smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1c[nH+]c(CNC2(Cc3cc(CN4CCOCC4)on3)COC2)[nH]1 ZINC000067898422 202042668 /nfs/dbraw/zinc/04/26/68/202042668.db2.gz LVKBNJHSDIUEON-UHFFFAOYSA-N 1 2 333.392 0.331 40 0 biogenic,in-vitro ECABLO COc1ccc2cc(C(=O)NCC[NH+]3CCOCC3)c(=O)oc2c1 ZINC000226043550 242087376 /nfs/dbraw/zinc/08/73/76/242087376.db2.gz OIGIXGFNCSCILP-UHFFFAOYSA-N 1 2 332.356 0.864 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)Cn3cccn3)CC[N@@H+]2C)c1 ZINC000257201516 244122071 /nfs/dbraw/zinc/12/20/71/244122071.db2.gz AHYPLUQCAZFPDK-INIZCTEOSA-N 1 2 341.415 0.758 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)Cn3cccn3)CC[N@H+]2C)c1 ZINC000257201516 244122076 /nfs/dbraw/zinc/12/20/76/244122076.db2.gz AHYPLUQCAZFPDK-INIZCTEOSA-N 1 2 341.415 0.758 40 0 ECABLO CC(C)n1cc[nH+]c1CN1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257204372 244129268 /nfs/dbraw/zinc/12/92/68/244129268.db2.gz AUGJIYATJISCPI-ZIAGYGMSSA-N 1 2 330.392 0.229 40 0 ECABLO CC(=O)N1CC[N@H+](CC(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000257258247 244288373 /nfs/dbraw/zinc/28/83/73/244288373.db2.gz KSYRRIKYHUMUEI-QGZVFWFLSA-N 1 2 331.416 0.751 40 0 ECABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000257258247 244288378 /nfs/dbraw/zinc/28/83/78/244288378.db2.gz KSYRRIKYHUMUEI-QGZVFWFLSA-N 1 2 331.416 0.751 40 0 ECABLO Cc1ncsc1C[N@@H+]1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000257258486 244291105 /nfs/dbraw/zinc/29/11/05/244291105.db2.gz KUFADVVQOSLQTQ-OAHLLOKOSA-N 1 2 325.434 0.901 40 0 ECABLO Cc1ncsc1C[N@H+]1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000257258486 244291109 /nfs/dbraw/zinc/29/11/09/244291109.db2.gz KUFADVVQOSLQTQ-OAHLLOKOSA-N 1 2 325.434 0.901 40 0 ECABLO CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC000107787296 204247652 /nfs/dbraw/zinc/24/76/52/204247652.db2.gz DZNYVLMRRZUDFU-RHSMWYFYSA-N 1 2 336.436 0.648 40 0 ECABLO CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC000107787296 204247656 /nfs/dbraw/zinc/24/76/56/204247656.db2.gz DZNYVLMRRZUDFU-RHSMWYFYSA-N 1 2 336.436 0.648 40 0 ECABLO CC(C)NC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2C1 ZINC000096254028 275655014 /nfs/dbraw/zinc/65/50/14/275655014.db2.gz LJIJSFAZGNMGAH-UHFFFAOYSA-N 1 2 348.451 0.855 40 0 ECABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000019572517 436108074 /nfs/dbraw/zinc/10/80/74/436108074.db2.gz VBMCGPOAWDYBNB-MRXNPFEDSA-N 1 2 340.445 0.764 40 0 ECABLO Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCOCC1 ZINC000096183962 436520047 /nfs/dbraw/zinc/52/00/47/436520047.db2.gz LDJXCTPOBSBNID-CABCVRRESA-N 1 2 347.415 0.736 40 0 ECABLO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC[NH+]2CCOCC2)nc1 ZINC000096186321 436520079 /nfs/dbraw/zinc/52/00/79/436520079.db2.gz SYLSNTVCRVBTRB-HOTGVXAUSA-N 1 2 345.447 0.687 40 0 ECABLO CC(=O)NCC(=O)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198984 436521604 /nfs/dbraw/zinc/52/16/04/436521604.db2.gz YAURWQIGEMQDJK-UHFFFAOYSA-N 1 2 339.399 0.962 40 0 ECABLO CCOc1ccc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095534256 436499662 /nfs/dbraw/zinc/49/96/62/436499662.db2.gz UTXQHHLYYLYOOW-AWEZNQCLSA-N 1 2 329.364 0.900 40 0 ECABLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(S(=O)(=O)C1CC1)C2 ZINC000096059609 436508789 /nfs/dbraw/zinc/50/87/89/436508789.db2.gz UVPSSOQHDTVWCA-UHFFFAOYSA-N 1 2 349.416 0.186 40 0 ECABLO COc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3C2)cc1 ZINC000096081591 436510127 /nfs/dbraw/zinc/51/01/27/436510127.db2.gz GVSGMGMHGVHRBF-HZPDHXFCSA-N 1 2 347.415 0.195 40 0 ECABLO COc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3C2)cc1 ZINC000096081591 436510131 /nfs/dbraw/zinc/51/01/31/436510131.db2.gz GVSGMGMHGVHRBF-HZPDHXFCSA-N 1 2 347.415 0.195 40 0 ECABLO CC(C)COC[C@H]1Cn2c[nH+]cc2CN(C(=O)CS(C)(=O)=O)C1 ZINC000096209689 436524518 /nfs/dbraw/zinc/52/45/18/436524518.db2.gz DACBWKZMDSHBBU-CYBMUJFWSA-N 1 2 343.449 0.559 40 0 ECABLO Cc1ncc(C[N@@H+]2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)cn1 ZINC000108525893 436619595 /nfs/dbraw/zinc/61/95/95/436619595.db2.gz YVSMBABSVFOUSA-KBPBESRZSA-N 1 2 326.422 0.020 40 0 ECABLO Cc1ncc(C[N@H+]2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)cn1 ZINC000108525893 436619599 /nfs/dbraw/zinc/61/95/99/436619599.db2.gz YVSMBABSVFOUSA-KBPBESRZSA-N 1 2 326.422 0.020 40 0 ECABLO Cc1cn([C@@H]2C[N@H+](Cc3nccs3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257247286 436859669 /nfs/dbraw/zinc/85/96/69/436859669.db2.gz IYHLCSMVFHGLKY-IAQYHMDHSA-N 1 2 336.417 0.912 40 0 ECABLO Cc1cn([C@@H]2C[N@@H+](Cc3nccs3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257247286 436859673 /nfs/dbraw/zinc/85/96/73/436859673.db2.gz IYHLCSMVFHGLKY-IAQYHMDHSA-N 1 2 336.417 0.912 40 0 ECABLO CC(=O)N1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C(N)=O ZINC000257302348 436865679 /nfs/dbraw/zinc/86/56/79/436865679.db2.gz SCOOOQNSDMXITA-INIZCTEOSA-N 1 2 345.378 0.529 40 0 ECABLO CC(=O)N1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C(N)=O ZINC000257302348 436865684 /nfs/dbraw/zinc/86/56/84/436865684.db2.gz SCOOOQNSDMXITA-INIZCTEOSA-N 1 2 345.378 0.529 40 0 ECABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2N1C1CCOCC1 ZINC000257332804 436872192 /nfs/dbraw/zinc/87/21/92/436872192.db2.gz XYSIWVYGPHMPNE-HOTGVXAUSA-N 1 2 335.379 0.811 40 0 ECABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2N1C1CCOCC1 ZINC000257332804 436872197 /nfs/dbraw/zinc/87/21/97/436872197.db2.gz XYSIWVYGPHMPNE-HOTGVXAUSA-N 1 2 335.379 0.811 40 0 ECABLO NS(=O)(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccco3)C2=O)cc1 ZINC000261527000 436878701 /nfs/dbraw/zinc/87/87/01/436878701.db2.gz UNKZXSGCJNCBOJ-CYBMUJFWSA-N 1 2 349.368 0.349 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C3=CCCC3)C2)C[N@@H+]1CC1CC1 ZINC000306124786 437163744 /nfs/dbraw/zinc/16/37/44/437163744.db2.gz BZNWBEPHWOEUQI-HNNXBMFYSA-N 1 2 333.432 0.535 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C3=CCCC3)C2)C[N@H+]1CC1CC1 ZINC000306124786 437163748 /nfs/dbraw/zinc/16/37/48/437163748.db2.gz BZNWBEPHWOEUQI-HNNXBMFYSA-N 1 2 333.432 0.535 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CO)N(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000585094585 439628269 /nfs/dbraw/zinc/62/82/69/439628269.db2.gz CKZSILGVESHPMI-LLVKDONJSA-N 1 2 325.365 0.667 40 0 ECABLO Cc1nonc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280731 439640526 /nfs/dbraw/zinc/64/05/26/439640526.db2.gz OEXADMGQCAAJKN-CABCVRRESA-N 1 2 330.388 1.242 40 0 ECABLO Cc1nonc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280731 439640529 /nfs/dbraw/zinc/64/05/29/439640529.db2.gz OEXADMGQCAAJKN-CABCVRRESA-N 1 2 330.388 1.242 40 0 ECABLO O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(Cn2cc[nH+]c2)C1 ZINC000585289841 439641706 /nfs/dbraw/zinc/64/17/06/439641706.db2.gz KSKCUFMAKHNKDE-CABCVRRESA-N 1 2 337.401 0.070 40 0 ECABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000585096169 439627852 /nfs/dbraw/zinc/62/78/52/439627852.db2.gz WRNFCCGFKNCSDN-OAHLLOKOSA-N 1 2 334.420 0.965 40 0 ECABLO COc1ncc(C2(O)CC[NH+](CC3=COCCO3)CC2)c(OC)n1 ZINC000019594843 202015906 /nfs/dbraw/zinc/01/59/06/202015906.db2.gz WKFSEPIVINDWDY-UHFFFAOYSA-N 1 2 337.376 0.665 40 0 ECABLO Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257205648 244133788 /nfs/dbraw/zinc/13/37/88/244133788.db2.gz AZZRARGOBVAEST-GOSISDBHSA-N 1 2 343.431 0.814 40 0 ECABLO CCCn1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CC[NH+](C)CC3)CC2)n1 ZINC000257219100 244176929 /nfs/dbraw/zinc/17/69/29/244176929.db2.gz DFOOQDVYZLDVBK-IRXDYDNUSA-N 1 2 349.479 0.506 40 0 ECABLO CC(C)[N@@H+]1CCN(C(=O)CCn2ncc3ccccc32)C[C@@H]1C(N)=O ZINC000257239121 244239687 /nfs/dbraw/zinc/23/96/87/244239687.db2.gz HOARZZYITCHJDN-MRXNPFEDSA-N 1 2 343.431 0.833 40 0 ECABLO CC(C)[N@H+]1CCN(C(=O)CCn2ncc3ccccc32)C[C@@H]1C(N)=O ZINC000257239121 244239693 /nfs/dbraw/zinc/23/96/93/244239693.db2.gz HOARZZYITCHJDN-MRXNPFEDSA-N 1 2 343.431 0.833 40 0 ECABLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cn1 ZINC000257266993 244363445 /nfs/dbraw/zinc/36/34/45/244363445.db2.gz MFLIUQREWABHDZ-HZPDHXFCSA-N 1 2 329.404 0.663 40 0 ECABLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cn1 ZINC000257266993 244363448 /nfs/dbraw/zinc/36/34/48/244363448.db2.gz MFLIUQREWABHDZ-HZPDHXFCSA-N 1 2 329.404 0.663 40 0 ECABLO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257262977 244354035 /nfs/dbraw/zinc/35/40/35/244354035.db2.gz LNVUMNMBEQCUIY-KRWDZBQOSA-N 1 2 329.404 0.885 40 0 ECABLO Cn1nccc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC000108530503 204264938 /nfs/dbraw/zinc/26/49/38/204264938.db2.gz PTTLGYRCKRLTRA-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1nccc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC000108530503 204264941 /nfs/dbraw/zinc/26/49/41/204264941.db2.gz PTTLGYRCKRLTRA-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccsc2)Cc2c[nH+]cn21 ZINC000247501977 295532224 /nfs/dbraw/zinc/53/22/24/295532224.db2.gz FSRSRXFCQCRQKV-GFCCVEGCSA-N 1 2 340.430 0.691 40 0 ECABLO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000019497881 436108684 /nfs/dbraw/zinc/10/86/84/436108684.db2.gz PAWSZMTZJCLLQI-WBMJQRKESA-N 1 2 340.445 0.763 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)N4CCOCC4)O[C@@H]3C2)no1 ZINC000096042942 436504434 /nfs/dbraw/zinc/50/44/34/436504434.db2.gz YEQDCYXFNNCXQT-CWRNSKLLSA-N 1 2 335.404 0.821 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)N4CCOCC4)O[C@@H]3C2)no1 ZINC000096042942 436504436 /nfs/dbraw/zinc/50/44/36/436504436.db2.gz YEQDCYXFNNCXQT-CWRNSKLLSA-N 1 2 335.404 0.821 40 0 ECABLO CS(=O)(=O)NCc1c[nH+]c2n1CCN(C(=O)c1ccccn1)CC2 ZINC000096067924 436509896 /nfs/dbraw/zinc/50/98/96/436509896.db2.gz LTXZOQYLJXVWKJ-UHFFFAOYSA-N 1 2 349.416 0.026 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000247550461 436795538 /nfs/dbraw/zinc/79/55/38/436795538.db2.gz VRRSFXCXAKEUER-CYBMUJFWSA-N 1 2 325.434 0.612 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](C2CCOCC2)Cc2cncn21 ZINC000247522360 436795952 /nfs/dbraw/zinc/79/59/52/436795952.db2.gz LYKFMJWXMUVZSC-CYBMUJFWSA-N 1 2 328.438 0.358 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](C2CCOCC2)Cc2cncn21 ZINC000247522360 436795956 /nfs/dbraw/zinc/79/59/56/436795956.db2.gz LYKFMJWXMUVZSC-CYBMUJFWSA-N 1 2 328.438 0.358 40 0 ECABLO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)cc(N(C)C)n1 ZINC000257202734 436860079 /nfs/dbraw/zinc/86/00/79/436860079.db2.gz ANDCMOPKLGNTPT-HNNXBMFYSA-N 1 2 333.436 0.847 40 0 ECABLO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)cc(N(C)C)n1 ZINC000257202734 436860084 /nfs/dbraw/zinc/86/00/84/436860084.db2.gz ANDCMOPKLGNTPT-HNNXBMFYSA-N 1 2 333.436 0.847 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ncoc3C)C2)nc[nH+]1 ZINC000257278361 436862088 /nfs/dbraw/zinc/86/20/88/436862088.db2.gz OBYKBSZWNQJASK-MRXNPFEDSA-N 1 2 346.391 0.528 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ncoc3C)C2)[nH+]cn1 ZINC000257278361 436862089 /nfs/dbraw/zinc/86/20/89/436862089.db2.gz OBYKBSZWNQJASK-MRXNPFEDSA-N 1 2 346.391 0.528 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@@H+]1C ZINC000257267085 436862341 /nfs/dbraw/zinc/86/23/41/436862341.db2.gz MFXPISORSIHRGI-CYBMUJFWSA-N 1 2 341.433 0.060 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@H+]1C ZINC000257267085 436862345 /nfs/dbraw/zinc/86/23/45/436862345.db2.gz MFXPISORSIHRGI-CYBMUJFWSA-N 1 2 341.433 0.060 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000257329091 436872452 /nfs/dbraw/zinc/87/24/52/436872452.db2.gz XIJAYJHQVGMDKN-CYBMUJFWSA-N 1 2 346.387 0.062 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@H+]1C ZINC000257329091 436872457 /nfs/dbraw/zinc/87/24/57/436872457.db2.gz XIJAYJHQVGMDKN-CYBMUJFWSA-N 1 2 346.387 0.062 40 0 ECABLO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)s1 ZINC000306143503 437168720 /nfs/dbraw/zinc/16/87/20/437168720.db2.gz YDVDCHXLHAYLGN-HNNXBMFYSA-N 1 2 334.401 0.476 40 0 ECABLO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)s1 ZINC000306143503 437168725 /nfs/dbraw/zinc/16/87/25/437168725.db2.gz YDVDCHXLHAYLGN-HNNXBMFYSA-N 1 2 334.401 0.476 40 0 ECABLO O=C(N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1)C1(c2ccccc2F)CC1 ZINC000257308483 303698263 /nfs/dbraw/zinc/69/82/63/303698263.db2.gz TWWPADBISOJLSI-HZPDHXFCSA-N 1 2 334.391 0.761 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403980 438747550 /nfs/dbraw/zinc/74/75/50/438747550.db2.gz KDVFXFFINIYSNT-VNQPRFMTSA-N 1 2 347.459 0.567 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403980 438747552 /nfs/dbraw/zinc/74/75/52/438747552.db2.gz KDVFXFFINIYSNT-VNQPRFMTSA-N 1 2 347.459 0.567 40 0 ECABLO CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289762 438812583 /nfs/dbraw/zinc/81/25/83/438812583.db2.gz OKMDRHDLUXWDDD-JKSUJKDBSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289762 438812587 /nfs/dbraw/zinc/81/25/87/438812587.db2.gz OKMDRHDLUXWDDD-JKSUJKDBSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC000585182238 439634915 /nfs/dbraw/zinc/63/49/15/439634915.db2.gz OBFPXXXNFKWRFQ-IAGOWNOFSA-N 1 2 349.406 0.104 40 0 ECABLO O=C(Cn1cc[nH+]c1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585275749 439636903 /nfs/dbraw/zinc/63/69/03/439636903.db2.gz JCPTYXQJNCBJEQ-KRWDZBQOSA-N 1 2 333.363 0.855 40 0 ECABLO CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1OC ZINC000585286986 439640050 /nfs/dbraw/zinc/64/00/50/439640050.db2.gz QCLLTLPOTRBCKP-CPUCHLNUSA-N 1 2 333.388 0.764 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)Cc2c[nH+]cn21 ZINC000585095964 439627079 /nfs/dbraw/zinc/62/70/79/439627079.db2.gz HLPNHHUMMSMRQK-ZFWWWQNUSA-N 1 2 326.356 0.516 40 0 ECABLO CCc1nnsc1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257215484 535868334 /nfs/dbraw/zinc/86/83/34/535868334.db2.gz CQHFFWZWWZKYES-OAHLLOKOSA-N 1 2 333.417 0.867 40 0 ECABLO Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019584006 202013098 /nfs/dbraw/zinc/01/30/98/202013098.db2.gz GOGDXZYAVSGTRP-CQSZACIVSA-N 1 2 342.465 0.461 40 0 ECABLO CN(C)S(=O)(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706168 202017070 /nfs/dbraw/zinc/01/70/70/202017070.db2.gz GBDAIUBPHHZPON-LBPRGKRZSA-N 1 2 342.469 0.099 40 0 ECABLO CN(C)S(=O)(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706168 202017074 /nfs/dbraw/zinc/01/70/74/202017074.db2.gz