](Cc1cccc2nonc21)[C@@H]1CCS(=O)(=O)C1 ZINC000216258392 358933208 /nfs/dbraw/zinc/93/32/08/358933208.db2.gz IOKPKRDWKGAGME-LLVKDONJSA-N 1 1 295.364 1.232 50 0 CDAAMO Cc1[nH+]ccn1-c1ccccc1CNc1ncncn1 ZINC000219736196 359119696 /nfs/dbraw/zinc/11/96/96/359119696.db2.gz VIIFHSYFWXZVKO-UHFFFAOYSA-N 1 1 266.308 1.978 50 0 CDAAMO CC[N@@H+](C1CN(C(=O)c2ccco2)C1)C1CCOCC1 ZINC000257180408 359207356 /nfs/dbraw/zinc/20/73/56/359207356.db2.gz KSQTUBIBZCFKOU-UHFFFAOYSA-N 1 1 278.352 1.605 50 0 CDAAMO Cc1ccc(C[N@H+]2CCOCCNC(=O)CC2)s1 ZINC000257181628 359399294 /nfs/dbraw/zinc/39/92/94/359399294.db2.gz FTCMHHWNBJJBGD-UHFFFAOYSA-N 1 1 268.382 1.395 50 0 CDAAMO C[C@H](c1ccncn1)N(C)C(=O)C[N@@H+](C)C1CCCC1 ZINC000223153536 359403945 /nfs/dbraw/zinc/40/39/45/359403945.db2.gz UILDBPJOLLNSJG-GFCCVEGCSA-N 1 1 276.384 1.870 50 0 CDAAMO C[N@@H+]1C[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C1 ZINC000223637477 359441789 /nfs/dbraw/zinc/44/17/89/359441789.db2.gz LIHJQIOQJFDGTA-OKILXGFUSA-N 1 1 259.353 1.034 50 0 CDAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000257191788 359588369 /nfs/dbraw/zinc/58/83/69/359588369.db2.gz RINJSDFZKQWINA-ZDUSSCGKSA-N 1 1 299.440 1.816 50 0 CDAAMO Cc1nn(C)cc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000084044385 360101585 /nfs/dbraw/zinc/10/15/85/360101585.db2.gz CLBTZKUSNKLGDO-UHFFFAOYSA-N 1 1 284.363 1.821 50 0 CDAAMO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000084044385 360101587 /nfs/dbraw/zinc/10/15/87/360101587.db2.gz CLBTZKUSNKLGDO-UHFFFAOYSA-N 1 1 284.363 1.821 50 0 CDAAMO CCS(=O)(=O)N1CC(n2cc[nH+]c2C(C)C)C1 ZINC000409420071 360228317 /nfs/dbraw/zinc/22/83/17/360228317.db2.gz QPDFKNMTATYXAU-UHFFFAOYSA-N 1 1 257.359 1.213 50 0 CDAAMO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000126025709 360490058 /nfs/dbraw/zinc/49/00/58/360490058.db2.gz QQSQLIUCXRFAQI-IIAWOOMASA-N 1 1 293.455 1.707 50 0 CDAAMO Cc1cc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)n[nH]1 ZINC000011935244 360458734 /nfs/dbraw/zinc/45/87/34/360458734.db2.gz IPYHBUTYCAWDCK-HZPDHXFCSA-N 1 1 292.427 1.529 50 0 CDAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc(=O)[nH]1 ZINC000180285318 189248245 /nfs/dbraw/zinc/24/82/45/189248245.db2.gz ZSHVJXATQYMCPJ-LBPRGKRZSA-N 1 1 261.325 1.016 50 0 CDAAMO CC(C)[N@@H+](C)CCC(=O)NCCc1noc(C2CC2)n1 ZINC000299774180 200867605 /nfs/dbraw/zinc/86/76/05/200867605.db2.gz BWSHXEDODZOUTI-UHFFFAOYSA-N 1 1 280.372 1.336 50 0 CDAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)C1CC1 ZINC000189150293 361257750 /nfs/dbraw/zinc/25/77/50/361257750.db2.gz RCRFTSJBSAQOJU-WDEREUQCSA-N 1 1 260.403 1.189 50 0 CDAAMO C[C@@H](CN1CCOCC1)Nc1cc[nH+]cc1Cl ZINC000094195520 363937638 /nfs/dbraw/zinc/93/76/38/363937638.db2.gz QTYLFVMBAFYLPO-JTQLQIEISA-N 1 1 255.749 1.868 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000249693590 365191766 /nfs/dbraw/zinc/19/17/66/365191766.db2.gz ODFDPLPWLPUJLF-MJBXVCDLSA-N 1 1 266.385 1.498 50 0 CDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cn2cncn2)cc1 ZINC000089938517 366972627 /nfs/dbraw/zinc/97/26/27/366972627.db2.gz QUBVRPRODJLPCB-ZDUSSCGKSA-N 1 1 299.378 1.103 50 0 CDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cn2cncn2)cc1 ZINC000089938517 366972635 /nfs/dbraw/zinc/97/26/35/366972635.db2.gz QUBVRPRODJLPCB-ZDUSSCGKSA-N 1 1 299.378 1.103 50 0 CDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccc(Cl)cn1 ZINC000089938017 366973407 /nfs/dbraw/zinc/97/34/07/366973407.db2.gz YHNPLQHGHWASFC-NSHDSACASA-N 1 1 296.802 1.334 50 0 CDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccc(Cl)cn1 ZINC000089938017 366973412 /nfs/dbraw/zinc/97/34/12/366973412.db2.gz YHNPLQHGHWASFC-NSHDSACASA-N 1 1 296.802 1.334 50 0 CDAAMO CCCCOCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000089954802 366982601 /nfs/dbraw/zinc/98/26/01/366982601.db2.gz RTYOFXOCISMPOK-KBPBESRZSA-N 1 1 268.401 1.746 50 0 CDAAMO CNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000089937013 366970675 /nfs/dbraw/zinc/97/06/75/366970675.db2.gz SUFCIABMSSETBN-ZYHUDNBSSA-N 1 1 268.382 1.646 50 0 CDAAMO CNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000089937013 366970681 /nfs/dbraw/zinc/97/06/81/366970681.db2.gz SUFCIABMSSETBN-ZYHUDNBSSA-N 1 1 268.382 1.646 50 0 CDAAMO Cc1nccn1CCN(C)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000299782238 372758771 /nfs/dbraw/zinc/75/87/71/372758771.db2.gz XKFZUCOCUZQMAJ-LSDHHAIUSA-N 1 1 262.401 1.608 50 0 CDAAMO Cn1cc[nH+]c1CCNc1cc([C@@H]2CCOC2)ncn1 ZINC000299784827 372759174 /nfs/dbraw/zinc/75/91/74/372759174.db2.gz IBNBTCNFNQTUHZ-LLVKDONJSA-N 1 1 273.340 1.369 50 0 CDAAMO C1=CC[C@H](CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000093817401 374786347 /nfs/dbraw/zinc/78/63/47/374786347.db2.gz KWJQEXKWAWKWLI-HOTGVXAUSA-N 1 1 264.413 1.997 50 0 CDAAMO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1(CO)CCC1 ZINC000670471681 542012558 /nfs/dbraw/zinc/01/25/58/542012558.db2.gz OYGMJVYXLUYEAW-UHFFFAOYSA-N 1 1 297.420 1.685 50 0 CDAAMO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1(CO)CCC1 ZINC000670471681 542012560 /nfs/dbraw/zinc/01/25/60/542012560.db2.gz OYGMJVYXLUYEAW-UHFFFAOYSA-N 1 1 297.420 1.685 50 0 CDAAMO CN(C)C(=O)[C@H]1C[N@H+](CC2=CCCCC2)CCO1 ZINC000670467603 483059301 /nfs/dbraw/zinc/05/93/01/483059301.db2.gz VXVMZVSCFPVGBI-CYBMUJFWSA-N 1 1 252.358 1.276 50 0 CDAAMO CN(C)C(=O)[C@H]1C[N@@H+](CC2=CCCCC2)CCO1 ZINC000670467603 483059307 /nfs/dbraw/zinc/05/93/07/483059307.db2.gz VXVMZVSCFPVGBI-CYBMUJFWSA-N 1 1 252.358 1.276 50 0 CDAAMO C[NH+]1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000032125029 375890802 /nfs/dbraw/zinc/89/08/02/375890802.db2.gz COVWEXRLYXGISI-UHFFFAOYSA-N 1 1 257.337 1.415 50 0 CDAAMO COCC1(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000067432954 377073710 /nfs/dbraw/zinc/07/37/10/377073710.db2.gz ZBOWUFHWBFRXKZ-ZDUSSCGKSA-N 1 1 268.401 1.651 50 0 CDAAMO COc1ccc(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)cc1Cl ZINC000089382918 377842580 /nfs/dbraw/zinc/84/25/80/377842580.db2.gz BMXJUHBODLXTOK-CYBMUJFWSA-N 1 1 298.770 1.642 50 0 CDAAMO COc1ccc(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000089382918 377842583 /nfs/dbraw/zinc/84/25/83/377842583.db2.gz BMXJUHBODLXTOK-CYBMUJFWSA-N 1 1 298.770 1.642 50 0 CDAAMO c1nnc2c(N[C@@H]3CC[N@H+](C4CCCC4)C3)nccn12 ZINC000095404341 184967640 /nfs/dbraw/zinc/96/76/40/184967640.db2.gz KYGWGHVMFQFRMP-LLVKDONJSA-N 1 1 272.356 1.553 50 0 CDAAMO COC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000096424670 390515880 /nfs/dbraw/zinc/51/58/80/390515880.db2.gz YLELCLFYBOHMMP-ZFWWWQNUSA-N 1 1 294.395 1.570 50 0 CDAAMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000096424670 390515885 /nfs/dbraw/zinc/51/58/85/390515885.db2.gz YLELCLFYBOHMMP-ZFWWWQNUSA-N 1 1 294.395 1.570 50 0 CDAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)cc1 ZINC000097113963 390796303 /nfs/dbraw/zinc/79/63/03/390796303.db2.gz ZZDIYPAQGILOKW-MRXNPFEDSA-N 1 1 289.379 1.875 50 0 CDAAMO Cc1ccc2ncccc2c1C[N@@H+]1CCOC[C@H]1CO ZINC000097307799 390916790 /nfs/dbraw/zinc/91/67/90/390916790.db2.gz JWHRRFLSKVGOAW-CYBMUJFWSA-N 1 1 272.348 1.736 50 0 CDAAMO Cc1ccc2ncccc2c1C[N@H+]1CCOC[C@H]1CO ZINC000097307799 390916791 /nfs/dbraw/zinc/91/67/91/390916791.db2.gz JWHRRFLSKVGOAW-CYBMUJFWSA-N 1 1 272.348 1.736 50 0 CDAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc[nH]2)C1 ZINC000092400534 390920510 /nfs/dbraw/zinc/92/05/10/390920510.db2.gz UIFUJGYWAHLGKQ-CHWSQXEVSA-N 1 1 278.400 1.927 50 0 CDAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c[nH]cn2)C1 ZINC000092400534 390920511 /nfs/dbraw/zinc/92/05/11/390920511.db2.gz UIFUJGYWAHLGKQ-CHWSQXEVSA-N 1 1 278.400 1.927 50 0 CDAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c[nH]cn2)C1 ZINC000092400534 390920512 /nfs/dbraw/zinc/92/05/12/390920512.db2.gz UIFUJGYWAHLGKQ-CHWSQXEVSA-N 1 1 278.400 1.927 50 0 CDAAMO COCCCNC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245910216 390924903 /nfs/dbraw/zinc/92/49/03/390924903.db2.gz VWAYERBHOGOFSH-CHWSQXEVSA-N 1 1 286.441 1.499 50 0 CDAAMO Cc1n[nH]cc1C[N@H+](C)CC(C)(C)N1CCOCC1 ZINC000215355464 390993342 /nfs/dbraw/zinc/99/33/42/390993342.db2.gz JCIJRVAQACVGBP-UHFFFAOYSA-N 1 1 266.389 1.261 50 0 CDAAMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)NCC1CC1 ZINC000239722338 391328547 /nfs/dbraw/zinc/32/85/47/391328547.db2.gz CCFTYFPUTZRWPJ-MRXNPFEDSA-N 1 1 290.407 1.702 50 0 CDAAMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000239722338 391328549 /nfs/dbraw/zinc/32/85/49/391328549.db2.gz CCFTYFPUTZRWPJ-MRXNPFEDSA-N 1 1 290.407 1.702 50 0 CDAAMO CC(C)=C[C@@H]1[C@H](C(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000032873695 391509249 /nfs/dbraw/zinc/50/92/49/391509249.db2.gz WANYLEHNXMILSK-CHWSQXEVSA-N 1 1 250.386 1.999 50 0 CDAAMO CNc1nc(C[NH+]2CCC(c3nnc[nH]3)CC2)cs1 ZINC000243885670 131083448 /nfs/dbraw/zinc/08/34/48/131083448.db2.gz ABHNFVKBEQTDKO-UHFFFAOYSA-N 1 1 278.385 1.683 50 0 CDAAMO COCC[N@H+]1CCN([C@H](C)c2cccnc2)C[C@H]1C ZINC000252474735 131135321 /nfs/dbraw/zinc/13/53/21/131135321.db2.gz LDTSZYQBPFAAQB-ZIAGYGMSSA-N 1 1 263.385 1.795 50 0 CDAAMO CCn1nccc1CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000252515618 131135944 /nfs/dbraw/zinc/13/59/44/131135944.db2.gz MFMCFZYAMZAUFB-ZIAGYGMSSA-N 1 1 276.384 1.189 50 0 CDAAMO CCn1nccc1CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000252515618 131135947 /nfs/dbraw/zinc/13/59/47/131135947.db2.gz MFMCFZYAMZAUFB-ZIAGYGMSSA-N 1 1 276.384 1.189 50 0 CDAAMO CC(C)OCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000095996139 393157131 /nfs/dbraw/zinc/15/71/31/393157131.db2.gz QHTCHXFIBBHPMS-CABCVRRESA-N 1 1 297.443 1.927 50 0 CDAAMO O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178296150 140003957 /nfs/dbraw/zinc/00/39/57/140003957.db2.gz LOMRIGMMSSFTBF-RRFJBIMHSA-N 1 1 292.423 1.694 50 0 CDAAMO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000097101720 397966996 /nfs/dbraw/zinc/96/69/96/397966996.db2.gz ZHRWPQZEQFHREI-RYUDHWBXSA-N 1 1 261.329 1.848 50 0 CDAAMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCC(F)(F)F ZINC000095440457 147113786 /nfs/dbraw/zinc/11/37/86/147113786.db2.gz PDHJRNLSIOXPIL-DTORHVGOSA-N 1 1 252.280 1.880 50 0 CDAAMO COc1ccc(C[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000005526760 170108444 /nfs/dbraw/zinc/10/84/44/170108444.db2.gz NNOLFIOQMYOVJX-GFCCVEGCSA-N 1 1 251.326 1.661 50 0 CDAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(N)=O ZINC000007727207 170299379 /nfs/dbraw/zinc/29/93/79/170299379.db2.gz PCFANYQUUOYZAM-UHFFFAOYSA-N 1 1 287.157 1.245 50 0 CDAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(N)=O ZINC000007727207 170299381 /nfs/dbraw/zinc/29/93/81/170299381.db2.gz PCFANYQUUOYZAM-UHFFFAOYSA-N 1 1 287.157 1.245 50 0 CDAAMO Cc1cc(C)c(OCCOCC[NH2+]CCN)c(Cl)c1 ZINC000022079114 171352609 /nfs/dbraw/zinc/35/26/09/171352609.db2.gz AOBBPBABUIROGU-UHFFFAOYSA-N 1 1 286.803 1.901 50 0 CDAAMO C[N@@H+]1CCN(C(=O)c2cn[nH]c2)C[C@H]1Cc1ccccc1 ZINC000285690860 196368337 /nfs/dbraw/zinc/36/83/37/196368337.db2.gz AQOKGPPZPMUCLV-OAHLLOKOSA-N 1 1 284.363 1.409 50 0 CDAAMO C[N@H+]1CCN(C(=O)c2cn[nH]c2)C[C@H]1Cc1ccccc1 ZINC000285690860 196368338 /nfs/dbraw/zinc/36/83/38/196368338.db2.gz AQOKGPPZPMUCLV-OAHLLOKOSA-N 1 1 284.363 1.409 50 0 CDAAMO CCOC(=O)[C@H]([NH3+])C(C(F)(F)F)C(F)(F)F ZINC000064370268 175691288 /nfs/dbraw/zinc/69/12/88/175691288.db2.gz PGOSQXOLEQZPBM-GSVOUGTGSA-N 1 1 253.142 1.618 50 0 CDAAMO CN1C[C@]2(CCC[N@@H+](Cc3cccnc3N)CC2)OC1=O ZINC000072141665 176323648 /nfs/dbraw/zinc/32/36/48/176323648.db2.gz IIJDVPWREHGHAO-OAHLLOKOSA-N 1 1 290.367 1.471 50 0 CDAAMO CCn1cc(C[N@@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)cn1 ZINC000077536791 177278641 /nfs/dbraw/zinc/27/86/41/177278641.db2.gz INHBYKSGVOPMGW-LSDHHAIUSA-N 1 1 278.400 1.496 50 0 CDAAMO COC(=O)c1ccc(NC(=O)Cn2cc[nH+]c2C)cc1 ZINC000029937695 260139630 /nfs/dbraw/zinc/13/96/30/260139630.db2.gz XMECMFBQZVCRSR-UHFFFAOYSA-N 1 1 273.292 1.617 50 0 CDAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000218951665 262348185 /nfs/dbraw/zinc/34/81/85/262348185.db2.gz FCYDYYULCHSUFE-ZDUSSCGKSA-N 1 1 299.378 1.642 50 0 CDAAMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2)CC1 ZINC000055352602 277095809 /nfs/dbraw/zinc/09/58/09/277095809.db2.gz ZIHVGIIPGAVKNI-CQSZACIVSA-N 1 1 259.353 1.187 50 0 CDAAMO CNC(=O)C[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095529294 277228309 /nfs/dbraw/zinc/22/83/09/277228309.db2.gz BPGRSNBIAKZDEA-GFCCVEGCSA-N 1 1 262.353 1.306 50 0 CDAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)COC ZINC000088615026 281160237 /nfs/dbraw/zinc/16/02/37/281160237.db2.gz KKWUYLCGNDRLEO-GJZGRUSLSA-N 1 1 278.396 1.724 50 0 CDAAMO C[C@H](O)C[N@H+]1CCN([C@@H](C)c2cccnc2)C[C@H]1C ZINC000252475109 290116216 /nfs/dbraw/zinc/11/62/16/290116216.db2.gz SRZSJHATCWPYQU-RDBSUJKOSA-N 1 1 263.385 1.530 50 0 CDAAMO COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C[C@]31CC[N@H+](C)C2 ZINC000000487871 295278487 /nfs/dbraw/zinc/27/84/87/295278487.db2.gz ASUTZQLVASHGKV-SUYBPPKGSA-N 1 1 287.359 1.850 50 0 biogenic,in-vitro CDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1Nc1nnc(C)c2ccccc21 ZINC000534646669 328330547 /nfs/dbraw/zinc/33/05/47/328330547.db2.gz PXVXPEHVSPMHOK-KBPBESRZSA-N 1 1 272.352 1.101 50 0 CDAAMO CCc1nc(C)c(CN2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)[nH]1 ZINC001772704173 1159439867 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1.258 50 0 CDAAMO Cc1nc(C)c(C[N@H+]2CCN(C)[C@@H](CCO)C2)s1 ZINC000020920515 171279963 /nfs/dbraw/zinc/27/99/63/171279963.db2.gz LTGUWMFENGJQDO-LBPRGKRZSA-N 1 1 269.414 1.258 50 0 CDAAMO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@@H](CCO)C2)s1 ZINC000020920515 171279965 /nfs/dbraw/zinc/27/99/65/171279965.db2.gz LTGUWMFENGJQDO-LBPRGKRZSA-N 1 1 269.414 1.258 50 0 CDAAMO COc1ccccc1OC1C[NH+](C[C@H]2CCOC2)C1 ZINC000072165733 176331075 /nfs/dbraw/zinc/33/10/75/176331075.db2.gz BLCZTXYAJVEIFR-GFCCVEGCSA-N 1 1 263.337 1.795 50 0 CDAAMO Cc1snnc1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254296 176350845 /nfs/dbraw/zinc/35/08/45/176350845.db2.gz FVUXFINENXFVGU-UHFFFAOYSA-N 1 1 280.397 1.404 50 0 CDAAMO O=C(Cc1cccc(F)c1)NCCC[NH+]1CCOCC1 ZINC000019934978 260115242 /nfs/dbraw/zinc/11/52/42/260115242.db2.gz XHSFJYNVQOROLM-UHFFFAOYSA-N 1 1 280.343 1.207 50 0 CDAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000003683517 276319264 /nfs/dbraw/zinc/31/92/64/276319264.db2.gz PPCBIZLRRZTOBD-CQSZACIVSA-N 1 1 281.444 1.661 50 0 CDAAMO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)cnn1C(C)(C)C ZINC000195129353 280071107 /nfs/dbraw/zinc/07/11/07/280071107.db2.gz ZAWJUIFXMMOGMD-UHFFFAOYSA-N 1 1 290.411 1.867 50 0 CDAAMO O[C@@H](COC1C2CC3CC(C2)CC1C3)C[NH+]1CCOCC1 ZINC000019286026 304834127 /nfs/dbraw/zinc/83/41/27/304834127.db2.gz GWNPRPOEZOJFHO-OBYDGYHJSA-N 1 1 295.423 1.521 50 0 CDAAMO C[C@H](C(=O)NCCn1cncn1)[N@@H+](C)C1CCCCC1 ZINC000534586233 328315585 /nfs/dbraw/zinc/31/55/85/328315585.db2.gz QNJMALZFNCPFMX-GFCCVEGCSA-N 1 1 279.388 1.047 50 0 CDAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1cncnc1 ZINC000534645471 328330518 /nfs/dbraw/zinc/33/05/18/328330518.db2.gz ZTOGTOAONGJPLI-CYBMUJFWSA-N 1 1 288.395 1.861 50 0 CDAAMO CCn1ncc(CNC(=O)[C@H](C)n2cc[nH+]c2C)c1C ZINC000534631167 328331448 /nfs/dbraw/zinc/33/14/48/328331448.db2.gz SOKDQXFOSZHLQH-NSHDSACASA-N 1 1 275.356 1.594 50 0 CDAAMO Cc1[nH]nc(CCC(=O)NC2(C)CC[NH2+]CC2)c1C ZINC000534639159 328334870 /nfs/dbraw/zinc/33/48/70/328334870.db2.gz WYBOETSAOIAREY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/24/72/00/483247200.db2.gz GWOYZULSCDQUQW-ZFWWWQNUSA-N 1 1 290.411 1.908 50 0 CDAAMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)Cc1ncccc1C ZINC000821477577 1161924243 /nfs/dbraw/zinc/92/42/43/1161924243.db2.gz ITOMWSWGAGDSGY-LBPRGKRZSA-N 1 1 272.352 1.642 50 0 CDAAMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)CC1CCCC1 ZINC000178337726 535490720 /nfs/dbraw/zinc/49/07/20/535490720.db2.gz BHICFHPYEBEYEQ-CQSZACIVSA-N 1 1 288.457 1.970 50 0 CDAAMO CSCCC(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000952976166 617231937 /nfs/dbraw/zinc/23/19/37/617231937.db2.gz LLGDDUMAIMXOJL-CYBMUJFWSA-N 1 1 288.457 1.291 50 0 CDAAMO CC[C@@H](C(=O)NC1(COC)CCCC1)[N@@H+](C)CC ZINC000952985132 615379752 /nfs/dbraw/zinc/37/97/52/615379752.db2.gz CGDSLDGATOGCQD-LBPRGKRZSA-N 1 1 256.390 1.792 50 0 CDAAMO CCOCC[NH2+][C@H](c1cncn1C)c1ccc(C)nc1 ZINC000888098918 617762574 /nfs/dbraw/zinc/76/25/74/617762574.db2.gz RBPIZONQSIITHW-HNNXBMFYSA-N 1 1 274.368 1.839 50 0 CDAAMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)[nH]c1C ZINC000952994894 679870612 /nfs/dbraw/zinc/87/06/12/679870612.db2.gz VZYDQTXMAVRPQY-KGLIPLIRSA-N 1 1 289.383 1.421 50 0 CDAAMO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cccn2)[nH]c1C ZINC000952994894 679870614 /nfs/dbraw/zinc/87/06/14/679870614.db2.gz VZYDQTXMAVRPQY-KGLIPLIRSA-N 1 1 289.383 1.421 50 0 CDAAMO C[C@H]1CCCCN1C1CN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000952990107 682145154 /nfs/dbraw/zinc/14/51/54/682145154.db2.gz GBQQOBJCIXULPV-HNNXBMFYSA-N 1 1 293.455 1.948 50 0 CDAAMO C[N@H+](Cc1c[nH]nc1C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000071764734 682313226 /nfs/dbraw/zinc/31/32/26/682313226.db2.gz MVFAQRVDBVIANF-UHFFFAOYSA-N 1 1 294.399 1.849 50 0 CDAAMO C[N@@H+](Cc1c[nH]nc1C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000071764734 682313228 /nfs/dbraw/zinc/31/32/28/682313228.db2.gz MVFAQRVDBVIANF-UHFFFAOYSA-N 1 1 294.399 1.849 50 0 CDAAMO CN(C(=O)Cn1ccnc1-c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000095392445 682367070 /nfs/dbraw/zinc/36/70/70/682367070.db2.gz UYRABQKNODGETM-HNNXBMFYSA-N 1 1 298.390 1.713 50 0 CDAAMO Cc1cnc(NCCC[N@H+]2CCC[C@H](O)C2)nc1N(C)C ZINC000952964599 682793238 /nfs/dbraw/zinc/79/32/38/682793238.db2.gz MQEWJRIIXYHQEM-ZDUSSCGKSA-N 1 1 293.415 1.110 50 0 CDAAMO CC1(C)CC(O)([C@H](N)c2nccs2)CC(C)(C)[NH2+]1 ZINC000958528873 682811649 /nfs/dbraw/zinc/81/16/49/682811649.db2.gz XMRXCQZCRUCHMQ-SECBINFHSA-N 1 1 269.414 1.815 50 0 CDAAMO O[C@@H](C[NH+]1CCOCC1)c1ccc(-c2cncnc2)cc1 ZINC000032576227 683091972 /nfs/dbraw/zinc/09/19/72/683091972.db2.gz NOSUSJMJIWMLAK-INIZCTEOSA-N 1 1 285.347 1.509 50 0 CDAAMO [NH3+][C@H](Cc1ccccc1)c1nnc(NC[C@@H]2CCCO2)o1 ZINC001772705939 1159440501 /nfs/dbraw/zinc/44/05/01/1159440501.db2.gz UFGRQJCENQCDOU-QWHCGFSZSA-N 1 1 288.351 1.903 50 0 CDAAMO CC[C@H](C(=O)NCCCn1ccnc1)[N@@H+](C)CC ZINC000822555094 1161928732 /nfs/dbraw/zinc/92/87/32/1161928732.db2.gz QBHMKZMZURSTOH-GFCCVEGCSA-N 1 1 252.362 1.120 50 0 CDAAMO O=C([C@H]1CCOC1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000066916685 1171410305 /nfs/dbraw/zinc/41/03/05/1171410305.db2.gz KJBXEBOQCPYLSJ-ZDUSSCGKSA-N 1 1 294.420 1.819 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@@H+](CCCn3cccc3)C[C@@H]2O)on1 ZINC001704302806 1177680311 /nfs/dbraw/zinc/68/03/11/1177680311.db2.gz CVVKKIHMRCZZPD-ZBFHGGJFSA-N 1 1 289.379 1.710 50 0 CDAAMO CO[C@H]1CN(c2nc(N)cc[nH+]2)C[C@H]1Cc1cc(C)no1 ZINC001704326212 1177689217 /nfs/dbraw/zinc/68/92/17/1177689217.db2.gz XZYFOWSOZRSREK-PWSUYJOCSA-N 1 1 289.339 1.049 50 0 CDAAMO Cc1n[nH]c(C)c1CC[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC001704351496 1177699393 /nfs/dbraw/zinc/69/93/93/1177699393.db2.gz YEGWRRZZNUHTOE-CYBMUJFWSA-N 1 1 292.427 1.948 50 0 CDAAMO COCCn1ccnc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001704357569 1177700764 /nfs/dbraw/zinc/70/07/64/1177700764.db2.gz URBDVKWOABWQMC-ZDUSSCGKSA-N 1 1 289.383 1.632 50 0 CDAAMO COCCn1ccnc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001704357569 1177700766 /nfs/dbraw/zinc/70/07/66/1177700766.db2.gz URBDVKWOABWQMC-ZDUSSCGKSA-N 1 1 289.383 1.632 50 0 CDAAMO COCCn1ccnc1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001704357569 1177700768 /nfs/dbraw/zinc/70/07/68/1177700768.db2.gz URBDVKWOABWQMC-ZDUSSCGKSA-N 1 1 289.383 1.632 50 0 CDAAMO COc1cncc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000096406656 722009993 /nfs/dbraw/zinc/00/99/93/722009993.db2.gz DRNPWFUTHOADKJ-UHFFFAOYSA-N 1 1 299.378 1.245 50 0 CDAAMO OC[C@H]1CCC[N@@H+](CCNc2ncccc2F)C1 ZINC000952870176 910421689 /nfs/dbraw/zinc/42/16/89/910421689.db2.gz UGEBOSZQWGOFCQ-NSHDSACASA-N 1 1 253.321 1.337 50 0 CDAAMO Cc1[nH]c2c([nH+]1)CCN(Cc1nnc(C(C)C)o1)C2 ZINC000822279845 925614840 /nfs/dbraw/zinc/61/48/40/925614840.db2.gz ZBNQVAGMLGDVOR-UHFFFAOYSA-N 1 1 261.329 1.783 50 0 CDAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC000823820918 925731262 /nfs/dbraw/zinc/73/12/62/925731262.db2.gz FVJIMFZNKKIDPQ-JTQLQIEISA-N 1 1 253.371 1.410 50 0 CDAAMO COCC(=O)Nc1cc(NC(=O)C[NH+](C)C)ccc1C ZINC000824313195 925814672 /nfs/dbraw/zinc/81/46/72/925814672.db2.gz BLCSYRUKEWIDHO-UHFFFAOYSA-N 1 1 279.340 1.080 50 0 CDAAMO COCCn1ccnc1CN1CCc2[nH+]c(C)[nH]c2C1 ZINC000824466025 925823031 /nfs/dbraw/zinc/82/30/31/925823031.db2.gz BWZVBIUGHJVSKT-UHFFFAOYSA-N 1 1 275.356 1.119 50 0 CDAAMO CS(=O)(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000824864522 925837676 /nfs/dbraw/zinc/83/76/76/925837676.db2.gz YSQAKKDVKSBQFP-ZDUSSCGKSA-N 1 1 283.397 1.158 50 0 CDAAMO C[N@H+]1CCCC[C@H]1CCNc1cc(NCCO)ncn1 ZINC000828767796 926179562 /nfs/dbraw/zinc/17/95/62/926179562.db2.gz QRNCIFMRGRYCGT-LBPRGKRZSA-N 1 1 279.388 1.167 50 0 CDAAMO CC[N@H+]1CCC[C@@H](CNc2nc(N)nc3n[nH]cc32)C1 ZINC000200527836 929260600 /nfs/dbraw/zinc/26/06/00/929260600.db2.gz RDPUNJZLNYKNIS-VIFPVBQESA-N 1 1 275.360 1.079 50 0 CDAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C3OCCO3)cc2)C1 ZINC000585117763 930984858 /nfs/dbraw/zinc/98/48/58/930984858.db2.gz WAPQOACLQORLHY-CYBMUJFWSA-N 1 1 276.336 1.039 50 0 CDAAMO NC(=O)CC[N@@H+](CCO)CC12CC3CC(CC(C3)C1)C2 ZINC001529120901 968986680 /nfs/dbraw/zinc/98/66/80/968986680.db2.gz TXLNIBHMABUXSB-UHFFFAOYSA-N 1 1 280.412 1.373 50 0 CDAAMO CCc1csc(CNc2cc3nncn3c(N)[nH+]2)n1 ZINC001529173172 969004885 /nfs/dbraw/zinc/00/48/85/969004885.db2.gz NCAUZFPFNPJJFY-UHFFFAOYSA-N 1 1 275.341 1.338 50 0 CDAAMO CCc1nn(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001529187266 969007631 /nfs/dbraw/zinc/00/76/31/969007631.db2.gz QSTITOGUCQUVQE-NSHDSACASA-N 1 1 250.346 1.324 50 0 CDAAMO CCc1nn(C)c(NC(=O)[C@@H]2CCC[N@H+]2C)c1C ZINC001529187266 969007638 /nfs/dbraw/zinc/00/76/38/969007638.db2.gz QSTITOGUCQUVQE-NSHDSACASA-N 1 1 250.346 1.324 50 0 CDAAMO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccncc1O ZINC001506431464 975162007 /nfs/dbraw/zinc/16/20/07/975162007.db2.gz LIUIDTXPFCEWRQ-UHFFFAOYSA-N 1 1 277.368 1.734 50 0 CDAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1ccncc1O ZINC001506431464 975162008 /nfs/dbraw/zinc/16/20/08/975162008.db2.gz LIUIDTXPFCEWRQ-UHFFFAOYSA-N 1 1 277.368 1.734 50 0 CDAAMO C[NH+]1CCN(C[C@H]2CCCN(c3ncccc3F)C2)CC1 ZINC000084485939 342450785 /nfs/dbraw/zinc/45/07/85/342450785.db2.gz LJYARSWZQDFWFN-CQSZACIVSA-N 1 1 292.402 1.685 50 0 CDAAMO Cc1ncsc1CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000096490084 230382259 /nfs/dbraw/zinc/38/22/59/230382259.db2.gz JKENYPXAEQBNHO-ZIAGYGMSSA-N 1 1 295.452 1.873 50 0 CDAAMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000096490084 230382260 /nfs/dbraw/zinc/38/22/60/230382260.db2.gz JKENYPXAEQBNHO-ZIAGYGMSSA-N 1 1 295.452 1.873 50 0 CDAAMO Cc1ncsc1C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000096490084 230382261 /nfs/dbraw/zinc/38/22/61/230382261.db2.gz JKENYPXAEQBNHO-ZIAGYGMSSA-N 1 1 295.452 1.873 50 0 CDAAMO CC(C)(C)OC(=O)NCC[N@H+]1CCC12CCOCC2 ZINC000241657615 361753648 /nfs/dbraw/zinc/75/36/48/361753648.db2.gz PXTCJSOLDFKOOD-UHFFFAOYSA-N 1 1 270.373 1.766 50 0 CDAAMO CCn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C)cn1 ZINC000089306113 539087448 /nfs/dbraw/zinc/08/74/48/539087448.db2.gz MWQMLALRYKETNU-SNVBAGLBSA-N 1 1 251.334 1.071 50 0 CDAAMO CCn1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000089306113 539087449 /nfs/dbraw/zinc/08/74/49/539087449.db2.gz MWQMLALRYKETNU-SNVBAGLBSA-N 1 1 251.334 1.071 50 0 CDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cccs1 ZINC000089938155 539087578 /nfs/dbraw/zinc/08/75/78/539087578.db2.gz PNEPJPSUTARHMT-NSHDSACASA-N 1 1 267.398 1.636 50 0 CDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cccs1 ZINC000089938155 539087579 /nfs/dbraw/zinc/08/75/79/539087579.db2.gz PNEPJPSUTARHMT-NSHDSACASA-N 1 1 267.398 1.636 50 0 CDAAMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000244641228 361854935 /nfs/dbraw/zinc/85/49/35/361854935.db2.gz GLRKDMCPNCSGNO-LLVKDONJSA-N 1 1 290.367 1.815 50 0 CDAAMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000244641228 361854936 /nfs/dbraw/zinc/85/49/36/361854936.db2.gz GLRKDMCPNCSGNO-LLVKDONJSA-N 1 1 290.367 1.815 50 0 CDAAMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C)[C@H]1C ZINC000097010469 185151265 /nfs/dbraw/zinc/15/12/65/185151265.db2.gz FZZCPJYZNVCULW-QWHCGFSZSA-N 1 1 271.405 1.395 50 0 CDAAMO NC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000585141359 342219092 /nfs/dbraw/zinc/21/90/92/342219092.db2.gz ULHGKWXZOONNPH-UONOGXRCSA-N 1 1 273.380 1.320 50 0 CDAAMO C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)CCC(C)(C)C ZINC000107142612 349664672 /nfs/dbraw/zinc/66/46/72/349664672.db2.gz VEDSYNSMJWCTKW-GHMZBOCLSA-N 1 1 262.419 1.292 50 0 CDAAMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](O)CC(C)(C)C2)CC[N@H+]1C ZINC000585131467 362057854 /nfs/dbraw/zinc/05/78/54/362057854.db2.gz WXWAJKNRJJKRAQ-MELADBBJSA-N 1 1 282.428 1.726 50 0 CDAAMO COc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000101125206 362096820 /nfs/dbraw/zinc/09/68/20/362096820.db2.gz CCGHVAGELGVBQD-MGPQQGTHSA-N 1 1 295.379 1.544 50 0 CDAAMO CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1SC ZINC000187081966 362336685 /nfs/dbraw/zinc/33/66/85/362336685.db2.gz PDLSUHLGGJVULI-UHFFFAOYSA-N 1 1 288.438 1.639 50 0 CDAAMO CCc1nnc(CN(C)C[C@@H]2CC[N@H+](CC)C2)o1 ZINC000252481351 362385561 /nfs/dbraw/zinc/38/55/61/362385561.db2.gz CJOBCQXLDYKQIW-NSHDSACASA-N 1 1 252.362 1.406 50 0 CDAAMO Cc1ccc(-n2cc(NC(=O)C[NH+](C)C)cn2)c(C)c1 ZINC000191404185 362427349 /nfs/dbraw/zinc/42/73/49/362427349.db2.gz KUWJKVPEPRWFMF-UHFFFAOYSA-N 1 1 272.352 1.989 50 0 CDAAMO CC(C)[C@H](O)C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262402 345872462 /nfs/dbraw/zinc/87/24/62/345872462.db2.gz AFSQHLDAHUVWHC-CQSZACIVSA-N 1 1 262.353 1.482 50 0 CDAAMO CC(C)[C@H](O)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262402 345872465 /nfs/dbraw/zinc/87/24/65/345872465.db2.gz AFSQHLDAHUVWHC-CQSZACIVSA-N 1 1 262.353 1.482 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000085395464 179049190 /nfs/dbraw/zinc/04/91/90/179049190.db2.gz KXMINCJKCWLNCF-UHFFFAOYSA-N 1 1 258.362 1.310 50 0 CDAAMO CCCN1CCC[N@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000193129362 362862643 /nfs/dbraw/zinc/86/26/43/362862643.db2.gz AUACDHMSYNOXHN-HNNXBMFYSA-N 1 1 284.400 1.474 50 0 CDAAMO CCCN1CCC[N@@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000193129362 362862646 /nfs/dbraw/zinc/86/26/46/362862646.db2.gz AUACDHMSYNOXHN-HNNXBMFYSA-N 1 1 284.400 1.474 50 0 CDAAMO CO[C@H](C)C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584887570 349345670 /nfs/dbraw/zinc/34/56/70/349345670.db2.gz SERNEQXSTYCCHN-CYBMUJFWSA-N 1 1 268.401 1.888 50 0 CDAAMO C[N@H+]1CCN(Cc2cccc(F)c2F)C[C@H]1CCO ZINC000104486509 186007820 /nfs/dbraw/zinc/00/78/20/186007820.db2.gz LYONPMWCRZCWSQ-GFCCVEGCSA-N 1 1 270.323 1.463 50 0 CDAAMO COCC[N@H+]1CC[C@@H](CNc2ncnc(C)c2C)C1 ZINC000091526567 180178635 /nfs/dbraw/zinc/17/86/35/180178635.db2.gz FNQGJCIOAKTPOQ-ZDUSSCGKSA-N 1 1 264.373 1.474 50 0 CDAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](CCC(N)=O)C2)c1 ZINC000091663707 180220730 /nfs/dbraw/zinc/22/07/30/180220730.db2.gz OLMOYPZYRWHIAB-CYBMUJFWSA-N 1 1 290.363 1.465 50 0 CDAAMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000092378759 180372204 /nfs/dbraw/zinc/37/22/04/180372204.db2.gz NZQPULGHDJVNOA-NSHDSACASA-N 1 1 296.392 1.765 50 0 CDAAMO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000065383661 362967712 /nfs/dbraw/zinc/96/77/12/362967712.db2.gz JCWHFWSTRDMDFF-HNNXBMFYSA-N 1 1 257.337 1.812 50 0 CDAAMO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000065383661 362967713 /nfs/dbraw/zinc/96/77/13/362967713.db2.gz 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ZINC000091908381 180284549 /nfs/dbraw/zinc/28/45/49/180284549.db2.gz SDITWYPNWNRDDK-CYBMUJFWSA-N 1 1 278.400 1.467 50 0 CDAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(C)n2)C1 ZINC000092020226 180307468 /nfs/dbraw/zinc/30/74/68/180307468.db2.gz XYZWFVANDPUIEV-GOEBONIOSA-N 1 1 273.380 1.833 50 0 CDAAMO Cn1cc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)cn1 ZINC000092062078 180315584 /nfs/dbraw/zinc/31/55/84/180315584.db2.gz MZJCEBVRVJDOHZ-OAHLLOKOSA-N 1 1 263.385 1.795 50 0 CDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](CCO)C1 ZINC000106838816 186138470 /nfs/dbraw/zinc/13/84/70/186138470.db2.gz QQZVQCZLVQURQO-GJZGRUSLSA-N 1 1 297.443 1.665 50 0 CDAAMO C[C@H](O)C1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000106850667 186141590 /nfs/dbraw/zinc/14/15/90/186141590.db2.gz GJWGELOMVZYFSU-KCQAQPDRSA-N 1 1 282.428 1.774 50 0 CDAAMO [NH3+][C@H]1CCOc2c(Br)cccc2C1=O ZINC000062707753 366231233 /nfs/dbraw/zinc/23/12/33/366231233.db2.gz MFRHCKNGSNNQJK-QMMMGPOBSA-N 1 1 256.099 1.742 50 0 CDAAMO COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000000490121 355913898 /nfs/dbraw/zinc/91/38/98/355913898.db2.gz OROGSEYTTFOCAN-HXHAXSGFSA-N 1 1 299.370 1.501 50 0 in-vitro CDAAMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)[O-] ZINC000299738881 356263897 /nfs/dbraw/zinc/26/38/97/356263897.db2.gz HUGSHXNMLRGPAF-DZGCQCFKSA-N 1 1 276.380 1.913 50 0 CDAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)[O-] ZINC000299738881 356263900 /nfs/dbraw/zinc/26/39/00/356263900.db2.gz HUGSHXNMLRGPAF-DZGCQCFKSA-N 1 1 276.380 1.913 50 0 CDAAMO C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CC(=O)[O-] ZINC000299738881 356263906 /nfs/dbraw/zinc/26/39/06/356263906.db2.gz HUGSHXNMLRGPAF-DZGCQCFKSA-N 1 1 276.380 1.913 50 0 CDAAMO C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CC(=O)[O-] ZINC000299738881 356263909 /nfs/dbraw/zinc/26/39/09/356263909.db2.gz HUGSHXNMLRGPAF-DZGCQCFKSA-N 1 1 276.380 1.913 50 0 CDAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H](C)O1 ZINC000014359601 356386162 /nfs/dbraw/zinc/38/61/62/356386162.db2.gz SMXAAYNAUFATPY-HZSPNIEDSA-N 1 1 265.353 1.536 50 0 CDAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H](C)O1 ZINC000014359601 356386163 /nfs/dbraw/zinc/38/61/63/356386163.db2.gz SMXAAYNAUFATPY-HZSPNIEDSA-N 1 1 265.353 1.536 50 0 CDAAMO C[NH+]1CCN(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000015934556 356427648 /nfs/dbraw/zinc/42/76/48/356427648.db2.gz QZOTZCXCGNODFX-UHFFFAOYSA-N 1 1 252.293 1.110 50 0 CDAAMO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](C)CC1 ZINC000019371541 356482997 /nfs/dbraw/zinc/48/29/97/356482997.db2.gz HORWLJANDHGBBV-ZDUSSCGKSA-N 1 1 273.380 1.212 50 0 CDAAMO CCc1ccc(OCCOCC[NH2+]CCN)cc1 ZINC000019772475 356501086 /nfs/dbraw/zinc/50/10/86/356501086.db2.gz RYRJCGNNYCCCOX-UHFFFAOYSA-N 1 1 252.358 1.193 50 0 CDAAMO C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019774146 356502108 /nfs/dbraw/zinc/50/21/08/356502108.db2.gz KRDOHUGSALCVFQ-MRXNPFEDSA-N 1 1 259.397 1.903 50 0 CDAAMO CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000019774146 356502111 /nfs/dbraw/zinc/50/21/11/356502111.db2.gz KRDOHUGSALCVFQ-MRXNPFEDSA-N 1 1 259.397 1.903 50 0 CDAAMO Cc1csc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)n1 ZINC000541651375 356594450 /nfs/dbraw/zinc/59/44/50/356594450.db2.gz ORRYYWKZISFDFL-UWVGGRQHSA-N 1 1 253.371 1.723 50 0 CDAAMO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000025234964 356669672 /nfs/dbraw/zinc/66/96/72/356669672.db2.gz DZQQXPKJNSARFP-AWEZNQCLSA-N 1 1 294.395 1.191 50 0 CDAAMO Cc1cccc(OC[C@@H](O)C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000025234964 356669676 /nfs/dbraw/zinc/66/96/76/356669676.db2.gz DZQQXPKJNSARFP-AWEZNQCLSA-N 1 1 294.395 1.191 50 0 CDAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000029596934 356739279 /nfs/dbraw/zinc/73/92/79/356739279.db2.gz GZBKMBYSLNYQHC-SNVBAGLBSA-N 1 1 250.346 1.399 50 0 CDAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000029596934 356739284 /nfs/dbraw/zinc/73/92/84/356739284.db2.gz GZBKMBYSLNYQHC-SNVBAGLBSA-N 1 1 250.346 1.399 50 0 CDAAMO c1n[nH]cc1CCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000032498400 356780519 /nfs/dbraw/zinc/78/05/19/356780519.db2.gz RXJPXKFSYLTAKJ-INIZCTEOSA-N 1 1 292.427 1.529 50 0 CDAAMO COC(=O)[C@H]([NH3+])CCCNC(=O)OCc1ccccc1 ZINC000034199491 356810662 /nfs/dbraw/zinc/81/06/62/356810662.db2.gz BJNJTVSXZUTHRA-GFCCVEGCSA-N 1 1 280.324 1.193 50 0 CDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNc1ncnc2nc[nH]c21 ZINC000032519382 356781650 /nfs/dbraw/zinc/78/16/50/356781650.db2.gz GBEXVQBTQQUTKD-CYBMUJFWSA-N 1 1 294.362 1.822 50 0 CDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000032519382 356781654 /nfs/dbraw/zinc/78/16/54/356781654.db2.gz GBEXVQBTQQUTKD-CYBMUJFWSA-N 1 1 294.362 1.822 50 0 CDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000032519382 356781659 /nfs/dbraw/zinc/78/16/59/356781659.db2.gz GBEXVQBTQQUTKD-CYBMUJFWSA-N 1 1 294.362 1.822 50 0 CDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CC(n2cccn2)C1 ZINC000065399231 357537816 /nfs/dbraw/zinc/53/78/16/357537816.db2.gz DGHADBNZFZZICO-ZDUSSCGKSA-N 1 1 276.384 1.531 50 0 CDAAMO CCN(C(=O)CC[N@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000065530064 357548121 /nfs/dbraw/zinc/54/81/21/357548121.db2.gz GCHCUINVZUBOGU-OAHLLOKOSA-N 1 1 276.380 1.886 50 0 CDAAMO Nc1nc(N2CCCCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426387348 283278114 /nfs/dbraw/zinc/27/81/14/283278114.db2.gz WPDNANFOWLVJIY-NSHDSACASA-N 1 1 262.357 1.773 50 0 CDAAMO CCC[C@H](C)C[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000097235514 358050521 /nfs/dbraw/zinc/05/05/21/358050521.db2.gz ZJXKONBRHZRZMI-RYUDHWBXSA-N 1 1 262.419 1.436 50 0 CDAAMO O=S(=O)(Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247510299 358551288 /nfs/dbraw/zinc/55/12/88/358551288.db2.gz PJCXBWFHDXPOAN-AWEZNQCLSA-N 1 1 280.393 1.296 50 0 CDAAMO CCN1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@@H](C)C1 ZINC000195563330 358565550 /nfs/dbraw/zinc/56/55/50/358565550.db2.gz PHRYXUSUVCPLHH-UONOGXRCSA-N 1 1 298.427 1.276 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@H]2CO)cc2c1OCO2 ZINC000023280125 358655807 /nfs/dbraw/zinc/65/58/07/358655807.db2.gz BSHNYWYYKXRJGT-NSHDSACASA-N 1 1 265.309 1.381 50 0 CDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C)no1)C2 ZINC000095363398 358685307 /nfs/dbraw/zinc/68/53/07/358685307.db2.gz HMCZFVOIXQDBKX-UONOGXRCSA-N 1 1 279.384 1.526 50 0 CDAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CC(c2ccccn2)C1 ZINC000095377933 358689385 /nfs/dbraw/zinc/68/93/85/358689385.db2.gz XDQHOERNYJWOGT-OAHLLOKOSA-N 1 1 273.380 1.882 50 0 CDAAMO Cc1nnc(CNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)[nH]1 ZINC000095386166 358691033 /nfs/dbraw/zinc/69/10/33/358691033.db2.gz DQVQKHLMXRGJLX-AWEZNQCLSA-N 1 1 287.367 1.341 50 0 CDAAMO CCc1nnc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000095388517 358692006 /nfs/dbraw/zinc/69/20/06/358692006.db2.gz ZALBTLGGCYVOCV-LLVKDONJSA-N 1 1 296.440 1.981 50 0 CDAAMO C(c1nc([C@H]2CCOC2)no1)[NH+]1CCCCCC1 ZINC000096137408 358709547 /nfs/dbraw/zinc/70/95/47/358709547.db2.gz DTIFFJMFKLOXNG-NSHDSACASA-N 1 1 251.330 1.950 50 0 CDAAMO Nc1cc(N2CCCN(c3ccc(F)cc3)CC2)nc[nH+]1 ZINC000096160980 358711365 /nfs/dbraw/zinc/71/13/65/358711365.db2.gz STXGVXBLPKIGGC-UHFFFAOYSA-N 1 1 287.342 1.915 50 0 CDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000098211979 358816647 /nfs/dbraw/zinc/81/66/47/358816647.db2.gz SVKIUCBUADXNLW-CYBMUJFWSA-N 1 1 277.368 1.782 50 0 CDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000098211979 358816652 /nfs/dbraw/zinc/81/66/52/358816652.db2.gz SVKIUCBUADXNLW-CYBMUJFWSA-N 1 1 277.368 1.782 50 0 CDAAMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCC(=O)NC(N)=O ZINC000185802148 358786146 /nfs/dbraw/zinc/78/61/46/358786146.db2.gz FIBJXYJXDUQMDZ-CQSZACIVSA-N 1 1 289.379 1.798 50 0 CDAAMO CC[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1COC[C@@H]1O ZINC000097610061 358787442 /nfs/dbraw/zinc/78/74/42/358787442.db2.gz JXQXQSHWUOHTGN-STQMWFEESA-N 1 1 257.280 1.546 50 0 CDAAMO CC[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1COC[C@@H]1O ZINC000215088382 358874718 /nfs/dbraw/zinc/87/47/18/358874718.db2.gz XTEDTHNOFLBKAO-GJZGRUSLSA-N 1 1 260.337 1.750 50 0 CDAAMO CC(C)(C[NH+]1CCC(c2nc[nH]n2)CC1)N1CCOCC1 ZINC000215309777 358883171 /nfs/dbraw/zinc/88/31/71/358883171.db2.gz VNCODPDTEZRBHG-UHFFFAOYSA-N 1 1 293.415 1.095 50 0 CDAAMO CNC(=O)C[N@H+](C)Cc1c(C)cc(OC)c(C)c1C ZINC000215464960 358890249 /nfs/dbraw/zinc/89/02/49/358890249.db2.gz RXEMJBPQTZPMDJ-UHFFFAOYSA-N 1 1 264.369 1.798 50 0 CDAAMO CNC(=O)C[N@@H+](C)Cc1c(C)cc(OC)c(C)c1C ZINC000215464960 358890254 /nfs/dbraw/zinc/89/02/54/358890254.db2.gz RXEMJBPQTZPMDJ-UHFFFAOYSA-N 1 1 264.369 1.798 50 0 CDAAMO Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3C[C@@H](C)OC3=O)C2)nc1 ZINC000222201986 359514240 /nfs/dbraw/zinc/51/42/40/359514240.db2.gz VSASMZSSGSEMJL-HZSPNIEDSA-N 1 1 289.379 1.828 50 0 CDAAMO Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)OC3=O)C2)nc1 ZINC000222201986 359514246 /nfs/dbraw/zinc/51/42/46/359514246.db2.gz VSASMZSSGSEMJL-HZSPNIEDSA-N 1 1 289.379 1.828 50 0 CDAAMO C[N@@H+](CCC(N)=O)Cc1ccc(Br)o1 ZINC000030536925 359615955 /nfs/dbraw/zinc/61/59/55/359615955.db2.gz WWQSBSJONMXUEJ-UHFFFAOYSA-N 1 1 261.119 1.349 50 0 CDAAMO CC[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000084735582 360106192 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293.411 1.963 50 0 CDAAMO CCN1CC[C@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560812 /nfs/dbraw/zinc/56/08/12/358560812.