smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030879611 291321994 /nfs/dbraw/zinc/32/19/94/291321994.db2.gz XPUGZFPCVOETRJ-WZYRSQIMSA-N 1 1 425.529 1.030 40 0 biogenic,in-vitro IDABMO CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)cc1 ZINC000030879611 291321995 /nfs/dbraw/zinc/32/19/95/291321995.db2.gz XPUGZFPCVOETRJ-WZYRSQIMSA-N 1 1 425.529 1.030 40 0 biogenic,in-vitro IDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024496 523946079 /nfs/dbraw/zinc/94/60/79/523946079.db2.gz OPNZIEVNEBUACP-ZHUCMLQESA-N 1 1 436.306 1.349 40 0 IDABMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000035363841 524020538 /nfs/dbraw/zinc/02/05/38/524020538.db2.gz JBPHKLSPHJFFQO-PILDZVQMSA-N 1 1 449.507 1.613 40 0 IDABMO COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)CCc2ccccc2)c1 ZINC000020465811 526191995 /nfs/dbraw/zinc/19/19/95/526191995.db2.gz LFVFFSBLTLMGLQ-CLAROIROSA-N 1 1 429.517 1.480 40 0 biogenic,in-vitro IDABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 ZINC000408589488 555940460 /nfs/dbraw/zinc/94/04/60/555940460.db2.gz HZQZNCLRKVABPZ-OAHLLOKOSA-N 1 1 429.970 1.913 40 0 IDABMO CN(Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000408705851 556111927 /nfs/dbraw/zinc/11/19/27/556111927.db2.gz OQPSVAPWYNIBAR-UHFFFAOYSA-N 1 1 431.558 1.801 40 0 IDABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022921049 556340628 /nfs/dbraw/zinc/34/06/28/556340628.db2.gz RKASRVSDWAKFRZ-XJUOHMSHSA-N 1 1 439.535 1.690 40 0 biogenic,in-vitro IDABMO CN1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 ZINC000030756532 556504930 /nfs/dbraw/zinc/50/49/30/556504930.db2.gz OWIRZWGWAPZLDX-UHFFFAOYSA-N 1 1 440.585 1.121 40 0 IDABMO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@@H+](CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514289253 556625503 /nfs/dbraw/zinc/62/55/03/556625503.db2.gz KIVJNPUTDGGUCK-XZOQPEGZSA-N 1 1 449.551 1.661 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290025 556625837 /nfs/dbraw/zinc/62/58/37/556625837.db2.gz RLGDWZHBNKRQTR-DHIUTWEWSA-N 1 1 449.551 1.548 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290025 556625840 /nfs/dbraw/zinc/62/58/40/556625840.db2.gz RLGDWZHBNKRQTR-DHIUTWEWSA-N 1 1 449.551 1.548 40 0 biogenic,in-vitro IDABMO COc1cccc(-c2c3c(ccn(CCC[NH+]4CCN(C)CC4)c3=O)nc3ncnn32)c1 ZINC000040398275 556640128 /nfs/dbraw/zinc/64/01/28/556640128.db2.gz QOSCCKKASCACIN-UHFFFAOYSA-N 1 1 433.516 1.752 40 0 IDABMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000013556074 556697356 /nfs/dbraw/zinc/69/73/56/556697356.db2.gz BUPDNDBUWANODG-BEBLALHPSA-N 1 1 439.443 1.136 40 0 IDABMO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000257281293 556714757 /nfs/dbraw/zinc/71/47/57/556714757.db2.gz OOLUFLHROYHMIC-JOCHJYFZSA-N 1 1 434.540 1.929 40 0 IDABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000257281293 556714763 /nfs/dbraw/zinc/71/47/63/556714763.db2.gz OOLUFLHROYHMIC-JOCHJYFZSA-N 1 1 434.540 1.929 40 0 IDABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000019292033 556731731 /nfs/dbraw/zinc/73/17/31/556731731.db2.gz BAFYVYMMJBKAMP-UXHICEINSA-N 1 1 443.592 1.082 40 0 IDABMO CC(C)OCCN1CCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450442 556761461 /nfs/dbraw/zinc/76/14/61/556761461.db2.gz CVWXBUVXQBKIRJ-FQEVSTJZSA-N 1 1 445.608 1.328 40 0 IDABMO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[NH+]3CCC(C)CC3)[C@]12C ZINC000019496887 556769005 /nfs/dbraw/zinc/76/90/05/556769005.db2.gz HLXPRPKOAVYMAH-DCLXLUIPSA-N 1 1 439.560 1.968 40 0 IDABMO Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cnn1C ZINC000019553933 556797605 /nfs/dbraw/zinc/79/76/05/556797605.db2.gz YMEJVIXHIDRRHW-QGZVFWFLSA-N 1 1 434.566 1.907 40 0 IDABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 ZINC000019570676 556810849 /nfs/dbraw/zinc/81/08/49/556810849.db2.gz KZHAAMWOEWJTBR-GOSISDBHSA-N 1 1 448.527 1.962 40 0 IDABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 ZINC000019570676 556810850 /nfs/dbraw/zinc/81/08/50/556810850.db2.gz KZHAAMWOEWJTBR-GOSISDBHSA-N 1 1 448.527 1.962 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4F)C3)[nH]c(=O)c2C1 ZINC000019572729 556813323 /nfs/dbraw/zinc/81/33/23/556813323.db2.gz DVNPWMVKXRKTAU-AWEZNQCLSA-N 1 1 438.500 1.745 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4F)C3)[nH]c(=O)c2C1 ZINC000019572729 556813326 /nfs/dbraw/zinc/81/33/26/556813326.db2.gz DVNPWMVKXRKTAU-AWEZNQCLSA-N 1 1 438.500 1.745 40 0 IDABMO Cc1cc(NC(=O)Cn2cccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c2=O)no1 ZINC000019750034 556894065 /nfs/dbraw/zinc/89/40/65/556894065.db2.gz IRCWQISSPZERHJ-IBGZPJMESA-N 1 1 435.484 1.912 40 0 IDABMO Cc1cc(NC(=O)Cn2cccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c2=O)no1 ZINC000019750034 556894068 /nfs/dbraw/zinc/89/40/68/556894068.db2.gz IRCWQISSPZERHJ-IBGZPJMESA-N 1 1 435.484 1.912 40 0 IDABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)nc2C)c1 ZINC000019753120 556896979 /nfs/dbraw/zinc/89/69/79/556896979.db2.gz HLZQEVCHCMHDMU-SFHVURJKSA-N 1 1 425.533 1.991 40 0 IDABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)nc2C)c1 ZINC000019753120 556896982 /nfs/dbraw/zinc/89/69/82/556896982.db2.gz HLZQEVCHCMHDMU-SFHVURJKSA-N 1 1 425.533 1.991 40 0 IDABMO Cn1cc(C(=O)N2CC[C@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)cn1 ZINC000019756946 556901140 /nfs/dbraw/zinc/90/11/40/556901140.db2.gz BIIQPVBPQSKLOL-KRWDZBQOSA-N 1 1 432.528 1.986 40 0 IDABMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327616 556904478 /nfs/dbraw/zinc/90/44/78/556904478.db2.gz OVXSFRDJNVSIEU-UUOWRZLLSA-N 1 1 443.544 1.630 40 0 IDABMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)Nc2cc(C)ccc2C(=O)N3)CC1 ZINC000072327914 556904955 /nfs/dbraw/zinc/90/49/55/556904955.db2.gz VXMOAEAABNWJJD-GAJHUEQPSA-N 1 1 427.549 1.412 40 0 IDABMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)Nc2cc(C)ccc2C(=O)N3)CC1 ZINC000072327911 556904978 /nfs/dbraw/zinc/90/49/78/556904978.db2.gz VXMOAEAABNWJJD-HXOBKFHXSA-N 1 1 427.549 1.412 40 0 IDABMO NC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)nc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC000072335708 556908412 /nfs/dbraw/zinc/90/84/12/556908412.db2.gz HUGBQUOCMUGJMX-IBGZPJMESA-N 1 1 436.560 1.573 40 0 IDABMO NC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)nc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC000072335708 556908414 /nfs/dbraw/zinc/90/84/14/556908414.db2.gz HUGBQUOCMUGJMX-IBGZPJMESA-N 1 1 436.560 1.573 40 0 IDABMO COCCNC(=O)C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352315 556923821 /nfs/dbraw/zinc/92/38/21/556923821.db2.gz OQXNFTYUXCKDJE-MRXNPFEDSA-N 1 1 431.558 1.926 40 0 IDABMO COCCNC(=O)C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352315 556923823 /nfs/dbraw/zinc/92/38/23/556923823.db2.gz OQXNFTYUXCKDJE-MRXNPFEDSA-N 1 1 431.558 1.926 40 0 IDABMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373092 556945366 /nfs/dbraw/zinc/94/53/66/556945366.db2.gz FJTKEDWHROHOEC-ZWKOTPCHSA-N 1 1 430.549 1.561 40 0 IDABMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373093 556945427 /nfs/dbraw/zinc/94/54/27/556945427.db2.gz FJTKEDWHROHOEC-ROUUACIJSA-N 1 1 430.549 1.561 40 0 IDABMO CCN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930364 556948053 /nfs/dbraw/zinc/94/80/53/556948053.db2.gz PIOKRDOJIXTQDZ-UHFFFAOYSA-N 1 1 433.958 1.198 40 0 IDABMO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000409111308 556957584 /nfs/dbraw/zinc/95/75/84/556957584.db2.gz BNLHDNYGIKNQIR-UHFFFAOYSA-N 1 1 433.530 1.327 40 0 IDABMO Cc1nc(CCNC(=O)[C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)no1 ZINC000585102023 557035678 /nfs/dbraw/zinc/03/56/78/557035678.db2.gz ZHIZAPQGIOMRGH-HXUWFJFHSA-N 1 1 444.532 1.337 40 0 IDABMO CN1CC[NH+](CCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000022934637 557052131 /nfs/dbraw/zinc/05/21/31/557052131.db2.gz PWUKGJDPVGWNRM-UHFFFAOYSA-N 1 1 430.574 1.882 40 0 IDABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000409388081 557099854 /nfs/dbraw/zinc/09/98/54/557099854.db2.gz BYUAFOZDNFCNJI-KRWDZBQOSA-N 1 1 447.557 1.715 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102276551 557129311 /nfs/dbraw/zinc/12/93/11/557129311.db2.gz PQMKZDYILXCIJA-QDMVCWPOSA-N 1 1 447.491 1.589 40 0 IDABMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105346768 557143934 /nfs/dbraw/zinc/14/39/34/557143934.db2.gz OJBPQRSSQGMMPR-XYTYDFFKSA-N 1 1 437.471 1.744 40 0 IDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000105348203 557143988 /nfs/dbraw/zinc/14/39/88/557143988.db2.gz DOUIWKYWWJPRLI-ONYWJIHRSA-N 1 1 439.899 1.950 40 0 IDABMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105346774 557144042 /nfs/dbraw/zinc/14/40/42/557144042.db2.gz OJBPQRSSQGMMPR-XYQTXAPISA-N 1 1 437.471 1.744 40 0 IDABMO CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CC[NH+](C)CC4)cc32)n1 ZINC000096156461 557181067 /nfs/dbraw/zinc/18/10/67/557181067.db2.gz FPIITPICGZHSLN-QGZVFWFLSA-N 1 1 432.550 1.158 40 0 IDABMO CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)CC1 ZINC000096267386 557193187 /nfs/dbraw/zinc/19/31/87/557193187.db2.gz ZDIQVBQNWOUENI-UHFFFAOYSA-N 1 1 440.592 1.316 40 0 IDABMO CCOC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282070 557221332 /nfs/dbraw/zinc/22/13/32/557221332.db2.gz GTMSTSMXRMMKRB-JOCHJYFZSA-N 1 1 437.512 1.721 40 0 IDABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585282642 557222127 /nfs/dbraw/zinc/22/21/27/557222127.db2.gz MADNATNVFKQIGP-PXNSSMCTSA-N 1 1 432.439 1.901 40 0 IDABMO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000585283182 557222691 /nfs/dbraw/zinc/22/26/91/557222691.db2.gz CYLRKNPSENBFSE-SIKLNZKXSA-N 1 1 430.936 1.495 40 0 IDABMO Cc1ccc2nc(CCC[NH2+]C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)[nH]c2c1 ZINC000585291447 557229004 /nfs/dbraw/zinc/22/90/04/557229004.db2.gz PNSHTSFUKLPKPI-IRLDBZIGSA-N 1 1 444.557 1.190 40 0 IDABMO CC[C@@]12C=CC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000057517753 557253004 /nfs/dbraw/zinc/25/30/04/557253004.db2.gz DMQBJQRBCCUDSL-HKOQEMOESA-N 1 1 442.512 1.617 40 0 IDABMO O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000057611379 557255034 /nfs/dbraw/zinc/25/50/34/557255034.db2.gz LODRYEJATFVXFB-QGZVFWFLSA-N 1 1 427.592 1.766 40 0 IDABMO Cn1c(=O)cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(-c4ccccn4)cn3)C2)n(C)c1=O ZINC000100700281 557270525 /nfs/dbraw/zinc/27/05/25/557270525.db2.gz VUCUHDMJTUTMGZ-QGZVFWFLSA-N 1 1 434.500 1.359 40 0 IDABMO Cn1c(=O)cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(-c4ccccn4)cn3)C2)n(C)c1=O ZINC000100700281 557270528 /nfs/dbraw/zinc/27/05/28/557270528.db2.gz VUCUHDMJTUTMGZ-QGZVFWFLSA-N 1 1 434.500 1.359 40 0 IDABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2)cc1 ZINC000022829491 557271212 /nfs/dbraw/zinc/27/12/12/557271212.db2.gz IUHITEVAOGJDSD-UHFFFAOYSA-N 1 1 444.601 1.944 40 0 IDABMO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000022829841 557271239 /nfs/dbraw/zinc/27/12/39/557271239.db2.gz UGYZSAZMPRFHMC-HNNXBMFYSA-N 1 1 447.001 1.257 40 0 IDABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CC[NH+](C)CC3)cc2c1 ZINC000022929148 557277415 /nfs/dbraw/zinc/27/74/15/557277415.db2.gz YLIZIECGSDPRBJ-NRFANRHFSA-N 1 1 449.515 1.891 40 0 IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cccc2C ZINC000105377005 557331385 /nfs/dbraw/zinc/33/13/85/557331385.db2.gz PPCAFGJIMNCBIO-SUCPGFJNSA-N 1 1 435.480 1.305 40 0 IDABMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959441 557467890 /nfs/dbraw/zinc/46/78/90/557467890.db2.gz OJLSSLQLXZDJDV-CPQDGOSYSA-N 1 1 433.508 1.647 40 0 IDABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959538 557468315 /nfs/dbraw/zinc/46/83/15/557468315.db2.gz RPQFRVHPUSVADI-HBIFWPJPSA-N 1 1 433.508 1.647 40 0 IDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959889 557468461 /nfs/dbraw/zinc/46/84/61/557468461.db2.gz ZDZLHYCCYICKBX-ZBBYWACHSA-N 1 1 439.899 1.684 40 0 IDABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](C)CC3)cc2c1 ZINC000019522974 557501456 /nfs/dbraw/zinc/50/14/56/557501456.db2.gz DXJDFRVYYCUAQU-GHTZIAJQSA-N 1 1 437.548 1.593 40 0 IDABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823809 557508190 /nfs/dbraw/zinc/50/81/90/557508190.db2.gz AICSEDYGGOAUBE-UHFFFAOYSA-N 1 1 432.590 1.536 40 0 IDABMO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1C ZINC000019940812 557510559 /nfs/dbraw/zinc/51/05/59/557510559.db2.gz QHXACNILJWOAPW-GHTZIAJQSA-N 1 1 437.548 1.647 40 0 IDABMO CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc21 ZINC000224752559 557647689 /nfs/dbraw/zinc/64/76/89/557647689.db2.gz IWKZJQOTSPPZLK-UHFFFAOYSA-N 1 1 429.542 1.906 40 0 IDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(OC)cc3)C[N@@H+]21 ZINC000015708667 560096354 /nfs/dbraw/zinc/09/63/54/560096354.db2.gz RHKKFTLRIDQKOJ-SCTDSRPQSA-N 1 1 447.605 1.572 40 0 biogenic,in-vitro IDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(OC)cc3)C[N@H+]21 ZINC000015708667 560096356 /nfs/dbraw/zinc/09/63/56/560096356.db2.gz RHKKFTLRIDQKOJ-SCTDSRPQSA-N 1 1 447.605 1.572 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@@H+]21)NCc1ccccc1 ZINC000015707805 560096610 /nfs/dbraw/zinc/09/66/10/560096610.db2.gz GNHCVAMCVCGRPU-OTWHNJEPSA-N 1 1 441.557 1.908 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@H+]21)NCc1ccccc1 ZINC000015707805 560096611 /nfs/dbraw/zinc/09/66/11/560096611.db2.gz GNHCVAMCVCGRPU-OTWHNJEPSA-N 1 1 441.557 1.908 40 0 biogenic,in-vitro IDABMO Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257217406 568672986 /nfs/dbraw/zinc/67/29/86/568672986.db2.gz CYUFRYSJQSCVRQ-UGKGYDQZSA-N 1 1 439.560 1.802 40 0 IDABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)CO)cc2)cc1 ZINC000257221638 568675300 /nfs/dbraw/zinc/67/53/00/568675300.db2.gz DPYHHHVZZLXZEW-FGZHOGPDSA-N 1 1 425.529 1.308 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc4[nH]c(C)nc4c3)CC[C@@H]2O)CC1 ZINC000257250954 568689061 /nfs/dbraw/zinc/68/90/61/568689061.db2.gz JOSWHBRMPDTMIS-VXKWHMMOSA-N 1 1 427.549 1.320 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc4nc(C)[nH]c4c3)CC[C@@H]2O)CC1 ZINC000257250954 568689064 /nfs/dbraw/zinc/68/90/64/568689064.db2.gz JOSWHBRMPDTMIS-VXKWHMMOSA-N 1 1 427.549 1.320 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)COc3cc(C)nc4ccccc43)[C@H]2O)CC1 ZINC000257253891 568690398 /nfs/dbraw/zinc/69/03/98/568690398.db2.gz KARKYRUYLIJZTJ-PQNGQFLHSA-N 1 1 440.544 1.484 40 0 IDABMO Cc1nc2cc(C(=O)N3CC[N@H+](CCc4ccccc4)C[C@@H]3C(N)=O)ccc2n1CCO ZINC000257261477 568693993 /nfs/dbraw/zinc/69/39/93/568693993.db2.gz LHMAUYKFGADZSD-JOCHJYFZSA-N 1 1 435.528 1.191 40 0 IDABMO Cc1nc2cc(C(=O)N3CC[N@@H+](CCc4ccccc4)C[C@@H]3C(N)=O)ccc2n1CCO ZINC000257261477 568693995 /nfs/dbraw/zinc/69/39/95/568693995.db2.gz LHMAUYKFGADZSD-JOCHJYFZSA-N 1 1 435.528 1.191 40 0 IDABMO CCOc1cc(C[N@H+]2CCC[C@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283172 568703714 /nfs/dbraw/zinc/70/37/14/568703714.db2.gz OXAOLSQCUVQEOD-JOCHJYFZSA-N 1 1 444.488 1.510 40 0 IDABMO CN1CCC[N@H+]([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257286177 568705082 /nfs/dbraw/zinc/70/50/82/568705082.db2.gz PKPCNSVGHBQDFG-VXKWHMMOSA-N 1 1 446.636 1.811 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCn3c(C)nc4ccccc43)CC[C@@H]2O)CC1 ZINC000257287242 568705561 /nfs/dbraw/zinc/70/55/61/568705561.db2.gz PPDHFLHYCBVZGJ-VXKWHMMOSA-N 1 1 427.549 1.251 40 0 IDABMO Cc1nc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)co1 ZINC000257320049 568720027 /nfs/dbraw/zinc/72/00/27/568720027.db2.gz VVCUGCKOUYDPSL-QHCPKHFHSA-N 1 1 446.523 1.936 