GBDAIUBPHHZPON-LBPRGKRZSA-N 1 2 342.469 0.099 40 0 ECABLO O=S1(=O)CC[C@@H](Nc2ccc([NH2+][C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000040177517 202428543 /nfs/dbraw/zinc/42/85/43/202428543.db2.gz RLGDMQXDSGLJTQ-OKILXGFUSA-N 1 2 344.458 0.885 40 0 ECABLO O=S1(=O)CC[C@@H]([NH2+]c2ccc(N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000040177517 202428546 /nfs/dbraw/zinc/42/85/46/202428546.db2.gz RLGDMQXDSGLJTQ-OKILXGFUSA-N 1 2 344.458 0.885 40 0 ECABLO O=C([C@@H]1CN(c2ncc(F)cn2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000247847049 296053757 /nfs/dbraw/zinc/05/37/57/296053757.db2.gz HHBQZHIGRAVRLY-ZDUSSCGKSA-N 1 2 332.339 0.928 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccnc3)C2)nc[nH+]1 ZINC000257203271 244126351 /nfs/dbraw/zinc/12/63/51/244126351.db2.gz APHJEDYROMKPMT-GOSISDBHSA-N 1 2 341.415 0.870 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257211717 244152919 /nfs/dbraw/zinc/15/29/19/244152919.db2.gz CABSFJNRHNLLOE-SNVBAGLBSA-N 1 2 325.394 0.120 40 0 ECABLO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257215450 244164298 /nfs/dbraw/zinc/16/42/98/244164298.db2.gz CQDLAJPMCSIFGC-LBPRGKRZSA-N 1 2 331.376 0.061 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@H](n3cc(C)c(=O)[nH]c3=O)C2)no1 ZINC000257223586 244191464 /nfs/dbraw/zinc/19/14/64/244191464.db2.gz DXZZUZROMWYBKR-CZUORRHYSA-N 1 2 334.376 0.752 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@H](n3cc(C)c(=O)[nH]c3=O)C2)no1 ZINC000257223586 244191466 /nfs/dbraw/zinc/19/14/66/244191466.db2.gz DXZZUZROMWYBKR-CZUORRHYSA-N 1 2 334.376 0.752 40 0 ECABLO CC(=O)N1CCCN(c2cc([C@@H]3C[N@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387187 203211712 /nfs/dbraw/zinc/21/17/12/203211712.db2.gz YEUITURAPHOYLD-INIZCTEOSA-N 1 2 333.436 0.847 40 0 ECABLO CC(=O)N1CCCN(c2cc([C@@H]3C[N@@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387187 203211716 /nfs/dbraw/zinc/21/17/16/203211716.db2.gz YEUITURAPHOYLD-INIZCTEOSA-N 1 2 333.436 0.847 40 0 ECABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000072388445 203212004 /nfs/dbraw/zinc/21/20/04/203212004.db2.gz RLHMAFKJLVROKB-KRWDZBQOSA-N 1 2 342.403 0.879 40 0 ECABLO c1cnc(N2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)nc1 ZINC000072348179 203203722 /nfs/dbraw/zinc/20/37/22/203203722.db2.gz VAZFHGVFUPMJSM-UHFFFAOYSA-N 1 2 341.419 0.425 40 0 ECABLO CS(=O)(=O)N1CCC(c2cccc(N3CC[C@H](O)C3)[nH+]2)CC1 ZINC000072365306 203208079 /nfs/dbraw/zinc/20/80/79/203208079.db2.gz OLEPPQJHVPETQK-ZDUSSCGKSA-N 1 2 325.434 0.792 40 0 ECABLO CC(C)C(=O)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290048 257845691 /nfs/dbraw/zinc/84/56/91/257845691.db2.gz RYZQGBGWFBXDQD-IAGOWNOFSA-N 1 2 344.459 0.569 40 0 biogenic,in-vitro ECABLO CC(C)C(=O)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290048 257845693 /nfs/dbraw/zinc/84/56/93/257845693.db2.gz RYZQGBGWFBXDQD-IAGOWNOFSA-N 1 2 344.459 0.569 40 0 biogenic,in-vitro ECABLO CCOC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000096187801 286181166 /nfs/dbraw/zinc/18/11/66/286181166.db2.gz DGWZRFRAPMSBIH-LBPRGKRZSA-N 1 2 339.421 0.474 40 0 ECABLO OCCNc1nc(Nc2ccccc2F)nc(N2CCOCC2)[nH+]1 ZINC000004619233 435979857 /nfs/dbraw/zinc/97/98/57/435979857.db2.gz HGPOKFSQQZLZTF-UHFFFAOYSA-N 1 2 334.355 0.995 40 0 ECABLO O=C1CCCc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829488 436262798 /nfs/dbraw/zinc/26/27/98/436262798.db2.gz SSOHWTBRTVZRCK-UHFFFAOYSA-N 1 2 343.387 0.581 40 0 ECABLO O=C(c1ccno1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188734 436521377 /nfs/dbraw/zinc/52/13/77/436521377.db2.gz MQXVWVKSRWYUQA-GFCCVEGCSA-N 1 2 340.343 0.400 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096086925 436512617 /nfs/dbraw/zinc/51/26/17/436512617.db2.gz SNDLVRCHNMYCCO-AWEZNQCLSA-N 1 2 344.419 0.414 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096086925 436512619 /nfs/dbraw/zinc/51/26/19/436512619.db2.gz SNDLVRCHNMYCCO-AWEZNQCLSA-N 1 2 344.419 0.414 40 0 ECABLO COCC(=O)N1CCn2cc(C[N@H+](C)Cc3cccnc3)nc2C1 ZINC000096086873 436512722 /nfs/dbraw/zinc/51/27/22/436512722.db2.gz UWEIXRGNIPRMMY-UHFFFAOYSA-N 1 2 329.404 0.899 40 0 ECABLO COCC(=O)N1CCn2cc(C[N@@H+](C)Cc3cccnc3)nc2C1 ZINC000096086873 436512723 /nfs/dbraw/zinc/51/27/23/436512723.db2.gz UWEIXRGNIPRMMY-UHFFFAOYSA-N 1 2 329.404 0.899 40 0 ECABLO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)C1CC1 ZINC000245482320 436762295 /nfs/dbraw/zinc/76/22/95/436762295.db2.gz ISPLBHLZVORHNV-RAIGVLPGSA-N 1 2 343.474 0.672 40 0 ECABLO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)C1CC1 ZINC000245482320 436762300 /nfs/dbraw/zinc/76/23/00/436762300.db2.gz ISPLBHLZVORHNV-RAIGVLPGSA-N 1 2 343.474 0.672 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNS(=O)(=O)C4CC4)[C@H]3C2)no1 ZINC000247915230 436798465 /nfs/dbraw/zinc/79/84/65/436798465.db2.gz MLNGDHJOSPPHLS-KCPJHIHWSA-N 1 2 341.433 0.512 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNS(=O)(=O)C4CC4)[C@H]3C2)no1 ZINC000247915230 436798466 /nfs/dbraw/zinc/79/84/66/436798466.db2.gz MLNGDHJOSPPHLS-KCPJHIHWSA-N 1 2 341.433 0.512 40 0 ECABLO CCn1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257287174 436861418 /nfs/dbraw/zinc/86/14/18/436861418.db2.gz POVHZVABQHMDDA-KRWDZBQOSA-N 1 2 344.419 0.763 40 0 ECABLO O=S(=O)(c1cccs1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257287913 436861534 /nfs/dbraw/zinc/86/15/34/436861534.db2.gz PRYVMVIJJVIKIY-CYBMUJFWSA-N 1 2 332.447 0.206 40 0 ECABLO Cc1cn(C)c([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000257319286 436870201 /nfs/dbraw/zinc/87/02/01/436870201.db2.gz VRSVRKPMYZRREC-NSHDSACASA-N 1 2 333.392 0.375 40 0 ECABLO Cc1nc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cs1 ZINC000257333628 436872277 /nfs/dbraw/zinc/87/22/77/436872277.db2.gz YCIQIFPWKQMCEC-ZBFHGGJFSA-N 1 2 348.428 0.184 40 0 ECABLO Cc1nc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cs1 ZINC000257333628 436872278 /nfs/dbraw/zinc/87/22/78/436872278.db2.gz YCIQIFPWKQMCEC-ZBFHGGJFSA-N 1 2 348.428 0.184 40 0 ECABLO COCCNC(=O)[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306126381 437165599 /nfs/dbraw/zinc/16/55/99/437165599.db2.gz DUBGKXAPGYZPFI-OAHLLOKOSA-N 1 2 345.447 0.925 40 0 ECABLO COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306142287 437167585 /nfs/dbraw/zinc/16/75/85/437167585.db2.gz WVMAOUXZAMTSNT-KDOFPFPSSA-N 1 2 346.431 0.621 40 0 ECABLO OCCNc1nc(NCCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329010136 437303157 /nfs/dbraw/zinc/30/31/57/437303157.db2.gz LZOLEZVOULWFHL-UHFFFAOYSA-N 1 2 336.399 0.836 40 0 ECABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NCCO)[nH+]cn1)CC2 ZINC000329013504 437303625 /nfs/dbraw/zinc/30/36/25/437303625.db2.gz MQBFZLMLPWOGGN-UHFFFAOYSA-N 1 2 349.416 0.091 40 0 ECABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NCCO)nc[nH+]1)CC2 ZINC000329013504 437303641 /nfs/dbraw/zinc/30/36/41/437303641.db2.gz MQBFZLMLPWOGGN-UHFFFAOYSA-N 1 2 349.416 0.091 40 0 ECABLO O=C(c1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](CCCO)C2)C1 ZINC000514290157 438811404 /nfs/dbraw/zinc/81/14/04/438811404.db2.gz UQTRRJHIHIVFQR-IAGOWNOFSA-N 1 2 345.443 0.014 40 0 biogenic,in-vitro ECABLO CN1CC[NH+](C[C@@H]2OC[C@H](NC(=O)Nc3cccs3)[C@H]2O)CC1 ZINC000514289620 438812080 /nfs/dbraw/zinc/81/20/80/438812080.db2.gz WVSNSWYIWXNSMP-SGMGOOAPSA-N 1 2 340.449 0.245 40 0 biogenic,in-vitro ECABLO O=C(CN1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1)N1CCCC1 ZINC000585096964 439630151 /nfs/dbraw/zinc/63/01/51/439630151.db2.gz GCCSEFKKNAQGFN-INIZCTEOSA-N 1 2 347.463 0.412 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](CNS(C)(=O)=O)N(Cc1ccccc1)C2 ZINC000585094611 439627367 /nfs/dbraw/zinc/62/73/67/439627367.db2.gz FOQFGIKMABQKEW-AWEZNQCLSA-N 1 2 334.445 0.896 40 0 ECABLO CCCCc1[nH]c(CN2CCN(C(C)=O)C[C@@H](C(=O)NC)C2)c[nH+]1 ZINC000257263439 535100663 /nfs/dbraw/zinc/10/06/63/535100663.db2.gz LPYFCQVOTCLVAW-AWEZNQCLSA-N 1 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Cc1cn([C@H]2CC[N@H+](Cc3nccn3C)C[C@]2(C)O)c(=O)[nH]c1=O ZINC000257267496 244366410 /nfs/dbraw/zinc/36/64/10/244366410.db2.gz MHNKDVUVUVFHSV-LRDDRELGSA-N 1 2 333.392 0.189 40 0 ECABLO CC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420184 206239752 /nfs/dbraw/zinc/23/97/52/206239752.db2.gz NPECJSMGFDAYKF-MOROJQBDSA-N 1 2 346.383 0.892 40 0 ECABLO O=C(c1ccc[nH]1)N1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160297 436517271 /nfs/dbraw/zinc/51/72/71/436517271.db2.gz QDXPSVZVYULIMF-QAPCUYQASA-N 1 2 349.431 0.737 40 0 ECABLO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C)n2)C1 ZINC000096188798 436520471 /nfs/dbraw/zinc/52/04/71/436520471.db2.gz NJXCZFVQNARNCB-OAHLLOKOSA-N 1 2 343.431 0.981 40 0 ECABLO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(C)n2)C1 ZINC000096188798 436520476 /nfs/dbraw/zinc/52/04/76/436520476.db2.gz NJXCZFVQNARNCB-OAHLLOKOSA-N 1 2 343.431 0.981 40 0 ECABLO CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222747199 436703453 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0.923 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)cn1 ZINC000096049853 436507367 /nfs/dbraw/zinc/50/73/67/436507367.db2.gz ZZYLWYKOOVOQNQ-SFHVURJKSA-N 1 2 343.431 0.923 40 0 ECABLO CS(=O)(=O)N1CCOC[C@]2(C[N@H+](Cc3ccsc3)CCO2)C1 ZINC000096229502 436526013 /nfs/dbraw/zinc/52/60/13/436526013.db2.gz IUJHWHOAXCNAIO-AWEZNQCLSA-N 1 2 346.474 0.611 40 0 ECABLO CS(=O)(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccsc3)CCO2)C1 ZINC000096229502 436526018 /nfs/dbraw/zinc/52/60/18/436526018.db2.gz IUJHWHOAXCNAIO-AWEZNQCLSA-N 1 2 346.474 0.611 40 0 ECABLO CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccsc2)Cc2c[nH+]cn21 ZINC000247501992 436794787 /nfs/dbraw/zinc/79/47/87/436794787.db2.gz FSRSRXFCQCRQKV-LBPRGKRZSA-N 1 2 340.430 0.691 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CC[C@H](CN3CCCC3=O)O2)C1 ZINC000248154499 436801234 /nfs/dbraw/zinc/80/12/34/436801234.db2.gz VEMBMSLBYKVDGA-QAPCUYQASA-N 1 2 348.447 0.793 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CC[C@H](CN3CCCC3=O)O2)C1 ZINC000248154499 436801236 /nfs/dbraw/zinc/80/12/36/436801236.db2.gz VEMBMSLBYKVDGA-QAPCUYQASA-N 1 2 348.447 0.793 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CC[C@H](CN3CCCC3=O)O2)C1 ZINC000248154499 436801240 /nfs/dbraw/zinc/80/12/40/436801240.db2.gz VEMBMSLBYKVDGA-QAPCUYQASA-N 1 2 348.447 0.793 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257246577 436860250 /nfs/dbraw/zinc/86/02/50/436860250.db2.gz IUSZPUUOPWPPJP-CYBMUJFWSA-N 1 2 331.376 0.487 40 0 ECABLO C[N@@H+]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000257299793 436866594 /nfs/dbraw/zinc/86/65/94/436866594.db2.gz RRPURYJACZROMA-HNNXBMFYSA-N 1 2 325.434 0.552 40 0 ECABLO C[N@H+]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000257299793 436866598 /nfs/dbraw/zinc/86/65/98/436866598.db2.gz RRPURYJACZROMA-HNNXBMFYSA-N 1 2 325.434 0.552 40 0 ECABLO Cn1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)c2ccccc21 ZINC000257316910 436870434 /nfs/dbraw/zinc/87/04/34/436870434.db2.gz VHNOFYYGKOTERZ-IAGOWNOFSA-N 1 2 329.400 0.696 40 0 ECABLO Cc1cnn(CC(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257333638 436872579 /nfs/dbraw/zinc/87/25/79/436872579.db2.gz YCKDKVCDDQYUCM-QGZVFWFLSA-N 1 2 329.404 0.734 40 0 ECABLO Cc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257327946 436872861 /nfs/dbraw/zinc/87/28/61/436872861.db2.gz XDMCHOVXVQJLFL-INIZCTEOSA-N 1 2 331.376 0.843 40 0 ECABLO CCc1noc(CCC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257327883 436872871 /nfs/dbraw/zinc/87/28/71/436872871.db2.gz XDDJLYXCNWZTKA-KRWDZBQOSA-N 1 2 345.403 0.717 40 0 ECABLO Cc1ncoc1C(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257341237 436874872 /nfs/dbraw/zinc/87/48/72/436874872.db2.gz ZJMBRODATNHFOK-INIZCTEOSA-N 1 2 331.376 0.795 40 0 ECABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccno3)C2)nc[nH+]1 ZINC000257337567 436875346 /nfs/dbraw/zinc/87/53/46/436875346.db2.gz YTIPMBMROKDMRF-INIZCTEOSA-N 1 2 331.376 0.877 40 0 ECABLO Cc1nc(CN2Cc3c[nH+]cn3[C@H](CNS(C)(=O)=O)C2)cs1 ZINC000306136967 437166550 /nfs/dbraw/zinc/16/65/50/437166550.db2.gz QHUUVPWBDBJPSG-CYBMUJFWSA-N 1 2 341.462 0.754 40 0 ECABLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC1(CS(=O)(=O)C1)[NH2+]2 ZINC000306145601 437168035 /nfs/dbraw/zinc/16/80/35/437168035.db2.gz KCACWOPVDWJPKX-UHFFFAOYSA-N 1 2 346.449 0.543 40 0 ECABLO C[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329064661 437311859 /nfs/dbraw/zinc/31/18/59/437311859.db2.gz XKZPCPITECWTRZ-GXTWGEPZSA-N 1 2 329.404 0.766 40 0 ECABLO CC(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000604381671 439312692 /nfs/dbraw/zinc/31/26/92/439312692.db2.gz KMNXIHPAOXZMGP-MRXNPFEDSA-N 1 2 333.407 0.943 40 0 biogenic,in-vitro ECABLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)ccc1F ZINC000585288175 439641618 /nfs/dbraw/zinc/64/16/18/439641618.db2.gz PRNQCFOAXRHVGL-OAGGEKHMSA-N 1 2 338.379 0.013 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000585096209 439627430 /nfs/dbraw/zinc/62/74/30/439627430.db2.gz ZGMZRIAAEUDBBN-UHOFOFEASA-N 1 2 346.431 0.965 40 0 ECABLO CN(C)C1=N[C@](NCCc2ccccc2)(N(C)C)OC(N(C)C)=[NH+]1 ZINC000019319145 202004246 /nfs/dbraw/zinc/00/42/46/202004246.db2.gz MVLOPAXGOCCYTO-QGZVFWFLSA-N 1 2 332.452 0.857 40 0 ECABLO C[C@H](CNC(=O)c1cn(C)c(=O)c2ccccc12)[NH+]1CCOCC1 ZINC000019657609 202015124 /nfs/dbraw/zinc/01/51/24/202015124.db2.gz MWGXTCGRSZYHCP-CYBMUJFWSA-N 1 2 329.400 0.989 40 0 ECABLO Cn1cc(C[N@@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000077266634 202391267 /nfs/dbraw/zinc/39/12/67/202391267.db2.gz SERMLVRLYQBLCN-MRXNPFEDSA-N 1 2 326.404 0.937 40 0 biogenic,in-vitro ECABLO Cn1cc(C[N@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000077266634 202391269 /nfs/dbraw/zinc/39/12/69/202391269.db2.gz SERMLVRLYQBLCN-MRXNPFEDSA-N 1 2 326.404 0.937 40 0 biogenic,in-vitro ECABLO Cn1cc[nH+]c1CN1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 ZINC000077266617 202391437 /nfs/dbraw/zinc/39/14/37/202391437.db2.gz GOUHGTCMJYMJCN-OAHLLOKOSA-N 1 2 326.404 0.937 40 0 biogenic,in-vitro ECABLO O=C(Cn1cc[nH+]c1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257204312 244130531 /nfs/dbraw/zinc/13/05/31/244130531.db2.gz ATYBODFLJIQNRI-HZPDHXFCSA-N 1 2 340.383 0.522 40 0 ECABLO Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257205649 