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 1 1 293.411 1.963 50 0 CDAAMO CCN1CC[C@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560815 /nfs/dbraw/zinc/56/08/15/358560815.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 1 1 293.411 1.963 50 0 CDAAMO O=C(C1CC1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095523355 358696045 /nfs/dbraw/zinc/69/60/45/358696045.db2.gz CLEJMYNLUAPCSY-HNNXBMFYSA-N 1 1 274.364 1.102 50 0 CDAAMO COCCCC[NH+]1CCN(C(=O)c2ncoc2C)CC1 ZINC000097137559 358752946 /nfs/dbraw/zinc/75/29/46/358752946.db2.gz PIQDLBQPFMUQET-UHFFFAOYSA-N 1 1 281.356 1.167 50 0 CDAAMO C[N@H+]1CCC2(CCN(C(=O)C3(C)CC3)CC2)[C@H](CO)C1 ZINC000097425718 358775130 /nfs/dbraw/zinc/77/51/30/358775130.db2.gz LMXNZAKNNYTBCB-ZDUSSCGKSA-N 1 1 280.412 1.339 50 0 CDAAMO CC(C)n1nc([C@H]2CCOC2)nc1C[NH2+]C1CC1 ZINC000097529035 358782481 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Cc1nnc(NC[C@@H]2CN(C)CC[N@@H+]2C)c2ccccc12 ZINC000068806716 526370356 /nfs/dbraw/zinc/37/03/56/526370356.db2.gz SDXJTSRVBLNNCT-CYBMUJFWSA-N 1 1 285.395 1.596 50 0 CDAAMO Cc1nnc(NC[C@@H]2CN(C)CC[N@H+]2C)c2ccccc12 ZINC000068806716 526370363 /nfs/dbraw/zinc/37/03/63/526370363.db2.gz SDXJTSRVBLNNCT-CYBMUJFWSA-N 1 1 285.395 1.596 50 0 CDAAMO CC[N@H+](CC(=O)Nc1cc(C(=O)N(C)C)ccn1)C1CC1 ZINC000096487099 527921266 /nfs/dbraw/zinc/92/12/66/527921266.db2.gz XFMMWAAGMSHMNC-UHFFFAOYSA-N 1 1 290.367 1.206 50 0 CDAAMO CC[N@@H+](CC(=O)Nc1cc(C(=O)N(C)C)ccn1)C1CC1 ZINC000096487099 527921275 /nfs/dbraw/zinc/92/12/75/527921275.db2.gz XFMMWAAGMSHMNC-UHFFFAOYSA-N 1 1 290.367 1.206 50 0 CDAAMO CN(CC1(C)COC1)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000952966225 616056529 /nfs/dbraw/zinc/05/65/29/616056529.db2.gz GGEWQLORLIQXPN-LBPRGKRZSA-N 1 1 254.374 1.356 50 0 CDAAMO CC(C)CC[N@H+]1CCN(C2CCOCC2)C[C@H]1CCO ZINC000299872903 728379517 /nfs/dbraw/zinc/37/95/17/728379517.db2.gz CZDTVCJXOSLUGI-MRXNPFEDSA-N 1 1 284.444 1.580 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Cc1nnc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)o1 ZINC000072134410 729924844 /nfs/dbraw/zinc/92/48/44/729924844.db2.gz SFDGLZBQMNQFQG-CQSZACIVSA-N 1 1 294.399 1.455 50 0 CDAAMO Cc1nnc(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)o1 ZINC000072134410 729924845 /nfs/dbraw/zinc/92/48/45/729924845.db2.gz SFDGLZBQMNQFQG-CQSZACIVSA-N 1 1 294.399 1.455 50 0 CDAAMO COc1ccc(C[N@H+]2CC[C@@]3(CCC(=O)N3)C2)c(OC)c1 ZINC000675017115 899872379 /nfs/dbraw/zinc/87/23/79/899872379.db2.gz KBWMZGSOICICEB-INIZCTEOSA-N 1 1 290.363 1.558 50 0 CDAAMO Cc1cc(N2CCC(C[N@H+](CCO)C(C)C)CC2)ncn1 ZINC000952883741 910453807 /nfs/dbraw/zinc/45/38/07/910453807.db2.gz XJBULQXUOYOXAT-UHFFFAOYSA-N 1 1 292.427 1.704 50 0 CDAAMO C[N@H+]1CC[C@@](C)(CNS(=O)(=O)CC2CCCC2)C1 ZINC000823754913 923551977 /nfs/dbraw/zinc/55/19/77/923551977.db2.gz ACNNUAQFEOLLHM-ZDUSSCGKSA-N 1 1 274.430 1.438 50 0 CDAAMO CC[N@H+]1CC[C@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000823104901 925673486 /nfs/dbraw/zinc/67/34/86/925673486.db2.gz QSZFXRPUKBGOJU-CYBMUJFWSA-N 1 1 274.430 1.438 50 0 CDAAMO CC1(C)C[N@@H+](Cc2cccc(OCC(N)=O)c2)C[C@]1(C)O ZINC000219576842 930883075 /nfs/dbraw/zinc/88/30/75/930883075.db2.gz CSFPYACPFNENAY-INIZCTEOSA-N 1 1 292.379 1.144 50 0 CDAAMO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](C)CNC(=O)OC(C)(C)C ZINC000585116609 930967699 /nfs/dbraw/zinc/96/76/99/930967699.db2.gz CQSXNZCCILEQHX-NEPJUHHUSA-N 1 1 299.415 1.358 50 0 CDAAMO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)CNC(=O)OC(C)(C)C ZINC000585116609 930967704 /nfs/dbraw/zinc/96/77/04/930967704.db2.gz CQSXNZCCILEQHX-NEPJUHHUSA-N 1 1 299.415 1.358 50 0 CDAAMO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529109960 968983293 /nfs/dbraw/zinc/98/32/93/968983293.db2.gz HQEDBRCTJXHUGD-MPZDIEGVSA-N 1 1 277.368 1.928 50 0 CDAAMO C[C@@H](C[N@@H+](C)CCOCc1ccccc1)N1CCOCC1 ZINC001529168156 969001901 /nfs/dbraw/zinc/00/19/01/969001901.db2.gz XBTDLXFEFVFFMU-INIZCTEOSA-N 1 1 292.423 1.856 50 0 CDAAMO COc1cc(NCCCc2nnc3ccccn32)nc(N)[nH+]1 ZINC001506397252 975147901 /nfs/dbraw/zinc/14/79/01/975147901.db2.gz 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/nfs/dbraw/zinc/86/79/93/361867993.db2.gz XFANRMMNJAONHR-LBPRGKRZSA-N 1 1 294.424 1.642 50 0 CDAAMO C[C@@H]1CC[C@@H](CO)C[N@@H+]1CCCN1CCCCC1 ZINC000097103394 342192072 /nfs/dbraw/zinc/19/20/72/342192072.db2.gz ZOCTYLFWRJDOBT-HUUCEWRRSA-N 1 1 254.418 1.955 50 0 CDAAMO C[C@@H]1CC[C@@H](CO)C[N@H+]1CCCN1CCCCC1 ZINC000097103394 342192073 /nfs/dbraw/zinc/19/20/73/342192073.db2.gz ZOCTYLFWRJDOBT-HUUCEWRRSA-N 1 1 254.418 1.955 50 0 CDAAMO CCOC(=O)[C@H](CC)Sc1nc(N)cc(N)[nH+]1 ZINC000000421085 361909485 /nfs/dbraw/zinc/90/94/85/361909485.db2.gz NGYAFGQWDQYEAG-LURJTMIESA-N 1 1 256.331 1.075 50 0 CDAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CC1(C)COC1 ZINC000625788366 342198895 /nfs/dbraw/zinc/19/88/95/342198895.db2.gz PLHDIXBTRMSAHZ-NSHDSACASA-N 1 1 254.374 1.402 50 0 CDAAMO c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000065563930 361917165 /nfs/dbraw/zinc/91/71/65/361917165.db2.gz SABUSLIXTPSIGI-KGLIPLIRSA-N 1 1 261.369 1.852 50 0 CDAAMO COc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)ccn1 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CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(C)s1 ZINC000584894704 349355003 /nfs/dbraw/zinc/35/50/03/349355003.db2.gz IIAMLTKQNLAAQN-QWRGUYRKSA-N 1 1 268.382 1.505 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(C)s1 ZINC000584894704 349355007 /nfs/dbraw/zinc/35/50/07/349355007.db2.gz IIAMLTKQNLAAQN-QWRGUYRKSA-N 1 1 268.382 1.505 50 0 CDAAMO CC(C)[N@@H+]1CCN(C(=O)c2cnc(N)s2)C[C@@H]1C ZINC000584900786 349363198 /nfs/dbraw/zinc/36/31/98/349363198.db2.gz QNEGDRPRQSVJMZ-VIFPVBQESA-N 1 1 268.386 1.110 50 0 CDAAMO CC(C)[N@H+]1CCN(C(=O)c2cnc(N)s2)C[C@@H]1C ZINC000584900786 349363201 /nfs/dbraw/zinc/36/32/01/349363201.db2.gz QNEGDRPRQSVJMZ-VIFPVBQESA-N 1 1 268.386 1.110 50 0 CDAAMO COCC[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000065376240 362948297 /nfs/dbraw/zinc/94/82/97/362948297.db2.gz XXPUGQRCHBVYJJ-ZNMIVQPWSA-N 1 1 278.396 1.379 50 0 CDAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C1 ZINC000091254259 180114929 /nfs/dbraw/zinc/11/49/29/180114929.db2.gz 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/nfs/dbraw/zinc/27/79/79/180277979.db2.gz PIJBIZRVJCJFBQ-UHFFFAOYSA-N 1 1 273.340 2.000 50 0 CDAAMO COc1ccccc1C[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC000106650559 186130492 /nfs/dbraw/zinc/13/04/92/186130492.db2.gz WJTUHWFZJVXOFR-OLZOCXBDSA-N 1 1 276.380 1.824 50 0 CDAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cncc(O)c1 ZINC000109042541 186240648 /nfs/dbraw/zinc/24/06/48/186240648.db2.gz DJUJGPJFFAGTRM-SNVBAGLBSA-N 1 1 261.325 1.001 50 0 CDAAMO Cc1ccccc1NC(=O)[C@H]1C=C(O)NC(=[NH2+])S1 ZINC000000177083 355893870 /nfs/dbraw/zinc/89/38/70/355893870.db2.gz WUJOOPJVUGGTQP-SECBINFHSA-N 1 1 263.322 1.280 50 0 CDAAMO COc1ccccc1C(=S)N1CC[NH+](C)CC1 ZINC000005041665 356048589 /nfs/dbraw/zinc/04/85/89/356048589.db2.gz OURUXWXEDGCKEA-UHFFFAOYSA-N 1 1 250.367 1.618 50 0 CDAAMO CCN1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000019201120 356476215 /nfs/dbraw/zinc/47/62/15/356476215.db2.gz YZULNEQSMUXOAX-AWEZNQCLSA-N 1 1 263.385 1.333 50 0 CDAAMO CC[NH+]1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000019929719 356517695 /nfs/dbraw/zinc/51/76/95/356517695.db2.gz BPSFVVCAZFCQNL-UHFFFAOYSA-N 1 1 262.353 1.402 50 0 CDAAMO COc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000022591192 356617486 /nfs/dbraw/zinc/61/74/86/356617486.db2.gz QYPBFLGCGTXZRA-UHFFFAOYSA-N 1 1 284.363 1.807 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc2c1OCO2 ZINC000023281694 356638644 /nfs/dbraw/zinc/63/86/44/356638644.db2.gz YFPBFMBQHWUFTF-NSHDSACASA-N 1 1 292.335 1.121 50 0 CDAAMO COc1cc(OC)c([C@H]2CC[N@@H+](C)C[C@@H]2O)c(OC)c1 ZINC000034202119 356810636 /nfs/dbraw/zinc/81/06/36/356810636.db2.gz MGNNDUKLPNLAFW-RYUDHWBXSA-N 1 1 281.352 1.492 50 0 CDAAMO CCc1ccc2ncn(CCc3cnc[nH]3)c(=O)c2c1 ZINC000043040556 357086152 /nfs/dbraw/zinc/08/61/52/357086152.db2.gz ZJUHIABEBPISSC-UHFFFAOYSA-N 1 1 268.320 1.925 50 0 CDAAMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[nH]n1 ZINC000048963391 357201384 /nfs/dbraw/zinc/20/13/84/357201384.db2.gz LQWLFZCZJPNENN-SNVBAGLBSA-N 1 1 250.346 1.180 50 0 CDAAMO CCCc1cc(C(=O)N2CCC([NH2+]C)CC2)n[nH]1 ZINC000055041989 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CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@@H]2C)CC1 ZINC000607974381 345491555 /nfs/dbraw/zinc/49/15/55/345491555.db2.gz CTFCRIMRPWSGPK-BHYGNILZSA-N 1 1 291.439 1.580 50 0 CDAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@H]2C)CC1 ZINC000607974382 345491557 /nfs/dbraw/zinc/49/15/57/345491557.db2.gz CTFCRIMRPWSGPK-DJIMGWMZSA-N 1 1 291.439 1.580 50 0 CDAAMO COCC1(C(=O)NC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000584886228 349344350 /nfs/dbraw/zinc/34/43/50/349344350.db2.gz BRDHJNIILIVASE-LBPRGKRZSA-N 1 1 254.374 1.404 50 0 CDAAMO Cc1c(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)cnn1C ZINC000584889540 349349025 /nfs/dbraw/zinc/34/90/25/349349025.db2.gz RVRVIZLKMPFAPX-LBPRGKRZSA-N 1 1 289.383 1.926 50 0 CDAAMO CCO[C@H]1C[N@H+](C)C[C@@H]1n1cnc2c(F)cccc2c1=O ZINC000584897756 349358814 /nfs/dbraw/zinc/35/88/14/349358814.db2.gz VIQGWOFEYVQWEU-STQMWFEESA-N 1 1 291.326 1.427 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1n1cnc2c(F)cccc2c1=O ZINC000584897756 349358817 /nfs/dbraw/zinc/35/88/17/349358817.db2.gz 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/nfs/dbraw/zinc/21/84/43/186218443.db2.gz HXTRVNDAGZZWNV-JMSVASOKSA-N 1 1 294.370 1.721 50 0 CDAAMO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c[nH]2)C1 ZINC000583651407 366009755 /nfs/dbraw/zinc/00/97/55/366009755.db2.gz MQZBYXXMYKJCCN-SSDOTTSWSA-N 1 1 272.146 1.084 50 0 CDAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c[nH]2)C1 ZINC000583651407 366009756 /nfs/dbraw/zinc/00/97/56/366009756.db2.gz MQZBYXXMYKJCCN-SSDOTTSWSA-N 1 1 272.146 1.084 50 0 CDAAMO Cc1ccc(C(=O)NCc2cn(-c3cc[nH+]cc3)nn2)s1 ZINC000390829921 351373875 /nfs/dbraw/zinc/37/38/75/351373875.db2.gz HMTURIOQJHIVAN-UHFFFAOYSA-N 1 1 299.359 1.962 50 0 CDAAMO COc1ccc(OC[C@H](O)Cn2cc[nH+]c2C)cc1 ZINC000000267547 355899852 /nfs/dbraw/zinc/89/98/52/355899852.db2.gz JFMRPUVOWVOWKX-GFCCVEGCSA-N 1 1 262.309 1.640 50 0 CDAAMO OC[C@@H]1CCCC[N@H+]1CCCNc1ccncn1 ZINC000095355256 356003563 /nfs/dbraw/zinc/00/35/63/356003563.db2.gz FTJFVXYHODESRK-LBPRGKRZSA-N 1 1 250.346 1.125 50 0 CDAAMO CCOC(=O)C1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000012394978 356297422 /nfs/dbraw/zinc/29/74/22/356297422.db2.gz DWRNXFWZLLCLLS-UHFFFAOYSA-N 1 1 265.357 1.678 50 0 CDAAMO Cc1ccc2c(C[N@@H+](C)CCO)cc(=O)oc2c1C ZINC000004340571 356304393 /nfs/dbraw/zinc/30/43/93/356304393.db2.gz WWVZIVYGYJDHBA-UHFFFAOYSA-N 1 1 261.321 1.834 50 0 biogenic CDAAMO CCOc1c(CNCC[NH+](C)C)cccc1OC ZINC000019871957 356512653 /nfs/dbraw/zinc/51/26/53/356512653.db2.gz GHPMJQPRYALTKG-UHFFFAOYSA-N 1 1 252.358 1.745 50 0 CDAAMO CCOCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019831898 356507572 /nfs/dbraw/zinc/50/75/72/356507572.db2.gz DNTZTNCZEDFDEA-UHFFFAOYSA-N 1 1 262.353 1.367 50 0 CDAAMO c1ccc(CN2CCN(C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000020072371 356525249 /nfs/dbraw/zinc/52/52/49/356525249.db2.gz UHYRMPACUMZTCQ-QGZVFWFLSA-N 1 1 273.424 1.946 50 0 CDAAMO CC[NH+]1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000019940156 356518631 /nfs/dbraw/zinc/51/86/31/356518631.db2.gz ZCNSTNDASNJBIF-UHFFFAOYSA-N 1 1 262.353 1.402 50 0 CDAAMO CCc1nn2c(nc(C[NH+]3CCCC3)cc2=O)s1 ZINC000023695127 356648408 /nfs/dbraw/zinc/64/84/08/356648408.db2.gz RZEAVBFWTRBOBU-UHFFFAOYSA-N 1 1 264.354 1.309 50 0 CDAAMO COc1ccc(C[N@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC000000207303 356812631 /nfs/dbraw/zinc/81/26/31/356812631.db2.gz UACNZXHUXSAGAV-LBPRGKRZSA-N 1 1 251.326 1.661 50 0 CDAAMO CCN1CCC[C@H]([N@H+]2CCC[C@H](CCCO)C2)C1 ZINC000042496515 357070443 /nfs/dbraw/zinc/07/04/43/357070443.db2.gz IWFICYUSBZVCBY-CABCVRRESA-N 1 1 254.418 1.955 50 0 CDAAMO COc1ccc(OCCC[N@H+]2CCNC(=O)CC2)cc1 ZINC000054867768 357326059 /nfs/dbraw/zinc/32/60/59/357326059.db2.gz JCLNYQHDBUNWEX-UHFFFAOYSA-N 1 1 278.352 1.286 50 0 CDAAMO CCCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000054961282 357327600 /nfs/dbraw/zinc/32/76/00/357327600.db2.gz WTWUCVOEWGKKJT-LBPRGKRZSA-N 1 1 268.357 1.073 50 0 CDAAMO CCCOC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000054961282 357327602 /nfs/dbraw/zinc/32/76/02/357327602.db2.gz WTWUCVOEWGKKJT-LBPRGKRZSA-N 1 1 268.357 1.073 50 0 CDAAMO Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000063694596 357516203 /nfs/dbraw/zinc/51/62/03/357516203.db2.gz OTGSOTUQPHBTMR-HNNXBMFYSA-N 1 1 292.427 1.737 50 0 CDAAMO CC[C@H](O)Cn1cc(C2=CC[N@@H+](CCOC)CC2)cn1 ZINC000065406335 357539352 /nfs/dbraw/zinc/53/93/52/357539352.db2.gz ZMMSZINEALESAN-HNNXBMFYSA-N 1 1 279.384 1.390 50 0 CDAAMO CCC1(CC)CN(C(=O)[C@H]2CC[N@@H+](CCOC)C2)CCO1 ZINC000065419853 357540324 /nfs/dbraw/zinc/54/03/24/357540324.db2.gz GANFBFLVIALRKU-AWEZNQCLSA-N 1 1 298.427 1.372 50 0 CDAAMO OCCOc1ccccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000065489361 357544861 /nfs/dbraw/zinc/54/48/61/357544861.db2.gz UZABPLSKMCGOGZ-ZDUSSCGKSA-N 1 1 259.309 1.016 50 0 CDAAMO O[C@@H]1CCCN(CCC[NH2+]C2CSCCSC2)C1 ZINC000067472677 357610485 /nfs/dbraw/zinc/61/04/85/357610485.db2.gz SHWFGPSZQKCBHU-CYBMUJFWSA-N 1 1 290.498 1.271 50 0 CDAAMO O[C@H]1CCCN(CCC[NH2+]C2CSCCSC2)C1 ZINC000067472676 357610601 /nfs/dbraw/zinc/61/06/01/357610601.db2.gz SHWFGPSZQKCBHU-ZDUSSCGKSA-N 1 1 290.498 1.271 50 0 CDAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000067714866 357620523 /nfs/dbraw/zinc/62/05/23/357620523.db2.gz GAPFLQYXWFUEKA-ZDUSSCGKSA-N 1 1 291.395 1.425 50 0 CDAAMO CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC000067821226 357630512 /nfs/dbraw/zinc/63/05/12/357630512.db2.gz GWYPBPOXRYMXIZ-QJIMOZNHSA-N 1 1 288.395 1.885 50 0 CDAAMO CCCNC(=O)C1([NH2+]Cc2cc[nH]n2)CCCCC1 ZINC000097102501 357972171 /nfs/dbraw/zinc/97/21/71/357972171.db2.gz GIYADHHNQRLHFV-UHFFFAOYSA-N 1 1 264.373 1.728 50 0 CDAAMO O[C@]1(CNCCc2ccccc2Cl)CC[NH2+]C1 ZINC000072432862 357985890 /nfs/dbraw/zinc/98/58/90/357985890.db2.gz ZZTRSTIVNSOMIJ-ZDUSSCGKSA-N 1 1 254.761 1.197 50 0 CDAAMO CO[C@H]1C=CC2=CC[N@H+]3CC[C@@H]4COC(=O)C=C4[C@]23C1 ZINC000019864716 358007931 /nfs/dbraw/zinc/00/79/31/358007931.db2.gz IXPDLJKEPLTCOU-FFSVYQOJSA-N 1 1 273.332 1.445 50 0 biogenic,in-vitro CDAAMO CN(C)C(=O)C[NH2+][C@H](CO)c1ccc(Cl)c(F)c1 ZINC000097081992 358181756 /nfs/dbraw/zinc/18/17/56/358181756.db2.gz WUYPPDRQMDUIHV-LLVKDONJSA-N 1 1 274.723 1.190 50 0 CDAAMO COc1cccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000098055862 358344458 /nfs/dbraw/zinc/34/44/58/358344458.db2.gz BERXWLLLFVNROO-WSROAFLRSA-N 1 1 274.364 1.871 50 0 CDAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COC(C)C)c(OC)c1 ZINC000098066150 358354719 /nfs/dbraw/zinc/35/47/19/358354719.db2.gz BVWYJZFKJQGONO-CQSZACIVSA-N 1 1 297.395 1.922 50 0 CDAAMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](CO)C1 ZINC000195558416 358564625 /nfs/dbraw/zinc/56/46/25/358564625.db2.gz KCTJGCIJPLHBAV-SWLSCSKDSA-N 1 1 267.344 1.840 50 0 CDAAMO CC[NH+]1CC[C@@H]([N@H+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566464 /nfs/dbraw/zinc/56/64/64/358566464.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 1 1 271.405 1.347 50 0 CDAAMO CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566466 /nfs/dbraw/zinc/56/64/66/358566466.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 1 1 271.405 1.347 50 0 CDAAMO CCN1CC[C@@H]([N@H+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566469 /nfs/dbraw/zinc/56/64/69/358566469.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 1 1 271.405 1.347 50 0 CDAAMO CCN1CC[C@@H]([N@@H+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566473 /nfs/dbraw/zinc/56/64/73/358566473.