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC[C@@H]2O)CC1 ZINC000257325064 568722259 /nfs/dbraw/zinc/72/22/59/568722259.db2.gz WRGRIARPZCFPJQ-SFTDATJTSA-N 1 1 429.496 1.345 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccccc4)n3)[C@H]2O)CC1 ZINC000257330889 568725013 /nfs/dbraw/zinc/72/50/13/568725013.db2.gz XQLBDKRQJYGNBK-CEMLEFRQSA-N 1 1 425.533 1.357 40 0 IDABMO CC(C)n1cc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 ZINC000306124585 568763202 /nfs/dbraw/zinc/76/32/02/568763202.db2.gz BTXURTWJGHZYFM-OAQYLSRUSA-N 1 1 426.546 1.840 40 0 IDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000306125733 568763957 /nfs/dbraw/zinc/76/39/57/568763957.db2.gz DACYRQUVTVCOEZ-QFIPXVFZSA-N 1 1 425.537 1.000 40 0 IDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000306125733 568763958 /nfs/dbraw/zinc/76/39/58/568763958.db2.gz DACYRQUVTVCOEZ-QFIPXVFZSA-N 1 1 425.537 1.000 40 0 IDABMO O=C1CCCN1C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)O1 ZINC000306130924 568766391 /nfs/dbraw/zinc/76/63/91/568766391.db2.gz JSTFAAKNGCUWMG-URXFXBBRSA-N 1 1 429.561 1.896 40 0 IDABMO COc1ncccc1C[N@H+]1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306134700 568768747 /nfs/dbraw/zinc/76/87/47/568768747.db2.gz NVMOJHGWZYUXJS-NRFANRHFSA-N 1 1 425.514 1.466 40 0 IDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccc(F)cc3)C2)cs1 ZINC000306135417 568768882 /nfs/dbraw/zinc/76/88/82/568768882.db2.gz OQCKTFLHNDCUJC-NRFANRHFSA-N 1 1 427.505 1.905 40 0 IDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccc(F)cc4)C2)C3)cs1 ZINC000306136890 568769662 /nfs/dbraw/zinc/76/96/62/568769662.db2.gz QFZHLESEMFBMBG-NRFANRHFSA-N 1 1 427.505 1.806 40 0 IDABMO COc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 ZINC000306139970 568771463 /nfs/dbraw/zinc/77/14/63/568771463.db2.gz UFOJKALTRPKMQF-QFIPXVFZSA-N 1 1 439.541 1.774 40 0 IDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 ZINC000306141159 568771943 /nfs/dbraw/zinc/77/19/43/568771943.db2.gz VMTFRXJMPOIACG-RBUKOAKNSA-N 1 1 432.480 1.720 40 0 IDABMO CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306142509 568772675 /nfs/dbraw/zinc/77/26/75/568772675.db2.gz XBEHOYUCXKVQDB-GOSISDBHSA-N 1 1 428.537 1.605 40 0 IDABMO CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306142510 568772759 /nfs/dbraw/zinc/77/27/59/568772759.db2.gz XBEHOYUCXKVQDB-SFHVURJKSA-N 1 1 428.537 1.605 40 0 IDABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)[nH+]1 ZINC000329043085 568810135 /nfs/dbraw/zinc/81/01/35/568810135.db2.gz SRAOUWAXJJHUKW-SFHVURJKSA-N 1 1 431.562 1.993 40 0 IDABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C2CC2)n1 ZINC000329043085 568810137 /nfs/dbraw/zinc/81/01/37/568810137.db2.gz SRAOUWAXJJHUKW-SFHVURJKSA-N 1 1 431.562 1.993 40 0 IDABMO C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019973375 568876200 /nfs/dbraw/zinc/87/62/00/568876200.db2.gz UIXHJFIXIISIIN-SFHVURJKSA-N 1 1 425.493 1.335 40 0 IDABMO CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000019697493 569229938 /nfs/dbraw/zinc/22/99/38/569229938.db2.gz KEXWOXZYOFQVFY-SFHVURJKSA-N 1 1 428.581 1.680 40 0 IDABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012602567 291321019 /nfs/dbraw/zinc/32/10/19/291321019.db2.gz DYJKWZPGZKXMSS-JRSUCEMESA-N 1 1 427.593 1.685 40 0 biogenic,in-vitro IDABMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958407 521796547 /nfs/dbraw/zinc/79/65/47/521796547.db2.gz SQGPABFIJDWYSY-FLBNHMQKSA-N 1 1 449.507 1.559 40 0 IDABMO COc1cc2[nH+]c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1O ZINC000022060611 523066507 /nfs/dbraw/zinc/06/65/07/523066507.db2.gz DSVHRYIETHRCFI-IBGZPJMESA-N 1 1 437.456 1.415 40 0 in-vitro IDABMO C[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232739 523873287 /nfs/dbraw/zinc/87/32/87/523873287.db2.gz LAGCSVTXXNAXNR-UHFFFAOYSA-N 1 1 435.521 1.945 40 0 IDABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000022829408 524892324 /nfs/dbraw/zinc/89/23/24/524892324.db2.gz QNOXVGFANXWGFK-UHFFFAOYSA-N 1 1 444.601 1.944 40 0 IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]21)NCc1cccs1 ZINC000012530501 526562096 /nfs/dbraw/zinc/56/20/96/526562096.db2.gz WVHJORGZHLUPLB-SCTDSRPQSA-N 1 1 441.557 1.908 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]21)NCc1cccs1 ZINC000012530501 526562099 /nfs/dbraw/zinc/56/20/99/526562099.db2.gz WVHJORGZHLUPLB-SCTDSRPQSA-N 1 1 441.557 1.908 40 0 biogenic,in-vitro IDABMO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1F ZINC000020465236 526629923 /nfs/dbraw/zinc/62/99/23/526629923.db2.gz WETLPHVCWWYBSW-IVAOSVALSA-N 1 1 433.455 1.634 40 0 biogenic,in-vitro IDABMO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1F ZINC000020465236 526629928 /nfs/dbraw/zinc/62/99/28/526629928.db2.gz WETLPHVCWWYBSW-IVAOSVALSA-N 1 1 433.455 1.634 40 0 biogenic,in-vitro IDABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 ZINC000072335907 527390272 /nfs/dbraw/zinc/39/02/72/527390272.db2.gz XQBPHYAGPZJINH-UHFFFAOYSA-N 1 1 446.577 1.782 40 0 IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000002129307 555746261 /nfs/dbraw/zinc/74/62/61/555746261.db2.gz DUCJOSYWMDPMOJ-LNCDPPCRSA-N 1 1 449.507 1.613 40 0 IDABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)CC1 ZINC000408557300 555895137 /nfs/dbraw/zinc/89/51/37/555895137.db2.gz GJWBVGOUPHUOFC-MRXNPFEDSA-N 1 1 425.551 1.269 40 0 IDABMO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000408587644 555937890 /nfs/dbraw/zinc/93/78/90/555937890.db2.gz BTSZZBHDMZVQBA-GOSISDBHSA-N 1 1 439.578 1.243 40 0 IDABMO CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408587000 555939796 /nfs/dbraw/zinc/93/97/96/555939796.db2.gz ATUFOZBFIBEDKJ-UHFFFAOYSA-N 1 1 433.958 1.246 40 0 IDABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 ZINC000408589486 555940431 /nfs/dbraw/zinc/94/04/31/555940431.db2.gz HZQZNCLRKVABPZ-HNNXBMFYSA-N 1 1 429.970 1.913 40 0 IDABMO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408590487 555947767 /nfs/dbraw/zinc/94/77/67/555947767.db2.gz HKWLIDFZGKKDDT-QFIPXVFZSA-N 1 1 445.585 1.723 40 0 IDABMO Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000408596576 555964141 /nfs/dbraw/zinc/96/41/41/555964141.db2.gz WTQZTVYNRKSTPT-UHFFFAOYSA-N 1 1 429.542 1.899 40 0 IDABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000408606221 555966612 /nfs/dbraw/zinc/96/66/12/555966612.db2.gz OGTBHXRNEFJEIE-CQSZACIVSA-N 1 1 433.958 1.244 40 0 IDABMO COCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408601001 555969472 /nfs/dbraw/zinc/96/94/72/555969472.db2.gz DIHHFKJHUWBVHK-UHFFFAOYSA-N 1 1 447.557 1.335 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)Cc1ccc(Br)cc1 ZINC000408621547 555990554 /nfs/dbraw/zinc/99/05/54/555990554.db2.gz NJDOTMDPEOCFIH-UHFFFAOYSA-N 1 1 448.383 1.049 40 0 IDABMO COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000408713770 556126825 /nfs/dbraw/zinc/12/68/25/556126825.db2.gz UUBRGWLRYRRIPZ-UHFFFAOYSA-N 1 1 439.578 1.712 40 0 IDABMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036576374 556307774 /nfs/dbraw/zinc/30/77/74/556307774.db2.gz GHPGYLQPBJKRLB-UWHLTILDSA-N 1 1 440.588 1.955 40 0 IDABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000036569550 556308026 /nfs/dbraw/zinc/30/80/26/556308026.db2.gz VDTPQSMPHAKDCF-DUMQITSDSA-N 1 1 429.448 1.988 40 0 IDABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022921059 556340697 /nfs/dbraw/zinc/34/06/97/556340697.db2.gz IUPRQOBQWGFVQV-WPYKKVEZSA-N 1 1 437.544 1.257 40 0 biogenic,in-vitro IDABMO C[N@@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922879 556341476 /nfs/dbraw/zinc/34/14/76/556341476.db2.gz NQUMJHDZESGPQX-NSHGMRRFSA-N 1 1 446.552 1.147 40 0 biogenic,in-vitro IDABMO C[N@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922879 556341478 /nfs/dbraw/zinc/34/14/78/556341478.db2.gz NQUMJHDZESGPQX-NSHGMRRFSA-N 1 1 446.552 1.147 40 0 biogenic,in-vitro IDABMO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccs2)[N@H+]1C ZINC000022923589 556341888 /nfs/dbraw/zinc/34/18/88/556341888.db2.gz MJHUXKVIVQXWKG-DIJFTKHXSA-N 1 1 434.606 1.539 40 0 biogenic,in-vitro IDABMO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC[NH+]1CCOCC1 ZINC000016428853 556607044 /nfs/dbraw/zinc/60/70/44/556607044.db2.gz DVWUKPXSVUEJFR-UHFFFAOYSA-N 1 1 425.551 1.079 40 0 IDABMO COCc1nc2ccccc2n1CC(=O)N1CC[N@H+](CCc2ccccc2)C[C@H]1C(N)=O ZINC000257318588 556704101 /nfs/dbraw/zinc/70/41/01/556704101.db2.gz VOPHOJPALNWLCR-NRFANRHFSA-N 1 1 435.528 1.424 40 0 IDABMO COCc1nc2ccccc2n1CC(=O)N1CC[N@@H+](CCc2ccccc2)C[C@H]1C(N)=O ZINC000257318588 556704104 /nfs/dbraw/zinc/70/41/04/556704104.db2.gz VOPHOJPALNWLCR-NRFANRHFSA-N 1 1 435.528 1.424 40 0 IDABMO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019134517 556705747 /nfs/dbraw/zinc/70/57/47/556705747.db2.gz VXBUDYGYUHYHQX-SFHVURJKSA-N 1 1 425.533 1.969 40 0 IDABMO Cc1ccc(C2(C[NH+]3CCC(NS(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208398 556708124 /nfs/dbraw/zinc/70/81/24/556708124.db2.gz JHGRWYSSIAUNJF-LJQANCHMSA-N 1 1 426.604 1.598 40 0 IDABMO COc1cc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290674 556715923 /nfs/dbraw/zinc/71/59/23/556715923.db2.gz QDWSPZDRRIOMKL-RUZDIDTESA-N 1 1 441.572 1.825 40 0 IDABMO COc1cc(C[N@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290674 556715926 /nfs/dbraw/zinc/71/59/26/556715926.db2.gz QDWSPZDRRIOMKL-RUZDIDTESA-N 1 1 441.572 1.825 40 0 IDABMO O=C(COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1)N1CCOCC1 ZINC000257306458 556717680 /nfs/dbraw/zinc/71/76/80/556717680.db2.gz SUISHLRTYZUKEU-PMACEKPBSA-N 1 1 439.503 1.200 40 0 IDABMO O=C(COc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCC(F)(F)CC3)C2)cc1)N1CCOCC1 ZINC000257306458 556717686 /nfs/dbraw/zinc/71/76/86/556717686.db2.gz SUISHLRTYZUKEU-PMACEKPBSA-N 1 1 439.503 1.200 40 0 IDABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000019292035 556731670 /nfs/dbraw/zinc/73/16/70/556731670.db2.gz BAFYVYMMJBKAMP-PMACEKPBSA-N 1 1 443.592 1.082 40 0 IDABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N(C)[C@@]4(C)CCS(=O)(=O)C4)ccc3c(=O)n2CC1 ZINC000019448581 556757953 /nfs/dbraw/zinc/75/79/53/556757953.db2.gz KEWMSSZMEIRWCQ-QFIPXVFZSA-N 1 1 446.573 1.312 40 0 IDABMO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@@H](C)C3)[C@]12C ZINC000019496526 556769044 /nfs/dbraw/zinc/76/90/44/556769044.db2.gz METMTICIPCYKOR-CTHITKAISA-N 1 1 439.560 1.968 40 0 IDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019527231 556785418 /nfs/dbraw/zinc/78/54/18/556785418.db2.gz FLEBKTDYCMBGPX-HXOBKFHXSA-N 1 1 428.533 1.427 40 0 IDABMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019530596 556791273 /nfs/dbraw/zinc/79/12/73/556791273.db2.gz WFLFNNVOUSSOAL-QGZVFWFLSA-N 1 1 431.537 1.060 40 0 IDABMO CCOc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019532209 556792637 /nfs/dbraw/zinc/79/26/37/556792637.db2.gz NWLYQQYBXLIAQX-UHFFFAOYSA-N 1 1 435.484 1.653 40 0 IDABMO CCOc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019532209 556792640 /nfs/dbraw/zinc/79/26/40/556792640.db2.gz NWLYQQYBXLIAQX-UHFFFAOYSA-N 1 1 435.484 1.653 40 0 IDABMO Cc1nc(C)c(S(=O)(=O)NCCc2cc(N3CC[NH+](C)CC3)nc(C3CC3)n2)s1 ZINC000019560598 556802069 /nfs/dbraw/zinc/80/20/69/556802069.db2.gz AZOWDNQCUDJMGT-UHFFFAOYSA-N 1 1 436.607 1.700 40 0 IDABMO Cc1c(C(=O)NC[C@H](C)O)sc2nc3n(c(=O)c12)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019565190 556805939 /nfs/dbraw/zinc/80/59/39/556805939.db2.gz AOEJGASUGWSONU-AWEZNQCLSA-N 1 1 426.542 1.935 40 0 IDABMO Cc1c(C(=O)NC[C@H](C)O)sc2nc3n(c(=O)c12)CC[N@H+](Cc1ccccc1)CC3 ZINC000019565190 556805941 /nfs/dbraw/zinc/80/59/41/556805941.db2.gz AOEJGASUGWSONU-AWEZNQCLSA-N 1 1 426.542 1.935 40 0 IDABMO COc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1OC(F)F ZINC000019567247 556807530 /nfs/dbraw/zinc/80/75/30/556807530.db2.gz ZUAULJHOBPBIRW-UHFFFAOYSA-N 1 1 436.459 1.817 40 0 IDABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019570354 556810370 /nfs/dbraw/zinc/81/03/70/556810370.db2.gz DFAXTUURYQNJMD-MRXNPFEDSA-N 1 1 432.546 1.476 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572715 556812990 /nfs/dbraw/zinc/81/29/90/556812990.db2.gz ZBFPUTNAWUUPGF-CQSZACIVSA-N 1 1 438.500 1.745 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019572738 556813410 /nfs/dbraw/zinc/81/34/10/556813410.db2.gz AAKOEEAFUQZGAR-CQSZACIVSA-N 1 1 438.500 1.745 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019572738 556813412 /nfs/dbraw/zinc/81/34/12/556813412.db2.gz AAKOEEAFUQZGAR-CQSZACIVSA-N 1 1 438.500 1.745 40 0 IDABMO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)C1 ZINC000019576102 556815141 /nfs/dbraw/zinc/81/51/41/556815141.db2.gz ZNACGDPKWXENNB-PPPPCMEOSA-N 1 1 449.555 1.626 40 0 IDABMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)C1 ZINC000019576102 556815143 /nfs/dbraw/zinc/81/51/43/556815143.db2.gz ZNACGDPKWXENNB-PPPPCMEOSA-N 1 1 449.555 1.626 40 0 IDABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C1 ZINC000019583653 556821023 /nfs/dbraw/zinc/82/10/23/556821023.db2.gz IYAHFVKTODGWQP-MRXNPFEDSA-N 1 1 447.561 1.345 40 0 IDABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C1 ZINC000019583653 556821026 /nfs/dbraw/zinc/82/10/26/556821026.db2.gz IYAHFVKTODGWQP-MRXNPFEDSA-N 1 1 447.561 1.345 40 0 IDABMO CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019583783 556821383 /nfs/dbraw/zinc/82/13/83/556821383.db2.gz CLTGJAHVJPCGKI-MRXNPFEDSA-N 1 1 449.552 1.453 40 0 IDABMO Cc1nn(CC(C)C)cc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1 ZINC000019698771 556857759 /nfs/dbraw/zinc/85/77/59/556857759.db2.gz QMZCVQHMAQWVDQ-UXHICEINSA-N 1 1 447.605 1.799 40 0 IDABMO CNc1nc(C2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711402 556876200 /nfs/dbraw/zinc/87/62/00/556876200.db2.gz VRNRDCHNGYYIGK-UHFFFAOYSA-N 1 1 428.581 1.861 40 0 IDABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)nc2C)c1 ZINC000019753118 556897003 /nfs/dbraw/zinc/89/70/03/556897003.db2.gz HLZQEVCHCMHDMU-GOSISDBHSA-N 1 1 425.533 1.991 40 0 IDABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)nc2C)c1 ZINC000019753118 556897005 /nfs/dbraw/zinc/89/70/05/556897005.db2.gz HLZQEVCHCMHDMU-GOSISDBHSA-N 1 1 425.533 1.991 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cc[nH]n4)CCO3)nc3ccccc32)CC1 ZINC000019759191 556902890 /nfs/dbraw/zinc/90/28/90/556902890.db2.gz JTYGJCGAVOPAQU-NRFANRHFSA-N 1 1 434.500 1.559 40 0 IDABMO CC(C)OCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019762337 556906602 /nfs/dbraw/zinc/90/66/02/556906602.db2.gz DTCUHNNJDOUICF-JOCHJYFZSA-N 1 1 440.544 1.947 40 0 IDABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)Cc3ccnc(N4CCCC4)n3)cc2)C1 ZINC000072370202 556934003 /nfs/dbraw/zinc/93/40/03/556934003.db2.gz DJRGQRMBLHIHLJ-YADHBBJMSA-N 1 1 436.560 1.756 40 0 IDABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)Cc3ccnc(N4CCCC4)n3)cc2)C1 ZINC000072370202 556934006 /nfs/dbraw/zinc/93/40/06/556934006.db2.gz DJRGQRMBLHIHLJ-YADHBBJMSA-N 1 1 436.560 1.756 40 0 IDABMO COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1OC ZINC000020084132 556979060 /nfs/dbraw/zinc/97/90/60/556979060.db2.gz DUDZGQRGEZBHCQ-LJQANCHMSA-N 1 1 441.536 1.624 40 0 IDABMO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000020107182 556983246 /nfs/dbraw/zinc/98/32/46/556983246.db2.gz QPIIJHYBIOXQJF-UHFFFAOYSA-N 1 1 436.622 1.291 40 0 IDABMO CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000020245194 557002825 /nfs/dbraw/zinc/00/28/25/557002825.db2.gz UYVAPKXXDDCISW-UHFFFAOYSA-N 1 1 434.537 1.783 40 0 IDABMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c1 ZINC000216345516 557143701 /nfs/dbraw/zinc/14/37/01/557143701.db2.gz