244132170 /nfs/dbraw/zinc/13/21/70/244132170.db2.gz AZZRARGOBVAEST-SFHVURJKSA-N 1 2 343.431 0.814 40 0 ECABLO CS(=O)(=O)N1CC[N@H+](Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257220875 244185133 /nfs/dbraw/zinc/18/51/33/244185133.db2.gz DMOGDOXBUQOBKL-GFCCVEGCSA-N 1 2 345.852 0.519 40 0 ECABLO CS(=O)(=O)N1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257220875 244185140 /nfs/dbraw/zinc/18/51/40/244185140.db2.gz DMOGDOXBUQOBKL-GFCCVEGCSA-N 1 2 345.852 0.519 40 0 ECABLO CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)cc[nH+]1 ZINC000072369445 203209544 /nfs/dbraw/zinc/20/95/44/203209544.db2.gz UQEGPJAXUDMPRQ-AWEZNQCLSA-N 1 2 344.419 0.638 40 0 ECABLO CNC(=O)[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000257238508 244234527 /nfs/dbraw/zinc/23/45/27/244234527.db2.gz HLHVGVDICYECDZ-INIZCTEOSA-N 1 2 329.360 0.244 40 0 ECABLO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC000072366988 203207411 /nfs/dbraw/zinc/20/74/11/203207411.db2.gz ZRGTTXZGLJTOGU-OAHLLOKOSA-N 1 2 333.436 0.818 40 0 ECABLO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC000072366988 203207414 /nfs/dbraw/zinc/20/74/14/203207414.db2.gz ZRGTTXZGLJTOGU-OAHLLOKOSA-N 1 2 333.436 0.818 40 0 ECABLO O=C(NC[C@]1(O)CC[N@@H+](Cc2nccs2)C[C@H]1O)c1ccccn1 ZINC000257266850 244365182 /nfs/dbraw/zinc/36/51/82/244365182.db2.gz MEVQCRRFTVBBEZ-CZUORRHYSA-N 1 2 348.428 0.266 40 0 ECABLO O=C(NC[C@]1(O)CC[N@H+](Cc2nccs2)C[C@H]1O)c1ccccn1 ZINC000257266850 244365191 /nfs/dbraw/zinc/36/51/91/244365191.db2.gz MEVQCRRFTVBBEZ-CZUORRHYSA-N 1 2 348.428 0.266 40 0 ECABLO CC(C)(C)NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000013564788 278358877 /nfs/dbraw/zinc/35/88/77/278358877.db2.gz KYIWTOKHHCFTGL-UHFFFAOYSA-N 1 2 333.436 0.643 40 0 ECABLO CC(C)(C)NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000013564788 278358880 /nfs/dbraw/zinc/35/88/80/278358880.db2.gz KYIWTOKHHCFTGL-UHFFFAOYSA-N 1 2 333.436 0.643 40 0 ECABLO O=C(c1ccncc1F)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096067095 280221279 /nfs/dbraw/zinc/22/12/79/280221279.db2.gz IREUKVQKCKBPGS-GFCCVEGCSA-N 1 2 341.350 0.981 40 0 ECABLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CCOCC1 ZINC000257219397 295394319 /nfs/dbraw/zinc/39/43/19/295394319.db2.gz DGQIITDBWIXLRX-AWEZNQCLSA-N 1 2 341.433 0.219 40 0 ECABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000096187800 436521536 /nfs/dbraw/zinc/52/15/36/436521536.db2.gz DGWZRFRAPMSBIH-GFCCVEGCSA-N 1 2 339.421 0.474 40 0 ECABLO c1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC000096076694 436510511 /nfs/dbraw/zinc/51/05/11/436510511.db2.gz UIRQFLLAJGBTSW-GOSISDBHSA-N 1 2 341.415 0.979 40 0 ECABLO c1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC000096076694 436510513 /nfs/dbraw/zinc/51/05/13/436510513.db2.gz UIRQFLLAJGBTSW-GOSISDBHSA-N 1 2 341.415 0.979 40 0 ECABLO Cn1cc(C[N@@H+]2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)cn1 ZINC000108531298 436618786 /nfs/dbraw/zinc/61/87/86/436618786.db2.gz OZGKRCGHQIBZOM-GJZGRUSLSA-N 1 2 340.449 0.187 40 0 ECABLO Cn1cc(C[N@H+]2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)cn1 ZINC000108531298 436618789 /nfs/dbraw/zinc/61/87/89/436618789.db2.gz OZGKRCGHQIBZOM-GJZGRUSLSA-N 1 2 340.449 0.187 40 0 ECABLO CC(C)C(=O)Nc1nnc(S(=O)(=O)NC2CC[NH+](C)CC2)s1 ZINC000224134550 436708079 /nfs/dbraw/zinc/70/80/79/436708079.db2.gz GCUXQBHFTREBBE-UHFFFAOYSA-N 1 2 347.466 0.505 40 0 ECABLO CS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000247541060 436795545 /nfs/dbraw/zinc/79/55/45/436795545.db2.gz SGHQVDWMMUHKLT-AWEZNQCLSA-N 1 2 325.434 0.612 40 0 ECABLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1)N1CCOCC1 ZINC000257285615 436862711 /nfs/dbraw/zinc/86/27/11/436862711.db2.gz PHYUUTREIJWYDG-CQSZACIVSA-N 1 2 345.403 0.821 40 0 ECABLO O=C(C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1)N1CCOCC1 ZINC000257285615 436862715 /nfs/dbraw/zinc/86/27/15/436862715.db2.gz PHYUUTREIJWYDG-CQSZACIVSA-N 1 2 345.403 0.821 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000257329092 436871698 /nfs/dbraw/zinc/87/16/98/436871698.db2.gz XIJAYJHQVGMDKN-ZDUSSCGKSA-N 1 2 346.387 0.062 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@H+]1C ZINC000257329092 436871702 /nfs/dbraw/zinc/87/17/02/436871702.db2.gz XIJAYJHQVGMDKN-ZDUSSCGKSA-N 1 2 346.387 0.062 40 0 ECABLO CC(=O)N1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000257325814 436873010 /nfs/dbraw/zinc/87/30/10/436873010.db2.gz WUNYYIQRUZTIEP-KRWDZBQOSA-N 1 2 331.416 0.751 40 0 ECABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000257325814 436873020 /nfs/dbraw/zinc/87/30/20/436873020.db2.gz WUNYYIQRUZTIEP-KRWDZBQOSA-N 1 2 331.416 0.751 40 0 ECABLO Cc1ccccc1S(=O)(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257344261 436877612 /nfs/dbraw/zinc/87/76/12/436877612.db2.gz ZWIYPKYKFUUMOU-INIZCTEOSA-N 1 2 340.445 0.453 40 0 ECABLO NS(=O)(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccco3)C2=O)cc1 ZINC000261527001 436879561 /nfs/dbraw/zinc/87/95/61/436879561.db2.gz UNKZXSGCJNCBOJ-ZDUSSCGKSA-N 1 2 349.368 0.349 40 0 ECABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NC3CC3)C2)n(C)n1 ZINC000306138523 437167081 /nfs/dbraw/zinc/16/70/81/437167081.db2.gz RZQPELXKXSHLAG-CQSZACIVSA-N 1 2 328.420 0.840 40 0 ECABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NC3CC3)C2)n(C)n1 ZINC000306138523 437167083 /nfs/dbraw/zinc/16/70/83/437167083.db2.gz RZQPELXKXSHLAG-CQSZACIVSA-N 1 2 328.420 0.840 40 0 ECABLO CS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000306137486 437168657 /nfs/dbraw/zinc/16/86/57/437168657.db2.gz QXMYFHGHSOSUNM-CABCVRRESA-N 1 2 325.434 0.359 40 0 ECABLO OCCNc1nc(NCCN2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000329042496 437307100 /nfs/dbraw/zinc/30/71/00/437307100.db2.gz SMYDJDAKKAKVEM-UHFFFAOYSA-N 1 2 343.431 0.136 40 0 ECABLO CC(C)CC(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575404258 438747999 /nfs/dbraw/zinc/74/79/99/438747999.db2.gz LDKJFYVLFQWPQG-INIZCTEOSA-N 1 2 349.475 0.957 40 0 ECABLO CC(C)CC(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575404258 438748001 /nfs/dbraw/zinc/74/80/01/438748001.db2.gz LDKJFYVLFQWPQG-INIZCTEOSA-N 1 2 349.475 0.957 40 0 ECABLO CCn1cc(CN2CC3(C2)C[N@H+](CC2CC2)[C@H](C(=O)NC)CO3)cn1 ZINC000585109390 439630841 /nfs/dbraw/zinc/63/08/41/439630841.db2.gz MOSVKZACUXSGKE-INIZCTEOSA-N 1 2 347.463 0.314 40 0 ECABLO CCn1cc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@H](C(=O)NC)CO3)cn1 ZINC000585109390 439630845 /nfs/dbraw/zinc/63/08/45/439630845.db2.gz MOSVKZACUXSGKE-INIZCTEOSA-N 1 2 347.463 0.314 40 0 ECABLO O=C(C1CC(O)C1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000585110549 439631431 /nfs/dbraw/zinc/63/14/31/439631431.db2.gz KGFFJYKSBGFVDC-UHFFFAOYSA-N 1 2 333.436 0.767 40 0 ECABLO O=C(Cc1c[nH+]c[nH]1)N1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585275247 439637662 /nfs/dbraw/zinc/63/76/62/439637662.db2.gz BAWFCWGMXBOZJQ-KRWDZBQOSA-N 1 2 349.362 0.760 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CCOCC2)C1 ZINC000585096208 439627056 /nfs/dbraw/zinc/62/70/56/439627056.db2.gz ZGMZRIAAEUDBBN-KCXAZCMYSA-N 1 2 346.431 0.965 40 0 ECABLO COc1cccc(S(=O)(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)c1 ZINC000585094979 439627989 /nfs/dbraw/zinc/62/79/89/439627989.db2.gz YECIPAONPKURSY-LLVKDONJSA-N 1 2 337.401 0.537 40 0 ECABLO CC(=O)N[C@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)CC[C@@H]1O ZINC000257216114 534668103 /nfs/dbraw/zinc/66/81/03/534668103.db2.gz CTDOWNPFWAHNDJ-HOCLYGCPSA-N 1 2 344.415 0.673 40 0 ECABLO Cn1ccnc1C[NH2+][C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O ZINC000077264449 202392244 /nfs/dbraw/zinc/39/22/44/202392244.db2.gz JZGPKSFRBNDPBQ-FMKPAKJESA-N 1 2 348.378 0.207 40 0 biogenic,in-vitro ECABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@H+](Cc3ccccn3)CCN21 ZINC000253402434 201186105 /nfs/dbraw/zinc/18/61/05/201186105.db2.gz OIKCOHUJTRSCFI-HNNXBMFYSA-N 1 2 338.477 0.622 40 0 biogenic,in-vitro ECABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@@H+](Cc3ccccn3)CCN21 ZINC000253402434 201186107 /nfs/dbraw/zinc/18/61/07/201186107.db2.gz OIKCOHUJTRSCFI-HNNXBMFYSA-N 1 2 338.477 0.622 40 0 biogenic,in-vitro ECABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cnccn3)C2)nc[nH+]1 ZINC000257215634 244165714 /nfs/dbraw/zinc/16/57/14/244165714.db2.gz CQYUNIIFLYWOIF-KRWDZBQOSA-N 1 2 342.403 0.679 40 0 ECABLO Cc1ncc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257223237 244192935 /nfs/dbraw/zinc/19/29/35/244192935.db2.gz DWMJHWRGYQYXDO-KRWDZBQOSA-N 1 2 327.388 0.893 40 0 ECABLO C[NH2+]CC(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000257227872 244207869 /nfs/dbraw/zinc/20/78/69/244207869.db2.gz FRIDOSNGGISYNL-UHFFFAOYSA-N 1 2 327.392 0.936 40 0 ECABLO CC(=O)N1CCCN(c2cc([C@H]3C[N@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387188 203212355 /nfs/dbraw/zinc/21/23/55/203212355.db2.gz YEUITURAPHOYLD-MRXNPFEDSA-N 1 2 333.436 0.847 40 0 ECABLO CC(=O)N1CCCN(c2cc([C@H]3C[N@@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387188 203212357 /nfs/dbraw/zinc/21/23/57/203212357.db2.gz YEUITURAPHOYLD-MRXNPFEDSA-N 1 2 333.436 0.847 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)nc3)C2)nc[nH+]1 ZINC000257249133 244266651 /nfs/dbraw/zinc/26/66/51/244266651.db2.gz JGXWQHIIDRNISK-QGZVFWFLSA-N 1 2 342.403 0.593 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)nc3)C2)[nH+]cn1 ZINC000257249133 244266656 /nfs/dbraw/zinc/26/66/56/244266656.db2.gz JGXWQHIIDRNISK-QGZVFWFLSA-N 1 2 342.403 0.593 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ncccn1 ZINC000257251439 244271161 /nfs/dbraw/zinc/27/11/61/244271161.db2.gz JQTJUXDJRKPFRM-QGZVFWFLSA-N 1 2 327.388 0.975 40 0 ECABLO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257258047 244286636 /nfs/dbraw/zinc/28/66/36/244286636.db2.gz KSEPMSWDUDVIDC-NCOADZHNSA-N 1 2 338.379 0.543 40 0 ECABLO Cn1nccc1CCC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257265355 244358384 /nfs/dbraw/zinc/35/83/84/244358384.db2.gz LYIICHPABCZXPP-KRWDZBQOSA-N 1 2 329.404 0.505 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cn1cc[nH+]c1 ZINC000257293458 244442066 /nfs/dbraw/zinc/44/20/66/244442066.db2.gz QPMYIQYQKWWISA-INIZCTEOSA-N 1 2 330.392 0.163 40 0 ECABLO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000102241973 204035115 /nfs/dbraw/zinc/03/51/15/204035115.db2.gz CFMHBUFIVUIMGK-ZDUSSCGKSA-N 1 2 337.326 0.794 40 0 ECABLO C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 ZINC000306131115 257919898 /nfs/dbraw/zinc/91/98/98/257919898.db2.gz JXBZLYRBPQRZSQ-ZIAGYGMSSA-N 1 2 346.412 0.743 40 0 ECABLO C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 ZINC000306131115 257919899 /nfs/dbraw/zinc/91/98/99/257919899.db2.gz JXBZLYRBPQRZSQ-ZIAGYGMSSA-N 1 2 346.412 0.743 40 0 ECABLO Cc1ccc(C(=O)N2CC[C@]3(C2)CNC(=O)C[N@@H+]3CC2CC2)cn1 ZINC000096238273 292064504 /nfs/dbraw/zinc/06/45/04/292064504.db2.gz VDILKJQZLPIKNG-GOSISDBHSA-N 1 2 328.416 0.817 40 0 ECABLO Cc1ccc(C(=O)N2CC[C@]3(C2)CNC(=O)C[N@H+]3CC2CC2)cn1 ZINC000096238273 292064506 /nfs/dbraw/zinc/06/45/06/292064506.db2.gz VDILKJQZLPIKNG-GOSISDBHSA-N 1 2 328.416 0.817 40 0 ECABLO Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@H+](Cc3cccc(C(=O)[O-])c3)C1)O2 ZINC000257219495 295369908 /nfs/dbraw/zinc/36/99/08/295369908.db2.gz DGZBMKYYERTYKJ-QGZVFWFLSA-N 1 2 341.371 0.919 40 0 ECABLO Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C1)O2 ZINC000257219495 295369911 /nfs/dbraw/zinc/36/99/11/295369911.db2.gz DGZBMKYYERTYKJ-QGZVFWFLSA-N 1 2 341.371 0.919 40 0 ECABLO CC(=O)N1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2Cc2nnsc23)CC1 ZINC000012219431 436046702 /nfs/dbraw/zinc/04/67/02/436046702.db2.gz AFHJWTHSJFVJEB-WCQYABFASA-N 1 2 335.433 0.290 40 0 ECABLO CC(=O)N1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2Cc2nnsc23)CC1 ZINC000012219431 436046706 /nfs/dbraw/zinc/04/67/06/436046706.db2.gz AFHJWTHSJFVJEB-WCQYABFASA-N 1 2 335.433 0.290 40 0 ECABLO O=C(c1ccc[nH]1)N1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160303 436517550 /nfs/dbraw/zinc/51/75/50/436517550.db2.gz QDXPSVZVYULIMF-MAUKXSAKSA-N 1 2 349.431 0.737 40 0 ECABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057113 436507250 /nfs/dbraw/zinc/50/72/50/436507250.db2.gz NNQBPCVCBBWBCQ-LOWVWBTDSA-N 1 2 331.463 0.672 40 0 ECABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057113 436507253 /nfs/dbraw/zinc/50/72/53/436507253.db2.gz NNQBPCVCBBWBCQ-LOWVWBTDSA-N 1 2 331.463 0.672 40 0 ECABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](C2CCOCC2)Cc2cncn21 ZINC000247522364 436796269 /nfs/dbraw/zinc/79/62/69/436796269.db2.gz LYKFMJWXMUVZSC-ZDUSSCGKSA-N 1 2 328.438 0.358 40 0 ECABLO CS(=O)(=O)NCC[C@H]1C[N@H+](C2CCOCC2)Cc2cncn21 ZINC000247522364 436796272 /nfs/dbraw/zinc/79/62/72/436796272.db2.gz LYKFMJWXMUVZSC-ZDUSSCGKSA-N 1 2 328.438 0.358 40 0 ECABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3)n2N)CC1 ZINC000253576246 436847177 /nfs/dbraw/zinc/84/71/77/436847177.db2.gz VOTAKYVSZLZIKT-UHFFFAOYSA-N 1 2 332.433 0.525 40 0 ECABLO Cc1nonc1CC(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257280867 436861039 /nfs/dbraw/zinc/86/10/39/436861039.db2.gz OMTDUTPJTZDFBK-MRXNPFEDSA-N 1 2 346.391 0.119 40 0 ECABLO CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257301543 436866942 /nfs/dbraw/zinc/86/69/42/436866942.db2.gz RYXGINBMTWDOHM-INIZCTEOSA-N 1 2 330.392 0.163 40 0 ECABLO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000257318601 436870775 /nfs/dbraw/zinc/87/07/75/436870775.db2.gz VORDAFIGJCGDKU-GFCCVEGCSA-N 1 2 345.403 0.497 40 0 ECABLO Cc1cnn(CC(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257333637 436871942 /nfs/dbraw/zinc/87/19/42/436871942.db2.gz YCKDKVCDDQYUCM-KRWDZBQOSA-N 1 2 329.404 0.734 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[N@@H+]1C(C)C ZINC000257220513 536398075 /nfs/dbraw/zinc/39/80/75/536398075.db2.gz DLBVMPADRGBREE-CQSZACIVSA-N 1 2 333.436 0.569 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[N@H+]1C(C)C ZINC000257220513 536398079 /nfs/dbraw/zinc/39/80/79/536398079.db2.gz DLBVMPADRGBREE-CQSZACIVSA-N 1 2 333.436 0.569 40 0 ECABLO COCCN1C(=O)CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000257207557 244138772 /nfs/dbraw/zinc/13/87/72/244138772.db2.gz BIHKRXLEUYOGEE-LSDHHAIUSA-N 1 2 334.420 0.759 40 0 ECABLO C[C@@]1(O)C[N@H+](Cc2ncc[nH]2)CC[C@H]1n1cnc2c1ncnc2N