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 1 1 271.405 1.347 50 0 CDAAMO COc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000091793336 358527696 /nfs/dbraw/zinc/52/76/96/358527696.db2.gz BYRFLIXZKYRISU-LLVKDONJSA-N 1 1 286.335 1.259 50 0 CDAAMO Nc1cc(N2CCC(CCn3cccn3)CC2)nc[nH+]1 ZINC000096152999 358710266 /nfs/dbraw/zinc/71/02/66/358710266.db2.gz FPJZFTRYYMPZIJ-UHFFFAOYSA-N 1 1 272.356 1.562 50 0 CDAAMO O=C(NC[C@@H]1CCCO1)c1cc(C[NH+]2CCCC2)on1 ZINC000290921991 358772739 /nfs/dbraw/zinc/77/27/39/358772739.db2.gz HSELQYZMSQYWTK-NSHDSACASA-N 1 1 279.340 1.179 50 0 CDAAMO COc1ccccc1OCC[N@@H+](C)C[C@@H](O)COC(C)C ZINC000097473399 358778827 /nfs/dbraw/zinc/77/88/27/358778827.db2.gz CZSCMTURXVBBNA-CQSZACIVSA-N 1 1 297.395 1.792 50 0 CDAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(C3CC3)n[nH]1)C2 ZINC000097696256 358793797 /nfs/dbraw/zinc/79/37/97/358793797.db2.gz KIWTVNSZQQWZLO-CMPLNLGQSA-N 1 1 274.368 1.453 50 0 CDAAMO Cc1[nH+]ccn1CCCNc1ncnc2nc[nH]c21 ZINC000032517841 359222565 /nfs/dbraw/zinc/22/25/65/359222565.db2.gz PWNJYJWOHVLCHB-UHFFFAOYSA-N 1 1 257.301 1.360 50 0 CDAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NC(N)=O ZINC000024990391 359332490 /nfs/dbraw/zinc/33/24/90/359332490.db2.gz USVTUELTUFFQIA-LLVKDONJSA-N 1 1 290.367 1.672 50 0 CDAAMO C[C@@H]1OCC[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000408515063 359904727 /nfs/dbraw/zinc/90/47/27/359904727.db2.gz CQMUIGKRWFDLAX-NHYWBVRUSA-N 1 1 289.379 1.119 50 0 CDAAMO C[C@@H]1OCC[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000408515063 359904728 /nfs/dbraw/zinc/90/47/28/359904728.db2.gz CQMUIGKRWFDLAX-NHYWBVRUSA-N 1 1 289.379 1.119 50 0 CDAAMO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000248020883 360320037 /nfs/dbraw/zinc/32/00/37/360320037.db2.gz MEUQCTGFRADTET-AGIUHOORSA-N 1 1 254.374 1.402 50 0 CDAAMO 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CDAAMO CC[C@H]1CN(C(=O)CCn2cc(C)cn2)CC[N@H+]1C(C)C ZINC000091738179 180244027 /nfs/dbraw/zinc/24/40/27/180244027.db2.gz ZIHOREXGDSRESY-HNNXBMFYSA-N 1 1 292.427 1.913 50 0 CDAAMO C[C@H](CNC(=O)C1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106056150 186100770 /nfs/dbraw/zinc/10/07/70/186100770.db2.gz LJJHJXNWZKCSLI-JHJVBQTASA-N 1 1 268.401 1.791 50 0 CDAAMO COC(=O)c1ccc([C@@H](C)[N@H+]2CC[C@@H](CO)C2)o1 ZINC000108329035 186212424 /nfs/dbraw/zinc/21/24/24/186212424.db2.gz FVHYPWRDZVATQR-NXEZZACHSA-N 1 1 253.298 1.441 50 0 CDAAMO Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1Cl ZINC000193588923 362977584 /nfs/dbraw/zinc/97/75/84/362977584.db2.gz NEXICDXNLZNOSV-LLVKDONJSA-N 1 1 252.745 1.956 50 0 CDAAMO CC[N@@H+]1[C@H](C)CN(Cc2nnnn2C(C)(C)C)C[C@@H]1C ZINC000583651311 366009942 /nfs/dbraw/zinc/00/99/42/366009942.db2.gz KPIPWYTUYGTVKW-TXEJJXNPSA-N 1 1 280.420 1.343 50 0 CDAAMO Cc1cc(CN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)[nH]n1 ZINC000065434315 363270441 /nfs/dbraw/zinc/27/04/41/363270441.db2.gz LGVYLRIWASXJSP-CQSZACIVSA-N 1 1 278.400 1.941 50 0 CDAAMO Cc1cc(CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)n[nH]1 ZINC000065434315 363270444 /nfs/dbraw/zinc/27/04/44/363270444.db2.gz LGVYLRIWASXJSP-CQSZACIVSA-N 1 1 278.400 1.941 50 0 CDAAMO Cc1cc(CN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)n[nH]1 ZINC000065434315 363270450 /nfs/dbraw/zinc/27/04/50/363270450.db2.gz LGVYLRIWASXJSP-CQSZACIVSA-N 1 1 278.400 1.941 50 0 CDAAMO COC(=O)c1cccc(NC(=S)N2CC[NH+](C)CC2)c1 ZINC000000134477 355889674 /nfs/dbraw/zinc/88/96/74/355889674.db2.gz OGVUQNNDLAMDSQ-UHFFFAOYSA-N 1 1 293.392 1.417 50 0 CDAAMO C[NH+](C)CCCN=C1NC=N[C@H]2C=C(Cl)C=C[C@H]12 ZINC000004085122 356018096 /nfs/dbraw/zinc/01/80/96/356018096.db2.gz IHVLCFGXWABDPI-RYUDHWBXSA-N 1 1 266.776 1.645 50 0 CDAAMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCCC1(C)C ZINC000193934174 358502527 /nfs/dbraw/zinc/50/25/27/358502527.db2.gz JOJPHERZTLUAPT-AWEZNQCLSA-N 1 1 296.459 1.596 50 0 CDAAMO CCCc1noc(C[N@@H+]2CCCC[C@@H]2CCO)n1 ZINC000015075058 356404904 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/nfs/dbraw/zinc/51/29/54/356512954.db2.gz NHLVEBXWVCTNQL-AWEZNQCLSA-N 1 1 299.305 1.642 50 0 CDAAMO S=C1OCCN1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022915151 356623871 /nfs/dbraw/zinc/62/38/71/356623871.db2.gz FNSHBFUUGPVYHY-UHFFFAOYSA-N 1 1 291.420 1.379 50 0 CDAAMO Clc1ccc(NCCC[NH+]2CCOCC2)nn1 ZINC000023115447 356628646 /nfs/dbraw/zinc/62/86/46/356628646.db2.gz KBVXZFQAHHKPBP-UHFFFAOYSA-N 1 1 256.737 1.264 50 0 CDAAMO O=C(CC[NH+]1CCOCC1)Nc1ccnn1C1CCCC1 ZINC000028843237 356727415 /nfs/dbraw/zinc/72/74/15/356727415.db2.gz HWGFRFCBONRYLE-UHFFFAOYSA-N 1 1 292.383 1.659 50 0 CDAAMO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000034800100 356820128 /nfs/dbraw/zinc/82/01/28/356820128.db2.gz SQXBFRFABWYXTK-UHFFFAOYSA-N 1 1 294.298 1.299 50 0 CDAAMO CC(C)(CNc1cnccn1)C[NH+]1CCOCC1 ZINC000032516097 356781367 /nfs/dbraw/zinc/78/13/67/356781367.db2.gz YOKACYGZKLMZLU-UHFFFAOYSA-N 1 1 250.346 1.247 50 0 CDAAMO CCNC(=O)C(C)(C)CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095431069 357446627 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357970753 /nfs/dbraw/zinc/97/07/53/357970753.db2.gz JBTACGIUUCMXTE-GFCCVEGCSA-N 1 1 282.409 1.817 50 0 CDAAMO COC(=O)CC[N@H+]1CCN(Cc2cccs2)[C@H](C)C1 ZINC000097100162 357970756 /nfs/dbraw/zinc/97/07/56/357970756.db2.gz JBTACGIUUCMXTE-GFCCVEGCSA-N 1 1 282.409 1.817 50 0 CDAAMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NC2CC2)s1 ZINC000097112046 357986829 /nfs/dbraw/zinc/98/68/29/357986829.db2.gz OUROMOQNDVLIRH-UHFFFAOYSA-N 1 1 253.371 1.555 50 0 CDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Cc2cccnc2)C1 ZINC000082166360 358150620 /nfs/dbraw/zinc/15/06/20/358150620.db2.gz OFNBLDDLZDSUFF-ZDUSSCGKSA-N 1 1 273.380 1.709 50 0 CDAAMO CC(=O)c1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1C ZINC000194603524 358526821 /nfs/dbraw/zinc/52/68/21/358526821.db2.gz PJKYCHZCTZGOQG-GASCZTMLSA-N 1 1 286.375 1.831 50 0 CDAAMO CCc1nccn1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095359308 358684841 /nfs/dbraw/zinc/68/48/41/358684841.db2.gz QZJXSBNOSDWUAF-CQSZACIVSA-N 1 1 292.427 1.826 50 0 CDAAMO CCc1nc(N)nc(N2CC[NH+](CCCOC)CC2)c1C ZINC000095376388 358689626 /nfs/dbraw/zinc/68/96/26/358689626.db2.gz KJXMCUIMLQFUHC-UHFFFAOYSA-N 1 1 293.415 1.088 50 0 CDAAMO CCc1cnc(NC[C@@H](CC)[NH+]2CCOCC2)nc1 ZINC000095384205 358690296 /nfs/dbraw/zinc/69/02/96/358690296.db2.gz RKDUVDUWHQGYFA-CYBMUJFWSA-N 1 1 264.373 1.562 50 0 CDAAMO CCc1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000095386664 358691417 /nfs/dbraw/zinc/69/14/17/358691417.db2.gz ALRGCLVFEODHPK-OAHLLOKOSA-N 1 1 290.411 1.588 50 0 CDAAMO CNC(=O)CCN(C)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095392878 358692949 /nfs/dbraw/zinc/69/29/49/358692949.db2.gz JKPSHQARCDPUQI-OAHLLOKOSA-N 1 1 291.395 1.192 50 0 CDAAMO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247716969 358745769 /nfs/dbraw/zinc/74/57/69/358745769.db2.gz OAGOCZXXCOBZNR-GJZGRUSLSA-N 1 1 299.378 1.359 50 0 CDAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247716969 358745773 /nfs/dbraw/zinc/74/57/73/358745773.db2.gz OAGOCZXXCOBZNR-GJZGRUSLSA-N 1 1 299.378 1.359 50 0 CDAAMO Cc1ccsc1C[N@H+]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000097099202 358751094 /nfs/dbraw/zinc/75/10/94/358751094.db2.gz KQOSLPRZXIWEEI-KBPBESRZSA-N 1 1 296.436 1.324 50 0 CDAAMO Cc1ccc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)c1 ZINC000097532561 358782393 /nfs/dbraw/zinc/78/23/93/358782393.db2.gz LRVHMYWFVVYTMC-IRXDYDNUSA-N 1 1 274.408 1.944 50 0 CDAAMO Cc1ccc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)c1 ZINC000097532561 358782394 /nfs/dbraw/zinc/78/23/94/358782394.db2.gz LRVHMYWFVVYTMC-IRXDYDNUSA-N 1 1 274.408 1.944 50 0 CDAAMO Cc1[nH]c(=O)c(C(=O)NCCc2cnc[nH]2)c(C)c1Cl ZINC000097654049 358790117 /nfs/dbraw/zinc/79/01/17/358790117.db2.gz OCPHNQFGSJYBPA-UHFFFAOYSA-N 1 1 294.742 1.341 50 0 CDAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2nc(C)c[nH]2)C1 ZINC000097785190 358799087 /nfs/dbraw/zinc/79/90/87/358799087.db2.gz GBBVMBLLFKBNST-CYBMUJFWSA-N 1 1 266.389 1.118 50 0 CDAAMO CSCCN1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000215995131 358914965 /nfs/dbraw/zinc/91/49/65/358914965.db2.gz SQYJWDUKPIIUPH-UHFFFAOYSA-N 1 1 293.480 1.668 50 0 CDAAMO Cn1cncc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000215780569 358903408 /nfs/dbraw/zinc/90/34/08/358903408.db2.gz KLZHBGLBEFZNKN-UHFFFAOYSA-N 1 1 267.336 1.896 50 0 CDAAMO CO[C@H]1CC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000215789525 358903501 /nfs/dbraw/zinc/90/35/01/358903501.db2.gz RVTBQNCUEDNLHA-NSHDSACASA-N 1 1 267.398 1.964 50 0 CDAAMO CSc1ncc(CN2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000215866916 358906688 /nfs/dbraw/zinc/90/66/88/358906688.db2.gz MSZPINVQSXYXPR-CYBMUJFWSA-N 1 1 278.425 1.869 50 0 CDAAMO CN(C)c1ncc(C[N@H+]2CCCC3(CCOCC3)C2)cn1 ZINC000216107164 358924871 /nfs/dbraw/zinc/92/48/71/358924871.db2.gz FOUUFYOVCYFDFX-UHFFFAOYSA-N 1 1 290.411 1.935 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OC ZINC000033834816 359363383 /nfs/dbraw/zinc/36/33/83/359363383.db2.gz UHCGCOWDMZJDOC-GFCCVEGCSA-N 1 1 262.353 1.909 50 0 CDAAMO CCOc1ccccc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000257184649 359500695 /nfs/dbraw/zinc/50/06/95/359500695.db2.gz VAZNIQXONYPQBA-BETUJISGSA-N 1 1 288.347 1.132 50 0 CDAAMO C[N@@H+]1C[C@@H](c2ccncc2)[C@H](C(=O)N2CCCCC2)C1 ZINC000257183779 359492969 /nfs/dbraw/zinc/49/29/69/359492969.db2.gz HYBLFBRKMVREIQ-LSDHHAIUSA-N 1 1 273.380 1.739 50 0 CDAAMO COc1cccc(C[N@H+]2CCCOCCNC(=O)CC2)c1 ZINC000257195021 359610072 /nfs/dbraw/zinc/61/00/72/359610072.db2.gz VFGQYWDLRJQPPP-UHFFFAOYSA-N 1 1 292.379 1.424 50 0 CDAAMO C[C@@H](C[N@H+](C)CCCOc1ccccc1)S(C)(=O)=O ZINC000408519499 359913238 /nfs/dbraw/zinc/91/32/38/359913238.db2.gz HDLKPJLYHKISCM-ZDUSSCGKSA-N 1 1 285.409 1.820 50 0 CDAAMO C[C@@H](C[N@@H+](C)CCCOc1ccccc1)S(C)(=O)=O ZINC000408519499 359913242 /nfs/dbraw/zinc/91/32/42/359913242.db2.gz HDLKPJLYHKISCM-ZDUSSCGKSA-N 1 1 285.409 1.820 50 0 CDAAMO CCN1CC[NH+](CC(C)(C)NC(=O)c2c[nH]cc2C)CC1 ZINC000408520815 359917261 /nfs/dbraw/zinc/91/72/61/359917261.db2.gz YFFGCDRNNOBQDV-UHFFFAOYSA-N 1 1 292.427 1.469 50 0 CDAAMO Nc1nc(NCCCc2ccccc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426496974 360676829 /nfs/dbraw/zinc/67/68/29/360676829.db2.gz 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390956447 /nfs/dbraw/zinc/95/64/47/390956447.db2.gz KBRZTVUQSQNBCP-AWEZNQCLSA-N 1 1 277.343 1.899 50 0 CDAAMO C[N@H+]1CCC[C@H]1CN1CCN(c2ccc(O)cc2)CC1 ZINC000244716099 391343651 /nfs/dbraw/zinc/34/36/51/391343651.db2.gz LIKVMRKHROAGKU-HNNXBMFYSA-N 1 1 275.396 1.608 50 0 CDAAMO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCNC3=O)c1 ZINC000568176954 391609099 /nfs/dbraw/zinc/60/90/99/391609099.db2.gz JIPWDMPBHTZHIH-OAHLLOKOSA-N 1 1 255.321 1.413 50 0 CDAAMO COc1c2c(cc3c1[C@@H](C[C@@H](C)O)[N@@H+](C)CC3)OCO2 ZINC000004029120 391935876 /nfs/dbraw/zinc/93/58/76/391935876.db2.gz QLEBYGRJDONRLS-MWLCHTKSSA-N 1 1 279.336 1.724 50 0 biogenic CDAAMO CSCC[C@H](C(=O)N1CC[NH+](C)CC1)n1cccc1 ZINC000263588414 391966373 /nfs/dbraw/zinc/96/63/73/391966373.db2.gz TZMUNVIBKQPCIS-CYBMUJFWSA-N 1 1 281.425 1.556 50 0 CDAAMO CC(C)N1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)C1=O ZINC000245339170 391979615 /nfs/dbraw/zinc/97/96/15/391979615.db2.gz QZQVVSPQQYPQHH-OLZOCXBDSA-N 1 1 254.374 1.354 50 0 CDAAMO COC(=O)CCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281894677 393161535 /nfs/dbraw/zinc/16/15/35/393161535.db2.gz QFRCSYHMLNCSRO-KBPBESRZSA-N 1 1 281.327 1.887 50 0 CDAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C)C1CC1)c1ccccn1 ZINC000096437060 393186450 /nfs/dbraw/zinc/18/64/50/393186450.db2.gz SKWQCCKTHUIYBU-OAHLLOKOSA-N 1 1 261.369 1.989 50 0 CDAAMO Cc1cn2nc(N3CC[N@H+]4CCC[C@H]4C3)sc2n1 ZINC000252467603 393260767 /nfs/dbraw/zinc/26/07/67/393260767.db2.gz VGCIETIARFYVGK-JTQLQIEISA-N 1 1 263.370 1.384 50 0 CDAAMO Cc1cc(N)nc(SCCC[NH+]2CCOCC2)n1 ZINC000195336058 140153564 /nfs/dbraw/zinc/15/35/64/140153564.db2.gz GROVRLNXHHZKQV-UHFFFAOYSA-N 1 1 268.386 1.182 50 0 CDAAMO C[N@@H+](CCNC(=O)[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000084673279 483311171 /nfs/dbraw/zinc/31/11/71/483311171.db2.gz NPFJHBSKWFJQRG-SNVBAGLBSA-N 1 1 265.184 1.781 50 0 CDAAMO CNC(=O)C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000024989552 397787047 /nfs/dbraw/zinc/78/70/47/397787047.db2.gz NLGHYJBPJBKCPZ-UHFFFAOYSA-N 1 1 293.342 1.222 50 0 CDAAMO Cc1ccc(C2CC([NH2+]Cc3nnn(C)n3)C2)cc1 ZINC000365512575 159379055 /nfs/dbraw/zinc/37/90/55/159379055.db2.gz LYPQETSRDRWKLA-UHFFFAOYSA-N 1 1 257.341 1.554 50 0 CDAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000004990309 170050636 /nfs/dbraw/zinc/05/06/36/170050636.db2.gz MILBXOXYEVYDBD-GFCCVEGCSA-N 1 1 281.352 1.669 50 0 CDAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000004990309 170050638 /nfs/dbraw/zinc/05/06/38/170050638.db2.gz MILBXOXYEVYDBD-GFCCVEGCSA-N 1 1 281.352 1.669 50 0 CDAAMO C[N@H+]1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000006731235 170235500 /nfs/dbraw/zinc/23/55/00/170235500.db2.gz VEBYFNMOGUNLLY-UHFFFAOYSA-N 1 1 287.157 1.820 50 0 CDAAMO COc1cccc(CN2CC[N@@H+](C)[C@@H](CCO)C2)c1 ZINC000020363223 171162374 /nfs/dbraw/zinc/16/23/74/171162374.db2.gz PRELKPJCCVHDGS-AWEZNQCLSA-N 1 1 264.369 1.194 50 0 CDAAMO COc1cccc(C[N@@H+]2CCN(C)[C@@H](CCO)C2)c1 ZINC000020363223 171162377 /nfs/dbraw/zinc/16/23/77/171162377.db2.gz PRELKPJCCVHDGS-AWEZNQCLSA-N 1 1 264.369 1.194 50 0 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CDAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000431010249 391706226 /nfs/dbraw/zinc/70/62/26/391706226.db2.gz NFVAZVCQMPNXPU-KKUMJFAQSA-N 1 1 298.427 1.419 50 0 CDAAMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H]3CCC[C@H]32)C1 ZINC000252511491 391911660 /nfs/dbraw/zinc/91/16/60/391911660.db2.gz HHERRFZGXGBAHR-XJFOESAGSA-N 1 1 250.386 1.975 50 0 CDAAMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000192824941 393169791 /nfs/dbraw/zinc/16/97/91/393169791.db2.gz MECNINORBDYHDC-AWEZNQCLSA-N 1 1 282.388 1.917 50 0 CDAAMO C[C@H]1C[C@@H](NCc2ccnc(N(C)C)n2)C[N@H+]1C1CC1 ZINC000096493541 393188702 /nfs/dbraw/zinc/18/87/02/393188702.db2.gz MWEFLYOLNIMECG-WCQYABFASA-N 1 1 275.400 1.257 50 0 CDAAMO C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N(C)C)n2)CN1C1CC1 ZINC000096493541 393188710 /nfs/dbraw/zinc/18/87/10/393188710.db2.gz MWEFLYOLNIMECG-WCQYABFASA-N 1 1 275.400 1.257 50 0 CDAAMO Nc1cc[nH+]c(N2CCC[C@](CO)(CC3CC3)C2)n1 ZINC000091486239 135070965 /nfs/dbraw/zinc/07/09/65/135070965.db2.gz QBNNRMKYESVXJL-AWEZNQCLSA-N 1 1 262.357 1.438 50 0 CDAAMO CCc1nnc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)[nH]1 ZINC000181724012 148219824 /nfs/dbraw/zinc/21/98/24/148219824.db2.gz ZXFAFOXHJYFHNG-CYBMUJFWSA-N 1 1 293.415 1.054 50 0 CDAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000004700164 170001252 /nfs/dbraw/zinc/00/12/52/170001252.db2.gz RDSYFRCEAPPKOM-UHFFFAOYSA-N 1 1 250.317 1.992 50 0 CDAAMO COc1ccc(OC)c([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005611084 170119368 /nfs/dbraw/zinc/11/93/68/170119368.db2.gz OLJLGOINCQIVAB-ZDUSSCGKSA-N 1 1 259.309 1.662 50 0 biogenic CDAAMO C[C@H]1CCc2c(sc(NC(=O)C[NH+](C)C)c2C(N)=O)C1 ZINC000006726975 170233919 /nfs/dbraw/zinc/23/39/19/170233919.db2.gz CYJNPMLOLNHEAK-QMMMGPOBSA-N 1 1 295.408 1.472 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1 ZINC000020281505 171132910 /nfs/dbraw/zinc/13/29/10/171132910.db2.gz XWUHLWBFLJYXIV-GFCCVEGCSA-N 1 1 283.397 1.031 50 0 CDAAMO CC(C)CCc1noc(CN2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000020453411 171208392 /nfs/dbraw/zinc/20/83/92/171208392.db2.gz UEIFNKNYWXDPOE-CYBMUJFWSA-N 1 1 278.400 1.938 50 0 CDAAMO CC[NH+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000020567722 171255229 /nfs/dbraw/zinc/25/52/29/171255229.db2.gz PNBGPAYWXYZAQR-UHFFFAOYSA-N 1 1 286.379 1.660 50 0 CDAAMO Cc1noc([C@@H](C)Sc2nc(N)cc(N)[nH+]2)n1 ZINC000031821320 171648630 /nfs/dbraw/zinc/64/86/30/171648630.db2.gz IUGKVFKEDWNOJD-SCSAIBSYSA-N 1 1 252.303 1.186 50 0 CDAAMO OC[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC000072137291 176322581 /nfs/dbraw/zinc/32/25/81/176322581.db2.gz YHIGVBMIHLXLSA-UKRRQHHQSA-N 1 1 260.337 1.343 50 0 CDAAMO COc1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000012420041 424377264 /nfs/dbraw/zinc/37/72/64/424377264.db2.gz IZIUAPHQUZQLQD-MELADBBJSA-N 1 1 295.379 1.544 50 0 CDAAMO C([C@H]1CCOC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000336555942 275397749 /nfs/dbraw/zinc/39/77/49/275397749.db2.gz NFFCVTRBWWZRMA-CQSZACIVSA-N 1 1 252.402 1.973 50 0 CDAAMO C([C@H]1CCOC1)[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000336555942 275397750 /nfs/dbraw/zinc/39/77/50/275397750.db2.gz NFFCVTRBWWZRMA-CQSZACIVSA-N 1 1 252.402 1.973 50 0 CDAAMO C([C@H]1CCOC1)[N@H+]1CCCN(C2CCCC2)CC1 ZINC000336555942 275397751 /nfs/dbraw/zinc/39/77/51/275397751.db2.gz NFFCVTRBWWZRMA-CQSZACIVSA-N 1 1 252.402 1.973 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CO)CC[C@H]2C1 ZINC000044126631 277189126 /nfs/dbraw/zinc/18/91/26/277189126.db2.gz UKFJLHLYPJBMCY-RYUDHWBXSA-N 1 1 270.373 1.310 50 0 CDAAMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](CO)CC[C@H]2C1 ZINC000044126631 277189128 /nfs/dbraw/zinc/18/91/28/277189128.db2.gz UKFJLHLYPJBMCY-RYUDHWBXSA-N 1 1 270.373 1.310 50 0 CDAAMO CC1(C)C[N@@H+](CCn2cncn2)Cc2ccccc2O1 ZINC000289138780 278333721 /nfs/dbraw/zinc/33/37/21/278333721.db2.gz YJVNPOZBTJGXMC-UHFFFAOYSA-N 1 1 272.352 1.951 50 0 CDAAMO Cn1cncc1C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534590011 328317680 /nfs/dbraw/zinc/31/76/80/328317680.db2.gz VRTBBKAATLUPCR-AWEZNQCLSA-N 1 1 299.378 1.210 50 0 CDAAMO Cn1cncc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534590011 328317681 /nfs/dbraw/zinc/31/76/81/328317681.db2.gz VRTBBKAATLUPCR-AWEZNQCLSA-N 1 1 299.378 1.210 50 0 CDAAMO CC[N@@H+](C)C1(CNC(=O)c2[nH]cnc2C)CCCC1 ZINC000534590274 328317818 /nfs/dbraw/zinc/31/78/18/328317818.db2.gz ARYJWDHTJMOFCG-UHFFFAOYSA-N 1 1 264.373 1.712 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)NCC[C@H]1CCCOC1 ZINC000534633640 328332587 /nfs/dbraw/zinc/33/25/87/328332587.db2.gz UPMSWHRWJGSUMV-CYBMUJFWSA-N 1 1 279.384 1.769 50 0 CDAAMO CC1(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)COC1 ZINC000534635499 328333467 /nfs/dbraw/zinc/33/34/67/328333467.db2.gz GWZJIZCYQCRASB-CYBMUJFWSA-N 1 1 280.412 1.794 50 0 CDAAMO C[NH2+]Cc1nnc(N(C)CCCOc2ccccc2)o1 ZINC001772708854 1159442679 /nfs/dbraw/zinc/44/26/79/1159442679.db2.gz GKEBRBWAHXDILR-UHFFFAOYSA-N 1 1 276.340 1.694 50 0 CDAAMO COc1cccc(C[N@@H+](C)CC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000670445457 482992693 /nfs/dbraw/zinc/99/26/93/482992693.db2.gz LMWXSZJJKHKZJR-CYBMUJFWSA-N 1 1 297.420 1.952 50 0 CDAAMO CC[N@H+]1CC[C@H](CNc2ncc(F)c(OC)n2)C1 ZINC000670458893 483041049 /nfs/dbraw/zinc/04/10/49/483041049.db2.gz RBTAYVOFFPIDFD-SECBINFHSA-N 1 1 254.309 1.378 50 0 CDAAMO Nc1ncc(C[N@H+]2CCC[C@H](c3ccncn3)C2)s1 ZINC000670461276 483043530 /nfs/dbraw/zinc/04/35/30/483043530.db2.gz LQQJPCNUQDNZII-JTQLQIEISA-N 1 1 275.381 1.895 50 0 CDAAMO O[C@H]1C[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2C[C@@H]1O ZINC000670471481 