NVSNFYLLPCCNPS-UHFFFAOYSA-N 1 1 436.622 1.291 40 0 IDABMO CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CC[NH+](C)CC4)cc32)n1 ZINC000096156462 557181118 /nfs/dbraw/zinc/18/11/18/557181118.db2.gz FPIITPICGZHSLN-KRWDZBQOSA-N 1 1 432.550 1.158 40 0 IDABMO C[NH+](C)CCN1[C@H]2CCN(C(=O)c3ccn[nH]3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263979 557191632 /nfs/dbraw/zinc/19/16/32/557191632.db2.gz HWYHRILUEZTLDQ-IRXDYDNUSA-N 1 1 433.534 1.028 40 0 IDABMO CC(=O)N1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000585269627 557212346 /nfs/dbraw/zinc/21/23/46/557212346.db2.gz DLFPETOTTPCLOA-HSZRJFAPSA-N 1 1 427.549 1.100 40 0 IDABMO COCC(=O)N1CC[N@H+](C2CCN(C(C)=O)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283029 557222431 /nfs/dbraw/zinc/22/24/31/557222431.db2.gz OTBMTLRYGADYHJ-DEOSSOPVSA-N 1 1 447.576 1.215 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283200 557222751 /nfs/dbraw/zinc/22/27/51/557222751.db2.gz QZYPKRZCMHPBDQ-NRFANRHFSA-N 1 1 444.475 1.390 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585283765 557223041 /nfs/dbraw/zinc/22/30/41/557223041.db2.gz UNXDENWGWFURKI-NRFANRHFSA-N 1 1 444.475 1.390 40 0 IDABMO CC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284779 557224592 /nfs/dbraw/zinc/22/45/92/557224592.db2.gz ZWSHRSWSAXYFHK-HXUWFJFHSA-N 1 1 430.904 1.295 40 0 IDABMO CC(=O)N1CCC([NH+]2CC3(C2)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2COCCN23)CC1 ZINC000604381942 557236727 /nfs/dbraw/zinc/23/67/27/557236727.db2.gz WCENEOIAFJTSCC-OAQYLSRUSA-N 1 1 446.979 1.562 40 0 biogenic,in-vitro IDABMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220436284 557295201 /nfs/dbraw/zinc/29/52/01/557295201.db2.gz DECGEOYADRNSIK-ZDUSSCGKSA-N 1 1 438.377 1.986 40 0 IDABMO CCOc1ccc(N([C@@H](CC)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000220675237 557305687 /nfs/dbraw/zinc/30/56/87/557305687.db2.gz IZKIFCKXIXQKHO-IBGZPJMESA-N 1 1 427.567 1.468 40 0 IDABMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381090 557331419 /nfs/dbraw/zinc/33/14/19/557331419.db2.gz TYWOLZGGOZTIIF-JASPBSDLSA-N 1 1 433.508 1.593 40 0 IDABMO Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1CCC[NH+]1CCOCC1 ZINC000013511976 557332502 /nfs/dbraw/zinc/33/25/02/557332502.db2.gz RASRRQCOPANSBX-UHFFFAOYSA-N 1 1 435.550 1.520 40 0 IDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222508703 557346183 /nfs/dbraw/zinc/34/61/83/557346183.db2.gz GOMSFWYZQVWNIU-QGZVFWFLSA-N 1 1 435.949 1.862 40 0 IDABMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000113949497 557381138 /nfs/dbraw/zinc/38/11/38/557381138.db2.gz FFJFAMGPQUKSIZ-UHFFFAOYSA-N 1 1 444.395 1.765 40 0 IDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015959501 557467974 /nfs/dbraw/zinc/46/79/74/557467974.db2.gz BDRXNLLNSXNAAR-YWTZNMIMSA-N 1 1 449.463 1.025 40 0 IDABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940404 557510320 /nfs/dbraw/zinc/51/03/20/557510320.db2.gz XEJFLCYRLJNORW-JOCHJYFZSA-N 1 1 445.527 1.908 40 0 IDABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000224395792 557601641 /nfs/dbraw/zinc/60/16/41/557601641.db2.gz AODCZLZCTHITKV-MRXNPFEDSA-N 1 1 427.567 1.563 40 0 IDABMO O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575964 557626089 /nfs/dbraw/zinc/62/60/89/557626089.db2.gz UQJOYHDLRIILKV-UHFFFAOYSA-N 1 1 443.525 1.370 40 0 IDABMO CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000224722870 557644123 /nfs/dbraw/zinc/64/41/23/557644123.db2.gz ZWZHXEKFLNZLMZ-UHFFFAOYSA-N 1 1 446.573 1.448 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC000224754433 557647967 /nfs/dbraw/zinc/64/79/67/557647967.db2.gz ACYAMTUHOANTAL-UHFFFAOYSA-N 1 1 431.558 1.597 40 0 IDABMO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccnc(NS(C)(=O)=O)c3)no2)CC1 ZINC000035425549 560080724 /nfs/dbraw/zinc/08/07/24/560080724.db2.gz YIUWRMJMZBNBMB-INIZCTEOSA-N 1 1 434.522 1.651 40 0 biogenic,in-vitro IDABMO O=C(NC[C@]1(O)C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O)c1cscn1 ZINC000585271253 568617859 /nfs/dbraw/zinc/61/78/59/568617859.db2.gz VNIFVGZTSWYBHN-IRLDBZIGSA-N 1 1 440.525 1.455 40 0 IDABMO CC(C)[N@H+]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@H](C(N)=O)C1 ZINC000257201057 568665472 /nfs/dbraw/zinc/66/54/72/568665472.db2.gz AGABTFRPUTVNKU-INIZCTEOSA-N 1 1 427.471 1.723 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)COc3ccc4c(c3)CCCC4)[C@H]2O)CC1 ZINC000257245489 568686482 /nfs/dbraw/zinc/68/64/82/568686482.db2.gz IPSGIKPVUBCYLI-CQOQZXRMSA-N 1 1 429.561 1.459 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)[C@H]2O)CC1 ZINC000257261303 568693769 /nfs/dbraw/zinc/69/37/69/568693769.db2.gz LGQCLVRVDGKYCA-NJDAHSKKSA-N 1 1 429.496 1.344 40 0 IDABMO Cc1nccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257275294 568700013 /nfs/dbraw/zinc/70/00/13/568700013.db2.gz NOSQLZDAFLMIFS-UGKGYDQZSA-N 1 1 437.544 1.859 40 0 IDABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)CO)c2)cc1 ZINC000257282078 568702880 /nfs/dbraw/zinc/70/28/80/568702880.db2.gz OSGHYQRHDKZVJY-FCHUYYIVSA-N 1 1 425.529 1.308 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC[C@@H]2O)CC1 ZINC000257293736 568708491 /nfs/dbraw/zinc/70/84/91/568708491.db2.gz QQYYFTCMRRUMJO-GOTSBHOMSA-N 1 1 429.561 1.460 40 0 IDABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)n1 ZINC000306138292 568770514 /nfs/dbraw/zinc/77/05/14/568770514.db2.gz RUEVJGBWWLKISK-HSZRJFAPSA-N 1 1 425.533 1.864 40 0 IDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306141157 568771884 /nfs/dbraw/zinc/77/18/84/568771884.db2.gz VMTFRXJMPOIACG-MOPGFXCFSA-N 1 1 432.480 1.720 40 0 IDABMO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCCc2ccccc2)O3)n1 ZINC000306143383 568773128 /nfs/dbraw/zinc/77/31/28/568773128.db2.gz YAVBGFSRUAWSGT-FQEVSTJZSA-N 1 1 425.533 1.084 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000101452018 568837952 /nfs/dbraw/zinc/83/79/52/568837952.db2.gz XNXNWJFYULHZJU-UKDJSQQHSA-N 1 1 447.491 1.589 40 0 IDABMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016013441 568862885 /nfs/dbraw/zinc/86/28/85/568862885.db2.gz JDIRXVFLIVGBPN-HAOYMYTASA-N 1 1 443.862 1.781 40 0 IDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249700069 569207774 /nfs/dbraw/zinc/20/77/74/569207774.db2.gz XFNASZKKNLWFAK-OYNPSCLESA-N 1 1 426.561 1.576 40 0 IDABMO O=C(CC[C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339553 569226389 /nfs/dbraw/zinc/22/63/89/569226389.db2.gz HPVXQWRBIQVMKH-RTBURBONSA-N 1 1 437.544 1.998 40 0 IDABMO O=C(CC[C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339553 569226390 /nfs/dbraw/zinc/22/63/90/569226390.db2.gz HPVXQWRBIQVMKH-RTBURBONSA-N 1 1 437.544 1.998 40 0 IDABMO CN(CCOC[C@@H]1CCCCO1)C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586146 569227293 /nfs/dbraw/zinc/22/72/93/569227293.db2.gz GKLPXWWPAKIELI-UXHICEINSA-N 1 1 446.592 1.803 40 0 IDABMO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](CC4CC4)C[C@@H]13)O2 ZINC000253399065 569264799 /nfs/dbraw/zinc/26/47/99/569264799.db2.gz IDTUVKSPCDODJL-ZJOUEHCJSA-N 1 1 425.529 1.835 40 0 IDABMO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H](CNC(=O)Nc2ccc(F)cc2F)O[C@@H](CO)[C@H]1O ZINC000020465893 522967062 /nfs/dbraw/zinc/96/70/62/522967062.db2.gz KDZXCPBBSKQKMV-FUMNGEBKSA-N 1 1 436.459 1.145 40 0 biogenic,in-vitro IDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375297 523945963 /nfs/dbraw/zinc/94/59/63/523945963.db2.gz OPNZIEVNEBUACP-DTRWXKKZSA-N 1 1 436.306 1.349 40 0 IDABMO Cc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000021936089 525216851 /nfs/dbraw/zinc/21/68/51/525216851.db2.gz OAMRRNFILZMCFK-UHFFFAOYSA-N 1 1 431.558 1.910 40 0 IDABMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959442 526221378 /nfs/dbraw/zinc/22/13/78/526221378.db2.gz OJLSSLQLXZDJDV-DJXPEODFSA-N 1 1 433.508 1.647 40 0 IDABMO O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCC[NH+]1CCOCC1 ZINC000022401866 526704589 /nfs/dbraw/zinc/70/45/89/526704589.db2.gz UZLSGJZIKXUCIC-UHFFFAOYSA-N 1 1 441.550 1.921 40 0 IDABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464681 527600653 /nfs/dbraw/zinc/60/06/53/527600653.db2.gz AZJJGOQOFMAZJT-NAVOZUGXSA-N 1 1 448.510 1.788 40 0 biogenic,in-vitro IDABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020460208 527671683 /nfs/dbraw/zinc/67/16/83/527671683.db2.gz MHCIVHIRWFSBET-NRFANRHFSA-N 1 1 437.606 1.500 40 0 IDABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000100203951 555701908 /nfs/dbraw/zinc/70/19/08/555701908.db2.gz HUDGZKHOKLTZCH-LPSTTYAQSA-N 1 1 435.411 1.986 40 0 IDABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000100203951 555701914 /nfs/dbraw/zinc/70/19/14/555701914.db2.gz HUDGZKHOKLTZCH-LPSTTYAQSA-N 1 1 435.411 1.986 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000035096659 555747237 /nfs/dbraw/zinc/74/72/37/555747237.db2.gz UBUUKFYNWAOISX-OAQYLSRUSA-N 1 1 431.558 1.415 40 0 IDABMO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000408597982 555955919 /nfs/dbraw/zinc/95/59/19/555955919.db2.gz YMSBBWNLRQLGGL-UHFFFAOYSA-N 1 1 439.578 1.387 40 0 IDABMO COc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000408627777 555998629 /nfs/dbraw/zinc/99/86/29/555998629.db2.gz POQXENTYKYDWGF-UHFFFAOYSA-N 1 1 447.557 1.729 40 0 IDABMO COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408674755 556066148 /nfs/dbraw/zinc/06/61/48/556066148.db2.gz CCZQTUVPABPLBJ-UHFFFAOYSA-N 1 1 439.578 1.758 40 0 IDABMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408709725 556117826 /nfs/dbraw/zinc/11/78/26/556117826.db2.gz GLUBTVWPYYZNDA-UHFFFAOYSA-N 1 1 438.528 1.702 40 0 IDABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922578 556341446 /nfs/dbraw/zinc/34/14/46/556341446.db2.gz ZJIYVWWCZMLQJJ-WEYGHZABSA-N 1 1 426.517 1.455 40 0 biogenic,in-vitro IDABMO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2)[N@H+]1C ZINC000022923605 556341932 /nfs/dbraw/zinc/34/19/32/556341932.db2.gz RDMOORNNVQKDOS-KPYOPSEVSA-N 1 1 444.576 1.183 40 0 biogenic,in-vitro IDABMO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000013679680 556556172 /nfs/dbraw/zinc/55/61/72/556556172.db2.gz JIKRGRTUENZQEK-AWEZNQCLSA-N 1 1 433.958 1.342 40 0 IDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(C4Cc5ccccc5C4)C3)C2)c1 ZINC000514289482 556623520 /nfs/dbraw/zinc/62/35/20/556623520.db2.gz MCNIPAARHMAPAD-LOSJGSFVSA-N 1 1 447.579 1.946 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(C4Cc5ccccc5C4)C3)C2)c1 ZINC000514289482 556623522 /nfs/dbraw/zinc/62/35/22/556623522.db2.gz MCNIPAARHMAPAD-LOSJGSFVSA-N 1 1 447.579 1.946 40 0 biogenic,in-vitro IDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000514289483 556623914 /nfs/dbraw/zinc/62/39/14/556623914.db2.gz MHPWXXQUJCNITR-LEWJYISDSA-N 1 1 435.524 1.490 40 0 biogenic,in-vitro IDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000514289483 556623916 /nfs/dbraw/zinc/62/39/16/556623916.db2.gz MHPWXXQUJCNITR-LEWJYISDSA-N 1 1 435.524 1.490 40 0 biogenic,in-vitro IDABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)[nH]c(=O)c2C1 ZINC000019290880 556731119 /nfs/dbraw/zinc/73/11/19/556731119.db2.gz SSWRFGHMZICTFA-QGZVFWFLSA-N 1 1 448.527 1.700 40 0 IDABMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292017 556731808 /nfs/dbraw/zinc/73/18/08/556731808.db2.gz CDPRIHLFTNNDMA-WOJBJXKFSA-N 1 1 443.592 1.082 40 0 IDABMO O=C(CC[C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339549 556739750 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CCCNC(=O)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289327 556625732 /nfs/dbraw/zinc/62/57/32/556625732.db2.gz QHDBSZVKXYPNKE-OKZBNKHCSA-N 1 1 430.471 1.665 40 0 biogenic,in-vitro IDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cnc4ccccc4c3)C2)C1 ZINC000514290138 556626166 /nfs/dbraw/zinc/62/61/66/556626166.db2.gz UIPQKNOBOLYYME-FCHUYYIVSA-N 1 1 429.524 1.775 40 0 biogenic,in-vitro IDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cnc4ccccc4c3)C2)C1 ZINC000514290138 556626167 /nfs/dbraw/zinc/62/61/67/556626167.db2.gz UIPQKNOBOLYYME-FCHUYYIVSA-N 1 1 429.524 1.775 40 0 biogenic,in-vitro IDABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1NC(C)=O ZINC000017333568 556675884 /nfs/dbraw/zinc/67/58/84/556675884.db2.gz MWNHUMXYVDXWBS-UHFFFAOYSA-N 1 1 433.530 1.964 40 0 IDABMO Cc1cc(C)nc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)n1 ZINC000019118779 556700513 /nfs/dbraw/zinc/70/05/13/556700513.db2.gz XKJOZYCEPNMOKK-OAQYLSRUSA-N 1 1 445.589 1.661 40 0 IDABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257324127 556704872 /nfs/dbraw/zinc/70/48/72/556704872.db2.gz WNHBNSRHCOIDGW-XMMPIXPASA-N 1 1 439.560 1.941 40 0 IDABMO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019134513 556705384 /nfs/dbraw/zinc/70/53/84/556705384.db2.gz VXBUDYGYUHYHQX-GOSISDBHSA-N 1 1 425.533 1.969 40 0 IDABMO COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCC[NH+](C)C ZINC000257227102 556708618 /nfs/dbraw/zinc/70/86/18/556708618.db2.gz FNQMZSSHBFVZLW-FAYOUJPWSA-N 1 1 449.592 1.645 40 0 IDABMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292016 556731697 /nfs/dbraw/zinc/73/16/97/556731697.db2.gz CDPRIHLFTNNDMA-UXHICEINSA-N 1 1 443.592 1.082 40 0 IDABMO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)c1ccccc1 ZINC000019449963 556760791 /nfs/dbraw/zinc/76/07/91/556760791.db2.gz BTNKAACYVBBYMD-NHCUHLMSSA-N 1 1 437.544 1.769 40 0 IDABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)c1ccccc1 ZINC000019449963 556760793 /nfs/dbraw/zinc/76/07/93/556760793.db2.gz BTNKAACYVBBYMD-NHCUHLMSSA-N 1 1 437.544 1.769 40 0 IDABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555216 556798324 /nfs/dbraw/zinc/79/83/24/556798324.db2.gz ROFOTPLDXVRYBM-INIZCTEOSA-N 1 1 432.546 1.476 40 0 IDABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 ZINC000019570679 556810767 /nfs/dbraw/zinc/81/07/67/556810767.db2.gz KZHAAMWOEWJTBR-SFHVURJKSA-N 1 1 448.527 1.962 40 0 IDABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 ZINC000019570679 556810773 /nfs/dbraw/zinc/81/07/73/556810773.db2.gz KZHAAMWOEWJTBR-SFHVURJKSA-N 1 1 448.527 1.962 40 0 IDABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN4S(=O)(=O)N(C)C)[nH]c(=O)c3C2)cc1 ZINC000019583692 556820923 /nfs/dbraw/zinc/82/09/23/556820923.db2.gz JUNCIMXXSAZTPB-LJQANCHMSA-N 1 1 447.561 1.692 40 0 IDABMO CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CC[NH+]3CCOCC3)nc(N(C)C)c2C1 ZINC000019710255 556872138 /nfs/dbraw/zinc/87/21/38/556872138.db2.gz FFPKMLNWIXNASQ-HXUWFJFHSA-N 1 1 444.580 1.223 40 0 IDABMO O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000019751574 556895485 /nfs/dbraw/zinc/89/54/85/556895485.db2.gz ITKIJMHOXMGURB-HXUWFJFHSA-N 1 1 426.492 1.614 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)CN4CCCC4=O)C3)nc3ccccc32)CC1 ZINC000019761209 556904540 /nfs/dbraw/zinc/90/45/40/556904540.db2.gz XSNYIXVQFSILPB-SFHVURJKSA-N 1 1 449.555 1.561 40 0 IDABMO CC(C)[C@@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 ZINC000072341214 556913625 /nfs/dbraw/zinc/91/36/25/556913625.db2.gz XHIMYCXSZDYZJZ-SJLPKXTDSA-N 1 1 431.562 1.599 40 0 IDABMO CN(c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937871 556952044 /nfs/dbraw/zinc/95/20/44/556952044.db2.gz HUFJIBMPRGFPJB-UHFFFAOYSA-N 1 1 447.557 1.729 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008271 556959418 /nfs/dbraw/zinc/95/94/18/556959418.db2.gz RACUUZLSTAAMND-NRFANRHFSA-N 1 1 449.548 1.554 40 0 IDABMO COc1ccccc1[C@@H]1NC2=NCN(N3CC[NH+](C)CC3)CN2c2nc3ccccc3n21 ZINC000020220175 557000490 /nfs/dbraw/zinc/00/04/90/557000490.db2.gz VKWVLZJQWXXAJN-OAQYLSRUSA-N 1 1 432.532 1.750 40 0 IDABMO