ZINC000257210352 244146581 /nfs/dbraw/zinc/14/65/81/244146581.db2.gz BUGJAPQLWSAKJG-MEBBXXQBSA-N 1 2 328.380 0.330 40 0 ECABLO C[C@@]1(O)C[N@@H+](Cc2ncc[nH]2)CC[C@H]1n1cnc2c1ncnc2N ZINC000257210352 244146586 /nfs/dbraw/zinc/14/65/86/244146586.db2.gz BUGJAPQLWSAKJG-MEBBXXQBSA-N 1 2 328.380 0.330 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCN(c2cnccn2)C1 ZINC000257224374 244194379 /nfs/dbraw/zinc/19/43/79/244194379.db2.gz FBOJKFHHLPOXOX-MRXNPFEDSA-N 1 2 330.392 0.211 40 0 ECABLO CCCn1cc(C[N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)cn1 ZINC000257233619 244220088 /nfs/dbraw/zinc/22/00/88/244220088.db2.gz GPZYOQAWIINGCW-IRXDYDNUSA-N 1 2 348.447 0.884 40 0 ECABLO CCCn1cc(C[N@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)cn1 ZINC000257233619 244220095 /nfs/dbraw/zinc/22/00/95/244220095.db2.gz GPZYOQAWIINGCW-IRXDYDNUSA-N 1 2 348.447 0.884 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N2CCC(C)(c3n[nH]cc3C)CC2)C1 ZINC000072388939 203213866 /nfs/dbraw/zinc/21/38/66/203213866.db2.gz OFRPCRZDDXXGGG-HNNXBMFYSA-N 1 2 347.463 0.761 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@H](C(=O)N2CCC(C)(c3n[nH]cc3C)CC2)C1 ZINC000072388939 203213869 /nfs/dbraw/zinc/21/38/69/203213869.db2.gz OFRPCRZDDXXGGG-HNNXBMFYSA-N 1 2 347.463 0.761 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257256189 244282184 /nfs/dbraw/zinc/28/21/84/244282184.db2.gz KKKFNTXHFVYDFF-QGZVFWFLSA-N 1 2 344.419 0.553 40 0 ECABLO O=C(CCn1cc[nH+]c1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257256966 244284519 /nfs/dbraw/zinc/28/45/19/244284519.db2.gz KNOQKPNQPMGDGQ-QGZVFWFLSA-N 1 2 347.394 0.955 40 0 ECABLO CC(C)C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254930 278686039 /nfs/dbraw/zinc/68/60/39/278686039.db2.gz DWPDMSRIRAVRFZ-UHFFFAOYSA-N 1 2 347.463 0.962 40 0 ECABLO COCC(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045009 436505626 /nfs/dbraw/zinc/50/56/26/436505626.db2.gz AHDBDPVQJXMXIO-CQSZACIVSA-N 1 2 337.420 0.936 40 0 ECABLO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4nccs4)C3)N(C)CC2=O)cn1 ZINC000096050347 436507005 /nfs/dbraw/zinc/50/70/05/436507005.db2.gz BTVWDKFTDYXYJF-INIZCTEOSA-N 1 2 346.460 0.800 40 0 ECABLO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4nccs4)C3)N(C)CC2=O)cn1 ZINC000096050347 436507007 /nfs/dbraw/zinc/50/70/07/436507007.db2.gz BTVWDKFTDYXYJF-INIZCTEOSA-N 1 2 346.460 0.800 40 0 ECABLO c1cnc(N2CCO[C@H]3[C@H](OCC[NH+]4CCOCC4)CC[C@@H]32)nc1 ZINC000096065799 436507790 /nfs/dbraw/zinc/50/77/90/436507790.db2.gz UXMCWXZWKKAWBU-ARFHVFGLSA-N 1 2 334.420 0.562 40 0 ECABLO Cc1ccc(NCc2c[nH+]c3n2CCN(S(C)(=O)=O)CC3)nn1 ZINC000096067943 436510774 /nfs/dbraw/zinc/51/07/74/436510774.db2.gz WQTPOYRUICKZNF-UHFFFAOYSA-N 1 2 336.421 0.411 40 0 ECABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1ccn[nH]1 ZINC000257341536 436874489 /nfs/dbraw/zinc/87/44/89/436874489.db2.gz ZKTIEDBTPWECOY-ZIAGYGMSSA-N 1 2 344.371 0.156 40 0 ECABLO O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1ccn[nH]1 ZINC000257341536 436874495 /nfs/dbraw/zinc/87/44/95/436874495.db2.gz ZKTIEDBTPWECOY-ZIAGYGMSSA-N 1 2 344.371 0.156 40 0 ECABLO Cc1nonc1CC(=O)NC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257278736 436861843 /nfs/dbraw/zinc/86/18/43/436861843.db2.gz ODLKAOWCIIQEBE-MRXNPFEDSA-N 1 2 346.391 0.167 40 0 ECABLO COc1cccc(CC(=O)N2C[C@@H](O)[C@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000257291611 436864403 /nfs/dbraw/zinc/86/44/03/436864403.db2.gz QHVXZSDKQFBCNU-IAGOWNOFSA-N 1 2 333.432 0.057 40 0 ECABLO CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)Cn1cc[nH+]c1 ZINC000257310659 436867445 /nfs/dbraw/zinc/86/74/45/436867445.db2.gz UFZUHVFBNQFKOD-OAHLLOKOSA-N 1 2 342.403 0.981 40 0 ECABLO Cc1cn([C@@H]2C[N@H+](Cc3ccnn3C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257318350 436869824 /nfs/dbraw/zinc/86/98/24/436869824.db2.gz VNNLRLFFNSVBPV-CZUORRHYSA-N 1 2 333.392 0.189 40 0 ECABLO Cc1cn([C@@H]2C[N@@H+](Cc3ccnn3C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257318350 436869829 /nfs/dbraw/zinc/86/98/29/436869829.db2.gz VNNLRLFFNSVBPV-CZUORRHYSA-N 1 2 333.392 0.189 40 0 ECABLO O=C(CN1CCCCCC1=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257316093 436871200 /nfs/dbraw/zinc/87/12/00/436871200.db2.gz VEBYYQBTUXLYKV-GOSISDBHSA-N 1 2 346.431 0.542 40 0 ECABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@@H](CNS(C)(=O)=O)C1 ZINC000306142938 437167440 /nfs/dbraw/zinc/16/74/40/437167440.db2.gz XOTADQVBKWDIPL-ZDUSSCGKSA-N 1 2 339.421 0.594 40 0 ECABLO CCNc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 ZINC000329014737 437304114 /nfs/dbraw/zinc/30/41/14/437304114.db2.gz MWXXVLCYLOMCDD-UHFFFAOYSA-N 1 2 328.420 0.558 40 0 ECABLO CNC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1C ZINC000408604224 438583270 /nfs/dbraw/zinc/58/32/70/438583270.db2.gz LMCQNFYVJHFFSH-UHFFFAOYSA-N 1 2 336.417 0.920 40 0 ECABLO Cn1ccc(NC(=O)C[N@@H+]2CC[C@](O)(COc3ccccc3)C2)n1 ZINC000585276961 439636687 /nfs/dbraw/zinc/63/66/87/439636687.db2.gz QHSGUBZEKLYGFE-QGZVFWFLSA-N 1 2 330.388 0.874 40 0 ECABLO Cn1ccc(NC(=O)C[N@H+]2CC[C@](O)(COc3ccccc3)C2)n1 ZINC000585276961 439636690 /nfs/dbraw/zinc/63/66/90/439636690.db2.gz QHSGUBZEKLYGFE-QGZVFWFLSA-N 1 2 330.388 0.874 40 0 ECABLO CN(C)C(=O)C[C@@]1(O)COCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000585278875 439638525 /nfs/dbraw/zinc/63/85/25/439638525.db2.gz IAKSECAPSANJFA-HNNXBMFYSA-N 1 2 327.812 0.777 40 0 ECABLO CN(C)C(=O)C[C@@]1(O)COCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000585278875 439638528 /nfs/dbraw/zinc/63/85/28/439638528.db2.gz IAKSECAPSANJFA-HNNXBMFYSA-N 1 2 327.812 0.777 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](CO)N(S(=O)(=O)c1ccccc1F)C2 ZINC000585094711 439627171 /nfs/dbraw/zinc/62/71/71/439627171.db2.gz ISAWIGCPHIAFMO-JTQLQIEISA-N 1 2 325.365 0.667 40 0 ECABLO O=C(CCc1nc(-c2cccnc2)no1)NCC[NH+]1CCOCC1 ZINC000073572546 216397071 /nfs/dbraw/zinc/39/70/71/216397071.db2.gz BPHJGWIXLFYGCB-UHFFFAOYSA-N 1 2 331.376 0.513 40 0 ECABLO Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000257200056 244116476 /nfs/dbraw/zinc/11/64/76/244116476.db2.gz ABVYEJNVIIHDSD-YUELXQCFSA-N 1 2 335.360 0.398 40 0 ECABLO Cc1c[nH]c([C@@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257214098 244161422 /nfs/dbraw/zinc/16/14/22/244161422.db2.gz CKMSPNKVPGQEGQ-ZDUSSCGKSA-N 1 2 328.438 0.515 40 0 ECABLO Cc1c[nH]c([C@@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257214098 244161426 /nfs/dbraw/zinc/16/14/26/244161426.db2.gz CKMSPNKVPGQEGQ-ZDUSSCGKSA-N 1 2 328.438 0.515 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2O)CC1 ZINC000257231290 244213653 /nfs/dbraw/zinc/21/36/53/244213653.db2.gz GGAWTOGWTNOWAO-HZPDHXFCSA-N 1 2 335.379 0.175 40 0 ECABLO Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257254739 244278180 /nfs/dbraw/zinc/27/81/80/244278180.db2.gz KELROGQKJNQTRC-YRGRVCCFSA-N 1 2 337.445 0.500 40 0 ECABLO Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257254739 244278188 /nfs/dbraw/zinc/27/81/88/244278188.db2.gz KELROGQKJNQTRC-YRGRVCCFSA-N 1 2 337.445 0.500 40 0 ECABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccoc3)C2)C1=O ZINC000225384669 275976195 /nfs/dbraw/zinc/97/61/95/275976195.db2.gz VPNNFHDLSDBSNO-CABCVRRESA-N 1 2 347.415 0.438 40 0 biogenic,in-vitro ECABLO Cc1cc(N2CCOCC2)nc(SCC(=O)NC[C@H](C)O)[nH+]1 ZINC000005537630 435989118 /nfs/dbraw/zinc/98/91/18/435989118.db2.gz ONSWSABFJBOHTN-NSHDSACASA-N 1 2 326.422 0.211 40 0 ECABLO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000019581208 436109528 /nfs/dbraw/zinc/10/95/28/436109528.db2.gz LHQSSMLMHFLTCL-SWLSCSKDSA-N 1 2 331.420 0.463 40 0 ECABLO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000019581208 436109533 /nfs/dbraw/zinc/10/95/33/436109533.db2.gz LHQSSMLMHFLTCL-SWLSCSKDSA-N 1 2 331.420 0.463 40 0 ECABLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085467021 436389813 /nfs/dbraw/zinc/38/98/13/436389813.db2.gz CICCIRRESDNSOM-ZDUSSCGKSA-N 1 2 329.422 0.369 40 0 ECABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(S(C)(=O)=O)C3)o1 ZINC000096049870 436506394 /nfs/dbraw/zinc/50/63/94/436506394.db2.gz KUVXOHATBSHUPZ-OAHLLOKOSA-N 1 2 344.433 0.451 40 0 ECABLO Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(S(C)(=O)=O)C3)o1 ZINC000096049870 436506399 /nfs/dbraw/zinc/50/63/99/436506399.db2.gz KUVXOHATBSHUPZ-OAHLLOKOSA-N 1 2 344.433 0.451 40 0 ECABLO Cn1cc(C[N@@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)cn1 ZINC000096051397 436507128 /nfs/dbraw/zinc/50/71/28/436507128.db2.gz BIUICZOZMAHZGX-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1cc(C[N@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)cn1 ZINC000096051397 436507129 /nfs/dbraw/zinc/50/71/29/436507129.db2.gz BIUICZOZMAHZGX-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2cccnc2)C3)CC1 ZINC000096066661 436508973 /nfs/dbraw/zinc/50/89/73/436508973.db2.gz ROORGHWHVXASDB-UHFFFAOYSA-N 1 2 340.431 0.751 40 0 ECABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(S(C)(=O)=O)C3)cs1 ZINC000096202119 436523848 /nfs/dbraw/zinc/52/38/48/436523848.db2.gz NRZKSJWRXYKWIP-CQSZACIVSA-N 1 2 345.490 0.935 40 0 ECABLO Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(S(C)(=O)=O)C3)cs1 ZINC000096202119 436523854 /nfs/dbraw/zinc/52/38/54/436523854.db2.gz NRZKSJWRXYKWIP-CQSZACIVSA-N 1 2 345.490 0.935 40 0 ECABLO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)N1CCOCC1 ZINC000096216962 436524909 /nfs/dbraw/zinc/52/49/09/436524909.db2.gz FROCIPXWXOWLQH-BFHYXJOUSA-N 1 2 337.445 0.981 40 0 ECABLO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCOCC1 ZINC000096216962 436524913 /nfs/dbraw/zinc/52/49/13/436524913.db2.gz FROCIPXWXOWLQH-BFHYXJOUSA-N 1 2 337.445 0.981 40 0 ECABLO CS(=O)(=O)N1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240470 436527377 /nfs/dbraw/zinc/52/73/77/436527377.db2.gz DYEFBYWUAZSOQZ-UKRRQHHQSA-N 1 2 341.433 0.561 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cccn3C)C2)C[N@@H+]1CC1CC1 ZINC000248145482 436800714 /nfs/dbraw/zinc/80/07/14/436800714.db2.gz RQHQASVHYQMVDU-OAHLLOKOSA-N 1 2 346.431 0.077 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cccn3C)C2)C[N@H+]1CC1CC1 ZINC000248145482 436800718 /nfs/dbraw/zinc/80/07/18/436800718.db2.gz RQHQASVHYQMVDU-OAHLLOKOSA-N 1 2 346.431 0.077 40 0 ECABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)cc[nH+]1 ZINC000257280548 436860923 /nfs/dbraw/zinc/86/09/23/436860923.db2.gz OLIOXKHUSIMMJF-CYBMUJFWSA-N 1 2 345.403 0.405 40 0 ECABLO Cc1nonc1CC(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257278735 436860969 /nfs/dbraw/zinc/86/09/69/436860969.db2.gz ODLKAOWCIIQEBE-INIZCTEOSA-N 1 2 346.391 0.167 40 0 ECABLO Cc1ccnn1CCC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257298429 436865775 /nfs/dbraw/zinc/86/57/75/436865775.db2.gz RLOJMASWHFYJMJ-KRWDZBQOSA-N 1 2 329.404 0.734 40 0 ECABLO Cc1ccc2nc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)cn2c1 ZINC000257304404 436866225 /nfs/dbraw/zinc/86/62/25/436866225.db2.gz SLMMIOQSXLWUGN-HUUCEWRRSA-N 1 2 330.388 0.160 40 0 ECABLO CN(C(=O)Cn1cccnc1=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257336788 436875104 /nfs/dbraw/zinc/87/51/04/436875104.db2.gz YQAWHSCWECRYHB-CQSZACIVSA-N 1 2 327.388 0.766 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccno3)C2)nc[nH+]1 ZINC000257337568 436875174 /nfs/dbraw/zinc/87/51/74/436875174.db2.gz YTIPMBMROKDMRF-MRXNPFEDSA-N 1 2 331.376 0.877 40 0 ECABLO Cc1n[nH]c(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1C ZINC000333988137 437291785 /nfs/dbraw/zinc/29/17/85/437291785.db2.gz HXVQSQAAOKXQSK-UHFFFAOYSA-N 1 2 335.452 0.553 40 0 ECABLO CC[NH+]1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288469 438812002 /nfs/dbraw/zinc/81/20/02/438812002.db2.gz AYMZWGUVIZEEMO-IAGOWNOFSA-N 1 2 329.444 0.581 40 0 biogenic,in-vitro ECABLO Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)cc1 ZINC000585178732 439634952 /nfs/dbraw/zinc/63/49/52/439634952.db2.gz VJHMDPKROXFQGS-MRXNPFEDSA-N 1 2 340.445 0.453 40 0 ECABLO CO[C@@H]1COC[C@@H]([N@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1O ZINC000585287888 439640258 /nfs/dbraw/zinc/64/02/58/439640258.db2.gz GRAJWUZAUCADTQ-MTNOOBJLSA-N 1 2 348.443 0.887 40 0 ECABLO CO[C@@H]1COC[C@@H]([N@@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1O ZINC000585287888 439640262 /nfs/dbraw/zinc/64/02/62/439640262.db2.gz GRAJWUZAUCADTQ-MTNOOBJLSA-N 1 2 348.443 0.887 40 0 ECABLO CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000585292073 439641296 /nfs/dbraw/zinc/64/12/96/439641296.db2.gz WRJOEFHGMPICNR-AXTNZVBRSA-N 1 2 334.420 0.294 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCC(=O)N(C)C)[nH]n1 ZINC000585094627 439628010 /nfs/dbraw/zinc/62/80/10/439628010.db2.gz FZSKMDNNVBLHHB-AWEZNQCLSA-N 1 2 346.435 0.483 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCC(=O)N(C)C)n[nH]1 ZINC000585094627 439628015 /nfs/dbraw/zinc/62/80/15/439628015.db2.gz FZSKMDNNVBLHHB-AWEZNQCLSA-N 1 2 346.435 0.483 40 0 ECABLO CC(C)(C)OC(=O)N1CC[C@H](n2cc(C(=[NH2+])NO)c(=O)[nH]c2=O)C1 ZINC000409442695 568415353 /nfs/dbraw/zinc/41/53/53/568415353.db2.gz ZHHAFSNTZFQGDO-QMMMGPOBSA-N 1 2 339.352 0.435 40 0 ECABLO O=S1(=O)CC[C@H](Nc2ccc([NH2+][C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000040177518 213279692 /nfs/dbraw/zinc/27/96/92/213279692.db2.gz RLGDMQXDSGLJTQ-KBPBESRZSA-N 1 2 344.458 0.885 40 0 ECABLO CC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NC)sc2C)CC1 ZINC000035784223 213049530 /nfs/dbraw/zinc/04/95/30/213049530.db2.gz ACAIBDKIMWEABF-UHFFFAOYSA-N 1 2 331.463 0.742 40 0 ECABLO O=C(C1C[NH+](Cc2ccnc(N3CCCC3)n2)C1)N1CCOCC1 ZINC000072344548 216159533 /nfs/dbraw/zinc/15/95/33/216159533.db2.gz QTAXRUOWBBIPHL-UHFFFAOYSA-N 1 2 331.420 0.367 40 0 ECABLO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257211529 244153711 /nfs/dbraw/zinc/15/37/11/244153711.db2.gz BZFOOYFBRUEEEM-MMYPDIHESA-N 1 2 343.427 0.482 40 0 ECABLO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257211529 244153723 /nfs/dbraw/zinc/15/37/23/244153723.db2.gz BZFOOYFBRUEEEM-MMYPDIHESA-N 1 2 343.427 0.482 40 0 ECABLO C[N@H+](CC(=O)N1CCO[C@H](c2nccnc2N)C1)Cc1cccnc1 ZINC000257215777 244168207 /nfs/dbraw/zinc/16/82/07/244168207.db2.gz CRPGMLKPQGRZCQ-AWEZNQCLSA-N 1 2 342.403 0.486 40 0 ECABLO C[N@@H+](CC(=O)N1CCO[C@H](c2nccnc2N)C1)Cc1cccnc1 ZINC000257215777 244168213 /nfs/dbraw/zinc/16/82/13/244168213.db2.gz