483075632 /nfs/dbraw/zinc/07/56/32/483075632.db2.gz PCJSNXQXHWRWOD-RNJOBUHISA-N 1 1 253.367 1.312 50 0 CDAAMO Cn1ncc2c1ncn(C[C@H](c1ccco1)[NH+](C)C)c2=O ZINC000670472575 483081706 /nfs/dbraw/zinc/08/17/06/483081706.db2.gz AYHLGTJIHAPCLZ-LLVKDONJSA-N 1 1 287.323 1.026 50 0 CDAAMO C[N@H+](CC(=O)Nc1ccc2oc(=O)[nH]c2c1)C1CC1 ZINC000083857662 483210171 /nfs/dbraw/zinc/21/01/71/483210171.db2.gz HPMGNKKRSLUQDO-UHFFFAOYSA-N 1 1 261.281 1.154 50 0 CDAAMO C[N@@H+](CC(=O)Nc1ccc2oc(=O)[nH]c2c1)C1CC1 ZINC000083857662 483210178 /nfs/dbraw/zinc/21/01/78/483210178.db2.gz HPMGNKKRSLUQDO-UHFFFAOYSA-N 1 1 261.281 1.154 50 0 CDAAMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)COC[C@H]1CCCO1 ZINC000084544267 483286601 /nfs/dbraw/zinc/28/66/01/483286601.db2.gz DENPXIZWLDUSPJ-HUUCEWRRSA-N 1 1 298.427 1.419 50 0 CDAAMO COC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177594756 536629288 /nfs/dbraw/zinc/62/92/88/536629288.db2.gz KBZZVAKWIVUAPK-JSGCOSHPSA-N 1 1 285.384 1.598 50 0 CDAAMO COc1ccc2[nH]c(C[NH2+]Cc3cnn(C)c3C)nc2c1 ZINC000952976693 617287736 /nfs/dbraw/zinc/28/77/36/617287736.db2.gz SQQZQCJVJZPDDF-UHFFFAOYSA-N 1 1 285.351 1.903 50 0 CDAAMO CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000952994627 616765788 /nfs/dbraw/zinc/76/57/88/616765788.db2.gz RXRQIGMXJNUPKN-GFCCVEGCSA-N 1 1 265.332 1.719 50 0 CDAAMO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000952994627 616765790 /nfs/dbraw/zinc/76/57/90/616765790.db2.gz RXRQIGMXJNUPKN-GFCCVEGCSA-N 1 1 265.332 1.719 50 0 CDAAMO C[N@H+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C(C)(C)C ZINC000863947407 790431470 /nfs/dbraw/zinc/43/14/70/790431470.db2.gz HBFIBGJBPYRUJB-LRDDRELGSA-N 1 1 295.427 1.091 50 0 CDAAMO C[C@@H](c1cccc(C[NH2+]Cc2n[nH]c(=O)[n-]2)c1)[NH+](C)C ZINC000952983489 791519092 /nfs/dbraw/zinc/51/90/92/791519092.db2.gz GDELDAKWCFWQNJ-JTQLQIEISA-N 1 1 275.356 1.423 50 0 CDAAMO Cc1nonc1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000809744644 796092230 /nfs/dbraw/zinc/09/22/30/796092230.db2.gz WDTHVDPECHWIFU-GFCCVEGCSA-N 1 1 258.325 1.747 50 0 CDAAMO COc1ccc(C[N@H+]2CC[C@]3(CCC(=O)N3)C2)c(OC)c1 ZINC000675017124 899873763 /nfs/dbraw/zinc/87/37/63/899873763.db2.gz KBWMZGSOICICEB-MRXNPFEDSA-N 1 1 290.363 1.558 50 0 CDAAMO COCC[N@H+]1CC[C@@H](CNCc2cnccc2Cl)C1 ZINC000952869599 910421638 /nfs/dbraw/zinc/42/16/38/910421638.db2.gz WJAMQSAAWQICAX-LBPRGKRZSA-N 1 1 283.803 1.793 50 0 CDAAMO CCNC(=O)C[N@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC000952884014 910457715 /nfs/dbraw/zinc/45/77/15/910457715.db2.gz RIWBIODBFKTDRS-GFCCVEGCSA-N 1 1 270.373 1.130 50 0 CDAAMO CCNC(=O)C[N@@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC000952884014 910457723 /nfs/dbraw/zinc/45/77/23/910457723.db2.gz RIWBIODBFKTDRS-GFCCVEGCSA-N 1 1 270.373 1.130 50 0 CDAAMO CC[C@H](O)Cn1ncnc1C[NH+]1CCCCCC1 ZINC000822619914 925641503 /nfs/dbraw/zinc/64/15/03/925641503.db2.gz HCLXPCWDYLRKTG-LBPRGKRZSA-N 1 1 252.362 1.425 50 0 CDAAMO CC[NH+]1CCC(CNc2ccncc2F)(N(C)C)CC1 ZINC000823107385 925672527 /nfs/dbraw/zinc/67/25/27/925672527.db2.gz VQRWRCKPXSLCHR-UHFFFAOYSA-N 1 1 280.391 1.471 50 0 CDAAMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1[C@H]1CCc2ccccc2C1 ZINC000824121229 925803597 /nfs/dbraw/zinc/80/35/97/925803597.db2.gz JJUSZKLMMMKTBK-KKUMJFAQSA-N 1 1 275.348 1.152 50 0 CDAAMO C[N@H+]1CCCC[C@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C ZINC000826842491 925919474 /nfs/dbraw/zinc/91/94/74/925919474.db2.gz WVXWLBFACPJUBZ-NSHDSACASA-N 1 1 293.415 1.088 50 0 CDAAMO CO[C@H](C[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1)C(C)C ZINC000585089071 930913012 /nfs/dbraw/zinc/91/30/12/930913012.db2.gz APIITUJQVSOVPJ-QWHCGFSZSA-N 1 1 282.388 1.338 50 0 CDAAMO Cc1csc(CNc2nc(N3CC[C@H](O)C3)cc[nH+]2)n1 ZINC001529141504 968992070 /nfs/dbraw/zinc/99/20/70/968992070.db2.gz JUXNYCRDDAJQGQ-JTQLQIEISA-N 1 1 291.380 1.425 50 0 CDAAMO CCc1nc(CN2CCN(c3cc[nH+]cc3C)CC2)n[nH]1 ZINC001506403491 975150480 /nfs/dbraw/zinc/15/04/80/975150480.db2.gz BUJPOHHWTMPDDU-UHFFFAOYSA-N 1 1 286.383 1.393 50 0 CDAAMO CCn1cnnc1CN(C)c1nc(N)[nH+]c(C)c1Cl ZINC001506412300 975154388 /nfs/dbraw/zinc/15/43/88/975154388.db2.gz BONYHNHUVXAOSX-UHFFFAOYSA-N 1 1 281.751 1.268 50 0 CDAAMO OC[C@@H]1CCC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000220506351 230397325 /nfs/dbraw/zinc/39/73/25/230397325.db2.gz XRBGPWYSZCHUOS-INIZCTEOSA-N 1 1 271.364 1.888 50 0 CDAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc(C)no1 ZINC000106789133 349491254 /nfs/dbraw/zinc/49/12/54/349491254.db2.gz XWNFJSZOLVGVHX-QWHCGFSZSA-N 1 1 278.356 1.353 50 0 CDAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nc(C)no1 ZINC000106789133 349491256 /nfs/dbraw/zinc/49/12/56/349491256.db2.gz XWNFJSZOLVGVHX-QWHCGFSZSA-N 1 1 278.356 1.353 50 0 CDAAMO OC[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000095941339 185035665 /nfs/dbraw/zinc/03/56/65/185035665.db2.gz VNESCLROYQDICP-LBPRGKRZSA-N 1 1 259.309 1.597 50 0 CDAAMO CC(C)OCCC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000095953062 185040803 /nfs/dbraw/zinc/04/08/03/185040803.db2.gz NLOPYBUGHYQFRJ-UHFFFAOYSA-N 1 1 264.369 1.789 50 0 CDAAMO CCCc1noc2ncc(C(=O)N[C@H]3CC[N@@H+](C)C3)cc12 ZINC000095955375 185041618 /nfs/dbraw/zinc/04/16/18/185041618.db2.gz HMWVSYOTWXFAOJ-NSHDSACASA-N 1 1 288.351 1.609 50 0 CDAAMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000095986834 185056313 /nfs/dbraw/zinc/05/63/13/185056313.db2.gz MDLXZQAYDWHKRK-CQSZACIVSA-N 1 1 296.436 1.588 50 0 CDAAMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCO1 ZINC000096001655 185062137 /nfs/dbraw/zinc/06/21/37/185062137.db2.gz DOOKIRHLMULCLK-LLVKDONJSA-N 1 1 251.330 1.302 50 0 CDAAMO CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000096007047 185063370 /nfs/dbraw/zinc/06/33/70/185063370.db2.gz WOSASUFEKXCFII-HNNXBMFYSA-N 1 1 262.353 1.279 50 0 CDAAMO Cc1nn(C)cc1NC(=O)NCC[C@H]1CCC[N@H+]1C ZINC000096131947 185105055 /nfs/dbraw/zinc/10/50/55/185105055.db2.gz NVCXRCGHFQXPKV-LLVKDONJSA-N 1 1 265.361 1.334 50 0 CDAAMO CCc1ccc(C[N@@H+](C)C[C@@H](C)n2cncn2)nc1 ZINC000244659545 361854966 /nfs/dbraw/zinc/85/49/66/361854966.db2.gz HEOJGAVMHSPJGU-GFCCVEGCSA-N 1 1 259.357 1.929 50 0 CDAAMO O[C@H]1C[C@@H](c2cc(NCCc3[nH]cc[nH+]3)ncn2)C1 ZINC000244673910 361855738 /nfs/dbraw/zinc/85/57/38/361855738.db2.gz HXXBUASUZXPXCL-AOOOYVTPSA-N 1 1 259.313 1.093 50 0 CDAAMO CCc1[nH+]ccn1CC(=O)N(C)C1CCSCC1 ZINC000244708211 361858394 /nfs/dbraw/zinc/85/83/94/361858394.db2.gz KPMQSGPLVLQJJT-UHFFFAOYSA-N 1 1 267.398 1.800 50 0 CDAAMO CC(C)c1nc(CN2CC[N@H+]3CCCC[C@H]3C2)no1 ZINC000244690848 361856797 /nfs/dbraw/zinc/85/67/97/361856797.db2.gz IYAIXZNKVAJVJV-LBPRGKRZSA-N 1 1 264.373 1.863 50 0 CDAAMO C[C@H]1C[N@H+](Cc2nnc(-c3cccnc3)o2)CCCO1 ZINC000244678873 361856821 /nfs/dbraw/zinc/85/68/21/361856821.db2.gz ILQKFAFHBIERBL-NSHDSACASA-N 1 1 274.324 1.742 50 0 CDAAMO C[C@H]1C[N@@H+](Cc2nnc(-c3cccnc3)o2)CCCO1 ZINC000244678873 361856827 /nfs/dbraw/zinc/85/68/27/361856827.db2.gz ILQKFAFHBIERBL-NSHDSACASA-N 1 1 274.324 1.742 50 0 CDAAMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCCO1 ZINC000244724381 361860922 /nfs/dbraw/zinc/86/09/22/361860922.db2.gz MSURDZLHXSMUEE-GFCCVEGCSA-N 1 1 263.341 1.521 50 0 CDAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCO1 ZINC000252668952 361888201 /nfs/dbraw/zinc/88/82/01/361888201.db2.gz FZYFPWXUJAGXBU-CHWSQXEVSA-N 1 1 254.374 1.498 50 0 CDAAMO C[N@@H+](Cc1ccc(=O)[nH]c1)CC(C)(C)CN1CCOCC1 ZINC000585140849 342218813 /nfs/dbraw/zinc/21/88/13/342218813.db2.gz KBHRIUYRYSVSQJ-UHFFFAOYSA-N 1 1 293.411 1.577 50 0 CDAAMO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ncn(C)n1 ZINC000585141245 342219029 /nfs/dbraw/zinc/21/90/29/342219029.db2.gz SBVUYPHQWBJWGI-KGLIPLIRSA-N 1 1 285.395 1.992 50 0 CDAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000670446862 539114296 /nfs/dbraw/zinc/11/42/96/539114296.db2.gz ITJHXSCDOMZCGN-LLVKDONJSA-N 1 1 280.343 1.792 50 0 CDAAMO O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000585132448 362057373 /nfs/dbraw/zinc/05/73/73/362057373.db2.gz WXOMAVJXOMEHDS-VNHYZAJKSA-N 1 1 280.412 1.671 50 0 CDAAMO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)ccc1F ZINC000187154006 362336648 /nfs/dbraw/zinc/33/66/48/362336648.db2.gz QYFVFOUZKRQRFB-SNVBAGLBSA-N 1 1 272.345 1.117 50 0 CDAAMO C[N@H+]1CCC[C@@H]1CCN(CCO)Cc1ccco1 ZINC000252502810 362390256 /nfs/dbraw/zinc/39/02/56/362390256.db2.gz UTHVBBAUFHCBIB-CYBMUJFWSA-N 1 1 252.358 1.558 50 0 CDAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)C1(CO)CC1 ZINC000584896240 349357249 /nfs/dbraw/zinc/35/72/49/349357249.db2.gz QSIPNTKTWQNKJS-UHFFFAOYSA-N 1 1 254.374 1.092 50 0 CDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCOc1ccccc1 ZINC000584891266 349350204 /nfs/dbraw/zinc/35/02/04/349350204.db2.gz VQWCBNCXVFYFMQ-GJZGRUSLSA-N 1 1 292.379 1.291 50 0 CDAAMO C[NH+]1CCN(CC2(CNc3ccncc3F)CC2)CC1 ZINC000584895229 349355852 /nfs/dbraw/zinc/35/58/52/349355852.db2.gz PQNUDNHHNKTZHP-UHFFFAOYSA-N 1 1 278.375 1.082 50 0 CDAAMO COCCC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584895756 349356057 /nfs/dbraw/zinc/35/60/57/349356057.db2.gz DJVIXZYCTIWBSD-UHFFFAOYSA-N 1 1 268.401 1.890 50 0 CDAAMO C[C@H](C[NH+]1CCCCCC1)NCCc1cnn(C)c1 ZINC000584898419 349359587 /nfs/dbraw/zinc/35/95/87/349359587.db2.gz WYFXWDFKOBZBQN-CQSZACIVSA-N 1 1 264.417 1.817 50 0 CDAAMO CC(C)C[N@H+]1CC[C@H](Cn2cc(-c3nccn3C)nn2)C1 ZINC000091563461 180192934 /nfs/dbraw/zinc/19/29/34/180192934.db2.gz LXKKWUBHOZAMGC-ZDUSSCGKSA-N 1 1 288.399 1.657 50 0 CDAAMO CCc1[nH+]ccn1CCCNc1cc(COC)ncn1 ZINC000091625596 180209334 /nfs/dbraw/zinc/20/93/34/180209334.db2.gz POYUBPTXIVMEQZ-UHFFFAOYSA-N 1 1 275.356 1.884 50 0 CDAAMO Cn1ccnc1SCCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000091745813 180244691 /nfs/dbraw/zinc/24/46/91/180244691.db2.gz DSUHTTHYCITFIA-GFCCVEGCSA-N 1 1 296.440 1.503 50 0 CDAAMO Nc1cc[nH+]c(N2CC[C@@H](Cc3ccc(CO)cc3)C2)n1 ZINC000091951854 180291601 /nfs/dbraw/zinc/29/16/01/180291601.db2.gz ATWBAVKFIHXWHG-AWEZNQCLSA-N 1 1 284.363 1.620 50 0 CDAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1C ZINC000108331183 186212344 /nfs/dbraw/zinc/21/23/44/186212344.db2.gz GEPLEIFDXSMMMT-KBPBESRZSA-N 1 1 276.380 1.945 50 0 CDAAMO CCOC(=O)C(=O)N1CCC(Cn2cc[nH+]c2CC)CC1 ZINC000062129779 363017498 /nfs/dbraw/zinc/01/74/98/363017498.db2.gz FJPXYDOMSULAFE-UHFFFAOYSA-N 1 1 293.367 1.247 50 0 CDAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000003583654 363173409 /nfs/dbraw/zinc/17/34/09/363173409.db2.gz YSWABPUDJVXWHA-NSHDSACASA-N 1 1 275.352 1.598 50 0 CDAAMO CC[N@@H+](CCO)C[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000062353103 363187204 /nfs/dbraw/zinc/18/72/04/363187204.db2.gz ASRYUTVBLACHBU-GFCCVEGCSA-N 1 1 269.341 1.051 50 0 CDAAMO CCNC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000000393551 355908527 /nfs/dbraw/zinc/90/85/27/355908527.db2.gz LPPPBYXGXSHYQJ-UHFFFAOYSA-N 1 1 261.369 1.116 50 0 CDAAMO CCOc1ccc(N(C)C(=O)[C@@H]([C@@H](C)O)[NH+](C)C)cc1 ZINC000002039712 355958377 /nfs/dbraw/zinc/95/83/77/355958377.db2.gz MCLMACLXARTOSR-BXUZGUMPSA-N 1 1 280.368 1.359 50 0 CDAAMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)C1CC(O)C1 ZINC000097376367 356101873 /nfs/dbraw/zinc/10/18/73/356101873.db2.gz QWUYQRKRVJXHRW-IDKOKCKLSA-N 1 1 283.759 1.517 50 0 CDAAMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)C1CC(O)C1 ZINC000097376367 356101879 /nfs/dbraw/zinc/10/18/79/356101879.db2.gz QWUYQRKRVJXHRW-IDKOKCKLSA-N 1 1 283.759 1.517 50 0 CDAAMO CCN1CC[NH+](C[C@@H](O)COC(C)(C)CC)CC1 ZINC000022917993 356263681 /nfs/dbraw/zinc/26/36/81/356263681.db2.gz PCYIMOFJVYHDKU-CYBMUJFWSA-N 1 1 258.406 1.190 50 0 CDAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(C)CC2)ccc1Cl ZINC000019363136 356482418 /nfs/dbraw/zinc/48/24/18/356482418.db2.gz MFSWSQCIDNMMJJ-ZDUSSCGKSA-N 1 1 298.814 1.636 50 0 CDAAMO CCN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000019528186 356490706 /nfs/dbraw/zinc/49/07/06/356490706.db2.gz WGFUNXCKFXXEAP-UHFFFAOYSA-N 1 1 261.369 1.653 50 0 CDAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H]1CO ZINC000023279987 356639073 /nfs/dbraw/zinc/63/90/73/356639073.db2.gz NXABZMMTJIWKHH-GFCCVEGCSA-N 1 1 281.352 1.669 50 0 CDAAMO C[C@@H](c1nc(-c2ccco2)no1)[NH+]1CCC(C(N)=O)CC1 ZINC000025912389 356685793 /nfs/dbraw/zinc/68/57/93/356685793.db2.gz UQXZOVHOQSTZDN-VIFPVBQESA-N 1 1 290.323 1.588 50 0 CDAAMO CCS(=O)(=O)NCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000095394346 357106542 /nfs/dbraw/zinc/10/65/42/357106542.db2.gz KCAVPDXEUATUIU-UHFFFAOYSA-N 1 1 282.409 1.025 50 0 CDAAMO Cc1n[nH]cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290549048 357220875 /nfs/dbraw/zinc/22/08/75/357220875.db2.gz RSYQCBBFRWUKIQ-UHFFFAOYSA-N 1 1 258.316 1.491 50 0 CDAAMO Cc1n[nH]cc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000290549048 357220878 /nfs/dbraw/zinc/22/08/78/357220878.db2.gz RSYQCBBFRWUKIQ-UHFFFAOYSA-N 1 1 258.316 1.491 50 0 CDAAMO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCCC1 ZINC000055376662 357332003 /nfs/dbraw/zinc/33/20/03/357332003.db2.gz VICFIEVHYJHQAA-GFCCVEGCSA-N 1 1 268.357 1.073 50 0 CDAAMO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCCC1 ZINC000055376662 357332006 /nfs/dbraw/zinc/33/20/06/357332006.db2.gz VICFIEVHYJHQAA-GFCCVEGCSA-N 1 1 268.357 1.073 50 0 CDAAMO Cc1nnc(SCC(=O)NCCCC[NH+]2CCCC2)[nH]1 ZINC000055382909 357332720 /nfs/dbraw/zinc/33/27/20/357332720.db2.gz QHLOAGFFLLIDRM-UHFFFAOYSA-N 1 1 297.428 1.197 50 0 CDAAMO Cc1n[nH]c(SCC(=O)NCCCC[NH+]2CCCC2)n1 ZINC000055382909 357332726 /nfs/dbraw/zinc/33/27/26/357332726.db2.gz QHLOAGFFLLIDRM-UHFFFAOYSA-N 1 1 297.428 1.197 50 0 CDAAMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)NC ZINC000095424701 357349500 /nfs/dbraw/zinc/34/95/00/357349500.db2.gz BDCJDKAZBMTGPU-RYUDHWBXSA-N 1 1 256.390 1.648 50 0 CDAAMO COC(=O)[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000057545478 357359262 /nfs/dbraw/zinc/35/92/62/357359262.db2.gz YITVYXPXJPUFPP-VIFPVBQESA-N 1 1 258.115 1.492 50 0 CDAAMO Cc1cc(N2CCN(C3=NC[C@@H](C)S3)CC2)nc(C)[nH+]1 ZINC000096453735 357476715 /nfs/dbraw/zinc/47/67/15/357476715.db2.gz FOMVWLNITQHYCX-LLVKDONJSA-N 1 1 291.424 1.707 50 0 CDAAMO C[NH+]1CCN(Cc2noc(C[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)CC1 ZINC000067754700 357625021 /nfs/dbraw/zinc/62/50/21/357625021.db2.gz MRBXQVLRHOYTBH-RDBSUJKOSA-N 1 1 288.395 1.572 50 0 CDAAMO CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000188207504 357602205 /nfs/dbraw/zinc/60/22/05/357602205.db2.gz BFIVBXCDDGYCJB-YDHLFZDLSA-N 1 1 297.443 1.974 50 0 CDAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000067714865 357620382 /nfs/dbraw/zinc/62/03/82/357620382.db2.gz GAPFLQYXWFUEKA-CYBMUJFWSA-N 1 1 291.395 1.425 50 0 CDAAMO CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C(C)C)no2)C1 ZINC000067955160 357640112 /nfs/dbraw/zinc/64/01/12/357640112.db2.gz KQBBNSXOQBOCMY-GFCCVEGCSA-N 1 1 265.357 1.756 50 0 CDAAMO COc1cc(C)cc(C[NH2+]Cc2c(N)ncnc2OC)c1 ZINC000095434180 357655228 /nfs/dbraw/zinc/65/52/28/357655228.db2.gz ZWHHOVPWHBFPHH-UHFFFAOYSA-N 1 1 288.351 1.674 50 0 CDAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067921524 357637339 /nfs/dbraw/zinc/63/73/39/357637339.db2.gz FKUSNXIHZLETHW-CYBMUJFWSA-N 1 1 286.379 1.829 50 0 CDAAMO NC(=O)CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091596096 283285065 /nfs/dbraw/zinc/28/50/65/283285065.db2.gz NLUWXSPLABNPIY-JKSUJKDBSA-N 1 1 287.407 1.458 50 0 CDAAMO CC[C@H]1C[N@@H+](CCCO)CCC(=O)N1Cc1ccccc1 ZINC000071754337 357779297 /nfs/dbraw/zinc/77/92/97/357779297.db2.gz VONASJXIEIJQKQ-INIZCTEOSA-N 1 1 290.407 1.882 50 0 CDAAMO C[C@@H](CO)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097080685 357944873 /nfs/dbraw/zinc/94/48/73/357944873.db2.gz RYXDPNHBGUSMKL-AVGNSLFASA-N 1 1 283.416 1.319 50 0 CDAAMO COc1cc(C[N@H+]2CCC[C@]2(C)CO)cc2c1OCCO2 ZINC000097105384 357968356 /nfs/dbraw/zinc/96/83/56/357968356.db2.gz HRVHZNYRPYGGIJ-MRXNPFEDSA-N 1 1 293.363 1.813 50 0 CDAAMO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000097109706 357985020 /nfs/dbraw/zinc/98/50/20/357985020.db2.gz VRXBYAYJWNKVCI-LLVKDONJSA-N 1 1 285.388 1.064 50 0 CDAAMO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)o1 ZINC000097111279 357987111 /nfs/dbraw/zinc/98/71/11/357987111.db2.gz LGYWQIDKSYWKQK-LBPRGKRZSA-N 1 1 273.336 1.950 50 0 CDAAMO C[C@H]1OCCN(CCC[N@H+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000247345915 358007271 /nfs/dbraw/zinc/00/72/71/358007271.db2.gz XVCHFYDJCOZHCD-TUVASFSCSA-N 1 1 270.417 1.595 50 0 CDAAMO C[C@H]1OCC[N@@H+](CCCN2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000247345915 358007275 /nfs/dbraw/zinc/00/72/75/358007275.db2.gz XVCHFYDJCOZHCD-TUVASFSCSA-N 1 1 270.417 1.595 50 0 CDAAMO CO[C@@H](C)CC(=O)Nc1ccc2c(c1)N(C)CC[N@H+](C)C2 ZINC000097046234 358110816 /nfs/dbraw/zinc/11/08/16/358110816.db2.gz STWNYOIDHBAWAS-LBPRGKRZSA-N 1 1 291.395 1.932 50 0 CDAAMO [NH3+][C@@H]1CCN(CCCCOCc2ccccc2)C[C@H]1O ZINC000082107026 358147050 /nfs/dbraw/zinc/14/70/50/358147050.db2.gz GVUGHIPGFNURCH-HZPDHXFCSA-N 1 1 278.396 1.377 50 0 CDAAMO CSCC(=O)N1CCN(c2[nH+]cccc2C)CC1 ZINC000082145779 358149393 /nfs/dbraw/zinc/14/93/93/358149393.db2.gz OCLCMXDHCHIFRK-UHFFFAOYSA-N 1 1 265.382 1.402 50 0 CDAAMO C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H]1c1ccccc1 ZINC000194814127 358541278 /nfs/dbraw/zinc/54/12/78/358541278.db2.gz YTLVKVDVNPNSIH-MNOVXSKESA-N 1 1 254.280 1.813 50 0 CDAAMO COC(C)(C)CNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095355569 358683917 /nfs/dbraw/zinc/68/39/17/358683917.db2.gz ACKVWAJTUOMADJ-CYBMUJFWSA-N 1 1 282.359 1.970 50 0 CDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 ZINC000095392191 358693052 /nfs/dbraw/zinc/69/30/52/358693052.db2.gz MENARUSLONAHOP-UKRRQHHQSA-N 1 1 288.395 1.731 50 0 CDAAMO CC[N@@H+](Cc1cccc(-n2cccn2)c1)[C@H]1COC[C@@H]1O ZINC000097179447 358756503 /nfs/dbraw/zinc/75/65/03/358756503.db2.gz BKUURBBMLMGSGS-HOTGVXAUSA-N 1 1 287.363 1.454 50 0 CDAAMO C[C@]1(O)CC[N@H+](Cc2cncn2C2CCCC2)C[C@@H]1O ZINC000096151810 358709023 /nfs/dbraw/zinc/70/90/23/358709023.db2.gz PJBLINDHXDILEX-GJZGRUSLSA-N 1 1 279.384 1.316 50 0 CDAAMO C[C@]1(O)CC[N@@H+](Cc2cncn2C2CCCC2)C[C@@H]1O ZINC000096151810 358709027 /nfs/dbraw/zinc/70/90/27/358709027.db2.gz PJBLINDHXDILEX-GJZGRUSLSA-N 1 1 279.384 1.316 50 0 CDAAMO