O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC000585108693 557043866 /nfs/dbraw/zinc/04/38/66/557043866.db2.gz APVZHGJJZWXDEU-GVDBMIGSSA-N 1 1 428.455 1.576 40 0 IDABMO CN1CCN(CC(C)(C)C[N@@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)CC1 ZINC000023093266 557063127 /nfs/dbraw/zinc/06/31/27/557063127.db2.gz UBXDXFKSRVHODZ-RCZVLFRGSA-N 1 1 431.669 1.835 40 0 IDABMO CN1CCN(CC(C)(C)C[N@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)CC1 ZINC000023093266 557063129 /nfs/dbraw/zinc/06/31/29/557063129.db2.gz UBXDXFKSRVHODZ-RCZVLFRGSA-N 1 1 431.669 1.835 40 0 IDABMO 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437.544 1.998 40 0 IDABMO CN(C)c1cc([C@@H]2CC(=O)N(C)C2)nc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000019697494 569229930 /nfs/dbraw/zinc/22/99/30/569229930.db2.gz KEXWOXZYOFQVFY-GOSISDBHSA-N 1 1 428.581 1.680 40 0 IDABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C(=O)N1Cc1ccccc1F ZINC000225391350 291328486 /nfs/dbraw/zinc/32/84/86/291328486.db2.gz DCUDTJDRGGRNCR-AEFFLSMTSA-N 1 1 437.462 1.762 40 0 biogenic,in-vitro IDABMO Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000005926511 132275733 /nfs/dbraw/zinc/27/57/33/132275733.db2.gz MGZXEEDFUKHGJO-UHFFFAOYSA-N 1 1 427.578 1.373 40 0 IDABMO CC(C)[N@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C ZINC000035442443 519688756 /nfs/dbraw/zinc/68/87/56/519688756.db2.gz BVXUZVKDYZLQIW-XJUOHMSHSA-N 1 1 427.593 1.397 40 0 biogenic,in-vitro IDABMO CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)[N@@H+]2C ZINC000035442443 519688757 /nfs/dbraw/zinc/68/87/57/519688757.db2.gz BVXUZVKDYZLQIW-XJUOHMSHSA-N 1 1 427.593 1.397 40 0 biogenic,in-vitro IDABMO CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)[N@H+]2C ZINC000035442443 519688758 /nfs/dbraw/zinc/68/87/58/519688758.db2.gz BVXUZVKDYZLQIW-XJUOHMSHSA-N 1 1 427.593 1.397 40 0 biogenic,in-vitro IDABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@H+]3C3CCOCC3)N2C)cc1 ZINC000035442414 524048382 /nfs/dbraw/zinc/04/83/82/524048382.db2.gz DEHYVHWLVUOPJN-WPYKKVEZSA-N 1 1 444.576 1.144 40 0 biogenic,in-vitro IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000035363844 524444778 /nfs/dbraw/zinc/44/47/78/524444778.db2.gz DUCJOSYWMDPMOJ-PILDZVQMSA-N 1 1 449.507 1.613 40 0 IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cccc2C ZINC000020610503 524445061 /nfs/dbraw/zinc/44/50/61/524445061.db2.gz PPCAFGJIMNCBIO-XYTYDFFKSA-N 1 1 435.480 1.305 40 0 IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cccc2C ZINC000035363833 524445177 /nfs/dbraw/zinc/44/51/77/524445177.db2.gz PPCAFGJIMNCBIO-VBXZMTOYSA-N 1 1 435.480 1.305 40 0 IDABMO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000020464773 526629999 /nfs/dbraw/zinc/62/99/99/526629999.db2.gz FQMALKNLIOKHRC-CLAROIROSA-N 1 1 426.517 1.120 40 0 biogenic,in-vitro IDABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000020458256 527383370 /nfs/dbraw/zinc/38/33/70/527383370.db2.gz MHYHHQBDHFJXRV-UHFFFAOYSA-N 1 1 442.497 1.992 40 0 IDABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000020464680 527600064 /nfs/dbraw/zinc/60/00/64/527600064.db2.gz AZJJGOQOFMAZJT-UEQSERJNSA-N 1 1 448.510 1.788 40 0 biogenic,in-vitro IDABMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)c(C)c1 ZINC000408591144 555951061 /nfs/dbraw/zinc/95/10/61/555951061.db2.gz JCKWIORBXOLDPP-FQEVSTJZSA-N 1 1 437.606 1.851 40 0 IDABMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000408593422 555959197 /nfs/dbraw/zinc/95/91/97/555959197.db2.gz NPHYGMIPELXPAJ-GOSISDBHSA-N 1 1 439.578 1.325 40 0 IDABMO CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408593689 555959941 /nfs/dbraw/zinc/95/99/41/555959941.db2.gz NUIFYSAGVQBHMW-UHFFFAOYSA-N 1 1 433.958 1.244 40 0 IDABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000408702199 556104812 /nfs/dbraw/zinc/10/48/12/556104812.db2.gz LJASQWJABITQFV-UHFFFAOYSA-N 1 1 439.578 1.568 40 0 IDABMO Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000408709649 556116072 /nfs/dbraw/zinc/11/60/72/556116072.db2.gz DFTRQFWLUBGOMI-UHFFFAOYSA-N 1 1 438.528 1.702 40 0 IDABMO CN1CCC([N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)CC1 ZINC000022922794 556341301 /nfs/dbraw/zinc/34/13/01/556341301.db2.gz NYCKATYKMNRHMG-XJUOHMSHSA-N 1 1 445.583 1.189 40 0 biogenic,in-vitro IDABMO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@H]2c1ccccn1 ZINC000012952544 556418596 /nfs/dbraw/zinc/41/85/96/556418596.db2.gz NXOACBKUEYYEQP-BRNYJPRKSA-N 1 1 438.484 1.038 40 0 IDABMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@H]2c1ccccn1 ZINC000012952544 556418597 /nfs/dbraw/zinc/41/85/97/556418597.db2.gz NXOACBKUEYYEQP-BRNYJPRKSA-N 1 1 438.484 1.038 40 0 IDABMO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCC[NH+]1CCOCC1 ZINC000016490341 556612354 /nfs/dbraw/zinc/61/23/54/556612354.db2.gz WBRLNKUODPAUEM-UHFFFAOYSA-N 1 1 433.530 1.705 40 0 IDABMO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514288453 556624620 /nfs/dbraw/zinc/62/46/20/556624620.db2.gz AGMFNGGUXOBIJE-FGZHOGPDSA-N 1 1 435.524 1.619 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(=O)c4ccccc4)C3)C2)c1 ZINC000514288804 556624975 /nfs/dbraw/zinc/62/49/75/556624975.db2.gz FFBGZSZCPTUZSG-FGZHOGPDSA-N 1 1 435.524 1.619 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C3(CN(C(=O)c4ccccc4)C3)C2)c1 ZINC000514288804 556624977 /nfs/dbraw/zinc/62/49/77/556624977.db2.gz FFBGZSZCPTUZSG-FGZHOGPDSA-N 1 1 435.524 1.619 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)c4ccccc4)C3)C2)c1 ZINC000514288804 556624980 /nfs/dbraw/zinc/62/49/80/556624980.db2.gz FFBGZSZCPTUZSG-FGZHOGPDSA-N 1 1 435.524 1.619 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(C[N@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)c4ccccc4)C3)C2)c1 ZINC000514288804 556624981 /nfs/dbraw/zinc/62/49/81/556624981.db2.gz FFBGZSZCPTUZSG-FGZHOGPDSA-N 1 1 435.524 1.619 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290029 556626130 /nfs/dbraw/zinc/62/61/30/556626130.db2.gz RLGDWZHBNKRQTR-XZOQPEGZSA-N 1 1 449.551 1.548 40 0 biogenic,in-vitro IDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290029 556626132 /nfs/dbraw/zinc/62/61/32/556626132.db2.gz RLGDWZHBNKRQTR-XZOQPEGZSA-N 1 1 449.551 1.548 40 0 biogenic,in-vitro IDABMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217418 556687345 /nfs/dbraw/zinc/68/73/45/556687345.db2.gz CZLBPTVADCKJOX-UHFFFAOYSA-N 1 1 431.558 1.764 40 0 IDABMO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(=O)n1C ZINC000019131675 556704390 /nfs/dbraw/zinc/70/43/90/556704390.db2.gz PVMINSODWYSLPI-IBGZPJMESA-N 1 1 425.533 1.911 40 0 IDABMO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(=O)n1C ZINC000019131679 556704435 /nfs/dbraw/zinc/70/44/35/556704435.db2.gz PVMINSODWYSLPI-LJQANCHMSA-N 1 1 425.533 1.911 40 0 IDABMO CC(=O)NC1CCN(C[C@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264531 556713002 /nfs/dbraw/zinc/71/30/02/556713002.db2.gz LUVXQJNTLOLYKN-XMMPIXPASA-N 1 1 430.593 1.056 40 0 IDABMO CC(=O)NC1CCN(C[C@]2(O)CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264531 556713003 /nfs/dbraw/zinc/71/30/03/556713003.db2.gz LUVXQJNTLOLYKN-XMMPIXPASA-N 1 1 430.593 1.056 40 0 IDABMO O=C(C[C@@H]1CCCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339521 556739871 /nfs/dbraw/zinc/73/98/71/556739871.db2.gz YOLNVQXMWBOMAB-OALUTQOASA-N 1 1 437.544 1.998 40 0 IDABMO O=C(C[C@@H]1CCCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339521 556739874 /nfs/dbraw/zinc/73/98/74/556739874.db2.gz YOLNVQXMWBOMAB-OALUTQOASA-N 1 1 437.544 1.998 40 0 IDABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000019372512 556749220 /nfs/dbraw/zinc/74/92/20/556749220.db2.gz GEMQBQGHFLCOLR-DHIUTWEWSA-N 1 1 439.531 1.893 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019572709 556813005 /nfs/dbraw/zinc/81/30/05/556813005.db2.gz NMESQNZWBRLZEC-CYBMUJFWSA-N 1 1 438.500 1.745 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019572709 556813007 /nfs/dbraw/zinc/81/30/07/556813007.db2.gz NMESQNZWBRLZEC-CYBMUJFWSA-N 1 1 438.500 1.745 40 0 IDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019576007 556814970 /nfs/dbraw/zinc/81/49/70/556814970.db2.gz XFNASZKKNLWFAK-KCLUMXDGSA-N 1 1 426.561 1.576 40 0 IDABMO Cc1c(C[N@H+]2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C ZINC000019577095 556815252 /nfs/dbraw/zinc/81/52/52/556815252.db2.gz ZYTHLCSBBKUKAA-QFIPXVFZSA-N 1 1 446.551 1.850 40 0 IDABMO CN(C)S(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019583669 556820937 /nfs/dbraw/zinc/82/09/37/556820937.db2.gz SLRUEWCPNPXBIH-AWEZNQCLSA-N 1 1 437.591 1.788 40 0 IDABMO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C4CC4)[nH]n3)CC1)C2=O ZINC000019700687 556860282 /nfs/dbraw/zinc/86/02/82/556860282.db2.gz MGGYTSKSRTUILF-UHFFFAOYSA-N 1 1 442.564 1.936 40 0 IDABMO CNc1nc([C@H]2CCCCN2C(=O)CCN2C(=O)CCCC2=O)nc2c1CC[N@H+](C)C2 ZINC000019708679 556869760 /nfs/dbraw/zinc/86/97/60/556869760.db2.gz DYBJDILVHZGQCL-QGZVFWFLSA-N 1 1 428.537 1.489 40 0 IDABMO CNc1nc([C@H]2CCCCN2C(=O)CCN2C(=O)CCCC2=O)nc2c1CC[N@@H+](C)C2 ZINC000019708679 556869764 /nfs/dbraw/zinc/86/97/64/556869764.db2.gz DYBJDILVHZGQCL-QGZVFWFLSA-N 1 1 428.537 1.489 40 0 IDABMO Cc1nc([C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741330 556883311 /nfs/dbraw/zinc/88/33/11/556883311.db2.gz ORYPINOHCJSHPS-IBGZPJMESA-N 1 1 441.576 1.903 40 0 IDABMO Cn1cc(C(=O)N2CC[C@@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)cn1 ZINC000019756944 556901146 /nfs/dbraw/zinc/90/11/46/556901146.db2.gz BIIQPVBPQSKLOL-QGZVFWFLSA-N 1 1 432.528 1.986 40 0 IDABMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327619 556904502 /nfs/dbraw/zinc/90/45/02/556904502.db2.gz OVXSFRDJNVSIEU-HOYKHHGWSA-N 1 1 443.544 1.630 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)Cn4cccn4)CCO3)nc3ccccc32)CC1 ZINC000019762177 556906242 /nfs/dbraw/zinc/90/62/42/556906242.db2.gz SKVNZKUBOBEFPS-QFIPXVFZSA-N 1 1 448.527 1.419 40 0 IDABMO O=C(NC[C@@H]1CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334429 556907044 /nfs/dbraw/zinc/90/70/44/556907044.db2.gz ZHMMOKRGUCBQTB-OWHZGTRUSA-N 1 1 435.524 1.975 40 0 IDABMO Cn1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)cn1 ZINC000019762583 556907109 /nfs/dbraw/zinc/90/71/09/556907109.db2.gz JDIIXMNNSQDUSV-JOCHJYFZSA-N 1 1 448.527 1.570 40 0 IDABMO COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CC[C@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340219 556912019 /nfs/dbraw/zinc/91/20/19/556912019.db2.gz ZDWOERGMCZMBSD-GEQKSPFYSA-N 1 1 430.501 1.409 40 0 IDABMO COc1ncc(C[N@H+]2C[C@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cc1C ZINC000585101903 557035108 /nfs/dbraw/zinc/03/51/08/557035108.db2.gz IRLBTWLIFNVNAD-GOSISDBHSA-N 1 1 429.521 1.678 40 0 IDABMO CN(Cc1ncccn1)C(=O)[C@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102006 557035498 /nfs/dbraw/zinc/03/54/98/557035498.db2.gz VXSIHCJEMWKEBQ-OAQYLSRUSA-N 1 1 440.544 1.735 40 0 IDABMO CN(Cc1ncccn1)C(=O)[C@@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102005 557035775 /nfs/dbraw/zinc/03/57/75/557035775.db2.gz VXSIHCJEMWKEBQ-NRFANRHFSA-N 1 1 440.544 1.735 40 0 IDABMO Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096251506 557188943 /nfs/dbraw/zinc/18/89/43/557188943.db2.gz PBLBCDOWUXGGEK-OFNKIYASSA-N 1 1 444.580 1.009 40 0 IDABMO Cn1ccc(C(=O)N2CCC(COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000585269014 557210271 /nfs/dbraw/zinc/21/02/71/557210271.db2.gz HNMCGSVCHBJUNL-UHFFFAOYSA-N 1 1 439.560 1.886 40 0 IDABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282324 557221645 /nfs/dbraw/zinc/22/16/45/557221645.db2.gz DMKSSUHGPHNCJQ-SJBKTWHCSA-N 1 1 437.606 1.357 40 0 IDABMO CCOC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283028 557222300 /nfs/dbraw/zinc/22/23/00/557222300.db2.gz OSTWIYQQDYGELV-QHCPKHFHSA-N 1 1 433.549 1.890 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283202 557222742 /nfs/dbraw/zinc/22/27/42/557222742.db2.gz QZYPKRZCMHPBDQ-OAQYLSRUSA-N 1 1 444.475 1.390 40 0 IDABMO Cc1cccc(N2CCC(O)(C[N@H+]3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 ZINC000585284687 557224142 /nfs/dbraw/zinc/22/41/42/557224142.db2.gz VEXZADPCQRZZDC-VXKWHMMOSA-N 1 1 429.561 1.417 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2[C@@H](CNC(C)=O)C[C@]3(C)[C@H]2CCCC[C@]3(C)O)CC1 ZINC000585285070 557225006 /nfs/dbraw/zinc/22/50/06/557225006.db2.gz VTWBTODYQNHUCY-CZAYHTPWSA-N 1 1 439.597 1.880 40 0 IDABMO C[N@@H+](C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)CC12CC3CC(CC(C3)C1)C2 ZINC000585290757 557227881 /nfs/dbraw/zinc/22/78/81/557227881.db2.gz DRWQLAKSHRMRQL-YPRJBKHQSA-N 1 1 434.602 1.931 40 0 IDABMO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000585290823 557228376 /nfs/dbraw/zinc/22/83/76/557228376.db2.gz FZPIHERZHCOGIS-MJGOQNOKSA-N 1 1 436.921 1.102 40 0 IDABMO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCOCC1)CC3 ZINC000100234231 557252378 /nfs/dbraw/zinc/25/23/78/557252378.db2.gz SJQNCEIQYUKNBQ-LJQANCHMSA-N 1 1 428.537 1.197 40 0 IDABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CC[NH+](C)CC3)cc2c1 ZINC000022929145 557277469 /nfs/dbraw/zinc/27/74/69/557277469.db2.gz YLIZIECGSDPRBJ-OAQYLSRUSA-N 1 1 449.515 1.891 40 0 IDABMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220199470 557285024 /nfs/dbraw/zinc/28/50/24/557285024.db2.gz QUHFILVNZMTHJZ-AWEZNQCLSA-N 1 1 437.484 1.698 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000013566844 557345379 /nfs/dbraw/zinc/34/53/79/557345379.db2.gz HFDGQPHPRJTQHG-UHFFFAOYSA-N 1 1 434.356 1.054 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000013566735 557345417 /nfs/dbraw/zinc/34/54/17/557345417.db2.gz XGBYALLGPMCHFZ-UHFFFAOYSA-N 1 1 438.377 1.594 40 0 IDABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959536 557467983 /nfs/dbraw/zinc/46/79/83/557467983.db2.gz RPQFRVHPUSVADI-CPQDGOSYSA-N 1 1 433.508 1.647 40 0 IDABMO COCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824730 557508489 /nfs/dbraw/zinc/50/84/89/557508489.db2.gz USJCFICHGDDCHQ-UHFFFAOYSA-N 1 1 448.589 1.582 40 0 IDABMO CN(c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1)S(C)(=O)=O ZINC000224586965 557627570 /nfs/dbraw/zinc/62/75/70/557627570.db2.gz VDMAHTNTECFISW-UHFFFAOYSA-N 1 1 447.557 1.610 40 0 IDABMO CC(=O)NC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616782 /nfs/dbraw/zinc/61/67/82/568616782.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 1 1 441.576 1.499 40 0 IDABMO CC(=O)NC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616784 /nfs/dbraw/zinc/61/67/84/568616784.