CRPGMLKPQGRZCQ-AWEZNQCLSA-N 1 2 342.403 0.486 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257242338 244248077 /nfs/dbraw/zinc/24/80/77/244248077.db2.gz IBZHPRVRXVNAKN-QGZVFWFLSA-N 1 2 344.419 0.601 40 0 ECABLO CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000257237962 244236712 /nfs/dbraw/zinc/23/67/12/244236712.db2.gz HIZZHCQTRUEKCP-LLVKDONJSA-N 1 2 326.422 0.129 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccnnc1 ZINC000257270041 244372535 /nfs/dbraw/zinc/37/25/35/244372535.db2.gz MSNRTIPELJRIKU-QGZVFWFLSA-N 1 2 327.388 0.975 40 0 ECABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)[nH+]1 ZINC000257270707 244375551 /nfs/dbraw/zinc/37/55/51/244375551.db2.gz MVIXOBWUZDDMOV-AWEZNQCLSA-N 1 2 329.404 1.000 40 0 ECABLO Cc1cc(C)n(CC(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257274119 244387146 /nfs/dbraw/zinc/38/71/46/244387146.db2.gz NJQJWGGYALQNOM-QGZVFWFLSA-N 1 2 344.419 0.356 40 0 ECABLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cc1 ZINC000257323607 244526124 /nfs/dbraw/zinc/52/61/24/244526124.db2.gz WLBJOBHYNKIHOJ-BZUAXINKSA-N 1 2 340.445 0.497 40 0 ECABLO O=C(N1CCCC1)N1Cc2[nH+]ccn2C[C@H](Cn2ncccc2=O)C1 ZINC000096188755 436521887 /nfs/dbraw/zinc/52/18/87/436521887.db2.gz XBBPYMSHELGZLH-AWEZNQCLSA-N 1 2 342.403 0.788 40 0 ECABLO COc1ccc([C@@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)cc1OC ZINC000095533843 436500586 /nfs/dbraw/zinc/50/05/86/436500586.db2.gz JJRWENQZNPPCLS-MRXNPFEDSA-N 1 2 347.419 0.745 40 0 ECABLO CC(C)[N@H+](C)Cc1nnc2n1CCN(S(=O)(=O)C1CC1)CC2 ZINC000096058962 436508962 /nfs/dbraw/zinc/50/89/62/436508962.db2.gz FNCJXWCDHDTMDD-UHFFFAOYSA-N 1 2 327.454 0.469 40 0 ECABLO CC(C)[N@@H+](C)Cc1nnc2n1CCN(S(=O)(=O)C1CC1)CC2 ZINC000096058962 436508964 /nfs/dbraw/zinc/50/89/64/436508964.db2.gz FNCJXWCDHDTMDD-UHFFFAOYSA-N 1 2 327.454 0.469 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)no1 ZINC000096209000 436523452 /nfs/dbraw/zinc/52/34/52/436523452.db2.gz ANTRRSNGIPUBAH-GXTWGEPZSA-N 1 2 329.422 0.656 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)no1 ZINC000096209000 436523454 /nfs/dbraw/zinc/52/34/54/436523454.db2.gz ANTRRSNGIPUBAH-GXTWGEPZSA-N 1 2 329.422 0.656 40 0 ECABLO CC(C)COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CS(C)(=O)=O)C1 ZINC000096209688 436525206 /nfs/dbraw/zinc/52/52/06/436525206.db2.gz DACBWKZMDSHBBU-ZDUSSCGKSA-N 1 2 343.449 0.559 40 0 ECABLO CO[C@@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096217954 436525227 /nfs/dbraw/zinc/52/52/27/436525227.db2.gz WUTMZPNSVCQMEX-BFHYXJOUSA-N 1 2 345.490 0.932 40 0 ECABLO CO[C@@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096217954 436525230 /nfs/dbraw/zinc/52/52/30/436525230.db2.gz WUTMZPNSVCQMEX-BFHYXJOUSA-N 1 2 345.490 0.932 40 0 ECABLO Cn1cc(N2C[C@]3(CC[N@H+](Cc4nccn4C)C3)N(C)CC2=O)cn1 ZINC000096230527 436527226 /nfs/dbraw/zinc/52/72/26/436527226.db2.gz OMELJWDMEJZNKG-QGZVFWFLSA-N 1 2 343.435 0.077 40 0 ECABLO Cn1cc(N2C[C@]3(CC[N@@H+](Cc4nccn4C)C3)N(C)CC2=O)cn1 ZINC000096230527 436527228 /nfs/dbraw/zinc/52/72/28/436527228.db2.gz OMELJWDMEJZNKG-QGZVFWFLSA-N 1 2 343.435 0.077 40 0 ECABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420259 436547372 /nfs/dbraw/zinc/54/73/72/436547372.db2.gz PUWNMBHSJKJIDM-MOROJQBDSA-N 1 2 346.383 0.979 40 0 ECABLO COc1cc(N2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CC3)C2)ncn1 ZINC000247876743 436798053 /nfs/dbraw/zinc/79/80/53/436798053.db2.gz HHFSUPGHQLKVOB-CYBMUJFWSA-N 1 2 328.376 0.769 40 0 ECABLO CN1CC[NH+]([C@@H]2CN(C(=O)/C=C/c3ccccc3F)C[C@H]2O)CC1 ZINC000257294696 436863283 /nfs/dbraw/zinc/86/32/83/436863283.db2.gz QVHRBEPQMHFMSK-KGVXHEBISA-N 1 2 333.407 0.658 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2c[nH+]cn21 ZINC000306129056 437163814 /nfs/dbraw/zinc/16/38/14/437163814.db2.gz HSTWYKLRVYLHRW-AWEZNQCLSA-N 1 2 346.362 0.903 40 0 ECABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000306139110 437168302 /nfs/dbraw/zinc/16/83/02/437168302.db2.gz SPTNMHUBMPGNHX-CQSZACIVSA-N 1 2 346.435 0.320 40 0 ECABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306139110 437168305 /nfs/dbraw/zinc/16/83/05/437168305.db2.gz SPTNMHUBMPGNHX-CQSZACIVSA-N 1 2 346.435 0.320 40 0 ECABLO COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306142286 437168477 /nfs/dbraw/zinc/16/84/77/437168477.db2.gz WVMAOUXZAMTSNT-KBXCAEBGSA-N 1 2 346.431 0.621 40 0 ECABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)CC1 ZINC000408601362 438582466 /nfs/dbraw/zinc/58/24/66/438582466.db2.gz FZJNCEOTXGNEJW-UHFFFAOYSA-N 1 2 325.434 0.681 40 0 ECABLO O=C(N1CCc2[nH+]cc(CN3CCOCC3)n2CC1)C1(F)CCC1 ZINC000585110634 439630758 /nfs/dbraw/zinc/63/07/58/439630758.db2.gz QCIOTKYBASZDBA-UHFFFAOYSA-N 1 2 336.411 0.992 40 0 ECABLO COCCNC(=O)[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000585110835 439631268 /nfs/dbraw/zinc/63/12/68/439631268.db2.gz MFVPKKXXCWHFPS-CYBMUJFWSA-N 1 2 332.408 0.016 40 0 ECABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000585110835 439631271 /nfs/dbraw/zinc/63/12/71/439631271.db2.gz MFVPKKXXCWHFPS-CYBMUJFWSA-N 1 2 332.408 0.016 40 0 ECABLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276811 439636622 /nfs/dbraw/zinc/63/66/22/439636622.db2.gz QQNRQABFYPRTEF-KRWDZBQOSA-N 1 2 333.363 0.924 40 0 ECABLO Cc1cccc(OC[C@]2(O)CC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000585276178 439637380 /nfs/dbraw/zinc/63/73/80/439637380.db2.gz KROZANNQXHYERN-SFHVURJKSA-N 1 2 344.415 1.183 40 0 ECABLO Cc1cccc(OC[C@]2(O)CC[N@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000585276178 439637385 /nfs/dbraw/zinc/63/73/85/439637385.db2.gz KROZANNQXHYERN-SFHVURJKSA-N 1 2 344.415 1.183 40 0 ECABLO Cc1nonc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585276897 439637681 /nfs/dbraw/zinc/63/76/81/439637681.db2.gz PTORIAKBFKCUCZ-CABCVRRESA-N 1 2 330.388 1.242 40 0 ECABLO Cc1nonc1NC(=O)C[N@H+]1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585276897 439637683 /nfs/dbraw/zinc/63/76/83/439637683.db2.gz PTORIAKBFKCUCZ-CABCVRRESA-N 1 2 330.388 1.242 40 0 ECABLO COCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096138 439627981 /nfs/dbraw/zinc/62/79/81/439627981.db2.gz UKANSJDIMSERCA-AWEZNQCLSA-N 1 2 348.428 0.833 40 0 ECABLO CC(=O)N1CC[NH2+][C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000072367419 216174590 /nfs/dbraw/zinc/17/45/90/216174590.db2.gz KMSIRBZRYODNPP-QGZVFWFLSA-N 1 2 330.432 0.683 40 0 ECABLO CNC(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000257238509 244235042 /nfs/dbraw/zinc/23/50/42/244235042.db2.gz HLHVGVDICYECDZ-MRXNPFEDSA-N 1 2 329.360 0.244 40 0 ECABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C)nc3)C2)nc[nH+]1 ZINC000257249132 244266729 /nfs/dbraw/zinc/26/67/29/244266729.db2.gz JGXWQHIIDRNISK-KRWDZBQOSA-N 1 2 342.403 0.593 40 0 ECABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C)nc3)C2)[nH+]cn1 ZINC000257249132 244266735 /nfs/dbraw/zinc/26/67/35/244266735.db2.gz JGXWQHIIDRNISK-KRWDZBQOSA-N 1 2 342.403 0.593 40 0 ECABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000257259032 244290441 /nfs/dbraw/zinc/29/04/41/244290441.db2.gz KWNSGEWIGMLAJX-JSGCOSHPSA-N 1 2 328.372 0.301 40 0 ECABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019502007 212034659 /nfs/dbraw/zinc/03/46/59/212034659.db2.gz PUWNMBHSJKJIDM-LWGWVAHUSA-N 1 2 346.383 0.979 40 0 ECABLO COCC(=O)N1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019289012 436106895 /nfs/dbraw/zinc/10/68/95/436106895.db2.gz GXBVLYLOMSQJFI-UHFFFAOYSA-N 1 2 329.404 0.773 40 0 ECABLO Cn1cccc1C(=O)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196908 436521284 /nfs/dbraw/zinc/52/12/84/436521284.db2.gz AYRHONCXGWYLCR-UHFFFAOYSA-N 1 2 343.431 0.752 40 0 ECABLO O=C(c1cscn1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096067903 436509761 /nfs/dbraw/zinc/50/97/61/436509761.db2.gz PVPKWBLUPQADGT-UHFFFAOYSA-N 1 2 347.444 0.870 40 0 ECABLO CS(=O)(=O)N1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240469 436527209 /nfs/dbraw/zinc/52/72/09/436527209.db2.gz DYEFBYWUAZSOQZ-HIFRSBDPSA-N 1 2 341.433 0.561 40 0 ECABLO CCc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3C2)o1 ZINC000096246331 436528631 /nfs/dbraw/zinc/52/86/31/436528631.db2.gz HSTIENIGWLKNKO-HUUCEWRRSA-N 1 2 335.404 0.342 40 0 ECABLO CCc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3C2)o1 ZINC000096246331 436528634 /nfs/dbraw/zinc/52/86/34/436528634.db2.gz HSTIENIGWLKNKO-HUUCEWRRSA-N 1 2 335.404 0.342 40 0 ECABLO CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230221 436760924 /nfs/dbraw/zinc/76/09/24/436760924.db2.gz NPECJSMGFDAYKF-FLTUCWPJSA-N 1 2 346.383 0.892 40 0 ECABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247522704 436796113 /nfs/dbraw/zinc/79/61/13/436796113.db2.gz MBSOMHVRLVFTTR-AWEZNQCLSA-N 1 2 328.438 0.358 40 0 ECABLO CS(=O)(=O)NCC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247522704 436796116 /nfs/dbraw/zinc/79/61/16/436796116.db2.gz MBSOMHVRLVFTTR-AWEZNQCLSA-N 1 2 328.438 0.358 40 0 ECABLO CN(C)C(=O)COC[C@@H]1CCOC12CN(c1cc(N(C)C)[nH+]cn1)C2 ZINC000248077722 436799825 /nfs/dbraw/zinc/79/98/25/436799825.db2.gz BZBQVUGBFNUJFT-ZDUSSCGKSA-N 1 2 349.435 0.243 40 0 ECABLO CN(C)C(=O)COC[C@@H]1CCOC12CN(c1cc(N(C)C)nc[nH+]1)C2 ZINC000248077722 436799828 /nfs/dbraw/zinc/79/98/28/436799828.db2.gz BZBQVUGBFNUJFT-ZDUSSCGKSA-N 1 2 349.435 0.243 40 0 ECABLO CN(C)c1cc([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)cc[nH+]1 ZINC000257280549 436862396 /nfs/dbraw/zinc/86/23/96/436862396.db2.gz OLIOXKHUSIMMJF-ZDUSSCGKSA-N 1 2 345.403 0.405 40 0 ECABLO Cc1ncc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257303399 436867013 /nfs/dbraw/zinc/86/70/13/436867013.db2.gz SHAZZIOESFCILP-QGZVFWFLSA-N 1 2 327.388 0.941 40 0 ECABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257317935 436869848 /nfs/dbraw/zinc/86/98/48/436869848.db2.gz VLTZFEKTTGOPPB-AWEZNQCLSA-N 1 2 345.403 0.877 40 0 ECABLO CCn1cc(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)c(C)n1 ZINC000257321558 436869908 /nfs/dbraw/zinc/86/99/08/436869908.db2.gz WCEHZBRBNMQDCI-QGZVFWFLSA-N 1 2 344.419 0.681 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccccn3)C2)nc[nH+]1 ZINC000257317183 436869980 /nfs/dbraw/zinc/86/99/80/436869980.db2.gz VIRZNBLDPMRSNS-QGZVFWFLSA-N 1 2 342.403 0.627 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccccn3)C2)[nH+]cn1 ZINC000257317183 436869986 /nfs/dbraw/zinc/86/99/86/436869986.db2.gz VIRZNBLDPMRSNS-QGZVFWFLSA-N 1 2 342.403 0.627 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cccnc2=O)CC[N@@H+]1C ZINC000257319587 436871428 /nfs/dbraw/zinc/87/14/28/436871428.db2.gz VTDSXBZXFVEFDU-OAHLLOKOSA-N 1 2 342.399 0.767 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cccnc2=O)CC[N@H+]1C ZINC000257319587 436871429 /nfs/dbraw/zinc/87/14/29/436871429.db2.gz VTDSXBZXFVEFDU-OAHLLOKOSA-N 1 2 342.399 0.767 40 0 ECABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000257329511 436872991 /nfs/dbraw/zinc/87/29/91/436872991.db2.gz XKHCJDRBNDBWHL-GFCCVEGCSA-N 1 2 347.419 0.765 40 0 ECABLO CCS(=O)(=O)NC[C@H]1CN(c2ncc(F)cn2)Cc2c[nH+]cn21 ZINC000306142080 437168447 /nfs/dbraw/zinc/16/84/47/437168447.db2.gz WOVNUBZQLSDEHQ-LBPRGKRZSA-N 1 2 340.384 0.313 40 0 ECABLO Cn1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(COc3ccccc3)C2)n1 ZINC000585276952 439636956 /nfs/dbraw/zinc/63/69/56/439636956.db2.gz QHSGUBZEKLYGFE-KRWDZBQOSA-N 1 2 330.388 0.874 40 0 ECABLO Cn1ccc(NC(=O)C[N@H+]2CC[C@@](O)(COc3ccccc3)C2)n1 ZINC000585276952 439636960 /nfs/dbraw/zinc/63/69/60/439636960.db2.gz QHSGUBZEKLYGFE-KRWDZBQOSA-N 1 2 330.388 0.874 40 0 ECABLO CO[C@@H]1COC[C@@H]([N@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1O ZINC000585287887 439640536 /nfs/dbraw/zinc/64/05/36/439640536.db2.gz GRAJWUZAUCADTQ-FAJBIJEISA-N 1 2 348.443 0.887 40 0 ECABLO CO[C@@H]1COC[C@@H]([N@@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1O ZINC000585287887 439640538 /nfs/dbraw/zinc/64/05/38/439640538.db2.gz GRAJWUZAUCADTQ-FAJBIJEISA-N 1 2 348.443 0.887 40 0 ECABLO CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cn1cc[nH+]c1 ZINC000585288186 439641381 /nfs/dbraw/zinc/64/13/81/439641381.db2.gz QCSOMOFYJSSJIQ-SUMWQHHRSA-N 1 2 334.420 0.948 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CNS(C)(=O)=O)N(Cc1ccccc1)C2 ZINC000585094612 439627677 /nfs/dbraw/zinc/62/76/77/439627677.db2.gz FOQFGIKMABQKEW-CQSZACIVSA-N 1 2 334.445 0.896 40 0 ECABLO O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000216537745 545919566 /nfs/dbraw/zinc/91/95/66/545919566.db2.gz AEUUCCZKBGQCFU-HZPDHXFCSA-N 1 2 333.363 0.825 40 0 ECABLO C[N@@H+]1CCc2nc(NC(=O)CCn3ccc(=O)[nH]c3=O)sc2C1 ZINC000023993808 283175321 /nfs/dbraw/zinc/17/53/21/283175321.db2.gz APNBRLJGBPCKPQ-UHFFFAOYSA-N 1 2 335.389 0.010 40 0 ECABLO C[N@H+]1CCc2nc(NC(=O)CCn3ccc(=O)[nH]c3=O)sc2C1 ZINC000023993808 283175322 /nfs/dbraw/zinc/17/53/22/283175322.db2.gz APNBRLJGBPCKPQ-UHFFFAOYSA-N 1 2 335.389 0.010 40 0 ECABLO O=C(C[N@@H+]1CCC[C@@H]1c1cncc(-n2ccnc2)n1)N1CCOCC1 ZINC000072378725 216181640 /nfs/dbraw/zinc/18/16/40/216181640.db2.gz VPEXGBIANMCELQ-OAHLLOKOSA-N 1 2 342.403 0.658 40 0 ECABLO O=C(C[N@H+]1CCC[C@@H]1c1cncc(-n2ccnc2)n1)N1CCOCC1 ZINC000072378725 216181644 /nfs/dbraw/zinc/18/16/44/216181644.db2.gz VPEXGBIANMCELQ-OAHLLOKOSA-N 1 2 342.403 0.658 40 0 ECABLO Cc1nc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cc(N2CCOCC2)n1 ZINC000072387728 216187247 /nfs/dbraw/zinc/18/72/47/216187247.db2.gz CXDUMQMMIPFSGM-MRXNPFEDSA-N 1 2 344.419 0.918 40 0 ECABLO Cc1nc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cc(N2CCOCC2)n1 ZINC000072387728 216187248 /nfs/dbraw/zinc/18/72/48/216187248.db2.gz CXDUMQMMIPFSGM-MRXNPFEDSA-N 1 2 344.419 0.918 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2O)CC1 ZINC000257204063 244126679 /nfs/dbraw/zinc/12/66/79/244126679.db2.gz ASXMLZJLTZOZPE-IAGOWNOFSA-N 1 2 349.406 0.484 40 0 ECABLO CC(=O)N1CCC([N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)CC1 ZINC000257213210 244157497 /nfs/dbraw/zinc/15/74/97/244157497.db2.gz CGPCBALSVHUVAB-LBPRGKRZSA-N 1 2 340.449 0.613 40 0 ECABLO CC(=O)N1CCC([N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)CC1 ZINC000257213210 244157504 /nfs/dbraw/zinc/15/75/04/244157504.db2.gz CGPCBALSVHUVAB-LBPRGKRZSA-N 1 2 340.449 0.613 40 0 ECABLO O=C(CCc1cccs1)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257224642 244195227 /nfs/dbraw/zinc/19/52/27/244195227.db2.gz FCROUCCPXVURII-XJKCOSOUSA-N 1 2 