C[C@]1(O)CC[N@@H+](CCCCOc2ccccc2)C[C@@H]1O ZINC000096161621 358711301 /nfs/dbraw/zinc/71/13/01/358711301.db2.gz AGBUSNAYHSSIKD-HOTGVXAUSA-N 1 1 279.380 1.663 50 0 CDAAMO C[C@]1(O)CC[N@H+](C2CCc3ccccc3CC2)C[C@@H]1O ZINC000096164915 358712024 /nfs/dbraw/zinc/71/20/24/358712024.db2.gz JHRGLHLISFAANR-IRXDYDNUSA-N 1 1 275.392 1.752 50 0 CDAAMO C[NH+]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000055008633 358720717 /nfs/dbraw/zinc/72/07/17/358720717.db2.gz RHWUBFJXGWSUKV-HWKANZROSA-N 1 1 274.320 1.203 50 0 biogenic CDAAMO Cc1[nH]nc(CN2CCC(O)(C[NH+](C)C)CC2)c1Cl ZINC000097475661 358779199 /nfs/dbraw/zinc/77/91/99/358779199.db2.gz CEJBIMGTSILBQW-UHFFFAOYSA-N 1 1 286.807 1.260 50 0 CDAAMO O[C@H](C[N@H+]1CCC[C@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000247804006 358782434 /nfs/dbraw/zinc/78/24/34/358782434.db2.gz XRHPDPBYXRTUDV-LSDHHAIUSA-N 1 1 290.342 1.615 50 0 CDAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1cn[nH]c1 ZINC000215451617 358889385 /nfs/dbraw/zinc/88/93/85/358889385.db2.gz FHBROHGLDWYPLV-GFCCVEGCSA-N 1 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360163959 /nfs/dbraw/zinc/16/39/59/360163959.db2.gz MXQOHKZACGRJKW-UHFFFAOYSA-N 1 1 269.142 1.381 50 0 CDAAMO C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000248020889 360320198 /nfs/dbraw/zinc/32/01/98/360320198.db2.gz MEUQCTGFRADTET-FRRDWIJNSA-N 1 1 254.374 1.402 50 0 CDAAMO COCc1ccc(C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000179657926 189211350 /nfs/dbraw/zinc/21/13/50/189211350.db2.gz VZLJYMUSVFFZGR-UHFFFAOYSA-N 1 1 250.342 1.529 50 0 CDAAMO CCCn1c(C)c[nH+]c1CCNC(=O)c1ccccn1 ZINC000575317133 363984566 /nfs/dbraw/zinc/98/45/66/363984566.db2.gz BWVFZOWETJKMLI-UHFFFAOYSA-N 1 1 272.352 1.969 50 0 CDAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000014708197 364399672 /nfs/dbraw/zinc/39/96/72/364399672.db2.gz CILZFMRUEVXBPF-UHFFFAOYSA-N 1 1 287.363 1.024 50 0 CDAAMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000271181702 364964081 /nfs/dbraw/zinc/96/40/81/364964081.db2.gz ZWEKZEPGBGDIHB-GFCCVEGCSA-N 1 1 274.372 1.411 50 0 CDAAMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 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C[N@H+]1CCCN(c2cncc(Br)c2)CC1 ZINC000083877983 368266655 /nfs/dbraw/zinc/26/66/55/368266655.db2.gz ZKCNVPPSUNPPDJ-UHFFFAOYSA-N 1 1 270.174 1.986 50 0 CDAAMO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000076088317 369492277 /nfs/dbraw/zinc/49/22/77/369492277.db2.gz DBSHYGAXSQOWOI-DZGCQCFKSA-N 1 1 295.427 1.681 50 0 CDAAMO CC[C@H](c1nnc(SCC(=O)N(C)C)o1)[NH+](C)C ZINC000003396126 369528691 /nfs/dbraw/zinc/52/86/91/369528691.db2.gz PZUIKDMWNYFRRF-MRVPVSSYSA-N 1 1 272.374 1.263 50 0 CDAAMO CC(C)C[N@H+]1CCO[C@@H](CNCc2cocn2)C1 ZINC000192280868 371837806 /nfs/dbraw/zinc/83/78/06/371837806.db2.gz JJSIJXKSZCHBIP-ZDUSSCGKSA-N 1 1 253.346 1.121 50 0 CDAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+](C)[C@H](C)C(N)=O)[nH]c12 ZINC000299788041 372762214 /nfs/dbraw/zinc/76/22/14/372762214.db2.gz RAOFPJROWAJWAM-LLVKDONJSA-N 1 1 287.363 1.863 50 0 CDAAMO Cc1ccc(C)c2c(=O)cc(C[N@H+](C)[C@H](C)C(N)=O)[nH]c12 ZINC000299788041 372762219 /nfs/dbraw/zinc/76/22/19/372762219.db2.gz RAOFPJROWAJWAM-LLVKDONJSA-N 1 1 287.363 1.863 50 0 CDAAMO CC[N@H+]1CCC[C@H]1Cn1c(N)c2ccccc2nc1=O ZINC000253524076 373865319 /nfs/dbraw/zinc/86/53/19/373865319.db2.gz SARPHHGOECHQAD-NSHDSACASA-N 1 1 272.352 1.706 50 0 CDAAMO CCc1cc(C)nc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1 ZINC000108391762 412829396 /nfs/dbraw/zinc/82/93/96/412829396.db2.gz LWDADUFETCNMSC-HNNXBMFYSA-N 1 1 292.427 1.894 50 0 CDAAMO CC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000019794613 374791015 /nfs/dbraw/zinc/79/10/15/374791015.db2.gz RZORBVKDIJYNHO-UHFFFAOYSA-N 1 1 272.352 1.874 50 0 CDAAMO CN(CC(N)=O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000095351044 374888420 /nfs/dbraw/zinc/88/84/20/374888420.db2.gz TXFWJBFBKDYQBV-UHFFFAOYSA-N 1 1 289.423 1.706 50 0 CDAAMO CCOc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1F ZINC000278474451 374844098 /nfs/dbraw/zinc/84/40/98/374844098.db2.gz RCGZINOZKHVHIR-UHFFFAOYSA-N 1 1 295.358 1.811 50 0 CDAAMO CCOc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1F ZINC000278474451 374844108 /nfs/dbraw/zinc/84/41/08/374844108.db2.gz RCGZINOZKHVHIR-UHFFFAOYSA-N 1 1 295.358 1.811 50 0 CDAAMO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000095441584 374943231 /nfs/dbraw/zinc/94/32/31/374943231.db2.gz VZDRSRHMPJILQR-CYBMUJFWSA-N 1 1 280.343 2.000 50 0 CDAAMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000095441584 374943234 /nfs/dbraw/zinc/94/32/34/374943234.db2.gz VZDRSRHMPJILQR-CYBMUJFWSA-N 1 1 280.343 2.000 50 0 CDAAMO CCOc1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1OC ZINC000003349043 375656994 /nfs/dbraw/zinc/65/69/94/375656994.db2.gz JWHDXCQOJDZMGN-UHFFFAOYSA-N 1 1 292.379 1.804 50 0 CDAAMO CCOc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1OC ZINC000003349043 375656998 /nfs/dbraw/zinc/65/69/98/375656998.db2.gz JWHDXCQOJDZMGN-UHFFFAOYSA-N 1 1 292.379 1.804 50 0 CDAAMO CCOCC[N@H+]1CCN(CCCN2CCCC2=O)C[C@H]1C ZINC000241588493 376019371 /nfs/dbraw/zinc/01/93/71/376019371.db2.gz PDPMZOJXUUQDAN-OAHLLOKOSA-N 1 1 297.443 1.042 50 0 CDAAMO CCOCCN1CC[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC000241588493 376019380 /nfs/dbraw/zinc/01/93/80/376019380.db2.gz PDPMZOJXUUQDAN-OAHLLOKOSA-N 1 1 297.443 1.042 50 0 CDAAMO CCOCCN1CC[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC000241588493 376019391 /nfs/dbraw/zinc/01/93/91/376019391.db2.gz PDPMZOJXUUQDAN-OAHLLOKOSA-N 1 1 297.443 1.042 50 0 CDAAMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccs2)C1 ZINC000066652271 376508402 /nfs/dbraw/zinc/50/84/02/376508402.db2.gz XSHJYLFIEVKNJK-NSHDSACASA-N 1 1 252.383 1.749 50 0 CDAAMO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000012767788 376575661 /nfs/dbraw/zinc/57/56/61/376575661.db2.gz PRZHZJIVQZLRFI-BDAKNGLRSA-N 1 1 299.321 1.850 50 0 CDAAMO COCC[N@H+]1CCN(Cc2cc(C)on2)C[C@@H]1C ZINC000106776616 532967106 /nfs/dbraw/zinc/96/71/06/532967106.db2.gz JZFDAHVGYDUEBI-NSHDSACASA-N 1 1 253.346 1.136 50 0 CDAAMO CCOC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000000280142 390135947 /nfs/dbraw/zinc/13/59/47/390135947.db2.gz NJZXHMXKZPLVHU-UHFFFAOYSA-N 1 1 268.401 1.746 50 0 CDAAMO CCn1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cn1 ZINC000092936873 390509812 /nfs/dbraw/zinc/50/98/12/390509812.db2.gz DJPWQTZQZBRZQA-CYBMUJFWSA-N 1 1 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C[N@H+]1CCC[C@H](C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000215431377 358889039 /nfs/dbraw/zinc/88/90/39/358889039.db2.gz MGBCUHGBNCDBFB-ZDUSSCGKSA-N 1 1 299.378 1.430 50 0 CDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000084544277 358895576 /nfs/dbraw/zinc/89/55/76/358895576.db2.gz IVIBLNMCABFZNA-OAHLLOKOSA-N 1 1 297.443 1.975 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)N(C)Cc1cccnc1 ZINC000216137393 358927520 /nfs/dbraw/zinc/92/75/20/358927520.db2.gz CFTAIPBYKGEIGT-UHFFFAOYSA-N 1 1 272.352 1.889 50 0 CDAAMO CC[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000219740996 359119258 /nfs/dbraw/zinc/11/92/58/359119258.db2.gz HVJLSHAICMNFPB-SNVBAGLBSA-N 1 1 266.316 1.658 50 0 CDAAMO OCCC[C@@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000247862417 359192967 /nfs/dbraw/zinc/19/29/67/359192967.db2.gz NCIBJVVAJGTZMR-UONOGXRCSA-N 1 1 257.374 1.419 50 0 CDAAMO CC[C@H](NC(=O)CCC[NH+]1CCOCC1)c1nccs1 ZINC000220397756 359170569 /nfs/dbraw/zinc/17/05/69/359170569.db2.gz LEDUHIQIUGROEB-LBPRGKRZSA-N 1 1 297.424 1.823 50 0 CDAAMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC000220409699 359172629 /nfs/dbraw/zinc/17/26/29/359172629.db2.gz BHJKSQOTUNGYTM-SECBINFHSA-N 1 1 256.708 1.913 50 0 CDAAMO CCn1ccnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000247940135 360257032 /nfs/dbraw/zinc/25/70/32/360257032.db2.gz MWQRMJZYCDNCBN-LSDHHAIUSA-N 1 1 290.411 1.878 50 0 CDAAMO CCn1ccnc1C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000247940135 360257037 /nfs/dbraw/zinc/25/70/37/360257037.db2.gz MWQRMJZYCDNCBN-LSDHHAIUSA-N 1 1 290.411 1.878 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H](C)OC ZINC000248143586 360405398 /nfs/dbraw/zinc/40/53/98/360405398.db2.gz CVIZYKPQJFKNKM-MGPQQGTHSA-N 1 1 268.401 1.887 50 0 CDAAMO c1c(CN2CCC3(CC2)C[NH2+]CCO3)[nH]nc1C1CC1 ZINC000426490783 360675555 /nfs/dbraw/zinc/67/55/55/360675555.db2.gz YIBDHIDRPGRVSH-UHFFFAOYSA-N 1 1 276.384 1.242 50 0 CDAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000034863000 361393417 /nfs/dbraw/zinc/39/34/17/361393417.db2.gz YXFJXHIWHYHDEO-KBPBESRZSA-N 1 1 288.391 1.681 50 0 CDAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000034863000 361393424 /nfs/dbraw/zinc/39/34/24/361393424.db2.gz YXFJXHIWHYHDEO-KBPBESRZSA-N 1 1 288.391 1.681 50 0 CDAAMO C[C@@H]1C[N@@H+](C)[C@H](c2ccccc2)C[C@]12NC(=O)NC2=O ZINC000005164407 361564768 /nfs/dbraw/zinc/56/47/68/361564768.db2.gz JIVUQMZFYBMAHJ-GMXABZIVSA-N 1 1 273.336 1.278 50 0 CDAAMO c1cc2c(nc[nH+]c2N2CCn3c(nnc3C3CC3)C2)[nH]1 ZINC000089765067 366930281 /nfs/dbraw/zinc/93/02/81/366930281.db2.gz YLTVJDUFTCBRGV-UHFFFAOYSA-N 1 1 281.323 1.447 50 0 CDAAMO COCc1nc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cs1 ZINC000089938826 366972733 /nfs/dbraw/zinc/97/27/33/366972733.db2.gz OORGKXPUGYFXEC-VIFPVBQESA-N 1 1 269.370 1.066 50 0 CDAAMO COCc1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cs1 ZINC000089938826 366972739 /nfs/dbraw/zinc/97/27/39/366972739.db2.gz OORGKXPUGYFXEC-VIFPVBQESA-N 1 1 269.370 1.066 50 0 CDAAMO CCOCCC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000089986864 367003926 /nfs/dbraw/zinc/00/39/26/367003926.db2.gz MIKDQKMVDYGVPZ-CQSZACIVSA-N 1 1 298.427 1.420 50 0 CDAAMO CCOCCC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000089986864 367003934 /nfs/dbraw/zinc/00/39/34/367003934.db2.gz MIKDQKMVDYGVPZ-CQSZACIVSA-N 1 1 298.427 1.420 50 0 CDAAMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccccn1 ZINC000090089619 367013547 /nfs/dbraw/zinc/01/35/47/367013547.db2.gz ZQMHSMJIWOOBOK-OLZOCXBDSA-N 1 1 290.367 1.456 50 0 CDAAMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccccn1 ZINC000090089619 367013556 /nfs/dbraw/zinc/01/35/56/367013556.db2.gz ZQMHSMJIWOOBOK-OLZOCXBDSA-N 1 1 290.367 1.456 50 0 CDAAMO COc1cc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000067712568 367286188 /nfs/dbraw/zinc/28/61/88/367286188.db2.gz OXCPIIGJSUMBJR-AWEZNQCLSA-N 1 1 262.357 1.407 50 0 CDAAMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252444249 367432009 /nfs/dbraw/zinc/43/20/09/367432009.db2.gz YOVRCEQNLOHWNK-TUAOUCFPSA-N 1 1 267.373 1.343 50 0 CDAAMO CC(C)COCC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000252496283 367640813 /nfs/dbraw/zinc/64/08/13/367640813.db2.gz PFSLWPPZGOZPSW-GFCCVEGCSA-N 1 1 252.362 1.657 50 0 CDAAMO CC(C)COCC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000252496284 367640906 /nfs/dbraw/zinc/64/09/06/367640906.db2.gz PFSLWPPZGOZPSW-LBPRGKRZSA-N 1 1 252.362 1.657 50 0 CDAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2F)C[C@@H](C)O1 ZINC000016286305 369145959 /nfs/dbraw/zinc/14/59/59/369145959.db2.gz OIWLNRBYJZIGLL-JHJVBQTASA-N 1 1 283.343 1.675 50 0 CDAAMO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cnn[nH]1 ZINC000072171210 284160685 /nfs/dbraw/zinc/16/06/85/284160685.db2.gz MZLBTZFIJOSDAM-CQSZACIVSA-N 1 1 285.351 1.372 50 0 CDAAMO O=C(C[N@H+]1CCSC2(CCCCC2)C1)N1CCOCC1 ZINC000079504023 369855503 /nfs/dbraw/zinc/85/55/03/369855503.db2.gz VYRHBWDWKNDONX-UHFFFAOYSA-N 1 1 298.452 1.597 50 0 CDAAMO CCc1n[nH]cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000298861028 372324824 /nfs/dbraw/zinc/32/48/24/372324824.db2.gz FPKMYMZEMRHGGT-UHFFFAOYSA-N 1 1 298.390 1.760 50 0 CDAAMO CCc1n[nH]cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000298861028 372324833 /nfs/dbraw/zinc/32/48/33/372324833.db2.gz FPKMYMZEMRHGGT-UHFFFAOYSA-N 1 1 298.390 1.760 50 0 CDAAMO COc1cc2c(c(C[NH2+]C3(C(N)=O)CC3)c1)O[C@H](C)C2 ZINC000191484692 373497417 /nfs/dbraw/zinc/49/74/17/373497417.db2.gz ZQMIUJVEJXPPQV-SECBINFHSA-N 1 1 276.336 1.126 50 0 CDAAMO CCC[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CC=CCC2)CCO1 ZINC000253431738 373745606 /nfs/dbraw/zinc/74/56/06/373745606.db2.gz SZEJOWWYBCMIGM-HUUCEWRRSA-N 1 1 280.412 1.960 50 0 CDAAMO c1ccc(C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)nc1 ZINC000049483192 374001298 /nfs/dbraw/zinc/00/12/98/374001298.db2.gz GFLDDQJYAKDSIH-UHFFFAOYSA-N 1 1 294.318 1.521 50 0 CDAAMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[NH+](C(C)C)C3)cc1 ZINC000090394291 374065667 /nfs/dbraw/zinc/06/56/67/374065667.db2.gz WCKZIYFVBIIVJQ-UHFFFAOYSA-N 1 1 294.420 1.710 50 0 CDAAMO Cc1cc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)[nH]n1 ZINC000019227732 374706147 /nfs/dbraw/zinc/70/61/47/374706147.db2.gz YBILIRBYGBYONT-HNNXBMFYSA-N 1 1 294.443 1.633 50 0 CDAAMO Cc1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000019227732 374706152 /nfs/dbraw/zinc/70/61/52/374706152.db2.gz YBILIRBYGBYONT-HNNXBMFYSA-N 1 1 294.443 1.633 50 0 CDAAMO Cc1cc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000019227732 374706156 /nfs/dbraw/zinc/70/61/56/374706156.db2.gz YBILIRBYGBYONT-HNNXBMFYSA-N 1 1 294.443 1.633 50 0 CDAAMO C[NH+](C)C[C@@H]1CCN(C[C@H](O)COCc2cccs2)C1 ZINC000095396853 374902585 /nfs/dbraw/zinc/90/25/85/374902585.db2.gz FDKWJESCJJZBQU-KBPBESRZSA-N 1 1 298.452 1.509 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)n[nH]c1C ZINC000095479228 374970261 /nfs/dbraw/zinc/97/02/61/374970261.db2.gz HCCWOMUUTDPTTI-CYBMUJFWSA-N 1 1 278.400 1.560 50 0 CDAAMO OCC[C@@H]1CN(Cc2cc[nH]n2)CC[N@H+]1C1CCCC1 ZINC000020776690 374997032 /nfs/dbraw/zinc/99/70/32/374997032.db2.gz SYOVIELTPPILJS-OAHLLOKOSA-N 1 1 278.400 1.221 50 0 CDAAMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)nn1 ZINC000282627800 375096505 /nfs/dbraw/zinc/09/65/05/375096505.db2.gz AQBSAJVZXLCSMP-GXTWGEPZSA-N 1 1 287.367 1.765 50 0 CDAAMO CC[N@@H+]1CCCN(CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000095973416 375046535 /nfs/dbraw/zinc/04/65/35/375046535.db2.gz GUHRZKDYXXWCQF-UHFFFAOYSA-N 1 1 288.457 1.229 50 0 CDAAMO CC[N@H+]1CCCN(CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000095973416 375046539 /nfs/dbraw/zinc/04/65/39/375046539.db2.gz GUHRZKDYXXWCQF-UHFFFAOYSA-N 1 1 288.457 1.229 50 0 CDAAMO CCN1CCC[N@H+](CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000095973416 375046542 /nfs/dbraw/zinc/04/65/42/375046542.db2.gz GUHRZKDYXXWCQF-UHFFFAOYSA-N 1 1 288.457 1.229 50 0 CDAAMO CCN1CCC[N@@H+](CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000095973416 375046547 /nfs/dbraw/zinc/04/65/47/375046547.db2.gz GUHRZKDYXXWCQF-UHFFFAOYSA-N 1 1 288.457 1.229 50 0 CDAAMO Cc1n[nH]c(C)c1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627955237 375897086 /nfs/dbraw/zinc/89/70/86/375897086.db2.gz COCAYVIDUQZIKW-UHFFFAOYSA-N 1 1 282.363 1.073 50 0 CDAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000241157265 376016604 /nfs/dbraw/zinc/01/66/04/376016604.db2.gz JWFSIKRIXKYOBV-SYQHCUMBSA-N 1 1 295.427 1.267 50 0 CDAAMO C[C@H](C(=O)NC[C@H](O)c1ccncc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000241316885 376019120 /nfs/dbraw/zinc/01/91/20/376019120.db2.gz LVSAXZWTPIXJDJ-COMQUAJESA-N 1 1 291.395 1.493 50 0 CDAAMO CN1CC[NH+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC000038174461 376294237 /nfs/dbraw/zinc/29/42/37/376294237.db2.gz AHKPKCJWCKWOID-UHFFFAOYSA-N 1 1 264.760 1.964 50 0 CDAAMO CCc1ccc(CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000089286815 376877827 /nfs/dbraw/zinc/87/78/27/376877827.db2.gz FHEKSOXSDITZDC-LBPRGKRZSA-N 1 1 295.452 1.563 50 0 CDAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H]3CCCCO3)[C@H]2C1 ZINC000246596525 376954403 /nfs/dbraw/zinc/95/44/03/376954403.db2.gz MPHNQPNMJZTTOF-KBXIAJHMSA-N 1 1 269.385 1.824 50 0 CDAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000245921239 379361611 /nfs/dbraw/zinc/36/16/11/379361611.db2.gz GZXNPXWMSWDAIP-JHJVBQTASA-N 1 1 294.399 1.646 50 0 CDAAMO COCCNC(=S)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000036847546 285073181 /nfs/dbraw/zinc/07/31/81/285073181.db2.gz FOGGBQFYTSWHRG-RYUDHWBXSA-N 1 1 273.446 1.360 50 0 CDAAMO C[N@@H+]1CCc2c(c3ccccc3n2CCC(N)=O)C1 ZINC000023119805 390404038 /nfs/dbraw/zinc/40/40/38/390404038.db2.gz IEZGCXJLELAQOK-UHFFFAOYSA-N 1 1 257.337 1.505 50 0 CDAAMO C[N@H+]1CCc2c(c3ccccc3n2CCC(N)=O)C1 ZINC000023119805 390404041 /nfs/dbraw/zinc/40/40/41/390404041.db2.gz IEZGCXJLELAQOK-UHFFFAOYSA-N 1 1 257.337 1.505 50 0 CDAAMO C[N@@H+](CC(=O)NCc1ccco1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419605 390513167 /nfs/dbraw/zinc/51/31/67/390513167.db2.gz DNUXTISCYPNPDM-YUELXQCFSA-N 1 1 292.379 1.641 50 0 CDAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn[nH]n1 ZINC000096419359 390513196 /nfs/dbraw/zinc/51/31/96/390513196.db2.gz XLAJFVVFGVHGFN-ZDUSSCGKSA-N 1 1 299.378 1.541 50 0 CDAAMO Cc1cccc(NC2CCN(S(=O)(=O)N(C)C)CC2)[nH+]1 ZINC000096420449 390514293 /nfs/dbraw/zinc/51/42/93/390514293.db2.gz MOVUBMGDRJWDNN-UHFFFAOYSA-N 1 1 298.412 1.073 50 0 CDAAMO CC(=O)N1CCC(N(C)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000065371147 390550299 /nfs/dbraw/zinc/55/02/99/390550299.db2.gz HWWWWDSHDWFZSG-CQSZACIVSA-N 1 1 281.444 1.804 50 0 CDAAMO CC(=O)N1CCC([N@@H+](C)CCN2CCCC[C@H]2C)CC1 ZINC000065371147 390550304 /nfs/dbraw/zinc/55/03/04/390550304.db2.gz HWWWWDSHDWFZSG-CQSZACIVSA-N 1 1 281.444 1.804 50 0 CDAAMO CC(=O)N1CCC([N@H+](C)CCN2CCCC[C@H]2C)CC1 ZINC000065371147 390550307 /nfs/dbraw/zinc/55/03/07/390550307.db2.gz HWWWWDSHDWFZSG-CQSZACIVSA-N 1 1 281.444 1.804 50 0 CDAAMO CCOc1cccc(OCC[N@H+]2CC[C@@H](C(=O)NC)C2)c1 ZINC000065532561 390552614 /nfs/dbraw/zinc/55/26/14/390552614.db2.gz ZBSZKEGQNGBHTA-CYBMUJFWSA-N 1 1 292.379 1.532 50 0 CDAAMO CCCc1ncncc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000215951902 391002274 /nfs/dbraw/zinc/00/22/74/391002274.db2.gz TXWUEFKGLDLWNT-LLVKDONJSA-N 1 1 262.357 1.205 50 0 CDAAMO CN1CCC[N@H+](C)CC12CCN(Cc1ccncc1)CC2 ZINC000216080099 391004895 /nfs/dbraw/zinc/00/48/95/391004895.db2.gz BCJKBGLODGDKSL-UHFFFAOYSA-N 1 1 288.439 1.684 50 0 CDAAMO CN1CCC[N@@H+](C)CC12CCN(Cc1ccncc1)CC2 ZINC000216080099 391004898 /nfs/dbraw/zinc/00/48/98/391004898.db2.gz BCJKBGLODGDKSL-UHFFFAOYSA-N 