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 1 1 441.576 1.499 40 0 IDABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000585270268 568616908 /nfs/dbraw/zinc/61/69/08/568616908.db2.gz SHCPLMIBXINTHT-HXUWFJFHSA-N 1 1 444.528 1.805 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cc(C)n(-c4ccccc4)n3)[C@H]2O)CC1 ZINC000257202219 568666130 /nfs/dbraw/zinc/66/61/30/568666130.db2.gz AKYUKDJQHQADKP-YPAWHYETSA-N 1 1 425.533 1.309 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3nc4cc(Cl)ccc4[nH]3)CC[C@@H]2O)CC1 ZINC000257242965 568685290 /nfs/dbraw/zinc/68/52/90/568685290.db2.gz IEXUIRXSHMZPLU-PMACEKPBSA-N 1 1 447.967 1.665 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cccc(Cc4ccccc4)n3)CC[C@@H]2O)CC1 ZINC000257253935 568690441 /nfs/dbraw/zinc/69/04/41/568690441.db2.gz KAXPKLYWRVWBJY-ZEQRLZLVSA-N 1 1 436.556 1.802 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC[C@@H]2O)CC1 ZINC000257261339 568693809 /nfs/dbraw/zinc/69/38/09/568693809.db2.gz LGWTULJPOAXUJT-OALUTQOASA-N 1 1 427.904 1.374 40 0 IDABMO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 ZINC000257285939 568704795 /nfs/dbraw/zinc/70/47/95/568704795.db2.gz PJMNOUGRRHNABS-OAQYLSRUSA-N 1 1 437.544 1.033 40 0 IDABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 ZINC000257285939 568704796 /nfs/dbraw/zinc/70/47/96/568704796.db2.gz PJMNOUGRRHNABS-OAQYLSRUSA-N 1 1 437.544 1.033 40 0 IDABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3ccc[nH]3)CCO2)CC1 ZINC000257298061 568710425 /nfs/dbraw/zinc/71/04/25/568710425.db2.gz RJYNRBQLTMQVPI-QHCPKHFHSA-N 1 1 430.524 1.968 40 0 IDABMO COc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306123984 568763050 /nfs/dbraw/zinc/76/30/50/568763050.db2.gz BCFLDSSVRSZCIE-JOCHJYFZSA-N 1 1 439.541 1.774 40 0 IDABMO Cn1nccc1C(=O)N1CCC2(CC1)C[N@@H+](C)C[C@H](C(=O)NCc1ccc(F)cc1)O2 ZINC000306126735 568764512 /nfs/dbraw/zinc/76/45/12/568764512.db2.gz FDSJNNJHHOORFA-LJQANCHMSA-N 1 1 429.496 1.181 40 0 IDABMO COc1ccccc1C[N@H+]1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306130942 568766487 /nfs/dbraw/zinc/76/64/87/568766487.db2.gz JSZGQWHECQQSGO-JOCHJYFZSA-N 1 1 439.541 1.774 40 0 IDABMO CC(C)N1[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N(C)c2ncccc2S1(=O)=O ZINC000306131331 568766716 /nfs/dbraw/zinc/76/67/16/568766716.db2.gz KCBLEAYNWBIJOF-IRXDYDNUSA-N 1 1 430.530 1.912 40 0 IDABMO CC(C)N1[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N(C)c2ncccc2S1(=O)=O ZINC000306131331 568766717 /nfs/dbraw/zinc/76/67/17/568766717.db2.gz KCBLEAYNWBIJOF-IRXDYDNUSA-N 1 1 430.530 1.912 40 0 IDABMO COc1ncccc1C[N@@H+]1CC[C@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 ZINC000306136444 568769491 /nfs/dbraw/zinc/76/94/91/568769491.db2.gz PTSHAHYBUSOBDP-QHCPKHFHSA-N 1 1 441.532 1.564 40 0 IDABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 ZINC000306136444 568769492 /nfs/dbraw/zinc/76/94/92/568769492.db2.gz PTSHAHYBUSOBDP-QHCPKHFHSA-N 1 1 441.532 1.564 40 0 IDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306141158 568771929 /nfs/dbraw/zinc/77/19/29/568771929.db2.gz VMTFRXJMPOIACG-OALUTQOASA-N 1 1 432.480 1.720 40 0 IDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016020152 568862935 /nfs/dbraw/zinc/86/29/35/568862935.db2.gz DOUIWKYWWJPRLI-JAHYZZNOSA-N 1 1 439.899 1.950 40 0 IDABMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024567 568864088 /nfs/dbraw/zinc/86/40/88/568864088.db2.gz UXKZVKPESZJUQE-PLDRTOJQSA-N 1 1 436.306 1.350 40 0 IDABMO C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019973374 568876163 /nfs/dbraw/zinc/87/61/63/568876163.db2.gz UIXHJFIXIISIIN-GOSISDBHSA-N 1 1 425.493 1.335 40 0 IDABMO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000524731560 569188627 /nfs/dbraw/zinc/18/86/27/569188627.db2.gz BSQQUWMOHZIHOC-DLBZAZTESA-N 1 1 433.512 1.665 40 0 IDABMO CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699888 569230858 /nfs/dbraw/zinc/23/08/58/569230858.db2.gz YDGICRNGRWYLLN-LJQANCHMSA-N 1 1 427.549 1.126 40 0 IDABMO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019760738 569237779 /nfs/dbraw/zinc/23/77/79/569237779.db2.gz PNKAZKRFXGVUDI-SFHVURJKSA-N 1 1 444.561 1.990 40 0 IDABMO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019760738 569237780 /nfs/dbraw/zinc/23/77/80/569237780.db2.gz PNKAZKRFXGVUDI-SFHVURJKSA-N 1 1 444.561 1.990 40 0 IDABMO CCS(=O)(=O)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000026112548 569242179 /nfs/dbraw/zinc/24/21/79/569242179.db2.gz FFECGAOSMDUVSS-OAQYLSRUSA-N 1 1 429.542 1.948 40 0 IDABMO CS(=O)(=O)N1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)Oc2ccc(Cl)cc21 ZINC000030944601 569243401 /nfs/dbraw/zinc/24/34/01/569243401.db2.gz GJEMPNDETSZSKY-QGZVFWFLSA-N 1 1 431.942 1.096 40 0 IDABMO CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)Oc2ccccc21 ZINC000038831821 569248895 /nfs/dbraw/zinc/24/88/95/569248895.db2.gz RHJNWALLCQKDBX-OAQYLSRUSA-N 1 1 445.541 1.362 40 0 IDABMO CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(S(=O)(=O)c4ccccc4)CC3(C)C)C2)CC1 ZINC000253398747 291319701 /nfs/dbraw/zinc/31/97/01/291319701.db2.gz HKADITUSHXXALY-FQEVSTJZSA-N 1 1 434.606 1.467 40 0 biogenic,in-vitro IDABMO COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1CCCCC1 ZINC000025425839 291322865 /nfs/dbraw/zinc/32/28/65/291322865.db2.gz GTGDKNPKMFFAOT-PMACEKPBSA-N 1 1 431.533 1.276 40 0 biogenic,in-vitro IDABMO CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000020462798 520853474 /nfs/dbraw/zinc/85/34/74/520853474.db2.gz TYSRCCUVCIPABN-ACRUOGEOSA-N 1 1 429.561 1.987 40 0 biogenic,in-vitro IDABMO c1ccc2c(c1)nc1n2[C@H](c2cccnc2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000020638640 526515057 /nfs/dbraw/zinc/51/50/57/526515057.db2.gz RDMRMWLBHTXNHI-OAQYLSRUSA-N 1 1 432.532 1.697 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000035096657 555746977 /nfs/dbraw/zinc/74/69/77/555746977.db2.gz UBUUKFYNWAOISX-NRFANRHFSA-N 1 1 431.558 1.415 40 0 IDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 ZINC000408557903 555896245 /nfs/dbraw/zinc/89/62/45/555896245.db2.gz PIXGKIBJXDPFLK-UHFFFAOYSA-N 1 1 429.542 1.981 40 0 IDABMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408594283 555960563 /nfs/dbraw/zinc/96/05/63/555960563.db2.gz PNRSIAPAVFJXLR-UHFFFAOYSA-N 1 1 447.557 1.982 40 0 IDABMO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000408624402 555993539 /nfs/dbraw/zinc/99/35/39/555993539.db2.gz UBRRSORGCVNKQY-UHFFFAOYSA-N 1 1 449.548 1.855 40 0 IDABMO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000408627706 555998365 /nfs/dbraw/zinc/99/83/65/555998365.db2.gz OYDGAHRURFEWLC-UHFFFAOYSA-N 1 1 447.557 1.972 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100257894 556055548 /nfs/dbraw/zinc/05/55/48/556055548.db2.gz KSQBJQBUSNNORM-VWEIPLKFSA-N 1 1 447.491 1.589 40 0 IDABMO CCOc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCC1 ZINC000408699856 556103150 /nfs/dbraw/zinc/10/31/50/556103150.db2.gz ZTNKGVPHZHLUAP-UHFFFAOYSA-N 1 1 425.551 1.322 40 0 IDABMO C[N@@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923134 556341468 /nfs/dbraw/zinc/34/14/68/556341468.db2.gz TZRHOVVJRHFJFJ-LESCRADOSA-N 1 1 434.591 1.069 40 0 biogenic,in-vitro IDABMO C[N@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923134 556341470 /nfs/dbraw/zinc/34/14/70/556341470.db2.gz TZRHOVVJRHFJFJ-LESCRADOSA-N 1 1 434.591 1.069 40 0 biogenic,in-vitro IDABMO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCC[NH+]1CCOCC1)O2 ZINC000030944586 556516933 /nfs/dbraw/zinc/51/69/33/556516933.db2.gz IWNQBNQCXKEPRC-LJQANCHMSA-N 1 1 439.578 1.350 40 0 IDABMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000016187619 556587710 /nfs/dbraw/zinc/58/77/10/556587710.db2.gz DMUSSBPOCJFXRB-UHFFFAOYSA-N 1 1 447.557 1.669 40 0 IDABMO O=C(N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)C1CCC1 ZINC000514288863 556624987 /nfs/dbraw/zinc/62/49/87/556624987.db2.gz KVDFLNTVBPFLKX-GBESFXJTSA-N 1 1 427.467 1.872 40 0 biogenic,in-vitro IDABMO Cn1ccnc1CN[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289210 556625510 /nfs/dbraw/zinc/62/55/10/556625510.db2.gz ZZRJZSYKCBYTKG-CMKODMSKSA-N 1 1 439.482 1.479 40 0 biogenic,in-vitro IDABMO O=C(NC1CCC1)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289409 556625676 /nfs/dbraw/zinc/62/56/76/556625676.db2.gz SFAPGCLRPIEAKP-GBESFXJTSA-N 1 1 442.482 1.807 40 0 biogenic,in-vitro IDABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000044843279 556668935 /nfs/dbraw/zinc/66/89/35/556668935.db2.gz XGLDQOXXQJODLI-UHFFFAOYSA-N 1 1 442.497 1.992 40 0 IDABMO Cc1cc(C)nc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)n1 ZINC000019118782 556700557 /nfs/dbraw/zinc/70/05/57/556700557.db2.gz XKJOZYCEPNMOKK-NRFANRHFSA-N 1 1 445.589 1.661 40 0 IDABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257324126 556704948 /nfs/dbraw/zinc/70/49/48/556704948.db2.gz WNHBNSRHCOIDGW-DEOSSOPVSA-N 1 1 439.560 1.941 40 0 IDABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)N(C)C)[nH]c(=O)c2C1 ZINC000019238698 556724198 /nfs/dbraw/zinc/72/41/98/556724198.db2.gz QOWKTGPVIBPWSW-MRXNPFEDSA-N 1 1 437.591 1.641 40 0 IDABMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292019 556731800 /nfs/dbraw/zinc/73/18/00/556731800.db2.gz CDPRIHLFTNNDMA-PMACEKPBSA-N 1 1 443.592 1.082 40 0 IDABMO NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CC[NH2+][C@H]2C=CS(=O)(=O)C2)CC1 ZINC000019376232 556751919 /nfs/dbraw/zinc/75/19/19/556751919.db2.gz OWCKBLLQDDHHET-KRWDZBQOSA-N 1 1 442.541 1.330 40 0 IDABMO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@H](C)C3)[C@]12C ZINC000019496527 556769052 /nfs/dbraw/zinc/76/90/52/556769052.db2.gz METMTICIPCYKOR-MTSNRIFQSA-N 1 1 439.560 1.968 40 0 IDABMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000019530341 556791257 /nfs/dbraw/zinc/79/12/57/556791257.db2.gz PAJNPFPDGHNLPN-IBGZPJMESA-N 1 1 444.576 1.951 40 0 IDABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3cccnc3)[C@]3(C1)COCCC(=O)N3)OCCO2 ZINC000019550630 556795365 /nfs/dbraw/zinc/79/53/65/556795365.db2.gz HFYBSLDVERRHRO-MBSDFSHPSA-N 1 1 425.485 1.736 40 0 IDABMO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)[nH]c(=O)c2C1 ZINC000019583806 556821364 /nfs/dbraw/zinc/82/13/64/556821364.db2.gz XEEWCKUBQFMJTC-HNNXBMFYSA-N 1 1 437.591 1.376 40 0 IDABMO Cc1nc([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741328 556883300 /nfs/dbraw/zinc/88/33/00/556883300.db2.gz ORYPINOHCJSHPS-LJQANCHMSA-N 1 1 441.576 1.903 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cc[nH]n4)CCO3)nc3ccccc32)CC1 ZINC000019759193 556902914 /nfs/dbraw/zinc/90/29/14/556902914.db2.gz JTYGJCGAVOPAQU-OAQYLSRUSA-N 1 1 434.500 1.559 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)Cn4cccn4)CCO3)nc3ccccc32)CC1 ZINC000019762180 556906223 /nfs/dbraw/zinc/90/62/23/556906223.db2.gz SKVNZKUBOBEFPS-JOCHJYFZSA-N 1 1 448.527 1.419 40 0 IDABMO COCCNC(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352314 556923871 /nfs/dbraw/zinc/92/38/71/556923871.db2.gz OQXNFTYUXCKDJE-INIZCTEOSA-N 1 1 431.558 1.926 40 0 IDABMO COCCNC(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352314 556923875 /nfs/dbraw/zinc/92/38/75/556923875.db2.gz OQXNFTYUXCKDJE-INIZCTEOSA-N 1 1 431.558 1.926 40 0 IDABMO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCC[NH+]1CCOCC1 ZINC000019935508 556950704 /nfs/dbraw/zinc/95/07/04/556950704.db2.gz GMXMADSSOSHALZ-UHFFFAOYSA-N 1 1 445.969 1.342 40 0 IDABMO CS(=O)(=O)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000020275160 557005478 /nfs/dbraw/zinc/00/54/78/557005478.db2.gz ZXKZAOOQRNDVJU-IBGZPJMESA-N 1 1 437.537 1.841 40 0 IDABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106259 557039707 /nfs/dbraw/zinc/03/97/07/557039707.db2.gz ZYTFCXCSCVNPPD-AHRSYUTCSA-N 1 1 435.590 1.942 40 0 IDABMO CN1CC[NH+](CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 ZINC000022933451 557051192 /nfs/dbraw/zinc/05/11/92/557051192.db2.gz BCAYIMWHUYAGRE-UHFFFAOYSA-N 1 1 437.393 1.513 40 0 IDABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167152 /nfs/dbraw/zinc/16/71/52/557167152.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 1 1 441.576 1.895 40 0 IDABMO Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167155 /nfs/dbraw/zinc/16/71/55/557167155.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 1 1 441.576 1.895 40 0 IDABMO Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167160 /nfs/dbraw/zinc/16/71/60/557167160.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 1 1 441.576 1.895 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283504 557222720 /nfs/dbraw/zinc/22/27/20/557222720.db2.gz RCPJDHHXVDSLTD-QFIPXVFZSA-N 1 1 440.512 1.560 40 0 IDABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585285052 557224957 /nfs/dbraw/zinc/22/49/57/557224957.db2.gz BXEQXJAKMQKZGH-OAQYLSRUSA-N 1 1 428.476 1.170 40 0 IDABMO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000585290451 557227259 /nfs/dbraw/zinc/22/72/59/557227259.db2.gz BIXXSXMFRKUEQB-CTNGQTDRSA-N 1 1 448.520 1.021 40 0 IDABMO CC(=O)N1CCC([NH+]2CC3(C2)CN(C(=O)Nc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604382027 557236817 /nfs/dbraw/zinc/23/68/17/557236817.db2.gz ZOXQOEHEWQPMOY-OAQYLSRUSA-N 1 1 427.549 1.300 40 0 biogenic,in-vitro IDABMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220436348 557295221 /nfs/dbraw/zinc/29/52/21/557295221.db2.gz DECGEOYADRNSIK-CYBMUJFWSA-N 1 1 438.377 1.986 40 0 IDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000105352135 557331163 /nfs/dbraw/zinc/33/11/63/557331163.db2.gz OPNZIEVNEBUACP-HJOKXZNTSA-N 1 1 436.306 1.349 40 0 IDABMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958405 557467979 /nfs/dbraw/zinc/46/79/79/557467979.db2.gz SQGPABFIJDWYSY-HODCWWFKSA-N 1 1 449.507 1.559 40 0 IDABMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968489 557468371 /nfs/dbraw/zinc/46/83/71/557468371.db2.gz TYWOLZGGOZTIIF-BXZFZZQJSA-N 1 1 433.508 1.593 40 0 IDABMO Cc1cc2cc(CN(CCCO)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824264 557508492 /nfs/dbraw/zinc/50/84/92/557508492.db2.gz OREVGYCGLLQWHH-UHFFFAOYSA-N 1 1 446.617 1.926 40 0 IDABMO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940422 557510165 /nfs/dbraw/zinc/51/01/65/557510165.db2.gz RJKWLPYUPLEYKV-FXAWDEMLSA-N 1 1 439.520 1.039 40 0 IDABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940405 557510288 /nfs/dbraw/zinc/51/02/88/557510288.db2.gz XEJFLCYRLJNORW-QFIPXVFZSA-N 1 1 445.527 1.908 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC000224587952 557627772 /nfs/dbraw/zinc/62/77/72/557627772.db2.gz PTAZZGZXTREVMQ-UHFFFAOYSA-N 1 1 449.548 1.736 40 0 IDABMO C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224716095 557643635 /nfs/dbraw/zinc/64/36/35/557643635.db2.gz CLZCCZRCRDXLFI-GOSISDBHSA-N 1 1 431.558 1.990 40 0 IDABMO COc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224719371 557643674 /nfs/dbraw/zinc/64/36/74/557643674.db2.gz WPPYOVJHFXSYLK-UHFFFAOYSA-N 1 1 447.557 1.610 40 0 IDABMO COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCC4)[N@H+]3C2)cc1 ZINC000015707543 560096738 /nfs/dbraw/zinc/09/67/38/560096738.db2.gz GSOKCARVLSOEFC-SCTDSRPQSA-N 1 1 445.589 1.326 40 0 biogenic,in-vitro IDABMO COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCC4)[N@@H+]3C2)cc1 ZINC000015707543 560096739 /nfs/dbraw/zinc/09/67/39/560096739.db2.gz GSOKCARVLSOEFC-SCTDSRPQSA-N 1 1 445.589 1.326 40 0 biogenic,in-vitro IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585287787 568619250 /nfs/dbraw/zinc/61/92/50/568619250.db2.gz ROQHHAMOWZEZJT-OAQYLSRUSA-N 1 1 426.485 1.251 40 0 IDABMO COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H](O)[C@@H]([N@@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000257216330 568672441 /nfs/dbraw/zinc/67/24/41/568672441.db2.gz CUBSOPLLZCOFAY-VXKWHMMOSA-N 1 1 444.507 1.908 40 0 IDABMO CNC(=O)[C@H]1C[N@H+](C(C)C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000257218465 568673374 /nfs/dbraw/zinc/67/33/74/568673374.db2.gz DDGCVEOALQOQMT-QGZVFWFLSA-N 1 1 441.498 1.984 40 0 IDABMO Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000257227671 568677947 /nfs/dbraw/zinc/67/79/47/568677947.db2.gz FQJHXDCTQROXQJ-IBGZPJMESA-N 1 1 438.576 1.779 40 0 IDABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 ZINC000257230699 568679334 /nfs/dbraw/zinc/67/93/34/568679334.db2.gz GDMBZWLOJYIZEM-FQEVSTJZSA-N 1 1 436.560 1.542 40 0 IDABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 ZINC000257230699 568679335 /nfs/dbraw/zinc/67/93/35/568679335.db2.gz GDMBZWLOJYIZEM-FQEVSTJZSA-N 1 1 436.560 1.542 40 0 IDABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257231801 568679673 /nfs/dbraw/zinc/67/96/73/568679673.db2.gz GIGQIPPTRUUNFM-HSZRJFAPSA-N 1 1 439.516 1.184 40 0 IDABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257231801 568679677 /nfs/dbraw/zinc/67/96/77/568679677.db2.gz GIGQIPPTRUUNFM-HSZRJFAPSA-N 1 1 439.516 1.184 40 0 IDABMO CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257241507 568684369 /nfs/dbraw/zinc/68/43/69/568684369.db2.gz HYGVRMIBFGWUEP-HXUWFJFHSA-N 1 1 426.565 1.664 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(F)cc4)on3)[C@H]2O)CC1 ZINC000257247930 568687645 /nfs/dbraw/zinc/68/76/45/568687645.db2.gz JBFHHUUJOKHIEM-YFVAEKQCSA-N 1 1 430.480 1.657 40 0 IDABMO Cn1c(=O)oc2cc(NC(=O)CN3C[C@H](O)[C@@H]([N@@H+](C)Cc4ccc(F)cc4)C3)ccc21 ZINC000257278514 568701772 /nfs/dbraw/zinc/70/17/72/568701772.db2.gz OCOCDHGHSPLNCO-OALUTQOASA-N 1 1 428.464 1.386 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)COc3ccc4c(c3)CCCC4)[C@H]2O)CC1 ZINC000257283513 568703803 /nfs/dbraw/zinc/70/38/03/568703803.db2.gz OYQWDVOCLCNWOV-CQOQZXRMSA-N 1 1 429.561 1.507 40 0 IDABMO COCC(=O)NCc1cccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)c1 ZINC000257308531 568714956 /nfs/dbraw/zinc/71/49/56/568714956.db2.gz TXCDYMWIRAAJEQ-PKTZIBPZSA-N 1 1 439.556 1.962 40 0 IDABMO Cc1n[nH]cc1CN1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316965 568718652 /nfs/dbraw/zinc/71/86/52/568718652.db2.gz VHSQEZMYDDQKRS-QHCPKHFHSA-N 1 1 445.539 1.671 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)CC[C@@H]2O)CC1 ZINC000257324942 568722194 /nfs/dbraw/zinc/72/21/94/568722194.db2.gz WQVOULRDKYZZSS-PMACEKPBSA-N 1 1 428.558 1.940 40 0 IDABMO CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000257325468 568722603 /nfs/dbraw/zinc/72/26/03/568722603.db2.gz WTAQYIWDRBJGOP-GOSISDBHSA-N 1 1 436.560 1.973 40 0 IDABMO CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257325468 568722604 /nfs/dbraw/zinc/72/26/04/568722604.db2.gz WTAQYIWDRBJGOP-GOSISDBHSA-N 1 1 436.560 1.973 40 0 IDABMO C[N@@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723625 /nfs/dbraw/zinc/72/36/25/568723625.