337.445 0.121 40 0 ECABLO O=C(CCc1cccs1)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257224642 244195234 /nfs/dbraw/zinc/19/52/34/244195234.db2.gz FCROUCCPXVURII-XJKCOSOUSA-N 1 2 337.445 0.121 40 0 ECABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cncc(-c2cncnc2)c1 ZINC000257270819 244377631 /nfs/dbraw/zinc/37/76/31/244377631.db2.gz MVTVWENTEPXEMW-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)o1 ZINC000015674035 436082820 /nfs/dbraw/zinc/08/28/20/436082820.db2.gz XQOREDBSVRXZKU-YGRLFVJLSA-N 1 2 343.343 0.920 40 0 biogenic,in-vitro ECABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)o1 ZINC000015674035 436082825 /nfs/dbraw/zinc/08/28/25/436082825.db2.gz XQOREDBSVRXZKU-YGRLFVJLSA-N 1 2 343.343 0.920 40 0 biogenic,in-vitro ECABLO Cn1cc(C[N@@H+]2CCOC[C@]3(CN(c4ccoc4)C(=O)CO3)C2)cn1 ZINC000096051396 436506259 /nfs/dbraw/zinc/50/62/59/436506259.db2.gz BIUICZOZMAHZGX-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1cc(C[N@H+]2CCOC[C@]3(CN(c4ccoc4)C(=O)CO3)C2)cn1 ZINC000096051396 436506263 /nfs/dbraw/zinc/50/62/63/436506263.db2.gz BIUICZOZMAHZGX-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)no1 ZINC000096219475 436524988 /nfs/dbraw/zinc/52/49/88/436524988.db2.gz BLWOINIBTSMFBS-HZSPNIEDSA-N 1 2 329.360 0.859 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)no1 ZINC000096219475 436524992 /nfs/dbraw/zinc/52/49/92/436524992.db2.gz BLWOINIBTSMFBS-HZSPNIEDSA-N 1 2 329.360 0.859 40 0 ECABLO OCCCNc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329042480 437307589 /nfs/dbraw/zinc/30/75/89/437307589.db2.gz SMSXIDMLLIPATN-CQSZACIVSA-N 1 2 329.404 0.768 40 0 ECABLO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C)C3)C2)c1 ZINC000604382705 439312835 /nfs/dbraw/zinc/31/28/35/439312835.db2.gz ZFGINRROIOQBIR-OAHLLOKOSA-N 1 2 331.416 0.536 40 0 biogenic,in-vitro ECABLO Cn1cccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)[C@H]2OCCC[C@H]2C1 ZINC000097953447 219063633 /nfs/dbraw/zinc/06/36/33/219063633.db2.gz FTUVTKFTQUGLLD-UAGQMJEPSA-N 1 2 333.432 0.977 40 0 ECABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000067897338 215246176 /nfs/dbraw/zinc/24/61/76/215246176.db2.gz GFQCKIKUKUFMSW-CABCVRRESA-N 1 2 327.388 0.427 40 0 biogenic,in-vitro ECABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000067897338 215246177 /nfs/dbraw/zinc/24/61/77/215246177.db2.gz GFQCKIKUKUFMSW-CABCVRRESA-N 1 2 327.388 0.427 40 0 biogenic,in-vitro ECABLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000036329877 213084467 /nfs/dbraw/zinc/08/44/67/213084467.db2.gz MIPOOJBGTJORPV-SRVKXCTJSA-N 1 2 341.433 0.770 40 0 ECABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000257236090 244229008 /nfs/dbraw/zinc/22/90/08/244229008.db2.gz HASMQFIZNWJNBB-CQSZACIVSA-N 1 2 334.807 0.958 40 0 ECABLO Cc1cc(N2CCC[C@](O)(CNC(=O)Cn3cccn3)C2)nc[nH+]1 ZINC000257239375 244239086 /nfs/dbraw/zinc/23/90/86/244239086.db2.gz HOZXWUPPKHQIIF-INIZCTEOSA-N 1 2 330.392 0.129 40 0 ECABLO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC000257247984 244260837 /nfs/dbraw/zinc/26/08/37/244260837.db2.gz JBMZRJGGOMQANX-GDBMZVCRSA-N 1 2 344.358 0.025 40 0 ECABLO COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC000257247984 244260842 /nfs/dbraw/zinc/26/08/42/244260842.db2.gz JBMZRJGGOMQANX-GDBMZVCRSA-N 1 2 344.358 0.025 40 0 ECABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)N1CCOCC1 ZINC000257259293 244290416 /nfs/dbraw/zinc/29/04/16/244290416.db2.gz KXRQYCNOCCHLBN-CQSZACIVSA-N 1 2 340.449 0.559 40 0 ECABLO CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@H](c3nccc(C)n3)C2)CC1 ZINC000257269868 244374830 /nfs/dbraw/zinc/37/48/30/244374830.db2.gz MRSHPZAPGRZCIE-HNNXBMFYSA-N 1 2 334.420 0.532 40 0 ECABLO CC(=O)N1CCC(O)(C[N@H+]2CCO[C@H](c3nccc(C)n3)C2)CC1 ZINC000257269868 244374833 /nfs/dbraw/zinc/37/48/33/244374833.db2.gz MRSHPZAPGRZCIE-HNNXBMFYSA-N 1 2 334.420 0.532 40 0 ECABLO Cn1cncc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108534267 279391141 /nfs/dbraw/zinc/39/11/41/279391141.db2.gz LCMHJRGLZNGJGZ-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1cncc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108534267 279391145 /nfs/dbraw/zinc/39/11/45/279391145.db2.gz LCMHJRGLZNGJGZ-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1c[nH+]cc1CN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108534267 279391150 /nfs/dbraw/zinc/39/11/50/279391150.db2.gz LCMHJRGLZNGJGZ-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO CC(C)[NH+]1CCN(S(=O)(=O)c2cncc(Cl)c2NN)CC1 ZINC000072210804 436037798 /nfs/dbraw/zinc/03/77/98/436037798.db2.gz ZKIIPZCMHKKBSH-UHFFFAOYSA-N 1 2 333.845 0.735 40 0 ECABLO Cc1cc(=O)[nH]c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000072341812 436042905 /nfs/dbraw/zinc/04/29/05/436042905.db2.gz XTQLYJOIUQBJDP-AWEZNQCLSA-N 1 2 333.436 0.601 40 0 ECABLO Cc1nc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)nc2c1C(=O)CCC2 ZINC000013635924 436065069 /nfs/dbraw/zinc/06/50/69/436065069.db2.gz ADVBQAHIODUNCT-UHFFFAOYSA-N 1 2 345.403 0.440 40 0 ECABLO O=C(c1ccc[nH]1)N1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160301 436517414 /nfs/dbraw/zinc/51/74/14/436517414.db2.gz QDXPSVZVYULIMF-YJBOKZPZSA-N 1 2 349.431 0.737 40 0 ECABLO CN(C)C(=O)N1CCc2[nH+]cc(CN(C)Cc3cncnc3)n2CC1 ZINC000096197144 436521587 /nfs/dbraw/zinc/52/15/87/436521587.db2.gz JNHCJMQMJMXRPP-UHFFFAOYSA-N 1 2 343.435 0.845 40 0 ECABLO CN(C)C(=O)N1CCc2ncc(C[N@H+](C)Cc3cncnc3)n2CC1 ZINC000096197144 436521589 /nfs/dbraw/zinc/52/15/89/436521589.db2.gz JNHCJMQMJMXRPP-UHFFFAOYSA-N 1 2 343.435 0.845 40 0 ECABLO CN(C)C(=O)N1CCc2ncc(C[N@@H+](C)Cc3cncnc3)n2CC1 ZINC000096197144 436521591 /nfs/dbraw/zinc/52/15/91/436521591.db2.gz JNHCJMQMJMXRPP-UHFFFAOYSA-N 1 2 343.435 0.845 40 0 ECABLO CCOC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2[nH+]cn(C)c21 ZINC000096044818 436505170 /nfs/dbraw/zinc/50/51/70/436505170.db2.gz VLNRTHTVGZQGEC-NSHDSACASA-N 1 2 339.421 0.478 40 0 ECABLO O=S(=O)(C1CC1)N1C[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096217520 436525024 /nfs/dbraw/zinc/52/50/24/436525024.db2.gz LBDPYVWOICEIEL-GOEBONIOSA-N 1 2 337.445 0.706 40 0 ECABLO O=S(=O)(C1CC1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096217520 436525029 /nfs/dbraw/zinc/52/50/29/436525029.db2.gz LBDPYVWOICEIEL-GOEBONIOSA-N 1 2 337.445 0.706 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[C@H]2OCC[N@H+](Cc3cnn(C)c3)[C@@H]2C1 ZINC000096250473 436529337 /nfs/dbraw/zinc/52/93/37/436529337.db2.gz PJJCLXYAGACKIJ-FVQBIDKESA-N 1 2 336.436 0.504 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[C@H]2OCC[N@@H+](Cc3cnn(C)c3)[C@@H]2C1 ZINC000096250473 436529341 /nfs/dbraw/zinc/52/93/41/436529341.db2.gz PJJCLXYAGACKIJ-FVQBIDKESA-N 1 2 336.436 0.504 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cnccn3)C2)nc[nH+]1 ZINC000257215635 436859242 /nfs/dbraw/zinc/85/92/42/436859242.db2.gz CQYUNIIFLYWOIF-QGZVFWFLSA-N 1 2 342.403 0.679 40 0 ECABLO CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257269869 436862369 /nfs/dbraw/zinc/86/23/69/436862369.db2.gz MRSHPZAPGRZCIE-OAHLLOKOSA-N 1 2 334.420 0.532 40 0 ECABLO CC(=O)N1CCC(O)(C[N@H+]2CCO[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257269869 436862372 /nfs/dbraw/zinc/86/23/72/436862372.db2.gz MRSHPZAPGRZCIE-OAHLLOKOSA-N 1 2 334.420 0.532 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257302283 436866090 /nfs/dbraw/zinc/86/60/90/436866090.db2.gz SCHJLNWAVFNSMO-HOTGVXAUSA-N 1 2 340.383 0.916 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3ccccn3)[C@H](O)C2)no1 ZINC000257321753 436869874 /nfs/dbraw/zinc/86/98/74/436869874.db2.gz WDCIIZPPTGOLPJ-NVXWUHKLSA-N 1 2 346.387 0.106 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3ccccn3)[C@H](O)C2)no1 ZINC000257321753 436869880 /nfs/dbraw/zinc/86/98/80/436869880.db2.gz WDCIIZPPTGOLPJ-NVXWUHKLSA-N 1 2 346.387 0.106 40 0 ECABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000585105264 439629127 /nfs/dbraw/zinc/62/91/27/439629127.db2.gz RRZQSHCEHDUDII-CYBMUJFWSA-N 1 2 325.434 0.612 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(Cc3nccs3)C2)C[N@@H+]1CC1CC1 ZINC000585109651 439630743 /nfs/dbraw/zinc/63/07/43/439630743.db2.gz YNBFCDQMMNDYBQ-CYBMUJFWSA-N 1 2 336.461 0.554 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(Cc3nccs3)C2)C[N@H+]1CC1CC1 ZINC000585109651 439630750 /nfs/dbraw/zinc/63/07/50/439630750.db2.gz YNBFCDQMMNDYBQ-CYBMUJFWSA-N 1 2 336.461 0.554 40 0 ECABLO CN(C)C(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000585168394 439636142 /nfs/dbraw/zinc/63/61/42/439636142.db2.gz KHNTZARUQXJWTD-MRXNPFEDSA-N 1 2 328.416 0.941 40 0 ECABLO CN(C)C(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000585168394 439636145 /nfs/dbraw/zinc/63/61/45/439636145.db2.gz KHNTZARUQXJWTD-MRXNPFEDSA-N 1 2 328.416 0.941 40 0 ECABLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626392803 547345408 /nfs/dbraw/zinc/34/54/08/547345408.db2.gz CPCMMIJXLROIHP-SQWLQELKSA-N 1 2 349.435 0.592 40 0 ECABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1nn(C)cc1Br ZINC000022241478 212285076 /nfs/dbraw/zinc/28/50/76/212285076.db2.gz JNBMWJFAQWAPBL-SECBINFHSA-N 1 2 331.214 0.633 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccnn3C)CC[N@@H+]2C)c1 ZINC000257238802 244234567 /nfs/dbraw/zinc/23/45/67/244234567.db2.gz HMPSRUSWHROSKG-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccnn3C)CC[N@H+]2C)c1 ZINC000257238802 244234572 /nfs/dbraw/zinc/23/45/72/244234572.db2.gz HMPSRUSWHROSKG-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257256965 244284968 /nfs/dbraw/zinc/28/49/68/244284968.db2.gz KNOQKPNQPMGDGQ-KRWDZBQOSA-N 1 2 347.394 0.955 40 0 ECABLO NC(=O)NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257277547 244399664 /nfs/dbraw/zinc/39/96/64/244399664.db2.gz NYIYOKIALPCGCH-UKMLZYKCSA-N 1 2 335.404 0.184 40 0 ECABLO Cc1nc(N)nc(C)c1CCC(=O)N1CC[N@@H+](C(C)C)[C@H](C(N)=O)C1 ZINC000257296381 244448488 /nfs/dbraw/zinc/44/84/88/244448488.db2.gz RCOOJTBRTQWUTQ-AWEZNQCLSA-N 1 2 348.451 0.015 40 0 ECABLO Cc1nc(N)nc(C)c1CCC(=O)N1CC[N@H+](C(C)C)[C@H](C(N)=O)C1 ZINC000257296381 244448494 /nfs/dbraw/zinc/44/84/94/244448494.db2.gz RCOOJTBRTQWUTQ-AWEZNQCLSA-N 1 2 348.451 0.015 40 0 ECABLO C[C@H](CNC(=O)COCc1nc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000019714091 212056665 /nfs/dbraw/zinc/05/66/65/212056665.db2.gz CLOHPNNSSRPRFO-CYBMUJFWSA-N 1 2 332.404 0.916 40 0 ECABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1cccs1 ZINC000015676554 284198288 /nfs/dbraw/zinc/19/82/88/284198288.db2.gz PJLUQLNRNMNQOK-JTQLQIEISA-N 1 2 341.414 0.770 40 0 biogenic,in-vitro ECABLO c1cncc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CC3)n2)c1 ZINC000328982534 257908386 /nfs/dbraw/zinc/90/83/86/257908386.db2.gz HBIKDKLREQPWIL-UHFFFAOYSA-N 1 2 340.431 0.701 40 0 ECABLO CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096201028 278093847 /nfs/dbraw/zinc/09/38/47/278093847.db2.gz RRWINOZFCWJCPG-SJORKVTESA-N 1 2 346.431 0.062 40 0 ECABLO CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230222 288431259 /nfs/dbraw/zinc/43/12/59/288431259.db2.gz NPECJSMGFDAYKF-NPSOMJIGSA-N 1 2 346.383 0.892 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000096230130 290041049 /nfs/dbraw/zinc/04/10/49/290041049.db2.gz PWTJVRJPBLVWGG-HNNXBMFYSA-N 1 2 335.448 0.711 40 0 ECABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000096230130 290041054 /nfs/dbraw/zinc/04/10/54/290041054.db2.gz PWTJVRJPBLVWGG-HNNXBMFYSA-N 1 2 335.448 0.711 40 0 ECABLO C[C@@H](NC(=O)[C@H](O)C[NH+]1CCOCC1)[C@H]1COc2ccccc2O1 ZINC000033829009 436254101 /nfs/dbraw/zinc/25/41/01/436254101.db2.gz FNIAQUHWOVXXEH-XJKCOSOUSA-N 1 2 336.388 0.024 40 0 ECABLO Cc1csc(C[N@@H+]2C[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)n1 ZINC000096108033 436513396 /nfs/dbraw/zinc/51/33/96/436513396.db2.gz JLUHZCJJIDRYNF-VXGBXAGGSA-N 1 2 331.463 0.544 40 0 ECABLO Cc1csc(C[N@H+]2C[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)n1 ZINC000096108033 436513399 /nfs/dbraw/zinc/51/33/99/436513399.db2.gz JLUHZCJJIDRYNF-VXGBXAGGSA-N 1 2 331.463 0.544 40 0 ECABLO Cn1cc(N2C[C@]3(COCC[N@H+](Cc4ccco4)C3)OCC2=O)cn1 ZINC000096240213 436525839 /nfs/dbraw/zinc/52/58/39/436525839.db2.gz IOVDNZGGLGHWLB-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1cc(N2C[C@]3(COCC[N@@H+](Cc4ccco4)C3)OCC2=O)cn1 ZINC000096240213 436525841 /nfs/dbraw/zinc/52/58/41/436525841.db2.gz IOVDNZGGLGHWLB-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)[nH]c(=O)c1C ZINC000065307526 436653770 /nfs/dbraw/zinc/65/37/70/436653770.db2.gz CZOLWDCCVSCNBU-UHFFFAOYSA-N 1 2 333.436 0.521 40 0 ECABLO CS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000247550467 436795519 /nfs/dbraw/zinc/79/55/19/436795519.db2.gz VRRSFXCXAKEUER-ZDUSSCGKSA-N 1 2 325.434 0.612 40 0 ECABLO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257338128 436874401 /nfs/dbraw/zinc/87/44/01/436874401.db2.gz YVZYAWAAHAIULR-KRWDZBQOSA-N 1 2 329.404 0.653 40 0 ECABLO CN1CC[NH+]([C@@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@H]2O)CC1 ZINC000257294200 436862948 /nfs/dbraw/zinc/86/29/48/436862948.db2.gz QTANOWRHUAYYOQ-CHWSQXEVSA-N 1 2 342.827 0.080 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cnn(C)c3)CC[N@@H+]2C)c1 ZINC000257311583 436868131 /nfs/dbraw/zinc/86/81/31/436868131.db2.gz UKEVJHHNSOVWGU-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cnn(C)c3)CC[N@H+]2C)c1 ZINC000257311583 436868133 /nfs/dbraw/zinc/86/81/33/436868133.db2.gz UKEVJHHNSOVWGU-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000257305813 436868806 /nfs/dbraw/zinc/86/88/06/436868806.db2.gz SRQSFOBGWDBQGR-AWEZNQCLSA-N 1 2 331.420 0.275 40 0 ECABLO C[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329003912 437300612 /nfs/dbraw/zinc/30/06/12/437300612.db2.gz KPIIQTZSDIGXJK-GXTWGEPZSA-N 1 2 329.404 0.766 40 0 ECABLO Cc1ccccc1OC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000585277017 439636562 /nfs/dbraw/zinc/63/65/62/439636562.db2.gz RJEINWRVNHWOTG-SFHVURJKSA-N 1 2 344.415 1.183 40 0 ECABLO Cc1ccccc1OC[C@]1(O)CC[N@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000585277017 439636566 /nfs/dbraw/zinc/63/65/66/439636566.db2.gz RJEINWRVNHWOTG-SFHVURJKSA-N 1 2 344.415 1.183 40 0 ECABLO Cc1ccccc1OC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000585277016 439637703 /nfs/dbraw/zinc/63/77/03/439637703.db2.gz RJEINWRVNHWOTG-GOSISDBHSA-N 1 2 344.415 1.183 40 0 ECABLO Cc1ccccc1OC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000585277016 