1 1 288.439 1.684 50 0 CDAAMO Cc1nn[nH]c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000189002892 391313408 /nfs/dbraw/zinc/31/34/08/391313408.db2.gz XDGXMMNGOPZJRR-UHFFFAOYSA-N 1 1 277.372 1.061 50 0 CDAAMO Cc1cnn(C)c1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000285885665 391522982 /nfs/dbraw/zinc/52/29/82/391522982.db2.gz JTJDFHWUJSQTMB-INIZCTEOSA-N 1 1 287.363 1.488 50 0 CDAAMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)C(=O)NC1CCCC1 ZINC000020300540 391585441 /nfs/dbraw/zinc/58/54/41/391585441.db2.gz ZWGSMRCMUMXBCS-JSGCOSHPSA-N 1 1 267.417 1.508 50 0 CDAAMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)C(=O)NC1CCCC1 ZINC000020300540 391585445 /nfs/dbraw/zinc/58/54/45/391585445.db2.gz ZWGSMRCMUMXBCS-JSGCOSHPSA-N 1 1 267.417 1.508 50 0 CDAAMO COC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245344214 131085192 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COC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000179800932 372308011 /nfs/dbraw/zinc/30/80/11/372308011.db2.gz MWFXZRSVIJKOGP-CYBMUJFWSA-N 1 1 261.325 1.410 50 0 CDAAMO COC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000179800932 372308018 /nfs/dbraw/zinc/30/80/18/372308018.db2.gz MWFXZRSVIJKOGP-CYBMUJFWSA-N 1 1 261.325 1.410 50 0 CDAAMO COC(=O)[C@]1(C)C[C@@H](CO)[C@H](c2cccs2)[N@@H+]1C ZINC000034785207 372340836 /nfs/dbraw/zinc/34/08/36/372340836.db2.gz KKFUGEBPCPHMNW-NDMJEZRESA-N 1 1 269.366 1.665 50 0 CDAAMO COC(=O)[C@]1(C)C[C@@H](CO)[C@H](c2cccs2)[N@H+]1C ZINC000034785207 372340839 /nfs/dbraw/zinc/34/08/39/372340839.db2.gz KKFUGEBPCPHMNW-NDMJEZRESA-N 1 1 269.366 1.665 50 0 CDAAMO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)o1 ZINC000299785959 372761693 /nfs/dbraw/zinc/76/16/93/372761693.db2.gz MXACHBNRXPGULQ-GJZGRUSLSA-N 1 1 288.351 1.779 50 0 CDAAMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)o1 ZINC000299785959 372761702 /nfs/dbraw/zinc/76/17/02/372761702.db2.gz 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374935730 /nfs/dbraw/zinc/93/57/30/374935730.db2.gz YHOWLEHHSVVSAG-LLVKDONJSA-N 1 1 298.346 1.531 50 0 CDAAMO Cc1[nH]ncc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000097160053 375150279 /nfs/dbraw/zinc/15/02/79/375150279.db2.gz KJLHOAWXKHROTE-CQSZACIVSA-N 1 1 296.440 1.016 50 0 CDAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000031337917 375780649 /nfs/dbraw/zinc/78/06/49/375780649.db2.gz XWCOUWOCHPJEBZ-UHFFFAOYSA-N 1 1 281.359 1.870 50 0 CDAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000031337917 375780653 /nfs/dbraw/zinc/78/06/53/375780653.db2.gz XWCOUWOCHPJEBZ-UHFFFAOYSA-N 1 1 281.359 1.870 50 0 CDAAMO CN(C)c1noc([C@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)n1 ZINC000240423790 376016670 /nfs/dbraw/zinc/01/66/70/376016670.db2.gz FQVBKBXGCOUVMQ-VXGBXAGGSA-N 1 1 278.356 1.965 50 0 CDAAMO CN(C)c1noc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)n1 ZINC000240423790 376016675 /nfs/dbraw/zinc/01/66/75/376016675.db2.gz FQVBKBXGCOUVMQ-VXGBXAGGSA-N 1 1 278.356 1.965 50 0 CDAAMO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000096424263 390516059 /nfs/dbraw/zinc/51/60/59/390516059.db2.gz CMYIVAGGFPSYIM-SNVBAGLBSA-N 1 1 282.306 1.102 50 0 CDAAMO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000096424263 390516063 /nfs/dbraw/zinc/51/60/63/390516063.db2.gz CMYIVAGGFPSYIM-SNVBAGLBSA-N 1 1 282.306 1.102 50 0 CDAAMO CC(=O)N1CCC([N@@H+](CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000065467276 390551495 /nfs/dbraw/zinc/55/14/95/390551495.db2.gz YNASXABFAISIMP-MRXNPFEDSA-N 1 1 297.443 1.040 50 0 CDAAMO CC(=O)N1CCC(N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000065467276 390551500 /nfs/dbraw/zinc/55/15/00/390551500.db2.gz YNASXABFAISIMP-MRXNPFEDSA-N 1 1 297.443 1.040 50 0 CDAAMO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)C1=O ZINC000095406530 393148264 /nfs/dbraw/zinc/14/82/64/393148264.db2.gz QZQVVSPQQYPQHH-STQMWFEESA-N 1 1 254.374 1.354 50 0 CDAAMO Cc1nc(Cl)cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000096429712 393187013 /nfs/dbraw/zinc/18/70/13/393187013.db2.gz YQLAUHMPZUVBHF-LBPRGKRZSA-N 1 1 296.802 1.597 50 0 CDAAMO Cc1cc(NC(=O)C[NH+](C)C)cnc1N1CCCCC1 ZINC000097100788 397966848 /nfs/dbraw/zinc/96/68/48/397966848.db2.gz SIVRWSVVXGPQSG-UHFFFAOYSA-N 1 1 276.384 1.880 50 0 CDAAMO CN1CCN(C(=O)C[N@H+]2CCC3(CCCC3)C2)CC1 ZINC000093177441 147037962 /nfs/dbraw/zinc/03/79/62/147037962.db2.gz FBWTWQMGIDVXAN-UHFFFAOYSA-N 1 1 265.401 1.027 50 0 CDAAMO CS(=O)(=O)c1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000067974836 286639887 /nfs/dbraw/zinc/63/98/87/286639887.db2.gz MXELOOATFZLEIV-GFCCVEGCSA-N 1 1 277.349 1.048 50 0 CDAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000005073609 170064524 /nfs/dbraw/zinc/06/45/24/170064524.db2.gz HCCKNZYVNMCZOW-OLZOCXBDSA-N 1 1 293.363 1.887 50 0 CDAAMO Cc1cc(C)c(NC(=O)CN2CC[NH+](C)CC2)c(C)c1 ZINC000019202446 170754659 /nfs/dbraw/zinc/75/46/59/170754659.db2.gz PXVVMMJYWALWCS-UHFFFAOYSA-N 1 1 275.396 1.798 50 0 CDAAMO C[NH+]1CCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000020156162 171038766 /nfs/dbraw/zinc/03/87/66/171038766.db2.gz QFYORSBJBQHVOB-UHFFFAOYSA-N 1 1 253.733 1.310 50 0 CDAAMO C[C@H](C1CCN(Cc2ccnn2C)CC1)[NH+]1CCOCC1 ZINC000020272418 171127251 /nfs/dbraw/zinc/12/72/51/171127251.db2.gz YCTOBBHQDAKAFZ-CQSZACIVSA-N 1 1 292.427 1.353 50 0 CDAAMO CCC(=O)c1ccccc1OCCN1CC[NH+](C)CC1 ZINC000020652689 171268737 /nfs/dbraw/zinc/26/87/37/171268737.db2.gz WTSCCYPWWSYFTA-UHFFFAOYSA-N 1 1 276.380 1.906 50 0 CDAAMO CCCc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)o1 ZINC000072157027 176328711 /nfs/dbraw/zinc/32/87/11/176328711.db2.gz WZUFRTLZYJTPRI-RISCZKNCSA-N 1 1 253.342 1.407 50 0 CDAAMO O=C1NC[C@]2(CCC[N@H+](Cc3nccs3)CC2)O1 ZINC000072161056 176329869 /nfs/dbraw/zinc/32/98/69/176329869.db2.gz ALXWYYVFEVHIIV-GFCCVEGCSA-N 1 1 267.354 1.608 50 0 CDAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3nccs3)CC2)O1 ZINC000072161056 176329870 /nfs/dbraw/zinc/32/98/70/176329870.db2.gz ALXWYYVFEVHIIV-GFCCVEGCSA-N 1 1 267.354 1.608 50 0 CDAAMO O=C([O-])[C@H]1CC2(C[N@@H+]1Cc1cccc(O)c1)CC[NH2+]CC2 ZINC000072163443 176330373 /nfs/dbraw/zinc/33/03/73/176330373.db2.gz QPKDCJJNEIIWHJ-CQSZACIVSA-N 1 1 290.363 1.421 50 0 CDAAMO CCCCCS(=O)(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000095465348 276228261 /nfs/dbraw/zinc/22/82/61/276228261.db2.gz PZADEZOKMJRUSP-ZDUSSCGKSA-N 1 1 292.445 1.207 50 0 CDAAMO C[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000408494357 277052301 /nfs/dbraw/zinc/05/23/01/277052301.db2.gz FFUYMOZKEWZFJU-UHFFFAOYSA-N 1 1 292.774 1.662 50 0 CDAAMO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cccn1-c1ccccn1 ZINC000065454200 279181544 /nfs/dbraw/zinc/18/15/44/279181544.db2.gz HRKJDNMIXBDWBC-CYBMUJFWSA-N 1 1 286.379 1.781 50 0 CDAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cccn1-c1ccccn1 ZINC000065454200 279181545 /nfs/dbraw/zinc/18/15/45/279181545.db2.gz HRKJDNMIXBDWBC-CYBMUJFWSA-N 1 1 286.379 1.781 50 0 CDAAMO Cc1cc(F)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1F ZINC000193354362 280513253 /nfs/dbraw/zinc/51/32/53/280513253.db2.gz OXJGRBJIYLZRAU-SECBINFHSA-N 1 1 290.335 1.256 50 0 CDAAMO C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000299750538 289388245 /nfs/dbraw/zinc/38/82/45/289388245.db2.gz NTCABUITIDBDLJ-ZIAGYGMSSA-N 1 1 268.401 1.903 50 0 CDAAMO Cc1nnsc1CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000576994116 317245841 /nfs/dbraw/zinc/24/58/41/317245841.db2.gz KFRRHFSUMORFTP-UHFFFAOYSA-N 1 1 298.456 1.637 50 0 CDAAMO Cc1nnsc1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000576994116 317245844 /nfs/dbraw/zinc/24/58/44/317245844.db2.gz KFRRHFSUMORFTP-UHFFFAOYSA-N 1 1 298.456 1.637 50 0 CDAAMO Cc1nnsc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000576994116 317245847 /nfs/dbraw/zinc/24/58/47/317245847.db2.gz KFRRHFSUMORFTP-UHFFFAOYSA-N 1 1 298.456 1.637 50 0 CDAAMO c1sc(-c2cnccn2)nc1C[NH2+][C@H]1CCOC1 ZINC000534585000 328314886 /nfs/dbraw/zinc/31/48/86/328314886.db2.gz NHHBHXVYQGACBU-VIFPVBQESA-N 1 1 262.338 1.479 50 0 CDAAMO CSC[C@@H](C)[NH2+]CC1(CN2CCN(C)CC2)CC1 ZINC000534635496 328333528 /nfs/dbraw/zinc/33/35/28/328333528.db2.gz DBKLUFGOJBREFS-CYBMUJFWSA-N 1 1 271.474 1.355 50 0 CDAAMO COCC1(CNC(=O)[C@H](C)n2cc[nH+]c2C)CC1 ZINC000534649874 328336227 /nfs/dbraw/zinc/33/62/27/328336227.db2.gz RSKYDUKMNWZFSE-JTQLQIEISA-N 1 1 251.330 1.295 50 0 CDAAMO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000534658761 328341260 /nfs/dbraw/zinc/34/12/60/328341260.db2.gz UAYUMKPLECDVQW-ZFWWWQNUSA-N 1 1 293.411 1.748 50 0 CDAAMO CC(C)c1cc(CNC(=O)CCC[NH+]2CCOCC2)no1 ZINC000534668507 328346456 /nfs/dbraw/zinc/34/64/56/328346456.db2.gz YPSQIOVLBPQMSM-UHFFFAOYSA-N 1 1 295.383 1.527 50 0 CDAAMO CC[N@H+]1C[C@H](NC(=O)c2ccccc2SC)[C@@H](OC)C1 ZINC000534672401 328347975 /nfs/dbraw/zinc/34/79/75/328347975.db2.gz NCCAPGCDFJVEHQ-STQMWFEESA-N 1 1 294.420 1.857 50 0 CDAAMO CN(C)c1nccc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000097237246 323207832 /nfs/dbraw/zinc/20/78/32/323207832.db2.gz QVQUWIYBJGVCTK-CYBMUJFWSA-N 1 1 264.373 1.544 50 0 CDAAMO CN(C)c1nccc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000097237246 323207834 /nfs/dbraw/zinc/20/78/34/323207834.db2.gz QVQUWIYBJGVCTK-CYBMUJFWSA-N 1 1 264.373 1.544 50 0 CDAAMO CC1([C@@H]2CCC[N@@H+](CCn3ccnc3)C2)OCCO1 ZINC000097086634 482455802 /nfs/dbraw/zinc/45/58/02/482455802.db2.gz LNWJLJDCPXHLCS-CYBMUJFWSA-N 1 1 265.357 1.358 50 0 CDAAMO Cc1n[nH]cc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000097159194 482458990 /nfs/dbraw/zinc/45/89/90/482458990.db2.gz VCUIKWJXFUBIJG-UHFFFAOYSA-N 1 1 287.367 1.240 50 0 CDAAMO O=C1CC[C@H]([N@H+]2CCc3nocc3C2)CCN1CC1CC1 ZINC000670440216 482985701 /nfs/dbraw/zinc/98/57/01/482985701.db2.gz KHFPKXGMLZSGPL-AWEZNQCLSA-N 1 1 289.379 1.824 50 0 CDAAMO COc1nc(NCCC[N@H+]2CCC[C@@H](CO)C2)ncc1F ZINC000670445934 482995062 /nfs/dbraw/zinc/99/50/62/482995062.db2.gz BRBYUAXEZLHCDW-LLVKDONJSA-N 1 1 298.362 1.131 50 0 CDAAMO Cc1nc(C[N@@H+]2CCC[C@](C)(CO)C2)n(C)c1C ZINC000670455422 483028400 /nfs/dbraw/zinc/02/84/00/483028400.db2.gz PPEUHWWSTSZZQZ-AWEZNQCLSA-N 1 1 251.374 1.631 50 0 CDAAMO Cc1nc(C[N@H+]2CCC[C@](C)(CO)C2)n(C)c1C ZINC000670455422 483028407 /nfs/dbraw/zinc/02/84/07/483028407.db2.gz PPEUHWWSTSZZQZ-AWEZNQCLSA-N 1 1 251.374 1.631 50 0 CDAAMO CCCCc1ncc(C[N@@H+](C)C[C@@H]2CC(=O)N(C)C2)[nH]1 ZINC000670469388 483063196 /nfs/dbraw/zinc/06/31/96/483063196.db2.gz NMRNSDLIFYJQPP-LBPRGKRZSA-N 1 1 278.400 1.662 50 0 CDAAMO CCCCc1nc(C[N@H+](C)C[C@@H]2CC(=O)N(C)C2)c[nH]1 ZINC000670469388 483063202 /nfs/dbraw/zinc/06/32/02/483063202.db2.gz NMRNSDLIFYJQPP-LBPRGKRZSA-N 1 1 278.400 1.662 50 0 CDAAMO CCCCc1nc(C[N@@H+](C)C[C@@H]2CC(=O)N(C)C2)c[nH]1 ZINC000670469388 483063205 /nfs/dbraw/zinc/06/32/05/483063205.db2.gz NMRNSDLIFYJQPP-LBPRGKRZSA-N 1 1 278.400 1.662 50 0 CDAAMO CCn1c(C)nnc1CN(C)[C@H]1CC[N@@H+](CCCOC)C1 ZINC000083836855 483202738 /nfs/dbraw/zinc/20/27/38/483202738.db2.gz GUHVFPDBXURKOR-AWEZNQCLSA-N 1 1 295.431 1.149 50 0 CDAAMO C[C@@H](NC(=O)CC1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000084636656 483302706 /nfs/dbraw/zinc/30/27/06/483302706.db2.gz BAGQVUVOVXIDER-TZMCWYRMSA-N 1 1 268.401 1.792 50 0 CDAAMO C[C@@H](NC(=O)CC1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000084636656 483302708 /nfs/dbraw/zinc/30/27/08/483302708.db2.gz BAGQVUVOVXIDER-TZMCWYRMSA-N 1 1 268.401 1.792 50 0 CDAAMO CCC(=O)N1CC[C@H]([NH2+]Cc2cn[nH]c2C)[C@H](CC)C1 ZINC000084736280 483320576 /nfs/dbraw/zinc/32/05/76/483320576.db2.gz ZGNYSJSCJZNGMM-OCCSQVGLSA-N 1 1 278.400 1.845 50 0 CDAAMO CO[C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000097142617 538437610 /nfs/dbraw/zinc/43/76/10/538437610.db2.gz KQORFPAOOVBLEK-NFAWXSAZSA-N 1 1 276.380 1.658 50 0 CDAAMO CC(C)NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097142303 567905027 /nfs/dbraw/zinc/90/50/27/567905027.db2.gz QAEDKBSLZHPXRL-CYBMUJFWSA-N 1 1 295.452 1.951 50 0 CDAAMO CN1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC2(C)C)CC1 ZINC000952981405 616232852 /nfs/dbraw/zinc/23/28/52/616232852.db2.gz IBJJLUWQJPJVJI-LBPRGKRZSA-N 1 1 267.417 1.175 50 0 CDAAMO COC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000307265021 619880035 /nfs/dbraw/zinc/88/00/35/619880035.db2.gz BELXMXYCUGNYOU-UHFFFAOYSA-N 1 1 262.128 1.900 50 0 CDAAMO CNc1cc[nH+]c(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 ZINC001704300745 1177680481 /nfs/dbraw/zinc/68/04/81/1177680481.db2.gz VVWOWILYTTZWEJ-CHWSQXEVSA-N 1 1 285.351 1.583 50 0 CDAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@@]2(CCC[C@H]2O)C1 ZINC001704338204 1177693563 /nfs/dbraw/zinc/69/35/63/1177693563.db2.gz OBTSSQONTLEMIS-HIFRSBDPSA-N 1 1 268.401 1.482 50 0 CDAAMO CCCO[C@H]1CCC[N@@H+](CCn2cc[nH]c2=O)C1 ZINC001704352063 1177699197 /nfs/dbraw/zinc/69/91/97/1177699197.db2.gz WQUUSKRYUJKZSY-LBPRGKRZSA-N 1 1 253.346 1.480 50 0 CDAAMO C[N@@H+](CCCn1cnnn1)Cc1ccccc1-n1cccn1 ZINC001704353746 1177699774 /nfs/dbraw/zinc/69/97/74/1177699774.db2.gz RKAAVKIJJQZQHJ-UHFFFAOYSA-N 1 1 297.366 1.381 50 0 CDAAMO Cc1cccc(CC[N@@H+]2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704359641 1177700854 /nfs/dbraw/zinc/70/08/54/1177700854.db2.gz XDQFTZKTTSWDIT-CRAIPNDOSA-N 1 1 297.402 1.863 50 0 CDAAMO CCN(C#N)CC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000864091350 818760687 /nfs/dbraw/zinc/76/06/87/818760687.db2.gz STONDHZDMOPFAZ-CYBMUJFWSA-N 1 1 296.415 1.778 50 0 CDAAMO CCN(C#N)CC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000864091350 818760702 /nfs/dbraw/zinc/76/07/02/818760702.db2.gz STONDHZDMOPFAZ-CYBMUJFWSA-N 1 1 296.415 1.778 50 0 CDAAMO O=S(=O)(c1cn[nH]c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000952980906 819872310 /nfs/dbraw/zinc/87/23/10/819872310.db2.gz QXHZILRIKSYDOJ-UHFFFAOYSA-N 1 1 298.412 1.049 50 0 CDAAMO Cc1[nH+]ccn1CCNC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC000878555149 820314699 /nfs/dbraw/zinc/31/46/99/820314699.db2.gz QZUFPECCFXWNOK-IINYFYTJSA-N 1 1 287.367 1.397 50 0 CDAAMO CCNc1cc[nH+]c(N2CCC[C@@H](CCC(N)=O)C2)n1 ZINC000065495731 822357291 /nfs/dbraw/zinc/35/72/91/822357291.db2.gz DVBIHMNJOGEOFA-NSHDSACASA-N 1 1 277.372 1.390 50 0 CDAAMO C[NH+]1CCN(C(=O)N2CCC3(CC3(F)F)CC2)CC1 ZINC000952852807 910407054 /nfs/dbraw/zinc/40/70/54/910407054.db2.gz UFHNOCYAMBACMC-UHFFFAOYSA-N 1 1 273.327 1.475 50 0 CDAAMO Cc1cccnc1C[N@@H+](C)Cc1c(CO)cnc(C)c1O ZINC000952870006 910419401 /nfs/dbraw/zinc/41/94/01/910419401.db2.gz TTYFASQYZPVIII-UHFFFAOYSA-N 1 1 287.363 1.923 50 0 CDAAMO Cc1cccnc1C[N@H+](C)Cc1c(CO)cnc(C)c1O ZINC000952870006 910419427 /nfs/dbraw/zinc/41/94/27/910419427.db2.gz TTYFASQYZPVIII-UHFFFAOYSA-N 1 1 287.363 1.923 50 0 CDAAMO C[C@@H]1CN(C(=O)c2ccc(OCCO)cc2)[C@@H](C)C[N@H+]1C ZINC000952884886 910457077 /nfs/dbraw/zinc/45/70/77/910457077.db2.gz OTDLDEAFNLYKHH-OLZOCXBDSA-N 1 1 292.379 1.222 50 0 CDAAMO Nc1cc(N2CC[C@@]3(C2)c2ccccc2NC3=O)nc[nH+]1 ZINC000952883803 910458612 /nfs/dbraw/zinc/45/86/12/910458612.db2.gz XMABWRRATBAEFU-OAHLLOKOSA-N 1 1 281.319 1.159 50 0 CDAAMO CC(C)OCC1CC[NH+]([C@@H](C)CS(C)(=O)=O)CC1 ZINC000821933531 925603568 /nfs/dbraw/zinc/60/35/68/925603568.db2.gz UXOGCBRQIHFJAU-LBPRGKRZSA-N 1 1 277.430 1.557 50 0 CDAAMO Cc1nonc1CN(C)C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000823719830 925722573 /nfs/dbraw/zinc/72/25/73/925722573.db2.gz KWSPDGIPKOOORS-LBPRGKRZSA-N 1 1 252.362 1.540 50 0 CDAAMO Cn1c(C[N@H+](C)CCCO)cnc1SC(F)(F)F ZINC000585116976 930969540 /nfs/dbraw/zinc/96/95/40/930969540.db2.gz NZIPTGXTKIYUBT-UHFFFAOYSA-N 1 1 283.319 1.846 50 0 CDAAMO Cn1c(C[N@@H+](C)CCCO)cnc1SC(F)(F)F ZINC000585116976 930969545 /nfs/dbraw/zinc/96/95/45/930969545.db2.gz NZIPTGXTKIYUBT-UHFFFAOYSA-N 1 1 283.319 1.846 50 0 CDAAMO Cc1ccc[nH+]c1NCCNc1nccnc1N(C)C ZINC001529134284 968990017 /nfs/dbraw/zinc/99/00/17/968990017.db2.gz RXWFSEOIABNROI-UHFFFAOYSA-N 1 1 272.356 1.770 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2O)[nH]n1 ZINC001529158344 968996992 /nfs/dbraw/zinc/99/69/92/968996992.db2.gz AGFDFEOUHOUPIG-DOMZBBRYSA-N 1 1 263.385 1.886 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2O)n[nH]1 ZINC001529158344 968996999 /nfs/dbraw/zinc/99/69/99/968996999.db2.gz AGFDFEOUHOUPIG-DOMZBBRYSA-N 1 1 263.385 1.886 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2O)n[nH]1 ZINC001529158344 968997005 /nfs/dbraw/zinc/99/70/05/968997005.db2.gz AGFDFEOUHOUPIG-DOMZBBRYSA-N 1 1 263.385 1.886 50 0 CDAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3cnn(C)c3C)C[C@H]2O)on1 ZINC001529159707 968998004 /nfs/dbraw/zinc/99/80/04/968998004.db2.gz XXQCPIMIRZSQDZ-IUODEOHRSA-N 1 1 290.367 1.060 50 0 CDAAMO Nc1[nH+]c(NCc2ccc3nsnc3c2)cc2nncn21 ZINC001529160154 968998046 /nfs/dbraw/zinc/99/80/46/968998046.db2.gz YNTRQBRTDGWGPI-UHFFFAOYSA-N 1 1 298.335 1.323 50 0 CDAAMO COCC[N@H+]1CC[C@H](CN(C)c2ccc(C(C)=O)cn2)C1 ZINC001529167928 968999306 /nfs/dbraw/zinc/99/93/06/968999306.db2.gz SUXNTKAQOUOIOX-CQSZACIVSA-N 1 1 291.395 1.689 50 0 CDAAMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCn1cncn1 ZINC000096448431 230375102 /nfs/dbraw/zinc/37/51/02/230375102.db2.gz PGXWVLQWMSXZAF-NSHDSACASA-N 1 1 250.371 1.903 50 0 CDAAMO CCc1noc([C@H](C)NC(=O)CCn2cc[nH+]c2C)n1 ZINC000222700830 230398454 /nfs/dbraw/zinc/39/84/54/230398454.db2.gz DBMMZSDLJUVLBX-VIFPVBQESA-N 1 1 277.328 1.404 50 0 CDAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1nnc(C)o1 ZINC000106789058 349491494 /nfs/dbraw/zinc/49/14/94/349491494.db2.gz RNZMYDCLKLYZIU-LERXQTSPSA-N 1 1 292.383 1.914 50 0 CDAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1nnc(C)o1 ZINC000106789058 349491496 /nfs/dbraw/zinc/49/14/96/349491496.db2.gz RNZMYDCLKLYZIU-LERXQTSPSA-N 1 1 292.383 1.914 50 0 CDAAMO O=C(C1CCCC1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000584904049 341994093 /nfs/dbraw/zinc/99/40/93/341994093.db2.gz RFWDFTWCQZPAQB-OAHLLOKOSA-N 1 1 280.412 1.482 50 0 CDAAMO COC(=O)CCCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000095943088 185037298 /nfs/dbraw/zinc/03/72/98/185037298.db2.gz XGSCEHJLHCOPOT-CYBMUJFWSA-N 1 1 296.411 1.805 50 0 CDAAMO Cc1nc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)cs1 ZINC000096140508 185105367 /nfs/dbraw/zinc/10/53/67/185105367.db2.gz GMODJLUSAVOYPQ-LLVKDONJSA-N 1 1 283.397 1.028 50 0 CDAAMO Cc1nc(CN[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1 