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 1 1 436.556 1.128 40 0 IDABMO C[N@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723628 /nfs/dbraw/zinc/72/36/28/568723628.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 1 1 436.556 1.128 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3cccc4cccnc43)CC[C@@H]2O)CC1 ZINC000257331942 568725280 /nfs/dbraw/zinc/72/52/80/568725280.db2.gz XUZIBDGLFCNVGY-PMACEKPBSA-N 1 1 426.517 1.130 40 0 IDABMO CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)N3CC[NH+](CCc4ccccn4)CC3)C2)n1 ZINC000257339010 568728220 /nfs/dbraw/zinc/72/82/20/568728220.db2.gz YZVOXWISYZQRDP-FQEVSTJZSA-N 1 1 438.576 1.927 40 0 IDABMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccnn3-c3ccccc3)n3ccncc23)CC1 ZINC000306127329 568764745 /nfs/dbraw/zinc/76/47/45/568764745.db2.gz FVXAZHQXUIQPCO-UHFFFAOYSA-N 1 1 444.543 1.949 40 0 IDABMO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306128559 568765140 /nfs/dbraw/zinc/76/51/40/568765140.db2.gz HEESMBOZWTYCTN-HSZRJFAPSA-N 1 1 433.468 1.124 40 0 IDABMO Cc1nc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CC[N@@H+](CC3CC3)C2)cs1 ZINC000306131106 568766375 /nfs/dbraw/zinc/76/63/75/568766375.db2.gz JWRMORQXHRUCAI-JOCHJYFZSA-N 1 1 425.558 1.964 40 0 IDABMO Cc1nc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CC[N@@H+](CC3CC3)C2)cs1 ZINC000306131107 568766380 /nfs/dbraw/zinc/76/63/80/568766380.db2.gz JWRMORQXHRUCAI-QFIPXVFZSA-N 1 1 425.558 1.964 40 0 IDABMO CC(C)N1[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N(C)c2ncccc2S1(=O)=O ZINC000306131332 568766600 /nfs/dbraw/zinc/76/66/00/568766600.db2.gz KCBLEAYNWBIJOF-SJORKVTESA-N 1 1 430.530 1.912 40 0 IDABMO CC(C)N1[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N(C)c2ncccc2S1(=O)=O ZINC000306131332 568766602 /nfs/dbraw/zinc/76/66/02/568766602.db2.gz KCBLEAYNWBIJOF-SJORKVTESA-N 1 1 430.530 1.912 40 0 IDABMO CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)c3ccn(C)n3)CC2)O1 ZINC000306131925 568766988 /nfs/dbraw/zinc/76/69/88/568766988.db2.gz KTHHFSOYCKCYFK-FQEVSTJZSA-N 1 1 425.533 1.384 40 0 IDABMO CN1CC[NH+](CCCNC(=O)c2nc([C@H]3CCCN3c3ncccn3)n3ccccc23)CC1 ZINC000306132356 568767081 /nfs/dbraw/zinc/76/70/81/568767081.db2.gz LGGPJGFULBFMJQ-HXUWFJFHSA-N 1 1 448.575 1.833 40 0 IDABMO 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ZINC000105378475 557331405 /nfs/dbraw/zinc/33/14/05/557331405.db2.gz SQGPABFIJDWYSY-OQIUOEPKSA-N 1 1 449.507 1.559 40 0 IDABMO CCc1ccc2c(c1)[C@@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959174 557467962 /nfs/dbraw/zinc/46/79/62/557467962.db2.gz WZMLRSVHAXQUKU-MSRZUHFOSA-N 1 1 433.508 1.593 40 0 IDABMO COCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822792 557507941 /nfs/dbraw/zinc/50/79/41/557507941.db2.gz UCPOQSOWBIRMSK-UHFFFAOYSA-N 1 1 432.590 1.882 40 0 IDABMO Cc1cccc2cc(CN(CCCO)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822695 557507982 /nfs/dbraw/zinc/50/79/82/557507982.db2.gz OIGXTRZBPBWZSM-UHFFFAOYSA-N 1 1 432.590 1.618 40 0 IDABMO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940424 557510423 /nfs/dbraw/zinc/51/04/23/557510423.db2.gz RJKWLPYUPLEYKV-YLJYHZDGSA-N 1 1 439.520 1.039 40 0 IDABMO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1C ZINC000019940814 557510479 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HASWGQZZSPWMEB-UHFFFAOYSA-N 1 1 431.558 1.597 40 0 IDABMO Cn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000224589853 557628065 /nfs/dbraw/zinc/62/80/65/557628065.db2.gz WMTUREKIVIGCAR-UHFFFAOYSA-N 1 1 433.555 1.911 40 0 IDABMO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224716049 557643554 /nfs/dbraw/zinc/64/35/54/557643554.db2.gz CLZCCZRCRDXLFI-SFHVURJKSA-N 1 1 431.558 1.990 40 0 IDABMO CN(C)c1ccc(C(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)[N@H+]3C2)cc1 ZINC000015708518 560096389 /nfs/dbraw/zinc/09/63/89/560096389.db2.gz VTRAILWNHIYMPV-TYPHKJRUSA-N 1 1 441.576 1.216 40 0 biogenic,in-vitro IDABMO CN(C)c1ccc(C(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)[N@@H+]3C2)cc1 ZINC000015708518 560096390 /nfs/dbraw/zinc/09/63/90/560096390.db2.gz VTRAILWNHIYMPV-TYPHKJRUSA-N 1 1 441.576 1.216 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@@H+]21)NCc1cccs1 ZINC000015708002 560096506 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/nfs/dbraw/zinc/61/79/52/568617952.db2.gz GKALAPXXBNZOPU-DEOSSOPVSA-N 1 1 441.576 1.569 40 0 IDABMO CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257205250 568667624 /nfs/dbraw/zinc/66/76/24/568667624.db2.gz AYFHZMPHDZMTAG-HTDNTCHWSA-N 1 1 441.503 1.386 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3nc4cc(C)c(C)cc4[nH]3)CC[C@@H]2O)CC1 ZINC000257241725 568684682 /nfs/dbraw/zinc/68/46/82/568684682.db2.gz HZJFDRCINRANMA-VXKWHMMOSA-N 1 1 441.576 1.628 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3csc(Cc4ccccc4)n3)[C@H]2O)CC1 ZINC000257275554 568700216 /nfs/dbraw/zinc/70/02/16/568700216.db2.gz NPWIMHYORBUBMV-SYYKKAFVSA-N 1 1 442.585 1.910 40 0 IDABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 ZINC000257303046 568712319 /nfs/dbraw/zinc/71/23/19/568712319.db2.gz SFOGWYSBSCIJOC-GOSISDBHSA-N 1 1 438.532 1.756 40 0 IDABMO CN(C)C(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000257324807 568722107 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/nfs/dbraw/zinc/76/52/78/568765278.db2.gz HEESMBOZWTYCTN-QHCPKHFHSA-N 1 1 433.468 1.124 40 0 IDABMO CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)c3ccn(C)n3)CC2)O1 ZINC000306131926 568766955 /nfs/dbraw/zinc/76/69/55/568766955.db2.gz KTHHFSOYCKCYFK-HXUWFJFHSA-N 1 1 425.533 1.384 40 0 IDABMO C[N@H+]1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306133020 568767700 /nfs/dbraw/zinc/76/77/00/568767700.db2.gz LZDBRPCGOBECDR-HXUWFJFHSA-N 1 1 429.492 1.969 40 0 IDABMO Cn1cc(C[N@H+]2CC3(CN(C(=O)NCc4ccco4)C3)[C@]3(C2)C(=O)Nc2ccccc23)cn1 ZINC000306133160 568767741 /nfs/dbraw/zinc/76/77/41/568767741.db2.gz MDRVUDKXFBIKBK-DEOSSOPVSA-N 1 1 446.511 1.931 40 0 IDABMO C[N@H+]1C[C@@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306135615 568769158 /nfs/dbraw/zinc/76/91/58/568769158.db2.gz OVZNJIVXCQNFDZ-NRFANRHFSA-N 1 1 425.529 1.873 40 0 IDABMO CC(C)[NH+]1CCN(C(=O)c2cn3c(nc2=O)[C@@]2(CC3)CCN(C(=O)c3ccccc3)C2)CC1 ZINC000306141846 568772490 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RZXLHGJYWVWKLL-NVXWUHKLSA-N 1 1 438.532 1.995 40 0 IDABMO CN(C)c1cc(CN(C)C(=O)Cc2ccc(S(C)(=O)=O)cc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019710751 569234951 /nfs/dbraw/zinc/23/49/51/569234951.db2.gz LPDVTJJVCSAWSJ-LJQANCHMSA-N 1 1 445.589 1.914 40 0 IDABMO CN(C)c1cc(CN(C)C(=O)Cc2ccc(S(C)(=O)=O)cc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019710751 569234952 /nfs/dbraw/zinc/23/49/52/569234952.db2.gz LPDVTJJVCSAWSJ-LJQANCHMSA-N 1 1 445.589 1.914 40 0 IDABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 ZINC000034860523 569247860 /nfs/dbraw/zinc/24/78/60/569247860.db2.gz OFJCITDXFXKVGM-UHFFFAOYSA-N 1 1 425.551 1.269 40 0 IDABMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000058178855 569249553 /nfs/dbraw/zinc/24/95/53/569249553.db2.gz BRJRJZTYZOBCII-UHFFFAOYSA-N 1 1 430.368 1.624 40 0 IDABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccncc3)c4=O)C2)CC1 ZINC000004259192 291319686 /nfs/dbraw/zinc/31/96/86/291319686.db2.gz QGPGZHNGWBUFFE-PKOBYXMFSA-N 1 1 435.528 1.926 40 0 biogenic,in-vitro IDABMO COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465285 522834765 /nfs/dbraw/zinc/83/47/65/522834765.db2.gz NYZLWUBNXZPBIS-DFBDCSAJSA-N 1 1 432.439 1.035 40 0 biogenic,in-vitro IDABMO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465899 522965489 /nfs/dbraw/zinc/96/54/89/522965489.db2.gz QDOBHIQBNNACQA-FUMNGEBKSA-N 1 1 434.924 1.520 40 0 biogenic,in-vitro IDABMO COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccco2)[N@H+]3C)cc1 ZINC000035442362 524037687 /nfs/dbraw/zinc/03/76/87/524037687.db2.gz RLKQHLQOIKYZHQ-ZEYPLWLESA-N 1 1 440.544 1.758 40 0 biogenic,in-vitro IDABMO COc1cccc([C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H](C(N)=O)C3)C[C@H]2c2csnn2)c1 ZINC000012163122 524120775 /nfs/dbraw/zinc/12/07/75/524120775.db2.gz OETLOGFGTYUCDC-BPQIPLTHSA-N 1 1 429.546 1.454 40 0 IDABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000022247214 525073264 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ICMMWUUBEUXCNM-UHFFFAOYSA-N 1 1 437.393 1.513 40 0 IDABMO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000585182356 557138516 /nfs/dbraw/zinc/13/85/16/557138516.db2.gz DVCYTDDHRIZQPM-ZDUSSCGKSA-N 1 1 437.591 1.606 40 0 IDABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000585269797 557213803 /nfs/dbraw/zinc/21/38/03/557213803.db2.gz KDUMQNVLMNQFPO-FQEVSTJZSA-N 1 1 444.528 1.805 40 0 IDABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282157 557221654 /nfs/dbraw/zinc/22/16/54/557221654.db2.gz HPUSYWZFSSVRMF-XMMPIXPASA-N 1 1 434.577 1.899 40 0 IDABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284735 557224610 /nfs/dbraw/zinc/22/46/10/557224610.db2.gz ZMTBPDQXJBOLPO-OAQYLSRUSA-N 1 1 428.476 1.170 40 0 IDABMO C[N@@H+](Cc1cccc2ncccc12)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290805 557228291 /nfs/dbraw/zinc/22/82/91/557228291.db2.gz FXEWWJORYCAPOF-YADHBBJMSA-N 1 1 427.526 1.463 40 0 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427.592 1.720 40 0 IDABMO O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCC[NH+]1CCOCC1 ZINC000408588980 555942105 /nfs/dbraw/zinc/94/21/05/555942105.db2.gz DIUOZHLRHRZNAR-UHFFFAOYSA-N 1 1 445.585 1.936 40 0 IDABMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)c(C)c1 ZINC000408591148 555951070 /nfs/dbraw/zinc/95/10/70/555951070.db2.gz JCKWIORBXOLDPP-HXUWFJFHSA-N 1 1 437.606 1.851 40 0 IDABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408636702 556019663 /nfs/dbraw/zinc/01/96/63/556019663.db2.gz TWLVISPJCQTJIR-UHFFFAOYSA-N 1 1 447.985 1.636 40 0 IDABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(C)c2)cc1 ZINC000408674542 556065694 /nfs/dbraw/zinc/06/56/94/556065694.db2.gz AECBSJSQFOZIOB-UHFFFAOYSA-N 1 1 433.530 1.957 40 0 IDABMO Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000408708492 556114871 /nfs/dbraw/zinc/11/48/71/556114871.db2.gz ITAYLLFQHDJRBX-UHFFFAOYSA-N 1 1 438.528 1.702 40 0 IDABMO 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437.606 1.946 40 0 IDABMO COCc1nn2c(nnc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040391336 556637974 /nfs/dbraw/zinc/63/79/74/556637974.db2.gz WLYMVESDTJLVIA-UHFFFAOYSA-N 1 1 434.500 1.975 40 0 IDABMO Cc1ccc([C@@H]2CN(CC(=O)N3CCN(CC[NH+](C)C)CC3)C[C@H]2c2csnn2)cc1 ZINC000019211994 556709750 /nfs/dbraw/zinc/70/97/50/556709750.db2.gz KJTFAYBYPBOCSG-LEWJYISDSA-N 1 1 442.633 1.735 40 0 IDABMO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2c1 ZINC000019221420 556715759 /nfs/dbraw/zinc/71/57/59/556715759.db2.gz ANKXLUMADPDLGT-OAHLLOKOSA-N 1 1 437.500 1.380 40 0 IDABMO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257297428 556717172 /nfs/dbraw/zinc/71/71/72/556717172.db2.gz RHFDHPWYABPTAU-XMMPIXPASA-N 1 1 440.544 1.392 40 0 IDABMO CCS(=O)(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019520255 556776071 /nfs/dbraw/zinc/77/60/71/556776071.db2.gz OGGWXFQSGQMBEW-MRXNPFEDSA-N 1 1 432.546 1.888 40 0 IDABMO 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ZINC000022933779 557051721 /nfs/dbraw/zinc/05/17/21/557051721.db2.gz MJIIDJPEPCGGHC-UHFFFAOYSA-N 1 1 430.574 1.879 40 0 IDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(S(=O)(=O)c1ccc(OC)cc1)CC3 ZINC000096143866 557171215 /nfs/dbraw/zinc/17/12/15/557171215.db2.gz DAALWIFWMIHBQR-SIKLNZKXSA-N 1 1 435.590 1.944 40 0 IDABMO CC(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251504 557189020 /nfs/dbraw/zinc/18/90/20/557189020.db2.gz PEYLDDYHPFPTCR-OFNKIYASSA-N 1 1 431.581 1.366 40 0 IDABMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096262260 557189697 /nfs/dbraw/zinc/18/96/97/557189697.db2.gz JVVHBTOOHMAFNA-LEWJYISDSA-N 1 1 440.569 1.825 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000218785503 557215698 /nfs/dbraw/zinc/21/56/98/557215698.db2.gz KWPAMJKWXFVCRN-UHFFFAOYSA-N 1 1 437.606 1.500 40 0 IDABMO COc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCCN4CC(N)=O)CC2)c1 ZINC000585282576 557221537 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/nfs/dbraw/zinc/64/33/79/557643379.db2.gz LRRMNLMDLHKTCM-UHFFFAOYSA-N 1 1 435.521 1.740 40 0 IDABMO CN(c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)S(C)(=O)=O ZINC000224753648 557647786 /nfs/dbraw/zinc/64/77/86/557647786.db2.gz CEKPALJVIFABTN-UHFFFAOYSA-N 1 1 447.557 1.610 40 0 IDABMO Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028207519 557648250 /nfs/dbraw/zinc/64/82/50/557648250.db2.gz XYBKSALDDDUJRM-UHFFFAOYSA-N 1 1 431.558 1.969 40 0 IDABMO OCCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269975 568616769 /nfs/dbraw/zinc/61/67/69/568616769.db2.gz SANUNXMTRGPCHF-DQEYMECFSA-N 1 1 441.572 1.442 40 0 IDABMO OCCOCCOc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269975 568616770 /nfs/dbraw/zinc/61/67/70/568616770.db2.gz SANUNXMTRGPCHF-DQEYMECFSA-N 1 1 441.572 1.442 40 0 IDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288128 568619330 /nfs/dbraw/zinc/61/93/30/568619330.db2.gz XDAVBFDHYZAECG-RXVVDRJESA-N 1 1 444.475 1.125 40 0 IDABMO CC(C)[N@H+]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@@H](C(N)=O)C1 ZINC000257201058 568665484 /nfs/dbraw/zinc/66/54/84/568665484.db2.gz AGABTFRPUTVNKU-MRXNPFEDSA-N 1 1 427.471 1.723 40 0 IDABMO Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000257218489 568673341 /nfs/dbraw/zinc/67/33/41/568673341.db2.gz DDICWCOJZBWPBF-QWFCFKBJSA-N 1 1 433.940 1.915 40 0 IDABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257231802 568679659 /nfs/dbraw/zinc/67/96/59/568679659.db2.gz GIGQIPPTRUUNFM-QHCPKHFHSA-N 1 1 439.516 1.184 40 0 IDABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257231802 568679662 /nfs/dbraw/zinc/67/96/62/568679662.db2.gz GIGQIPPTRUUNFM-QHCPKHFHSA-N 1 1 439.516 1.184 40 0 IDABMO CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257241506 568684341 /nfs/dbraw/zinc/68/43/41/568684341.db2.gz HYGVRMIBFGWUEP-FQEVSTJZSA-N 1 1 426.565 1.664 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccccc4F)no3)CC[C@@H]2O)CC1 ZINC000257245078 568686043 /nfs/dbraw/zinc/68/60/43/568686043.db2.gz IOACRQKZQATZHZ-PMACEKPBSA-N 1 1 430.480 1.610 40 0 IDABMO CNc1nc([C@@H]2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)C2)nc2c1CCN(C(C)=O)C2 ZINC000257256792 568691809 /nfs/dbraw/zinc/69/18/09/568691809.db2.gz KMXXLQYXDILQDE-HXUWFJFHSA-N 1 1 448.571 1.797 40 0 IDABMO CNc1nc([C@@H]2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)C2)nc2c1CCN(C(C)=O)C2 ZINC000257256792 568691810 /nfs/dbraw/zinc/69/18/10/568691810.db2.gz KMXXLQYXDILQDE-HXUWFJFHSA-N 1 1 448.571 1.797 40 0 IDABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)CO)c2)cc1 ZINC000257282079 568703057 /nfs/dbraw/zinc/70/30/57/568703057.db2.gz OSGHYQRHDKZVJY-FGZHOGPDSA-N 1 1 425.529 1.308 40 0 IDABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3ccc[nH]3)CCO2)CC1 ZINC000257298060 568710370 /nfs/dbraw/zinc/71/03/70/568710370.db2.gz RJYNRBQLTMQVPI-HSZRJFAPSA-N 1 1 430.524 1.968 40 0 IDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257307301 568714364 /nfs/dbraw/zinc/71/43/64/568714364.db2.gz SYBWFJHCZWIWJU-FPOVZHCZSA-N 1 1 440.544 1.991 40 0 IDABMO CNc1nc([C@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000257325469 568722398 /nfs/dbraw/zinc/72/23/98/568722398.db2.gz WTAQYIWDRBJGOP-SFHVURJKSA-N 1 1 436.560 1.973 40 0 IDABMO CNc1nc([C@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257325469 568722401 /nfs/dbraw/zinc/72/24/01/568722401.db2.gz WTAQYIWDRBJGOP-SFHVURJKSA-N 1 1 436.560 1.973 40 0 IDABMO CCN(C(C)=O)[C@@H]1CCOC2(CC[NH+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000257344592 568730607 /nfs/dbraw/zinc/73/06/07/568730607.db2.gz ZXYCCBCXVUTUTL-QGZVFWFLSA-N 1 1 429.521 1.677 40 0 IDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccccc3F)C2)cs1 ZINC000306123791 568763033 /nfs/dbraw/zinc/76/30/33/568763033.db2.gz AWSAQVYRZWICGF-NRFANRHFSA-N 1 1 427.505 1.905 40 0 IDABMO 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ZINC000224755523 557648234 /nfs/dbraw/zinc/64/82/34/557648234.db2.gz HCJFLSFRKAUFQF-UHFFFAOYSA-N 1 1 447.557 1.464 40 0 IDABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000225211167 557700860 /nfs/dbraw/zinc/70/08/60/557700860.db2.gz YPYUVJVNGWATOJ-UHFFFAOYSA-N 1 1 442.607 1.488 40 0 IDABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000260836860 557860058 /nfs/dbraw/zinc/86/00/58/557860058.db2.gz AODCZLZCTHITKV-INIZCTEOSA-N 1 1 427.567 1.563 40 0 IDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(N(C)C)cc3)C[N@@H+]21 ZINC000015708635 560096400 /nfs/dbraw/zinc/09/64/00/560096400.db2.gz HUMCDRWXUKZLTL-SXLOBPIMSA-N 1 1 429.565 1.072 40 0 biogenic,in-vitro IDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(N(C)C)cc3)C[N@H+]21 ZINC000015708635 560096402 /nfs/dbraw/zinc/09/64/02/560096402.db2.gz HUMCDRWXUKZLTL-SXLOBPIMSA-N 1 1 429.565 1.072 40 0 biogenic,in-vitro IDABMO 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CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC[C@@H]2O)CC1 ZINC000257204341 568667391 /nfs/dbraw/zinc/66/73/91/568667391.db2.gz AUBXAVMVSIKKLQ-PMACEKPBSA-N 1 1 437.968 1.852 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3csc(-c4ccccc4)n3)[C@H]2O)CC1 ZINC000257226497 568677387 /nfs/dbraw/zinc/67/73/87/568677387.db2.gz FKVVEIRVKHWZNY-VAMGGRTRSA-N 1 1 428.558 1.938 40 0 IDABMO Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000257227672 568677871 /nfs/dbraw/zinc/67/78/71/568677871.db2.gz FQJHXDCTQROXQJ-LJQANCHMSA-N 1 1 438.576 1.779 40 0 IDABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)c1 ZINC000257232595 568680497 /nfs/dbraw/zinc/68/04/97/568680497.db2.gz GLOAKVHPOAAYRP-QFIPXVFZSA-N 1 1 425.489 1.506 40 0 IDABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)c1 ZINC000257232595 568680498 /nfs/dbraw/zinc/68/04/98/568680498.db2.gz GLOAKVHPOAAYRP-QFIPXVFZSA-N 1 1 425.489 1.506 40 0 IDABMO 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O=C(NCc1cccnc1)[C@@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(C(=O)c3cccnc3)C2)O1 ZINC000306142481 568772719 /nfs/dbraw/zinc/77/27/19/568772719.db2.gz XAJRQCIQCIUQEO-URXFXBBRSA-N 1 1 435.528 1.489 40 0 IDABMO CC(C)[C@H](CO)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C2CC2)[nH+]1 ZINC000328980836 568808366 /nfs/dbraw/zinc/80/83/66/568808366.db2.gz GQHPXXPDUWVSEN-IBGZPJMESA-N 1 1 431.562 1.993 40 0 IDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016012647 568862682 /nfs/dbraw/zinc/86/26/82/568862682.db2.gz WOVDBFKGXHXRMP-HZTDAHSYSA-N 1 1 443.862 1.781 40 0 IDABMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000248330307 569207693 /nfs/dbraw/zinc/20/76/93/569207693.db2.gz FLEBKTDYCMBGPX-GAJHUEQPSA-N 1 1 428.533 1.427 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000253568385 569208752 /nfs/dbraw/zinc/20/87/52/569208752.db2.gz LDYIHPBPQXJLCA-SMOZNVCYSA-N 1 1 433.464 1.281 40 0 IDABMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019530325 569226867 /nfs/dbraw/zinc/22/68/67/569226867.db2.gz FJTKEDWHROHOEC-QZTJIDSGSA-N 1 1 430.549 1.561 40 0 IDABMO CN(CCOC[C@H]1CCCCO1)C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586148 569227212 /nfs/dbraw/zinc/22/72/12/569227212.db2.gz GKLPXWWPAKIELI-WOJBJXKFSA-N 1 1 446.592 1.803 40 0 IDABMO CN(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699641 569230760 /nfs/dbraw/zinc/23/07/60/569230760.db2.gz PNWFMWYIWUHJBM-FQEVSTJZSA-N 1 1 441.576 1.168 40 0 IDABMO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2c(C)n(C)c(=O)n(C)c2=O)nc1C ZINC000019765525 569238982 /nfs/dbraw/zinc/23/89/82/569238982.db2.gz XWLGCWGOFJTLIM-IBGZPJMESA-N 1 1 442.564 1.700 40 0 IDABMO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2c(C)n(C)c(=O)n(C)c2=O)nc1C ZINC000019765525 569238983 /nfs/dbraw/zinc/23/89/83/569238983.db2.gz XWLGCWGOFJTLIM-IBGZPJMESA-N 1 1 442.564 1.700 40 0 IDABMO 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CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699640 569230745 /nfs/dbraw/zinc/23/07/45/569230745.db2.gz PNWFMWYIWUHJBM-HXUWFJFHSA-N 1 1 441.576 1.168 40 0 IDABMO C[N@H+]1[C@@H]2CCN(Cc3ncc[nH]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000096536579 291322515 /nfs/dbraw/zinc/32/25/15/291322515.db2.gz KTULLBQPMRPYKB-UEXGIBASSA-N 1 1 428.512 1.019 40 0 biogenic,in-vitro IDABMO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCC(F)(F)CC4)C3)C2=O)cc1 ZINC000225384224 291324218 /nfs/dbraw/zinc/32/42/18/291324218.db2.gz IANSWCYNPHTIMA-MJGOQNOKSA-N 1 1 449.498 1.632 40 0 biogenic,in-vitro IDABMO COCCC(=O)N1CCO[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019759488 193912134 /nfs/dbraw/zinc/91/21/34/193912134.db2.gz WYAFZJYFEPHGJI-NRFANRHFSA-N 1 1 426.517 1.559 40 0 IDABMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375299 520563114 /nfs/dbraw/zinc/56/31/14/520563114.db2.gz UXKZVKPESZJUQE-ZCBXCUIVSA-N 1 1 436.306 1.350 40 0 IDABMO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000408587648 555937969 /nfs/dbraw/zinc/93/79/69/555937969.db2.gz BTSZZBHDMZVQBA-SFHVURJKSA-N 1 1 439.578 1.243 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000408591486 555951410 /nfs/dbraw/zinc/95/14/10/555951410.db2.gz JETKOIBFDRDJLE-INIZCTEOSA-N 1 1 429.970 1.579 40 0 IDABMO O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCC[NH+]1CCOCC1 ZINC000408626989 555997550 /nfs/dbraw/zinc/99/75/50/555997550.db2.gz WZWZQPQJEXECEP-UHFFFAOYSA-N 1 1 439.578 1.469 40 0 IDABMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000408710316 556117475 /nfs/dbraw/zinc/11/74/75/556117475.db2.gz WXOPFPMVJHZNQW-UHFFFAOYSA-N 1 1 438.528 1.436 40 0 IDABMO COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016187617 556587687 /nfs/dbraw/zinc/58/76/87/556587687.db2.gz GLBGEBCPIYMPTM-UHFFFAOYSA-N 1 1 447.557 1.669 40 0 IDABMO COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]1O ZINC000514289150 556625457 /nfs/dbraw/zinc/62/54/57/556625457.db2.gz WEJYBCAYLZTIHJ-BSWAZPDLSA-N 1 1 433.427 1.946 40 0 biogenic,in-vitro IDABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000257281294 556714949 /nfs/dbraw/zinc/71/49/49/556714949.db2.gz OOLUFLHROYHMIC-QFIPXVFZSA-N 1 1 434.540 1.929 40 0 IDABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000257281294 556714951 /nfs/dbraw/zinc/71/49/51/556714951.db2.gz OOLUFLHROYHMIC-QFIPXVFZSA-N 1 1 434.540 1.929 40 0 IDABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895527 556741057 /nfs/dbraw/zinc/74/10/57/556741057.db2.gz IEQDOLHMEICRAW-UHFFFAOYSA-N 1 1 434.562 1.574 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115746 556751819 /nfs/dbraw/zinc/75/18/19/556751819.db2.gz KSQBJQBUSNNORM-UKDJSQQHSA-N 1 1 447.491 1.589 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019572740 556813284 /nfs/dbraw/zinc/81/32/84/556813284.db2.gz AAKOEEAFUQZGAR-AWEZNQCLSA-N 1 1 438.500 1.745 40 0 IDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019572740 556813287 /nfs/dbraw/zinc/81/32/87/556813287.db2.gz AAKOEEAFUQZGAR-AWEZNQCLSA-N 1 1 438.500 1.745 40 0 IDABMO CN(C)C(=O)[C@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581110 556819202 /nfs/dbraw/zinc/81/92/02/556819202.db2.gz KCLIPZWUXSLZTO-AUSIDOKSSA-N 1 1 427.476 1.786 40 0 IDABMO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019583787 556821443 /nfs/dbraw/zinc/82/14/43/556821443.db2.gz CLTGJAHVJPCGKI-INIZCTEOSA-N 1 1 449.552 1.453 40 0 IDABMO CNc1nc([C@@H]2CCCCN2C(=O)CC[NH+]2CCOCC2)nc2c1CCN(C(C)=O)C2 ZINC000019708643 556869538 /nfs/dbraw/zinc/86/95/38/556869538.db2.gz TVAVLLPDFZQJPA-IBGZPJMESA-N 1 1 430.553 1.199 40 0 IDABMO O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000019751576 556895641 /nfs/dbraw/zinc/89/56/41/556895641.db2.gz ITKIJMHOXMGURB-FQEVSTJZSA-N 1 1 426.492 1.614 40 0 IDABMO Cn1cc(C(=O)N2CCOCC2)c(CC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000019756255 556900053 /nfs/dbraw/zinc/90/00/53/556900053.db2.gz GBWINKDVZJSSEX-UHFFFAOYSA-N 1 1 443.523 1.925 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)Cn4cccn4)C3)nc3ccccc32)CC1 ZINC000019761537 556905002 /nfs/dbraw/zinc/90/50/02/556905002.db2.gz RVAGKQKDIRKZOR-SFHVURJKSA-N 1 1 432.528 1.835 40 0 IDABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1N1CCOCC1 ZINC000072334602 556907091 /nfs/dbraw/zinc/90/70/91/556907091.db2.gz KHEDMVVOOILFBR-NHJWOMDBSA-N 1 1 425.533 1.710 40 0 IDABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1N1CCOCC1 ZINC000072334602 556907095 /nfs/dbraw/zinc/90/70/95/556907095.db2.gz KHEDMVVOOILFBR-NHJWOMDBSA-N 1 1 425.533 1.710 40 0 IDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cnccn4)CCO3)nc3ccccc32)CC1 ZINC000019762747 556907549 /nfs/dbraw/zinc/90/75/49/556907549.db2.gz PZPKLFWRJQYLFN-JOCHJYFZSA-N 1 1 446.511 1.626 40 0 IDABMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c(C)n1C[C@H]1CCCO1 ZINC000072335529 556908617 /nfs/dbraw/zinc/90/86/17/556908617.db2.gz FFXGULYZLHTTLI-LJQANCHMSA-N 1 1 427.549 1.762 40 0 IDABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c(C)n1C[C@H]1CCCO1 ZINC000072335529 556908619 /nfs/dbraw/zinc/90/86/19/556908619.db2.gz FFXGULYZLHTTLI-LJQANCHMSA-N 1 1 427.549 1.762 40 0 IDABMO CC(C)[C@@H]([NH2+][C@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 ZINC000072341212 556913570 /nfs/dbraw/zinc/91/35/70/556913570.db2.gz XHIMYCXSZDYZJZ-FUHWJXTLSA-N 1 1 431.562 1.599 40 0 IDABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380724 556958397 /nfs/dbraw/zinc/95/83/97/556958397.db2.gz VCZLHJWLGYVKPE-INIZCTEOSA-N 1 1 427.505 1.709 40 0 IDABMO 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COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000585269798 557213680 /nfs/dbraw/zinc/21/36/80/557213680.db2.gz KDUMQNVLMNQFPO-HXUWFJFHSA-N 1 1 444.528 1.805 40 0 IDABMO O[C@H]1C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585271739 557216239 /nfs/dbraw/zinc/21/62/39/557216239.db2.gz HAQOABRVWHMTEB-UIOOFZCWSA-N 1 1 436.600 1.886 40 0 IDABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585285049 557224473 /nfs/dbraw/zinc/22/44/73/557224473.db2.gz BXEQXJAKMQKZGH-NRFANRHFSA-N 1 1 428.476 1.170 40 0 IDABMO CC(=O)N1CCC([NH+]2CC3(C2)CN(C(=O)c2ccccc2F)C[C@@H]2COCCN23)CC1 ZINC000604382012 557236706 /nfs/dbraw/zinc/23/67/06/557236706.db2.gz YVFOANPOCGRCJV-LJQANCHMSA-N 1 1 430.524 1.048 40 0 biogenic,in-vitro IDABMO COc1ccc(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@](O)(Cn3cncn3)C2)cc1 ZINC000072354487 557387387 /nfs/dbraw/zinc/38/73/87/557387387.db2.gz TUWDRZPYNZNVNP-DEOSSOPVSA-N 1 1 435.528 1.605 40 0 IDABMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000015957188 557467878 /nfs/dbraw/zinc/46/78/78/557467878.db2.gz DUCJOSYWMDPMOJ-VRTBIJNHSA-N 1 1 449.507 1.613 40 0 IDABMO COc1ccc([C@@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1 ZINC000019171516 557498639 /nfs/dbraw/zinc/49/86/39/557498639.db2.gz JGEFTWQHMQGZHL-OAQYLSRUSA-N 1 1 432.532 1.750 40 0 IDABMO C[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019589835 557501142 /nfs/dbraw/zinc/50/11/42/557501142.db2.gz QTKPLEBVWNIVCS-HXUWFJFHSA-N 1 1 437.504 1.695 40 0 IDABMO COc1ccc2cc(CN(CCCO)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824605 557508577 /nfs/dbraw/zinc/50/85/77/557508577.db2.gz DNJCHUTWFGLVEY-UHFFFAOYSA-N 1 1 448.589 1.318 40 0 IDABMO CN(Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224416680 557603896 /nfs/dbraw/zinc/60/38/96/557603896.db2.gz OXSIUGSGCYSNAJ-UHFFFAOYSA-N 1 1 431.558 1.959 40 0 IDABMO COc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224548457 557620737 /nfs/dbraw/zinc/62/07/37/557620737.db2.gz AJMYPVLNSVKPDX-UHFFFAOYSA-N 1 1 447.557 1.610 40 0 IDABMO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000224557222 557622922 /nfs/dbraw/zinc/62/29/22/557622922.db2.gz LPYWNSOITDTICS-UHFFFAOYSA-N 1 1 446.573 1.448 40 0 IDABMO Cc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224713324 557643425 /nfs/dbraw/zinc/64/34/25/557643425.db2.gz PESGJNUSZDXSAU-UHFFFAOYSA-N 1 1 431.558 1.910 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000224754571 557647935 /nfs/dbraw/zinc/64/79/35/557647935.db2.gz ACDSIIIRSRWEPQ-UHFFFAOYSA-N 1 1 449.548 1.736 40 0 IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCc3ccco3)C[N@@H+]21)Nc1ccccc1 ZINC000015708107 560096511 /nfs/dbraw/zinc/09/65/11/560096511.db2.gz LNYPJEITHBXAMM-SCTDSRPQSA-N 1 1 441.557 1.604 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCc3ccco3)C[N@H+]21)Nc1ccccc1 ZINC000015708107 560096512 /nfs/dbraw/zinc/09/65/12/560096512.db2.gz LNYPJEITHBXAMM-SCTDSRPQSA-N 1 1 441.557 1.604 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)C[N@@H+]21)N1CCCCC1 ZINC000015708536 560096515 /nfs/dbraw/zinc/09/65/15/560096515.db2.gz AFSVHTQKLUYWSP-FCEWJHQRSA-N 1 1 449.502 1.820 40 0 biogenic,in-vitro IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)C[N@H+]21)N1CCCCC1 ZINC000015708536 560096516 /nfs/dbraw/zinc/09/65/16/560096516.db2.gz AFSVHTQKLUYWSP-FCEWJHQRSA-N 1 1 449.502 1.820 40 0 biogenic,in-vitro IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)CC[C@@H]2O)CC1 ZINC000257217370 568673007 /nfs/dbraw/zinc/67/30/07/568673007.db2.gz CYRLVFFUSVULHW-SFTDATJTSA-N 1 1 442.585 1.864 40 0 IDABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 ZINC000257230700 568679366 /nfs/dbraw/zinc/67/93/66/568679366.db2.gz GDMBZWLOJYIZEM-HXUWFJFHSA-N 1 1 436.560 1.542 40 0 IDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 ZINC000257230700 568679367 /nfs/dbraw/zinc/67/93/67/568679367.db2.gz GDMBZWLOJYIZEM-HXUWFJFHSA-N 1 1 436.560 1.542 40 0 IDABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CC[NH3+])cc1 ZINC000257256977 568691923 /nfs/dbraw/zinc/69/19/23/568691923.db2.gz KNPGZPOXCMUHGO-SCPDWHHUSA-N 1 1 431.508 1.681 40 0 IDABMO COc1ccc(CN(C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CC[NH3+])cc1 ZINC000257256977 568691926 /nfs/dbraw/zinc/69/19/26/568691926.db2.gz KNPGZPOXCMUHGO-SCPDWHHUSA-N 1 1 431.508 1.681 40 0 IDABMO Cc1nc2cc(C(=O)N3CC[N@H+](CCc4ccccc4)C[C@H]3C(N)=O)ccc2n1CCO ZINC000257261478 568693795 /nfs/dbraw/zinc/69/37/95/568693795.db2.gz LHMAUYKFGADZSD-QFIPXVFZSA-N 1 1 435.528 1.191 40 0 IDABMO Cc1nc2cc(C(=O)N3CC[N@@H+](CCc4ccccc4)C[C@H]3C(N)=O)ccc2n1CCO ZINC000257261478 568693799 /nfs/dbraw/zinc/69/37/99/568693799.db2.gz LHMAUYKFGADZSD-QFIPXVFZSA-N 1 1 435.528 1.191 40 0 IDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(C)cc4)on3)[C@H]2O)CC1 ZINC000257270813 568698083 /nfs/dbraw/zinc/69/80/83/568698083.db2.gz MVTLVKGVTZIPMO-SYYKKAFVSA-N 1 1 426.517 1.826 40 0 IDABMO O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257276309 568700455 /nfs/dbraw/zinc/70/04/55/568700455.db2.gz NTDRBEYNUCZWOS-QGPMSJSTSA-N 1 1 426.439 1.786 40 0 IDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257279730 568702291 /nfs/dbraw/zinc/70/22/91/568702291.db2.gz OHXWKURZLNZBJP-FPOVZHCZSA-N 1 1 425.533 1.343 40 0 IDABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 ZINC000257285938 568704781 /nfs/dbraw/zinc/70/47/81/568704781.db2.gz PJMNOUGRRHNABS-NRFANRHFSA-N 1 1 437.544 1.033 40 0 IDABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 ZINC000257285938 568704782 /nfs/dbraw/zinc/70/47/82/568704782.db2.gz PJMNOUGRRHNABS-NRFANRHFSA-N 1 1 437.544 1.033 40 0 IDABMO Cc1ncc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257316147 568718362 /nfs/dbraw/zinc/71/83/62/568718362.db2.gz VEIGHVDPMRCSKA-UGKGYDQZSA-N 1 1 437.544 1.859 40 0 IDABMO Cc1n[nH]cc1CN1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316964 568718432 /nfs/dbraw/zinc/71/84/32/568718432.db2.gz VHSQEZMYDDQKRS-HSZRJFAPSA-N 1 1 445.539 1.671 40 0 IDABMO CN(C)C(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000257324806 568722246 /nfs/dbraw/zinc/72/22/46/568722246.db2.gz WQGPNFLPOPKIIG-INIZCTEOSA-N 1 1 427.471 1.548 40 0 IDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000257324806 568722250 /nfs/dbraw/zinc/72/22/50/568722250.db2.gz WQGPNFLPOPKIIG-INIZCTEOSA-N 1 1 427.471 1.548 40 0 IDABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)O1 ZINC000306125543 568763953 /nfs/dbraw/zinc/76/39/53/568763953.db2.gz CTSJCSGIHQYAFO-AWRGLXIESA-N 1 1 442.560 1.301 40 0 IDABMO COc1cccc(NC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)c1 ZINC000306130052 568766210 /nfs/dbraw/zinc/76/62/10/568766210.db2.gz IVBZLQJIFCXLNC-LJQANCHMSA-N 1 1 427.505 1.373 40 0 IDABMO COc1ncccc1C[N@H+]1CC[C@@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 ZINC000306133627 568767978 /nfs/dbraw/zinc/76/79/78/568767978.db2.gz MRSQCUPBLAWFST-HSZRJFAPSA-N 1 1 437.475 1.444 40 0 IDABMO COc1ncccc1C[N@H+]1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306134701 568768640 /nfs/dbraw/zinc/76/86/40/568768640.db2.gz NVMOJHGWZYUXJS-OAQYLSRUSA-N 1 1 425.514 1.466 40 0 IDABMO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCCc2ccccc2)O3)n1 ZINC000306143384 568773104 /nfs/dbraw/zinc/77/31/04/568773104.db2.gz YAVBGFSRUAWSGT-HXUWFJFHSA-N 1 1 425.533 1.084 40 0 IDABMO C[NH+]1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)CC1 ZINC000013567049 568905165 /nfs/dbraw/zinc/90/51/65/568905165.db2.gz VUURQLZMIUWORC-UHFFFAOYSA-N 1 1 431.514 1.427 40 0 IDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000248330309 569207614 /nfs/dbraw/zinc/20/76/14/569207614.db2.gz FLEBKTDYCMBGPX-UZUQRXQVSA-N 1 1 428.533 1.427 40 0 IDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000248339227 569207677 /nfs/dbraw/zinc/20/76/77/569207677.db2.gz SJWMRANMENYLPN-QZTZHPFYSA-N 1 1 441.576 1.848 40 0 IDABMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000253571993 569208809 /nfs/dbraw/zinc/20/88/09/569208809.db2.gz PQMKZDYILXCIJA-SMTRIPRVSA-N 1 1 447.491 1.589 40 0 IDABMO CN(C)CC(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699327 569230429 /nfs/dbraw/zinc/23/04/29/569230429.db2.gz SJTIBBRVGMFFDE-UHFFFAOYSA-N 1 1 441.576 1.168 40 0 IDABMO CS(=O)(=O)N1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000038850830 569249012 /nfs/dbraw/zinc/24/90/12/569249012.db2.gz HRQOOAJIVKGCMA-OAQYLSRUSA-N 1 1 429.542 1.948 40 0 IDABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000107776712 569251269 /nfs/dbraw/zinc/25/12/69/569251269.db2.gz CVARBHADXMNOMD-UHFFFAOYSA-N 1 1 431.558 1.969 40 0 IDABMO CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(C(=O)NCc4ccccc4)CC3(C)C)C2)CC1 ZINC000253409125 291319710 /nfs/dbraw/zinc/31/97/10/291319710.db2.gz ZMNGEZSKRHWKCW-QFIPXVFZSA-N 1 1 427.593 1.988 40 0 biogenic,in-vitro IDABMO C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 ZINC000004236532 291321945 /nfs/dbraw/zinc/32/19/45/291321945.db2.gz FZVQHXYUPQMUHA-UONOGXRCSA-N 1 1 436.559 1.218 40 0 biogenic,in-vitro IDABMO CN(CCOC[C@H]1CCCCO1)C(=O)C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000036719617 522898212 /nfs/dbraw/zinc/89/82/12/522898212.db2.gz GKLPXWWPAKIELI-VQTJNVASSA-N 1 1 446.592 1.803 40 0 IDABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000022246650 525071045 /nfs/dbraw/zinc/07/10/45/525071045.db2.gz FEIAVZIHSUMZQG-IBGZPJMESA-N 1 1 447.557 1.367 40 0 IDABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C(=O)N(CCN1CCOCC1)c1ccccc1C(=O)N2 ZINC000012231863 525353539 /nfs/dbraw/zinc/35/35/39/525353539.db2.gz HVKGSRIAHCNGCZ-NVQXNPDNSA-N 1 1 448.567 1.986 40 0 IDABMO O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000035314126 526725867 /nfs/dbraw/zinc/72/58/67/526725867.db2.gz KSVLWLZIWDVUJJ-UHFFFAOYSA-N 1 1 433.574 1.949 40 0 IDABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012114542 527427934 /nfs/dbraw/zinc/42/79/34/527427934.db2.gz RDRVQCSYTSJOPV-DETIRCLXSA-N 1 1 425.533 1.710 40 0 IDABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012114542 527427937 /nfs/dbraw/zinc/42/79/37/527427937.db2.gz RDRVQCSYTSJOPV-DETIRCLXSA-N 1 1 425.533 1.710 40 0 IDABMO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000408592935 555954619 /nfs/dbraw/zinc/95/46/19/555954619.db2.gz MJCAEKFQIHCHLD-UHFFFAOYSA-N 1 1 427.567 1.147 40 0 IDABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000408593428 555959219 /nfs/dbraw/zinc/95/92/19/555959219.db2.gz NPHYGMIPELXPAJ-SFHVURJKSA-N 1 1 439.578 1.325 40 0 IDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000408627341 555998046 /nfs/dbraw/zinc/99/80/46/555998046.db2.gz ZKADYHLPFPHFLP-UHFFFAOYSA-N 1 1 434.356 1.054 40 0 IDABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000408713589 556131532 /nfs/dbraw/zinc/13/15/32/556131532.db2.gz IUIACIXQGXKIQY-INIZCTEOSA-N 1 1 443.541 1.074 40 0 IDABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000016479534 556611216 /nfs/dbraw/zinc/61/12/16/556611216.db2.gz GPOCCMHUFSZWJL-UHFFFAOYSA-N 1 1 431.558 1.716 40 0 IDABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)[N@H+](C1CCC1)C2 ZINC000514287668 556624441 /nfs/dbraw/zinc/62/44/41/556624441.db2.gz XBWHGJGOLIQYCD-VGRNTABGSA-N 1 1 443.544 1.219 40 0 IDABMO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@@H+](CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514289252 556625518 /nfs/dbraw/zinc/62/55/18/556625518.db2.gz KIVJNPUTDGGUCK-DHIUTWEWSA-N 1 1 449.551 1.661 40 0 biogenic,in-vitro IDABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000039986274 556632696 /nfs/dbraw/zinc/63/26/96/556632696.db2.gz VSWPJWHBSSFQLK-UHFFFAOYSA-N 1 1 427.567 1.243 40 0 IDABMO COCc1nc2ccccc2n1CC(=O)N1CC[N@H+](CCc2ccccc2)C[C@@H]1C(N)=O ZINC000257318589 556704110 /nfs/dbraw/zinc/70/41/10/556704110.db2.gz VOPHOJPALNWLCR-OAQYLSRUSA-N 1 1 435.528 1.424 40 0 IDABMO COCc1nc2ccccc2n1CC(=O)N1CC[N@@H+](CCc2ccccc2)C[C@@H]1C(N)=O ZINC000257318589 556704113 /nfs/dbraw/zinc/70/41/13/556704113.db2.gz VOPHOJPALNWLCR-OAQYLSRUSA-N 1 1 435.528 1.424 40 0 IDABMO CN1CCC[N@H+]([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257332889 556705900 /nfs/dbraw/zinc/70/59/00/556705900.db2.gz XZFJGBDULBAXAT-VXKWHMMOSA-N 1 1 446.636 1.811 40 0 IDABMO COCCOc1cc(C[N@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OC ZINC000257220331 556707537 /nfs/dbraw/zinc/70/75/37/556707537.db2.gz DKKLONUPHSDHFE-DAVBRLECSA-N 1 1 436.549 1.729 40 0 IDABMO Cc1ccc(C2(C[NH+]3CCC(NS(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208400 556708201 /nfs/dbraw/zinc/70/82/01/556708201.db2.gz JHGRWYSSIAUNJF-IBGZPJMESA-N 1 1 426.604 1.598 40 0 IDABMO CC(=O)NC1CCN(C[C@@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264530 556713117 /nfs/dbraw/zinc/71/31/17/556713117.db2.gz LUVXQJNTLOLYKN-DEOSSOPVSA-N 1 1 430.593 1.056 40 0 IDABMO CC(=O)NC1CCN(C[C@@]2(O)CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264530 556713120 /nfs/dbraw/zinc/71/31/20/556713120.db2.gz LUVXQJNTLOLYKN-DEOSSOPVSA-N 1 1 430.593 1.056 40 0 IDABMO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2c1 ZINC000019221423 556715786 /nfs/dbraw/zinc/71/57/86/556715786.db2.gz ANKXLUMADPDLGT-HNNXBMFYSA-N 1 1 437.500 1.380 40 0 IDABMO COc1cc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290675 556715972 /nfs/dbraw/zinc/71/59/72/556715972.db2.gz QDWSPZDRRIOMKL-VWLOTQADSA-N 1 1 441.572 1.825 40 0 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Cc1ccc(CN(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224587872 557627558 /nfs/dbraw/zinc/62/75/58/557627558.db2.gz PMFQOHRIXXDJLI-UHFFFAOYSA-N 1 1 445.585 1.905 40 0 IDABMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224733711 557645473 /nfs/dbraw/zinc/64/54/73/557645473.db2.gz RDFMDTMSMZDXOS-UHFFFAOYSA-N 1 1 431.558 1.764 40 0 IDABMO CN([C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1)S(C)(=O)=O ZINC000224754362 557647930 /nfs/dbraw/zinc/64/79/30/557647930.db2.gz CLCGZPKGQFEKDP-OAQYLSRUSA-N 1 1 431.558 1.768 40 0 IDABMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225963071 557797529 /nfs/dbraw/zinc/79/75/29/557797529.db2.gz ZTPULFOEOVTHKH-UHFFFAOYSA-N 1 1 430.574 1.658 40 0 IDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)N1CCCCC1 ZINC000015708555 560096482 /nfs/dbraw/zinc/09/64/82/560096482.db2.gz SXPZMSAMKUJJNX-OTWHNJEPSA-N 1 1 429.590 1.707 40 0 biogenic,in-vitro IDABMO 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CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3nc4cc(Cl)ccc4n3C)[C@H]2O)CC1 ZINC000257211778 568670824 /nfs/dbraw/zinc/67/08/24/568670824.db2.gz CAIOWHJYJYBHPW-GUDVDZBRSA-N 1 1 433.940 1.355 40 0 IDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257227705 568677909 /nfs/dbraw/zinc/67/79/09/568677909.db2.gz FQNHAKUGSNFWKZ-UNMCSNQZSA-N 1 1 429.561 1.873 40 0 IDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC[C@@H]2O)CC1 ZINC000257229885 568678804 /nfs/dbraw/zinc/67/88/04/568678804.db2.gz FZWGKTMGVANOLJ-VXKWHMMOSA-N 1 1 427.549 1.747 40 0 IDABMO Cc1ncncc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257233421 568680737 /nfs/dbraw/zinc/68/07/37/568680737.db2.gz GPEVFHQMQGAVAE-UGKGYDQZSA-N 1 1 437.544 1.859 40 0 IDABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000257255451 568691011 /nfs/dbraw/zinc/69/10/11/568691011.db2.gz KHNHVRIFRWCJKR-HXUWFJFHSA-N 1 1 448.571 1.797 40 0 IDABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000257255451 568691015 /nfs/dbraw/zinc/69/10/15/568691015.db2.gz KHNHVRIFRWCJKR-HXUWFJFHSA-N 1 1 448.571 1.797 40 0 IDABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)CO)c2)cc1 ZINC000257282080 568702980 /nfs/dbraw/zinc/70/29/80/568702980.db2.gz OSGHYQRHDKZVJY-VXKWHMMOSA-N 1 1 425.529 1.308 40 0 IDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000257314217 568717323 /nfs/dbraw/zinc/71/73/23/568717323.db2.gz UVVXJUONXAFNHN-QHCPKHFHSA-N 1 1 425.508 1.388 40 0 IDABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCC[C@@](C)(C(=O)N3CCOCC3)C2)c1 ZINC000257321080 568720536 /nfs/dbraw/zinc/72/05/36/568720536.db2.gz WAACDNDTWIMKLH-JOCHJYFZSA-N 1 1 432.521 1.553 40 0 IDABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCC[C@@](C)(C(=O)N3CCOCC3)C2)c1 ZINC000257321080 568720537 /nfs/dbraw/zinc/72/05/37/568720537.db2.gz WAACDNDTWIMKLH-JOCHJYFZSA-N 1 1 432.521 1.553 40 0 IDABMO C[N@@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723521 /nfs/dbraw/zinc/72/35/21/568723521.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 1 1 436.556 1.128 40 0 IDABMO C[N@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723523 /nfs/dbraw/zinc/72/35/23/568723523.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 1 1 436.556 1.128 40 0 IDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3scnc3C)C2)cs1 ZINC000306124880 568763558 /nfs/dbraw/zinc/76/35/58/568763558.db2.gz CBGPOTYAAVWICK-IBGZPJMESA-N 1 1 430.559 1.531 40 0 IDABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)O1 ZINC000306125545 568764011 /nfs/dbraw/zinc/76/40/11/568764011.db2.gz CTSJCSGIHQYAFO-HFMPRLQTSA-N 1 1 442.560 1.301 40 0 IDABMO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCc2ccc(F)cc2)O3)n1 ZINC000306134341 568768477 /nfs/dbraw/zinc/76/84/77/568768477.db2.gz NJXXLXAZHTUAMD-LJQANCHMSA-N 1 1 429.496 1.181 40 0 IDABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)n1 ZINC000306138293 568770327 /nfs/dbraw/zinc/77/03/27/568770327.db2.gz RUEVJGBWWLKISK-QHCPKHFHSA-N 1 1 425.533 1.864 40 0 IDABMO CC(C)[NH+]1CCN(C(=O)c2cn3c(nc2=O)[C@]2(CC3)CCN(C(=O)c3ccccc3)C2)CC1 ZINC000306141845 568772399 /nfs/dbraw/zinc/77/23/99/568772399.db2.gz WHXWQZVMLIMYDL-RUZDIDTESA-N 1 1 449.555 1.597 40 0 IDABMO CS(=O)(=O)N[C@H]1CCN(C(=O)N2CCCC2)C[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC000306142191 568772612 /nfs/dbraw/zinc/77/26/12/568772612.db2.gz WSFWVLNBOFPGAD-PKOBYXMFSA-N 1 1 426.608 1.780 40 0 IDABMO C[NH+]1CCN(c2ncc3c(n2)COC32CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000306143575 568773407 /nfs/dbraw/zinc/77/34/07/568773407.db2.gz YFVZGNQFNBWHIY-UHFFFAOYSA-N 1 1 429.546 1.439 40 0 IDABMO CN(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699889 569230841 /nfs/dbraw/zinc/23/08/41/569230841.db2.gz YDGICRNGRWYLLN-IBGZPJMESA-N 1 1 427.549 1.126 40 0 IDABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNS(=O)(=O)c3ccc(C)cc3)n2)CC1 ZINC000019709122 569234779 /nfs/dbraw/zinc/23/47/79/569234779.db2.gz LUBFAQXVZAHMIW-UHFFFAOYSA-N 1 1 447.605 1.958 40 0 IDABMO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019759932 569237572 /nfs/dbraw/zinc/23/75/72/569237572.db2.gz HOEFTYLAKRONPB-INIZCTEOSA-N 1 1 433.534 1.877 40 0 IDABMO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019759932 569237573 /nfs/dbraw/zinc/23/75/73/569237573.db2.gz HOEFTYLAKRONPB-INIZCTEOSA-N 1 1 433.534 1.877 40 0 IDABMO Cc1nc(C2CCN(C(=O)CCC[NH+]3CCOCC3)CC2)ncc1C(=O)N1CCCC1 ZINC000019766439 569239362 /nfs/dbraw/zinc/23/93/62/569239362.db2.gz KEQYRVHBZQUXAX-UHFFFAOYSA-N 1 1 429.565 1.839 40 0 IDABMO COc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000025767183 569241995 /nfs/dbraw/zinc/24/19/95/569241995.db2.gz NWCDVOBIGJEYDW-UHFFFAOYSA-N 1 1 447.557 1.982 40 0 IDABMO CCS(=O)(=O)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000026112541 569242159 /nfs/dbraw/zinc/24/21/59/569242159.db2.gz FFECGAOSMDUVSS-NRFANRHFSA-N 1 1 429.542 1.948 40 0 IDABMO