439637705 /nfs/dbraw/zinc/63/77/05/439637705.db2.gz RJEINWRVNHWOTG-GOSISDBHSA-N 1 2 344.415 1.183 40 0 ECABLO CCN(C(=O)CCc1ccc2[nH]c(C)[nH+]c2c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287002 439639758 /nfs/dbraw/zinc/63/97/58/439639758.db2.gz QNTUAVIDLFOYDH-NUJGCVRESA-N 1 2 347.415 0.773 40 0 ECABLO CCN(C(=O)CCc1ccc2[nH+]c(C)[nH]c2c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287002 439639760 /nfs/dbraw/zinc/63/97/60/439639760.db2.gz QNTUAVIDLFOYDH-NUJGCVRESA-N 1 2 347.415 0.773 40 0 ECABLO COc1cccc(CN2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1F ZINC000585292077 439641485 /nfs/dbraw/zinc/64/14/85/439641485.db2.gz WRZOLMXYDSFKQH-CPUCHLNUSA-N 1 2 340.395 0.073 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](CNc1ncccn1)N(S(=O)(=O)C1CC1)C2 ZINC000585094984 439627580 /nfs/dbraw/zinc/62/75/80/439627580.db2.gz YFHMRNZHQCCWBJ-NSHDSACASA-N 1 2 348.432 0.541 40 0 ECABLO CS(=O)(=O)N1CC[N@H+](Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257220876 244185942 /nfs/dbraw/zinc/18/59/42/244185942.db2.gz DMOGDOXBUQOBKL-LBPRGKRZSA-N 1 2 345.852 0.519 40 0 ECABLO CS(=O)(=O)N1CC[N@@H+](Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257220876 244185950 /nfs/dbraw/zinc/18/59/50/244185950.db2.gz DMOGDOXBUQOBKL-LBPRGKRZSA-N 1 2 345.852 0.519 40 0 ECABLO Cc1cc(C)n(CC(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257338129 244568856 /nfs/dbraw/zinc/56/88/56/244568856.db2.gz YVZYAWAAHAIULR-QGZVFWFLSA-N 1 2 329.404 0.653 40 0 ECABLO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000019497883 212032701 /nfs/dbraw/zinc/03/27/01/212032701.db2.gz PAWSZMTZJCLLQI-MLGOLLRUSA-N 1 2 340.445 0.763 40 0 ECABLO O=C(CCCN1C(=O)c2ccccc2C1=O)NCC[NH+]1CCOCC1 ZINC000013717404 436066206 /nfs/dbraw/zinc/06/62/06/436066206.db2.gz SUMUNTBSABLBJR-UHFFFAOYSA-N 1 2 345.399 0.511 40 0 ECABLO CCCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108118 436514229 /nfs/dbraw/zinc/51/42/29/436514229.db2.gz DXGHXBIKNXQFQM-LSDHHAIUSA-N 1 2 342.465 0.293 40 0 ECABLO CCCS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108118 436514232 /nfs/dbraw/zinc/51/42/32/436514232.db2.gz DXGHXBIKNXQFQM-LSDHHAIUSA-N 1 2 342.465 0.293 40 0 ECABLO Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(S(C)(=O)=O)C3)o1 ZINC000096049869 436507106 /nfs/dbraw/zinc/50/71/06/436507106.db2.gz KUVXOHATBSHUPZ-HNNXBMFYSA-N 1 2 344.433 0.451 40 0 ECABLO Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(S(C)(=O)=O)C3)o1 ZINC000096049869 436507109 /nfs/dbraw/zinc/50/71/09/436507109.db2.gz KUVXOHATBSHUPZ-HNNXBMFYSA-N 1 2 344.433 0.451 40 0 ECABLO O=C1CO[C@@]2(CN1c1cncnc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096078327 436509688 /nfs/dbraw/zinc/50/96/88/436509688.db2.gz UDHFAAIFISNRMU-KRWDZBQOSA-N 1 2 344.371 0.704 40 0 ECABLO O=C1CO[C@@]2(CN1c1cncnc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096078327 436509690 /nfs/dbraw/zinc/50/96/90/436509690.db2.gz UDHFAAIFISNRMU-KRWDZBQOSA-N 1 2 344.371 0.704 40 0 ECABLO CN(C)C(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC000096073564 436510379 /nfs/dbraw/zinc/51/03/79/436510379.db2.gz DZNYVLMRRZUDFU-YOEHRIQHSA-N 1 2 336.436 0.648 40 0 ECABLO CN(C)C(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC000096073564 436510382 /nfs/dbraw/zinc/51/03/82/436510382.db2.gz DZNYVLMRRZUDFU-YOEHRIQHSA-N 1 2 336.436 0.648 40 0 ECABLO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4nccn4C)C3)N(C)CC2=O)cn1 ZINC000096230528 436526063 /nfs/dbraw/zinc/52/60/63/436526063.db2.gz OMELJWDMEJZNKG-KRWDZBQOSA-N 1 2 343.435 0.077 40 0 ECABLO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4nccn4C)C3)N(C)CC2=O)cn1 ZINC000096230528 436526069 /nfs/dbraw/zinc/52/60/69/436526069.db2.gz OMELJWDMEJZNKG-KRWDZBQOSA-N 1 2 343.435 0.077 40 0 ECABLO Cn1cc(C[N@@H+]2CCn3c(COc4ncccn4)nnc3C2)cn1 ZINC000096259050 436527920 /nfs/dbraw/zinc/52/79/20/436527920.db2.gz XGHVJLYUDRNDKK-UHFFFAOYSA-N 1 2 326.364 0.396 40 0 ECABLO Cn1cc(C[N@H+]2CCn3c(COc4ncccn4)nnc3C2)cn1 ZINC000096259050 436527924 /nfs/dbraw/zinc/52/79/24/436527924.db2.gz XGHVJLYUDRNDKK-UHFFFAOYSA-N 1 2 326.364 0.396 40 0 ECABLO Nc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)[nH+]cn1 ZINC000257324883 436872104 /nfs/dbraw/zinc/87/21/04/436872104.db2.gz WQPHXXKNRUABCU-ZIAGYGMSSA-N 1 2 325.372 0.675 40 0 ECABLO COc1cc2nc(NN)n(CC[NH+]3CCOCC3)c(=O)c2cc1OC ZINC000408712640 438583209 /nfs/dbraw/zinc/58/32/09/438583209.db2.gz DIUNWIHPPKVHON-UHFFFAOYSA-N 1 2 349.391 0.032 40 0 ECABLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(Cl)c2)C[C@@H](O)CO)C1 ZINC000575420833 438748746 /nfs/dbraw/zinc/74/87/46/438748746.db2.gz KLPSEYQJDFDTAA-UONOGXRCSA-N 1 2 333.837 0.682 40 0 ECABLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(Cl)c2)C[C@@H](O)CO)C1 ZINC000575420833 438748748 /nfs/dbraw/zinc/74/87/48/438748748.db2.gz KLPSEYQJDFDTAA-UONOGXRCSA-N 1 2 333.837 0.682 40 0 ECABLO COc1ccccc1OCC(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094571 439628310 /nfs/dbraw/zinc/62/83/10/439628310.db2.gz BZJADRIAHMOKSL-GFCCVEGCSA-N 1 2 331.372 0.753 40 0 ECABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CNS(C)(=O)=O)o1 ZINC000585094575 439628335 /nfs/dbraw/zinc/62/83/35/439628335.db2.gz CDKGBZZAUDPFOL-GFCCVEGCSA-N 1 2 338.433 0.798 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccn3)C2)C[N@@H+]1CC1CC1 ZINC000585109388 439630526 /nfs/dbraw/zinc/63/05/26/439630526.db2.gz MMUBXSIGYICMEV-INIZCTEOSA-N 1 2 330.432 0.493 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccn3)C2)C[N@H+]1CC1CC1 ZINC000585109388 439630529 /nfs/dbraw/zinc/63/05/29/439630529.db2.gz MMUBXSIGYICMEV-INIZCTEOSA-N 1 2 330.432 0.493 40 0 ECABLO CO[C@@H]1COC[C@@H](CNC(=O)CCc2ccc3[nH]c(C)[nH+]c3c2)[C@@H]1O ZINC000585283392 439640128 /nfs/dbraw/zinc/64/01/28/439640128.db2.gz ANOSDYDSYDKRFE-QBIMZIAESA-N 1 2 347.415 0.942 40 0 ECABLO CO[C@@H]1COC[C@@H](CNC(=O)CCc2ccc3[nH+]c(C)[nH]c3c2)[C@@H]1O ZINC000585283392 439640135 /nfs/dbraw/zinc/64/01/35/439640135.db2.gz ANOSDYDSYDKRFE-QBIMZIAESA-N 1 2 347.415 0.942 40 0 ECABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585096195 439627211 /nfs/dbraw/zinc/62/72/11/439627211.db2.gz XTUDITMCKKLXBW-CYBMUJFWSA-N 1 2 338.389 0.499 40 0 ECABLO O=C(c1ccnnc1)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCO2)C1 ZINC000585096204 439627294 /nfs/dbraw/zinc/62/72/94/439627294.db2.gz XXQHAWOJPAPZAL-ZDUSSCGKSA-N 1 2 328.332 0.034 40 0 ECABLO COc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](CO)C[N@@H+]3C)cc1 ZINC000585093903 439627688 /nfs/dbraw/zinc/62/76/88/439627688.db2.gz OHJRNVFJGABZFH-LBPRGKRZSA-N 1 2 326.418 0.382 40 0 ECABLO COc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](CO)C[N@H+]3C)cc1 ZINC000585093903 439627691 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CS(=O)(=O)N1CCC([N@H+]2CCO[C@H](c3cnccn3)C2)CC1 ZINC000257272017 244379644 /nfs/dbraw/zinc/37/96/44/244379644.db2.gz NATGMOZEWBLNRF-AWEZNQCLSA-N 1 2 326.422 0.274 40 0 ECABLO O=C(NCc1[nH]cc[nH+]1)C1CN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019747218 212061248 /nfs/dbraw/zinc/06/12/48/212061248.db2.gz JEGILDNMXDWMQP-UHFFFAOYSA-N 1 2 338.364 0.486 40 0 ECABLO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](C2COC2)CC1 ZINC000225424123 257845226 /nfs/dbraw/zinc/84/52/26/257845226.db2.gz QNSACOGDHYZOTJ-UHFFFAOYSA-N 1 2 339.461 0.658 40 0 biogenic,in-vitro ECABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@H](CNS(C)(=O)=O)C1 ZINC000306142937 257925091 /nfs/dbraw/zinc/92/50/91/257925091.db2.gz XOTADQVBKWDIPL-CYBMUJFWSA-N 1 2 339.421 0.594 40 0 ECABLO C[NH+]1CCN(c2ncc3c(c2C(=O)[O-])CC[N@H+]([C@H]2CCOC2)C3)CC1 ZINC000096189218 290058623 /nfs/dbraw/zinc/05/86/23/290058623.db2.gz AXQCGKDOSBVJCI-AWEZNQCLSA-N 1 2 346.431 0.679 40 0 ECABLO C[NH+]1CCN(c2ncc3c(c2C(=O)[O-])CC[N@@H+]([C@H]2CCOC2)C3)CC1 ZINC000096189218 290058624 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CS(=O)(=O)N1CCOC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000107243586 436608501 /nfs/dbraw/zinc/60/85/01/436608501.db2.gz DYEFBYWUAZSOQZ-ZFWWWQNUSA-N 1 2 341.433 0.561 40 0 ECABLO Cn1cncc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000108530457 436618721 /nfs/dbraw/zinc/61/87/21/436618721.db2.gz PYHYNZNCVBQRTN-HOTGVXAUSA-N 1 2 342.403 0.326 40 0 ECABLO Cn1cncc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000108530457 436618725 /nfs/dbraw/zinc/61/87/25/436618725.db2.gz PYHYNZNCVBQRTN-HOTGVXAUSA-N 1 2 342.403 0.326 40 0 ECABLO Cn1c[nH+]cc1CN1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000108530457 436618726 /nfs/dbraw/zinc/61/87/26/436618726.db2.gz PYHYNZNCVBQRTN-HOTGVXAUSA-N 1 2 342.403 0.326 40 0 ECABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N(C)C)CS3)n(C)n1 ZINC000248047410 436799550 /nfs/dbraw/zinc/79/95/50/436799550.db2.gz WVXKRBJFKWCQNN-AWEZNQCLSA-N 1 2 338.477 0.893 40 0 ECABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@H+](Cc3cccnc3)CCN21 ZINC000253408217 436841150 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439637780 /nfs/dbraw/zinc/63/77/80/439637780.db2.gz IEEPPHFDDRONPT-MRXNPFEDSA-N 1 2 340.424 0.091 40 0 ECABLO CNC(=O)C[C@]1(COC)C[N@@H+](Cc2c(C)nn(C)c2OC)CCO1 ZINC000585277531 439637782 /nfs/dbraw/zinc/63/77/82/439637782.db2.gz IEEPPHFDDRONPT-MRXNPFEDSA-N 1 2 340.424 0.091 40 0 ECABLO O=C(c1ccnnc1)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCO2)C1 ZINC000585096199 439627375 /nfs/dbraw/zinc/62/73/75/439627375.db2.gz XXQHAWOJPAPZAL-CYBMUJFWSA-N 1 2 328.332 0.034 40 0 ECABLO CCCCc1[nH]c(CN2CCN(C(C)=O)C[C@H](C(=O)NC)C2)c[nH+]1 ZINC000257263440 535101251 /nfs/dbraw/zinc/10/12/51/535101251.db2.gz LPYFCQVOTCLVAW-CQSZACIVSA-N 1 2 335.452 0.779 40 0 ECABLO CNC(=O)[C@H]1CN(c2cnccn2)CC[N@@H+]1CCc1ccccc1 ZINC000257242006 536401226 /nfs/dbraw/zinc/40/12/26/536401226.db2.gz IAPOVAIUONBONO-MRXNPFEDSA-N 1 2 325.416 0.956 40 0 ECABLO CNC(=O)[C@H]1CN(c2cnccn2)CC[N@H+]1CCc1ccccc1 ZINC000257242006 536401227 /nfs/dbraw/zinc/40/12/27/536401227.db2.gz IAPOVAIUONBONO-MRXNPFEDSA-N 1 2 325.416 0.956 40 0 ECABLO 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/nfs/dbraw/zinc/16/70/25/437167025.db2.gz KMTRFHZMNTXYPU-GOSISDBHSA-N 1 2 342.399 0.723 40 0 ECABLO CC(C)C(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3cccnc3)C2)C1 ZINC000604381996 439311117 /nfs/dbraw/zinc/31/11/17/439311117.db2.gz YEPPQJIXWBYPBK-QGZVFWFLSA-N 1 2 344.459 0.835 40 0 biogenic,in-vitro ECABLO Cc1cncc(OC[C@H]2Cc3c([nH+]cn3C)CN2S(C)(=O)=O)n1 ZINC000585094759 439628254 /nfs/dbraw/zinc/62/82/54/439628254.db2.gz LJRHSUJRIAGIRU-LLVKDONJSA-N 1 2 337.405 0.284 40 0 ECABLO Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)no1 ZINC000585097165 439628992 /nfs/dbraw/zinc/62/89/92/439628992.db2.gz IEDMJPPQLOZVIL-AWEZNQCLSA-N 1 2 345.403 0.926 40 0 ECABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2cccc(OC)c2F)CCO1 ZINC000585276951 439636782 /nfs/dbraw/zinc/63/67/82/439636782.db2.gz DYSGEKFAZDEOSJ-MRXNPFEDSA-N 1 2 326.368 0.927 40 0 ECABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2cccc(OC)c2F)CCO1 ZINC000585276951 439636785 /nfs/dbraw/zinc/63/67/85/439636785.db2.gz DYSGEKFAZDEOSJ-MRXNPFEDSA-N 1 2 326.368 0.927 40 0 ECABLO Cc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)co1 ZINC000072350843 216162218 /nfs/dbraw/zinc/16/22/18/216162218.db2.gz RTIPYBHVAHSJIL-OAHLLOKOSA-N 1 2 328.372 0.795 40 0 ECABLO Cc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)co1 ZINC000072350843 216162219 /nfs/dbraw/zinc/16/22/19/216162219.db2.gz RTIPYBHVAHSJIL-OAHLLOKOSA-N 1 2 328.372 0.795 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N2CCC(n3nc(C)cc3C)CC2)C1 ZINC000072367376 216175193 /nfs/dbraw/zinc/17/51/93/216175193.db2.gz ZGUYCPMJMYYDEE-KRWDZBQOSA-N 1 2 347.463 0.826 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@H](C(=O)N2CCC(n3nc(C)cc3C)CC2)C1 ZINC000072367376 216175197 /nfs/dbraw/zinc/17/51/97/216175197.db2.gz ZGUYCPMJMYYDEE-KRWDZBQOSA-N 1 2 347.463 0.826 40 0 ECABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380483 216182782 /nfs/dbraw/zinc/18/27/82/216182782.db2.gz GDBUBGZSNQNREL-CYBMUJFWSA-N 1 2 349.435 0.150 40 0 ECABLO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380483 216182784 /nfs/dbraw/zinc/18/27/84/216182784.db2.gz GDBUBGZSNQNREL-CYBMUJFWSA-N 1 2 349.435 0.150 40 0 ECABLO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257215449 244164350 /nfs/dbraw/zinc/16/43/50/244164350.db2.gz CQDLAJPMCSIFGC-GFCCVEGCSA-N 1 2 331.376 0.061 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccn(C)n3)CC[N@@H+]2C)c1 ZINC000257267745 244365811 /nfs/dbraw/zinc/36/58/11/244365811.db2.gz MIPGTWPVVZXHAO-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccn(C)n3)CC[N@H+]2C)c1 ZINC000257267745 244365817 /nfs/dbraw/zinc/36/58/17/244365817.db2.gz MIPGTWPVVZXHAO-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cn1cc[nH+]c1 ZINC000257293459 244443645 /nfs/dbraw/zinc/44/36/45/244443645.db2.gz QPMYIQYQKWWISA-MRXNPFEDSA-N 1 2 330.392 0.163 40 0 ECABLO CN1CC[NH+](C[C@@H]2OC[C@H](NC(=O)CCc3ccccc3)[C@H]2O)CC1 ZINC000514289710 257845440 /nfs/dbraw/zinc/84/54/40/257845440.db2.gz ZEHMCVGIUSLEDS-JENIJYKNSA-N 1 2 347.459 0.111 40 0 biogenic,in-vitro ECABLO Cn1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)cn1 ZINC000096076702 294236782 /nfs/dbraw/zinc/23/67/82/294236782.db2.gz MZDFGBGODJGGGH-QGZVFWFLSA-N 1 2 344.419 0.318 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)cn1 ZINC000096076702 294236785 /nfs/dbraw/zinc/23/67/85/294236785.db2.gz MZDFGBGODJGGGH-QGZVFWFLSA-N 1 2 344.419 0.318 40 0 ECABLO CCc1c(C)nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)[nH]c1=O ZINC000072341820 436045328 /nfs/dbraw/zinc/04/53/28/436045328.db2.gz MVLDTEXSVNALJU-UHFFFAOYSA-N 1 2 333.436 0.385 40 0 ECABLO COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CC[NH+](C)CC1 ZINC000013582938 436061273 /nfs/dbraw/zinc/06/12/73/436061273.db2.gz CCLIRTLMAWZBLG-UHFFFAOYSA-N 1 2 341.433 0.479 40 0 ECABLO CCS(=O)(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202283 436522322 /nfs/dbraw/zinc/52/23/22/436522322.db2.gz SBJMFXXHYIATFO-HNNXBMFYSA-N 1 2 325.434 0.960 40 0 ECABLO O=C([C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000096038874 436504500 /nfs/dbraw/zinc/50/45/00/436504500.db2.gz MASLJDSVDWLQSW-BFHYXJOUSA-N 1 2 337.445 0.839 40 0 ECABLO O=C([C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000096038874 436504505 /nfs/dbraw/zinc/50/45/05/436504505.db2.gz MASLJDSVDWLQSW-BFHYXJOUSA-N 