ZINC000125959067 342146597 /nfs/dbraw/zinc/14/65/97/342146597.db2.gz CYYTUXAMOQDMOJ-LBPRGKRZSA-N 1 1 294.399 1.501 50 0 CDAAMO C[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000252515172 361855986 /nfs/dbraw/zinc/85/59/86/361855986.db2.gz HSRYAQWTUWNIRM-MGPQQGTHSA-N 1 1 268.401 1.528 50 0 CDAAMO Cn1ccc(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)n1 ZINC000244678935 361856746 /nfs/dbraw/zinc/85/67/46/361856746.db2.gz IMRXEBLTLPTYPT-UHFFFAOYSA-N 1 1 284.363 1.458 50 0 CDAAMO Cc1nnc([C@H]2CCC[N@@H+](CCC(=O)NC(C)(C)C)C2)[nH]1 ZINC000244724118 361859994 /nfs/dbraw/zinc/85/99/94/361859994.db2.gz MNWZZBBSNCABNV-LBPRGKRZSA-N 1 1 293.415 1.597 50 0 CDAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(=O)NC(C)(C)C)C2)n1 ZINC000244724118 361859999 /nfs/dbraw/zinc/85/99/99/361859999.db2.gz MNWZZBBSNCABNV-LBPRGKRZSA-N 1 1 293.415 1.597 50 0 CDAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(=O)NC(C)(C)C)C2)n1 ZINC000244724118 361860005 /nfs/dbraw/zinc/86/00/05/361860005.db2.gz MNWZZBBSNCABNV-LBPRGKRZSA-N 1 1 293.415 1.597 50 0 CDAAMO Cc1nc([C@H]2CCC[N@H+](CCC(=O)NC(C)(C)C)C2)n[nH]1 ZINC000244724118 361860009 /nfs/dbraw/zinc/86/00/09/361860009.db2.gz MNWZZBBSNCABNV-LBPRGKRZSA-N 1 1 293.415 1.597 50 0 CDAAMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)NC(C)(C)C)C2)n[nH]1 ZINC000244724118 361860013 /nfs/dbraw/zinc/86/00/13/361860013.db2.gz MNWZZBBSNCABNV-LBPRGKRZSA-N 1 1 293.415 1.597 50 0 CDAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCCn2cccn2)C1 ZINC000244778698 361863021 /nfs/dbraw/zinc/86/30/21/361863021.db2.gz PUYQKWKPJDVYMA-CQSZACIVSA-N 1 1 262.401 1.832 50 0 CDAAMO C[N@H+](CCn1cncn1)Cc1cc(-c2ccccn2)no1 ZINC000244811472 361865551 /nfs/dbraw/zinc/86/55/51/361865551.db2.gz SDJNALDCSYHFAZ-UHFFFAOYSA-N 1 1 284.323 1.460 50 0 CDAAMO C[N@@H+](CCn1cncn1)Cc1cc(-c2ccccn2)no1 ZINC000244811472 361865555 /nfs/dbraw/zinc/86/55/55/361865555.db2.gz SDJNALDCSYHFAZ-UHFFFAOYSA-N 1 1 284.323 1.460 50 0 CDAAMO CCCCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136763 342216008 /nfs/dbraw/zinc/21/60/08/342216008.db2.gz RMPHMYNQFBVTEV-AWEZNQCLSA-N 1 1 278.400 1.805 50 0 CDAAMO C[N@H+]1CCN(CCCc2c(F)cccc2F)C[C@H]1CO ZINC000585136505 342216042 /nfs/dbraw/zinc/21/60/42/342216042.db2.gz IMBYXTNIHAFCET-LBPRGKRZSA-N 1 1 284.350 1.506 50 0 CDAAMO C[N@H+]1CC[C@@H]2CN(CC(=O)NCC3CCCCC3)C[C@@H]2C1 ZINC000585136939 342216188 /nfs/dbraw/zinc/21/61/88/342216188.db2.gz ZGCAAUUXRIMKNH-CVEARBPZSA-N 1 1 293.455 1.566 50 0 CDAAMO C[N@@H+](CC(=O)NCc1nccs1)CC(C)(C)C ZINC000585141203 342219555 /nfs/dbraw/zinc/21/95/55/342219555.db2.gz QZXGMEXPSCLKEV-UHFFFAOYSA-N 1 1 255.387 1.737 50 0 CDAAMO O=C([C@@H]1CCCOC1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000098019062 539095636 /nfs/dbraw/zinc/09/56/36/539095636.db2.gz XRZKXXWACXKDNF-CHWSQXEVSA-N 1 1 284.425 1.063 50 0 CDAAMO C[N@H+]1CCC[C@@H](NC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000098020479 539095693 /nfs/dbraw/zinc/09/56/93/539095693.db2.gz ONFWHXZSUPMBEL-CYBMUJFWSA-N 1 1 281.400 1.435 50 0 CDAAMO Cc1noc([C@H](C)[NH2+]C[C@H]2CCCn3ccnc32)n1 ZINC000084286494 342260458 /nfs/dbraw/zinc/26/04/58/342260458.db2.gz CVUTVKYQGQIARJ-GXSJLCMTSA-N 1 1 261.329 1.803 50 0 CDAAMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CCO1 ZINC000040489810 539147565 /nfs/dbraw/zinc/14/75/65/539147565.db2.gz RSUSNPMZYCPCIY-XJKSGUPXSA-N 1 1 288.391 1.853 50 0 CDAAMO CCCCNC(=O)[C@@H](C)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000585116451 362044960 /nfs/dbraw/zinc/04/49/60/362044960.db2.gz WMWCWEWXKATMGF-ZIAGYGMSSA-N 1 1 283.460 1.953 50 0 CDAAMO 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705649472 /nfs/dbraw/zinc/64/94/72/705649472.db2.gz YLGQQISYRFFXSJ-HNNXBMFYSA-N 1 1 297.443 1.570 50 0 CDAAMO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cnnn3C)C2)cc1 ZINC000952992557 705890012 /nfs/dbraw/zinc/89/00/12/705890012.db2.gz NWFOYVSTCKXUMQ-AWEZNQCLSA-N 1 1 285.351 1.406 50 0 CDAAMO CC(C)(C)C[N@H+]1CCN(C2CCOCC2)C[C@@H]1CCO ZINC000019227351 710217922 /nfs/dbraw/zinc/21/79/22/710217922.db2.gz IAOFDBSFDXJGHE-HNNXBMFYSA-N 1 1 284.444 1.580 50 0 CDAAMO CC(C)(C)CN1CC[N@@H+](C2CCOCC2)C[C@@H]1CCO ZINC000019227351 710217935 /nfs/dbraw/zinc/21/79/35/710217935.db2.gz IAOFDBSFDXJGHE-HNNXBMFYSA-N 1 1 284.444 1.580 50 0 CDAAMO CC(C)(C)CN1CC[N@H+](C2CCOCC2)C[C@@H]1CCO ZINC000019227351 710217943 /nfs/dbraw/zinc/21/79/43/710217943.db2.gz IAOFDBSFDXJGHE-HNNXBMFYSA-N 1 1 284.444 1.580 50 0 CDAAMO CCC(=O)Nc1ccc(OC)cc1NC(=O)C[NH+](C)C ZINC000822535835 925630977 /nfs/dbraw/zinc/63/09/77/925630977.db2.gz WAXMQSMQJQLBHX-UHFFFAOYSA-N 1 1 279.340 1.544 50 0 CDAAMO CCC1(CC)C[N@@H+](CCn2cnnc2C)CCO1 ZINC000822679077 925645480 /nfs/dbraw/zinc/64/54/80/925645480.db2.gz XEBARDYGTDKCRH-UHFFFAOYSA-N 1 1 252.362 1.478 50 0 CDAAMO CCCc1nc(N2CCC([N@@H+](C)CCN(C)C)CC2)no1 ZINC000823023305 925667527 /nfs/dbraw/zinc/66/75/27/925667527.db2.gz AZVHYUPVUMFANJ-UHFFFAOYSA-N 1 1 295.431 1.484 50 0 CDAAMO CCCc1nc(N2CCC(N(C)CC[NH+](C)C)CC2)no1 ZINC000823023305 925667530 /nfs/dbraw/zinc/66/75/30/925667530.db2.gz AZVHYUPVUMFANJ-UHFFFAOYSA-N 1 1 295.431 1.484 50 0 CDAAMO CCc1noc(CCNc2[nH+]cnc3[nH]ccc32)n1 ZINC000823569321 925712632 /nfs/dbraw/zinc/71/26/32/925712632.db2.gz GGXINZIWGLTFHH-UHFFFAOYSA-N 1 1 258.285 1.558 50 0 CDAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)[C@H]1CCOC1 ZINC000823671483 925719098 /nfs/dbraw/zinc/71/90/98/925719098.db2.gz YWKRWXKLQVWECP-NSHDSACASA-N 1 1 259.309 1.957 50 0 CDAAMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000823754965 925724155 /nfs/dbraw/zinc/72/41/55/925724155.db2.gz LMYCYYHYEPJNFO-CQSZACIVSA-N 1 1 264.373 1.027 50 0 CDAAMO CN(C[C@H]1CCCC[N@H+]1C)c1ccc(C(N)=O)cn1 ZINC000823777541 925728561 /nfs/dbraw/zinc/72/85/61/925728561.db2.gz GIOWZZMMZSXQCC-GFCCVEGCSA-N 1 1 262.357 1.101 50 0 CDAAMO Cc1c[nH+]c(CCNC(=O)c2cccn2C)n1C1CC1 ZINC000581816096 927207667 /nfs/dbraw/zinc/20/76/67/927207667.db2.gz YMRRHCGFABQKGB-UHFFFAOYSA-N 1 1 272.352 1.837 50 0 CDAAMO Cc1nn(C)cc1-c1ccnc(N2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000048194420 937314817 /nfs/dbraw/zinc/31/48/17/937314817.db2.gz VJOFGMBWCZPBCK-LLVKDONJSA-N 1 1 286.383 1.326 50 0 CDAAMO O=C(NCCc1ccccn1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000585122384 930988926 /nfs/dbraw/zinc/98/89/26/930988926.db2.gz ZCCFDUNEFGKILK-CABCVRRESA-N 1 1 273.380 1.757 50 0 CDAAMO Cc1cc(C)n(C[C@@H](C)N2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001506396360 975147966 /nfs/dbraw/zinc/14/79/66/975147966.db2.gz RXMRIVYIZWBZRK-OAHLLOKOSA-N 1 1 292.427 1.343 50 0 CDAAMO Cc1cc(C[N@H+](C)CCn2cc(Cl)cn2)on1 ZINC001506398547 975149134 /nfs/dbraw/zinc/14/91/34/975149134.db2.gz DYDQQCLRNRPWNP-UHFFFAOYSA-N 1 1 254.721 1.965 50 0 CDAAMO Cc1cc(C[N@@H+](C)CCn2cc(Cl)cn2)on1 ZINC001506398547 975149136 /nfs/dbraw/zinc/14/91/36/975149136.db2.gz DYDQQCLRNRPWNP-UHFFFAOYSA-N 1 1 254.721 1.965 50 0 CDAAMO Cc1nn(C)c(C)c1C[N@@H+](CCn1cnnc1C)C1CC1 ZINC001506414132 975154369 /nfs/dbraw/zinc/15/43/69/975154369.db2.gz WBNBKDRXQCASBA-UHFFFAOYSA-N 1 1 288.399 1.601 50 0 CDAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCN2CCCC2=O)C1 ZINC001506412740 975154709 /nfs/dbraw/zinc/15/47/09/975154709.db2.gz NQBARRHITUPSCH-CYBMUJFWSA-N 1 1 265.401 1.167 50 0 CDAAMO CO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000096440560 230372649 /nfs/dbraw/zinc/37/26/49/230372649.db2.gz DPRHZPSESSLVPU-RBSFLKMASA-N 1 1 295.427 1.728 50 0 CDAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(C)(=O)=O)cc1F ZINC000096456767 230377552 /nfs/dbraw/zinc/37/75/52/230377552.db2.gz JDGNMLMVFYHQNH-SECBINFHSA-N 1 1 297.355 1.930 50 0 CDAAMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CCn1cnnc1 ZINC000096466227 230378652 /nfs/dbraw/zinc/37/86/52/230378652.db2.gz ZHXPPMTWBBLKCM-UONOGXRCSA-N 1 1 293.415 1.247 50 0 CDAAMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCn1cnnc1 ZINC000096466227 230378653 /nfs/dbraw/zinc/37/86/53/230378653.db2.gz ZHXPPMTWBBLKCM-UONOGXRCSA-N 1 1 293.415 1.247 50 0 CDAAMO C1C[C@H]([NH2+]C2CCN(C3CCOCC3)CC2)CS1 ZINC000584903973 341994191 /nfs/dbraw/zinc/99/41/91/341994191.db2.gz HINZUWSLIYPDRA-ZDUSSCGKSA-N 1 1 270.442 1.725 50 0 CDAAMO CC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095626796 185016184 /nfs/dbraw/zinc/01/61/84/185016184.db2.gz VSGFDXSAMDSNKW-GJZGRUSLSA-N 1 1 263.337 1.433 50 0 CDAAMO C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624048510 342003464 /nfs/dbraw/zinc/00/34/64/342003464.db2.gz NMKPLCHOVHEICF-QLFBSQMISA-N 1 1 297.443 1.690 50 0 CDAAMO COCCc1noc(C[NH2+][C@@H](CCO)C(C)(C)C)n1 ZINC000095995946 185060073 /nfs/dbraw/zinc/06/00/73/185060073.db2.gz UUIGZUDUSJLWER-JTQLQIEISA-N 1 1 271.361 1.145 50 0 CDAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1 ZINC000249263737 361778121 /nfs/dbraw/zinc/77/81/21/361778121.db2.gz ZHHNCXTZCOTKBL-STQMWFEESA-N 1 1 297.424 1.480 50 0 CDAAMO Cc1cccc2nc(CCC(=O)N3CC[NH2+]C[C@H]3C)[nH]c21 ZINC000124848374 187157824 /nfs/dbraw/zinc/15/78/24/187157824.db2.gz ZVMFIVJDXKGNLM-GFCCVEGCSA-N 1 1 286.379 1.624 50 0 CDAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(C)(=O)=O ZINC000000055306 342060036 /nfs/dbraw/zinc/06/00/36/342060036.db2.gz DGKGNEDJNWYORV-TZMCWYRMSA-N 1 1 280.393 1.562 50 0 CDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000096118152 185102129 /nfs/dbraw/zinc/10/21/29/185102129.db2.gz HTHXHFFUEJQITL-ZDUSSCGKSA-N 1 1 299.378 1.686 50 0 CDAAMO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cs1 ZINC000096131401 185103917 /nfs/dbraw/zinc/10/39/17/185103917.db2.gz PIGCATFPTLRXKL-WDEREUQCSA-N 1 1 265.382 1.618 50 0 CDAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)Cc2cnccn2)o1 ZINC000244874411 361868019 /nfs/dbraw/zinc/86/80/19/361868019.db2.gz XAXDHDNZDJCDNV-LLVKDONJSA-N 1 1 288.351 1.492 50 0 CDAAMO Cc1[nH+]cn(CC(=O)N2CC[C@](O)(c3ccccc3)C2)c1C ZINC000244718694 361858736 /nfs/dbraw/zinc/85/87/36/361858736.db2.gz LPGPZBJPJJHHQR-QGZVFWFLSA-N 1 1 299.374 1.620 50 0 CDAAMO CC(C)OC[C@H](O)C[N@@H+](C)CCOc1ccccc1F ZINC000096967984 185143430 /nfs/dbraw/zinc/14/34/30/185143430.db2.gz XMAFXQNYCVOKHY-CYBMUJFWSA-N 1 1 285.359 1.922 50 0 CDAAMO NC(=O)[C@H]1C[N@H+]([C@H]2CCCCc3ccccc32)CCO1 ZINC000257365171 539096204 /nfs/dbraw/zinc/09/62/04/539096204.db2.gz WTVCQOLEZGUJIU-LSDHHAIUSA-N 1 1 274.364 1.640 50 0 CDAAMO COc1ccccc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000061721513 362095103 /nfs/dbraw/zinc/09/51/03/362095103.db2.gz VALINRZNAGOHRX-AWEZNQCLSA-N 1 1 294.395 1.072 50 0 CDAAMO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000061721513 362095110 /nfs/dbraw/zinc/09/51/10/362095110.db2.gz VALINRZNAGOHRX-AWEZNQCLSA-N 1 1 294.395 1.072 50 0 CDAAMO COc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000061721513 362095114 /nfs/dbraw/zinc/09/51/14/362095114.db2.gz VALINRZNAGOHRX-AWEZNQCLSA-N 1 1 294.395 1.072 50 0 CDAAMO CC(C)n1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000600988831 342442255 /nfs/dbraw/zinc/44/22/55/342442255.db2.gz AKPJFCDUOFNXAX-GFCCVEGCSA-N 1 1 250.346 1.887 50 0 CDAAMO CC(C)n1cc(NC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000600988831 342442256 /nfs/dbraw/zinc/44/22/56/342442256.db2.gz AKPJFCDUOFNXAX-GFCCVEGCSA-N 1 1 250.346 1.887 50 0 CDAAMO CCN(Cc1ccccc1Cl)C(=O)[C@H]1COCC[NH2+]1 ZINC000088370682 362303745 /nfs/dbraw/zinc/30/37/45/362303745.db2.gz KJGJRFLKBQXTBU-CYBMUJFWSA-N 1 1 282.771 1.677 50 0 CDAAMO Cc1nnc(CN(C)CC[N@@H+]2CCCC[C@H]2C)o1 ZINC000252483256 362385688 /nfs/dbraw/zinc/38/56/88/362385688.db2.gz DYBHNXWERIOSOX-LLVKDONJSA-N 1 1 252.362 1.684 50 0 CDAAMO Nc1nc(N2CC[NH+](CCCCCF)CC2)cc(=O)[nH]1 ZINC000253537090 362435543 /nfs/dbraw/zinc/43/55/43/362435543.db2.gz XDCYALHPPIVGLD-UHFFFAOYSA-N 1 1 283.351 1.026 50 0 CDAAMO Nc1nc(=O)cc(N2CC[NH+](CCCCCF)CC2)[nH]1 ZINC000253537090 362435547 /nfs/dbraw/zinc/43/55/47/362435547.db2.gz XDCYALHPPIVGLD-UHFFFAOYSA-N 1 1 283.351 1.026 50 0 CDAAMO Cc1nscc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192487768 362615944 /nfs/dbraw/zinc/61/59/44/362615944.db2.gz KKCCDKQEHHMYRW-AOOOYVTPSA-N 1 1 251.355 1.085 50 0 CDAAMO C[NH+]1CCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC000036625116 362792575 /nfs/dbraw/zinc/79/25/75/362792575.db2.gz MHYSTNCACXVFCT-UHFFFAOYSA-N 1 1 266.316 1.369 50 0 CDAAMO CCC12CN3CC(CC)(C[NH+](C1)C3C(C)C)C2O ZINC000019330043 282530859 /nfs/dbraw/zinc/53/08/59/282530859.db2.gz BTZILEOKWJEKCX-UHFFFAOYSA-N 1 1 252.402 1.767 50 0 biogenic CDAAMO O=C(C[NH+]1CCC(O)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000012884088 348518725 /nfs/dbraw/zinc/51/87/25/348518725.db2.gz XXFWDBSGTQINNB-UHFFFAOYSA-N 1 1 292.423 1.528 50 0 CDAAMO Cc1nonc1CNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000584897155 349358221 /nfs/dbraw/zinc/35/82/21/349358221.db2.gz MXPYWHMMCQLMTI-SNVBAGLBSA-N 1 1 277.328 1.575 50 0 CDAAMO CCc1[nH+]ccn1CCC(=O)NCc1cc(C2CC2)n[nH]1 ZINC000584887575 349345620 /nfs/dbraw/zinc/34/56/20/349345620.db2.gz ANTXRYOVKYVXIK-UHFFFAOYSA-N 1 1 287.367 1.753 50 0 CDAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)C1CCCCCC1 ZINC000584889070 349347977 /nfs/dbraw/zinc/34/79/77/349347977.db2.gz NSDLNGDJEIZCMA-CQSZACIVSA-N 1 1 282.428 1.777 50 0 CDAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)C2(C)COC2)C1 ZINC000584895110 349355035 /nfs/dbraw/zinc/35/50/35/349355035.db2.gz BSPBSXFROBJBSA-CYBMUJFWSA-N 1 1 268.401 1.459 50 0 CDAAMO C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)CC[C@]1(C)O ZINC000091792987 180257599 /nfs/dbraw/zinc/25/75/99/180257599.db2.gz AFJYGDQBJKEAOI-ABAIWWIYSA-N 1 1 263.385 1.890 50 0 CDAAMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN1CCOCC1 ZINC000091736482 180242921 /nfs/dbraw/zinc/24/29/21/180242921.db2.gz DFKGXOQOYHYSDM-IAGOWNOFSA-N 1 1 290.407 1.059 50 0 CDAAMO Cn1cc(CC[N@H+]2CC[C@](C)(O)C(C)(C)C2)cn1 ZINC000091876979 180278901 /nfs/dbraw/zinc/27/89/01/180278901.db2.gz DESHOKGLAIDROR-AWEZNQCLSA-N 1 1 251.374 1.446 50 0 CDAAMO Cn1cc[nH+]c1N1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000013693526 365960200 /nfs/dbraw/zinc/96/02/00/365960200.db2.gz LZKFOHWAAUJRBW-FPLPWBNLSA-N 1 1 296.374 1.782 50 0 CDAAMO C[N@H+]1CCCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000022944094 356448234 /nfs/dbraw/zinc/44/82/34/356448234.db2.gz JIOKPFNPKXLJQT-UHFFFAOYSA-N 1 1 278.381 1.936 50 0 CDAAMO CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000019590027 356493266 /nfs/dbraw/zinc/49/32/66/356493266.db2.gz UDNRTWAJEUUWNA-UHFFFAOYSA-N 1 1 265.332 1.402 50 0 CDAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000020038557 356522437 /nfs/dbraw/zinc/52/24/37/356522437.db2.gz SHFBPYDXKVHOCA-JTQLQIEISA-N 1 1 277.748 1.756 50 0 CDAAMO CC(C)CCc1c(O)nc(SCC[NH+](C)C)[nH]c1=O ZINC000019879636 356514720 /nfs/dbraw/zinc/51/47/20/356514720.db2.gz KWYFMFUXOFORHA-UHFFFAOYSA-N 1 1 285.413 1.718 50 0 CDAAMO Cc1cc(C)n([C@@H]2CCN(c3nc(C)nc4c3C[NH2+]C4)C2)n1 ZINC000072163115 356633978 /nfs/dbraw/zinc/63/39/78/356633978.db2.gz NBTOWULDRIJMLZ-CYBMUJFWSA-N 1 1 298.394 1.653 50 0 CDAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000023145511 356629812 /nfs/dbraw/zinc/62/98/12/356629812.db2.gz XVDZAAABUNDARZ-HNNXBMFYSA-N 1 1 294.443 1.579 50 0 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/nfs/dbraw/zinc/06/80/44/359068044.db2.gz MHAUGMHVXBVTRH-LBPRGKRZSA-N 1 1 297.424 1.339 50 0 CDAAMO CCc1nc(CN(C)C(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)no1 ZINC000219040077 359076480 /nfs/dbraw/zinc/07/64/80/359076480.db2.gz FAJDRQMJJSLPEE-NEPJUHHUSA-N 1 1 292.383 1.465 50 0 CDAAMO C[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000095973215 359153869 /nfs/dbraw/zinc/15/38/69/359153869.db2.gz FVZGOQRBGOLCDC-LSDHHAIUSA-N 1 1 267.344 1.954 50 0 CDAAMO O=C(NC1CC1)[C@@H]1OCC[N@H+](C2CC2)[C@H]1c1ccccc1 ZINC000257180110 359199453 /nfs/dbraw/zinc/19/94/53/359199453.db2.gz KCHQJQVRLXAVRG-JKSUJKDBSA-N 1 1 286.375 1.870 50 0 CDAAMO O=C(NC1CC1)[C@@H]1OCC[N@@H+](C2CC2)[C@H]1c1ccccc1 ZINC000257180110 359199460 /nfs/dbraw/zinc/19/94/60/359199460.db2.gz KCHQJQVRLXAVRG-JKSUJKDBSA-N 1 1 286.375 1.870 50 0 CDAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1COC ZINC000257180298 359213857 /nfs/dbraw/zinc/21/38/57/359213857.db2.gz DKYSXTJFWHNZFW-GXTWGEPZSA-N 1 1 296.798 1.780 50 0 CDAAMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000408517149 359900254 /nfs/dbraw/zinc/90/02/54/359900254.db2.gz AGBOGJCPQVKBAZ-UHFFFAOYSA-N 1 1 289.335 1.700 50 0 CDAAMO CN(CC[N@@H+](C)C1CC1)C(=O)C1(Br)CC1 ZINC000408522183 359921070 /nfs/dbraw/zinc/92/10/70/359921070.db2.gz FEPSVBKPKXBLSU-UHFFFAOYSA-N 1 1 275.190 1.467 50 0 CDAAMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cccn2)o1 ZINC000257365777 359946281 /nfs/dbraw/zinc/94/62/81/359946281.db2.gz MCSQZTOYIQRHOU-PWSUYJOCSA-N 1 1 261.329 1.800 50 0 CDAAMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cccn2)o1 ZINC000257365777 359946285 /nfs/dbraw/zinc/94/62/85/359946285.db2.gz MCSQZTOYIQRHOU-PWSUYJOCSA-N 1 1 261.329 1.800 50 0 CDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000089938077 360196814 /nfs/dbraw/zinc/19/68/14/360196814.db2.gz YKLBJVNYERUYFG-AWEZNQCLSA-N 1 1 298.390 1.577 50 0 CDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000089938077 360196817 /nfs/dbraw/zinc/19/68/17/360196817.db2.gz YKLBJVNYERUYFG-AWEZNQCLSA-N 1 1 298.390 1.577 50 0 CDAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(C)n1 ZINC000247983386 360290830 /nfs/dbraw/zinc/29/08/30/360290830.db2.gz YESNXVJKPXCWRR-HUUCEWRRSA-N 1 1 288.395 1.874 50 0 CDAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCC2(CCO2)CC1 ZINC000426399264 360664877 /nfs/dbraw/zinc/66/48/77/360664877.db2.gz RAVLHGLNNNZZRY-NSHDSACASA-N 1 1 263.341 1.534 50 0 CDAAMO COCCC[N@H+](Cc1cccn1C)C[C@H](O)COC(C)C ZINC000036098182 360910192 /nfs/dbraw/zinc/91/01/92/360910192.db2.gz LNTDZPJXXDDNDI-INIZCTEOSA-N 1 1 298.427 1.650 50 0 CDAAMO OC[C@@]1([NH2+]Cc2ccc(Br)o2)CCOC1 ZINC000191592833 361122236 /nfs/dbraw/zinc/12/22/36/361122236.db2.gz QOWMEAAZZWTDAT-JTQLQIEISA-N 1 1 276.130 1.283 50 0 CDAAMO C[NH+]1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000036182259 361205617 /nfs/dbraw/zinc/20/56/17/361205617.db2.gz CWGHEPDCXGFXQA-UHFFFAOYSA-N 1 1 290.363 1.278 50 0 CDAAMO C[C@H](Oc1ccc(F)cc1F)C(=O)NN1CC[NH+](C)CC1 ZINC000001460424 361202542 /nfs/dbraw/zinc/20/25/42/361202542.db2.gz 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