1 2 337.445 0.839 40 0 ECABLO COCCNC(=O)[C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041131 436505092 /nfs/dbraw/zinc/50/50/92/436505092.db2.gz JTNIAZOHTYAVNG-RWMBFGLXSA-N 1 2 325.434 0.743 40 0 ECABLO COCCNC(=O)[C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041131 436505096 /nfs/dbraw/zinc/50/50/96/436505096.db2.gz JTNIAZOHTYAVNG-RWMBFGLXSA-N 1 2 325.434 0.743 40 0 ECABLO Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)N4CC[NH+](C)CC4)O[C@@H]3C2)nn1 ZINC000096042950 436505750 /nfs/dbraw/zinc/50/57/50/436505750.db2.gz HBMKFBYJRBFWKB-HRCADAONSA-N 1 2 345.447 0.543 40 0 ECABLO Cn1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)cn1 ZINC000096049854 436506789 /nfs/dbraw/zinc/50/67/89/436506789.db2.gz ZZYLWYKOOVOQNQ-GOSISDBHSA-N 1 2 343.431 0.923 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)cn1 ZINC000096049854 436506793 /nfs/dbraw/zinc/50/67/93/436506793.db2.gz ZZYLWYKOOVOQNQ-GOSISDBHSA-N 1 2 343.431 0.923 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078335 436510901 /nfs/dbraw/zinc/51/09/01/436510901.db2.gz WXHVPBFRAGROHF-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078335 436510905 /nfs/dbraw/zinc/51/09/05/436510905.db2.gz WXHVPBFRAGROHF-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078335 436510906 /nfs/dbraw/zinc/51/09/06/436510906.db2.gz WXHVPBFRAGROHF-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO CN(C)C(=O)CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096246333 436529012 /nfs/dbraw/zinc/52/90/12/436529012.db2.gz CVUBSAOEYNKCKX-GJZGRUSLSA-N 1 2 335.379 0.326 40 0 ECABLO CN(C)C(=O)CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096246333 436529014 /nfs/dbraw/zinc/52/90/14/436529014.db2.gz CVUBSAOEYNKCKX-GJZGRUSLSA-N 1 2 335.379 0.326 40 0 ECABLO Cc1ccccc1C(=O)N(C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257255046 302077174 /nfs/dbraw/zinc/07/71/74/302077174.db2.gz KFVRNKKEDYXGMP-JFIYKMOQSA-N 1 2 345.443 0.781 40 0 ECABLO Cc1ccccc1C(=O)N(C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257255046 302077178 /nfs/dbraw/zinc/07/71/78/302077178.db2.gz KFVRNKKEDYXGMP-JFIYKMOQSA-N 1 2 345.443 0.781 40 0 ECABLO C[C@@H](CNC(=O)c1cncc(-c2cncnc2)c1)[NH+]1CCOCC1 ZINC000257295026 436864412 /nfs/dbraw/zinc/86/44/12/436864412.db2.gz QWQCRMGMDSOONW-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO CN([C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC000257299748 436865334 /nfs/dbraw/zinc/86/53/34/436865334.db2.gz RRKDSWWMWIPZFO-BZUAXINKSA-N 1 2 340.445 0.531 40 0 ECABLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]C1(CS(=O)(=O)C1)CO2 ZINC000306145600 437167934 /nfs/dbraw/zinc/16/79/34/437167934.db2.gz KBQHOXQAMWKEEM-CQSZACIVSA-N 1 2 332.422 0.153 40 0 ECABLO CNc1nc(NCC[NH+]2CCN(C)CC2)cc(-c2ccccn2)n1 ZINC000328962541 437293742 /nfs/dbraw/zinc/29/37/42/437293742.db2.gz BIPGUQAIFAYAFH-UHFFFAOYSA-N 1 2 327.436 0.083 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575406185 438747594 /nfs/dbraw/zinc/74/75/94/438747594.db2.gz XSGILHCGSQWFPJ-KBMXLJTQSA-N 1 2 349.475 0.859 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575406185 438747595 /nfs/dbraw/zinc/74/75/95/438747595.db2.gz XSGILHCGSQWFPJ-KBMXLJTQSA-N 1 2 349.475 0.859 40 0 ECABLO CC(C)C(=O)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290047 438813761 /nfs/dbraw/zinc/81/37/61/438813761.db2.gz RYZQGBGWFBXDQD-DLBZAZTESA-N 1 2 344.459 0.569 40 0 biogenic,in-vitro ECABLO CC(C)C(=O)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290047 438813763 /nfs/dbraw/zinc/81/37/63/438813763.db2.gz RYZQGBGWFBXDQD-DLBZAZTESA-N 1 2 344.459 0.569 40 0 biogenic,in-vitro ECABLO Cn1c[nH+]c2c1C[C@@H](CO)N(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000585094586 439628366 /nfs/dbraw/zinc/62/83/66/439628366.db2.gz CKZSILGVESHPMI-NSHDSACASA-N 1 2 325.365 0.667 40 0 ECABLO COc1ccc2[nH]c(C[N@@H+]3C[C@@H](O)[C@H](NS(C)(=O)=O)C3)cc2c1 ZINC000585261119 439635850 /nfs/dbraw/zinc/63/58/50/439635850.db2.gz GCRBEMYDQOHUIN-HUUCEWRRSA-N 1 2 339.417 0.271 40 0 ECABLO COc1ccc2[nH]c(C[N@H+]3C[C@@H](O)[C@H](NS(C)(=O)=O)C3)cc2c1 ZINC000585261119 439635853 /nfs/dbraw/zinc/63/58/53/439635853.db2.gz GCRBEMYDQOHUIN-HUUCEWRRSA-N 1 2 339.417 0.271 40 0 ECABLO O=C(CCc1ccccc1)N1CC[C@](O)(Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000585290277 439641891 /nfs/dbraw/zinc/64/18/91/439641891.db2.gz PYVCUYKOLTUNFW-WMZOPIPTSA-N 1 2 329.400 0.840 40 0 ECABLO CCCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCO2)C1 ZINC000585096114 439627127 /nfs/dbraw/zinc/62/71/27/439627127.db2.gz RYZZXPDKQBOOFM-GFCCVEGCSA-N 1 2 328.394 0.144 40 0 ECABLO CN(C)C(=O)COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cnn(C)c1 ZINC000585094944 439627614 /nfs/dbraw/zinc/62/76/14/439627614.db2.gz VRAARCQLUBKSOW-CQSZACIVSA-N 1 2 346.435 0.185 40 0 ECABLO COc1ncccc1C(=O)N1CC[C@H](O)[C@@H](N2CC[NH+](C)CC2)CC1 ZINC000257242647 537152720 /nfs/dbraw/zinc/15/27/20/537152720.db2.gz IDLQTPXMHTTZBA-HOTGVXAUSA-N 1 2 348.447 0.303 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000072367373 216174478 /nfs/dbraw/zinc/17/44/78/216174478.db2.gz BALOXYQFSVZCAN-MRXNPFEDSA-N 1 2 346.431 0.054 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000072367373 216174479 /nfs/dbraw/zinc/17/44/79/216174479.db2.gz BALOXYQFSVZCAN-MRXNPFEDSA-N 1 2 346.431 0.054 40 0 ECABLO CCS(=O)(=O)Nc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000225969998 242083269 /nfs/dbraw/zinc/08/32/69/242083269.db2.gz SPSUTBPFGSEJRA-UHFFFAOYSA-N 1 2 341.433 0.510 40 0 ECABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3cccc(OC)c3F)C[C@@H]21 ZINC000257205122 244131251 /nfs/dbraw/zinc/13/12/51/244131251.db2.gz AXTISCZUGCIBJI-ZFWWWQNUSA-N 1 2 338.379 0.892 40 0 ECABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3cccc(OC)c3F)C[C@@H]21 ZINC000257205122 244131257 /nfs/dbraw/zinc/13/12/57/244131257.db2.gz AXTISCZUGCIBJI-ZFWWWQNUSA-N 1 2 338.379 0.892 40 0 ECABLO CN(C(=O)CNS(C)(=O)=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257224310 244195637 /nfs/dbraw/zinc/19/56/37/244195637.db2.gz FBGQYERBFOSXMS-GFCCVEGCSA-N 1 2 326.422 0.058 40 0 ECABLO Cc1cccc(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257229618 244210724 /nfs/dbraw/zinc/21/07/24/244210724.db2.gz FYUFAVJGTUPLMN-QGZVFWFLSA-N 1 2 327.388 0.860 40 0 ECABLO COCCn1cc(C(=O)N2CC[NH2+][C@H](C(N)=O)C2)c2ccccc21 ZINC000257269103 244369012 /nfs/dbraw/zinc/36/90/12/244369012.db2.gz MOOQKQFCKJLKDK-AWEZNQCLSA-N 1 2 330.388 0.187 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccnnc1 ZINC000257270040 244372620 /nfs/dbraw/zinc/37/26/20/244372620.db2.gz MSNRTIPELJRIKU-KRWDZBQOSA-N 1 2 327.388 0.975 40 0 ECABLO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCC2 ZINC000257274117 244386967 /nfs/dbraw/zinc/38/69/67/244386967.db2.gz NJQHUDKHPCEBDL-IIAWOOMASA-N 1 2 334.420 0.242 40 0 ECABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2ccnc(N3CCCC3)n2)CCO1 ZINC000019746812 212061284 /nfs/dbraw/zinc/06/12/84/212061284.db2.gz AYJDHBPFWGRJFK-QGZVFWFLSA-N 1 2 333.436 0.756 40 0 ECABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2ccnc(N3CCCC3)n2)CCO1 ZINC000019746812 212061282 /nfs/dbraw/zinc/06/12/82/212061282.db2.gz AYJDHBPFWGRJFK-QGZVFWFLSA-N 1 2 333.436 0.756 40 0 ECABLO COc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1 ZINC000010339066 211165777 /nfs/dbraw/zinc/16/57/77/211165777.db2.gz XCQBSNJUTZHBCZ-VIFPVBQESA-N 1 2 328.332 0.714 40 0 ECABLO Cc1cc(N2CCOCC2)nc(S[C@@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000005744159 435991818 /nfs/dbraw/zinc/99/18/18/435991818.db2.gz JJWVZHSZEZVJIG-LLVKDONJSA-N 1 2 329.447 0.901 40 0 ECABLO COCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC000096068139 436510318 /nfs/dbraw/zinc/51/03/18/436510318.db2.gz ZKQUZGVKLXTNBR-UHFFFAOYSA-N 1 2 346.387 0.618 40 0 ECABLO COCC[N@H+]1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC000096068139 436510320 /nfs/dbraw/zinc/51/03/20/436510320.db2.gz ZKQUZGVKLXTNBR-UHFFFAOYSA-N 1 2 346.387 0.618 40 0 ECABLO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)N1CCOCC1 ZINC000096220788 436524242 /nfs/dbraw/zinc/52/42/42/436524242.db2.gz FROCIPXWXOWLQH-MELADBBJSA-N 1 2 337.445 0.981 40 0 ECABLO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCOCC1 ZINC000096220788 436524244 /nfs/dbraw/zinc/52/42/44/436524244.db2.gz FROCIPXWXOWLQH-MELADBBJSA-N 1 2 337.445 0.981 40 0 ECABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230351 436761057 /nfs/dbraw/zinc/76/10/57/436761057.db2.gz PUWNMBHSJKJIDM-FLTUCWPJSA-N 1 2 346.383 0.979 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccn3C)C2)C[N@@H+]1CC1CC1 ZINC000248145480 436800382 /nfs/dbraw/zinc/80/03/82/436800382.db2.gz RQHQASVHYQMVDU-HNNXBMFYSA-N 1 2 346.431 0.077 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccn3C)C2)C[N@H+]1CC1CC1 ZINC000248145480 436800385 /nfs/dbraw/zinc/80/03/85/436800385.db2.gz RQHQASVHYQMVDU-HNNXBMFYSA-N 1 2 346.431 0.077 40 0 ECABLO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257290432 436863605 /nfs/dbraw/zinc/86/36/05/436863605.db2.gz QCXZWJWCPWFPPV-NQBHXWOUSA-N 1 2 325.394 0.050 40 0 ECABLO COCc1c(C)onc1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257288924 436864252 /nfs/dbraw/zinc/86/42/52/436864252.db2.gz PWGGNCLGNFUFMO-QGZVFWFLSA-N 1 2 346.387 0.896 40 0 ECABLO Cc1nc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)co1 ZINC000257306447 436868485 /nfs/dbraw/zinc/86/84/85/436868485.db2.gz SUIATJAIAJCUBB-MRXNPFEDSA-N 1 2 331.376 0.795 40 0 ECABLO CCn1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1C ZINC000257317379 436870993 /nfs/dbraw/zinc/87/09/93/436870993.db2.gz VJNQRANOPZBWGQ-YRGRVCCFSA-N 1 2 339.421 0.451 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccco3)C2)C[N@@H+]1CC1CC1 ZINC000585109355 439631225 /nfs/dbraw/zinc/63/12/25/439631225.db2.gz LSMMNRFFWJVHMM-CYBMUJFWSA-N 1 2 333.388 0.331 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccco3)C2)C[N@H+]1CC1CC1 ZINC000585109355 439631227 /nfs/dbraw/zinc/63/12/27/439631227.db2.gz LSMMNRFFWJVHMM-CYBMUJFWSA-N 1 2 333.388 0.331 40 0 ECABLO CCCn1cc[nH+]c1CN1CCO[C@](COC)(CC(=O)N(C)C)C1 ZINC000585276203 439637341 /nfs/dbraw/zinc/63/73/41/439637341.db2.gz DPHJIPOWNYRWJW-QGZVFWFLSA-N 1 2 338.452 0.989 40 0 ECABLO CO[C@@H]1CCN(C(=O)C[N@H+](C)Cc2cccnc2)C[C@H]1CC(N)=O ZINC000585276147 439637548 /nfs/dbraw/zinc/63/75/48/439637548.db2.gz MLXPUSSMRBHFJH-HUUCEWRRSA-N 1 2 334.420 0.252 40 0 ECABLO CO[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)C[C@H]1CC(N)=O ZINC000585276147 439637551 /nfs/dbraw/zinc/63/75/51/439637551.db2.gz MLXPUSSMRBHFJH-HUUCEWRRSA-N 1 2 334.420 0.252 40 0 ECABLO CO[C@]1(CCC(N)=O)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000585290991 439641220 /nfs/dbraw/zinc/64/12/20/439641220.db2.gz JXWSZWBGHNSFJK-WVMJFEGXSA-N 1 2 339.436 0.148 40 0 ECABLO C[C@@H](NC(=O)[C@H](O)C[NH+]1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000022342886 212291955 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ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160483 436517599 /nfs/dbraw/zinc/51/75/99/436517599.db2.gz KCEDKWSTPYQJTA-GDBMZVCRSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160483 436517603 /nfs/dbraw/zinc/51/76/03/436517603.db2.gz KCEDKWSTPYQJTA-GDBMZVCRSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160483 436517606 /nfs/dbraw/zinc/51/76/06/436517606.db2.gz KCEDKWSTPYQJTA-GDBMZVCRSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160482 436517627 /nfs/dbraw/zinc/51/76/27/436517627.db2.gz KCEDKWSTPYQJTA-ZBFHGGJFSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160482 436517631 /nfs/dbraw/zinc/51/76/31/436517631.db2.gz KCEDKWSTPYQJTA-ZBFHGGJFSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CC[C@H](Cn3cncn3)O2)C1 ZINC000096160482 436517633 /nfs/dbraw/zinc/51/76/33/436517633.db2.gz KCEDKWSTPYQJTA-ZBFHGGJFSA-N 1 2 332.408 0.462 40 0 ECABLO CN(C)C(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC000096073565 436509543 /nfs/dbraw/zinc/50/95/43/436509543.db2.gz DZNYVLMRRZUDFU-WMLDXEAASA-N 1 2 336.436 0.648 40 0 ECABLO CN(C)C(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC000096073565 436509547 /nfs/dbraw/zinc/50/95/47/436509547.db2.gz DZNYVLMRRZUDFU-WMLDXEAASA-N 1 2 336.436 0.648 40 0 ECABLO Cc1ccc(C(=O)N2CC[C@@]3(C2)CNC(=O)C[N@@H+]3CC2CC2)cn1 ZINC000096238272 436527302 /nfs/dbraw/zinc/52/73/02/436527302.db2.gz VDILKJQZLPIKNG-SFHVURJKSA-N 1 2 328.416 0.817 40 0 ECABLO Cc1ccc(C(=O)N2CC[C@@]3(C2)CNC(=O)C[N@H+]3CC2CC2)cn1 ZINC000096238272 436527304 /nfs/dbraw/zinc/52/73/04/436527304.db2.gz VDILKJQZLPIKNG-SFHVURJKSA-N 1 2 328.416 0.817 40 0 ECABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N(C)C)CS3)n(C)n1 ZINC000248047412 436799265 /nfs/dbraw/zinc/79/92/65/436799265.db2.gz WVXKRBJFKWCQNN-CQSZACIVSA-N 1 2 338.477 0.893 40 0 ECABLO CN(C(=O)Cn1cccnc1=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257336787 436874452 /nfs/dbraw/zinc/87/44/52/436874452.db2.gz YQAWHSCWECRYHB-AWEZNQCLSA-N 1 2 327.388 0.766 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccnnc3)C2)nc[nH+]1 ZINC000257304881 436865906 /nfs/dbraw/zinc/86/59/06/436865906.db2.gz SNMQWLCKZHKDOG-MRXNPFEDSA-N 1 2 328.376 0.336 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)CCc2c(C)noc2C)CC[N@@H+]1C(C)C ZINC000257311625 436867505 /nfs/dbraw/zinc/86/75/05/436867505.db2.gz UKIRLIUYXBLMCN-OAHLLOKOSA-N 1 2 336.436 0.891 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)CCc2c(C)noc2C)CC[N@H+]1C(C)C ZINC000257311625 436867511 /nfs/dbraw/zinc/86/75/11/436867511.db2.gz UKIRLIUYXBLMCN-OAHLLOKOSA-N 1 2 336.436 0.891 40 0 ECABLO CS(=O)(=O)N1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H](C(N)=O)C1 ZINC000257306363 436867909 /nfs/dbraw/zinc/86/79/09/436867909.db2.gz STZYYZRTQOGPHY-LLVKDONJSA-N 1 2 347.387 0.144 40 0 ECABLO CS(=O)(=O)N1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H](C(N)=O)C1 ZINC000257306363 436867914 /nfs/dbraw/zinc/86/79/14/436867914.db2.gz STZYYZRTQOGPHY-LLVKDONJSA-N 1 2 347.387 0.144 40 0 ECABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257305182 436868114 /nfs/dbraw/zinc/86/81/14/436868114.db2.gz SOTLMHGALQZUDH-KRWDZBQOSA-N 1 2 329.404 0.837 40 0 ECABLO Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)co1 ZINC000257306446 436868600 /nfs/dbraw/zinc/86/86/00/436868600.db2.gz SUIATJAIAJCUBB-INIZCTEOSA-N 1 2 331.376 0.795 40 0 ECABLO Cn1nccc1CCC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257305938 436868886 /nfs/dbraw/zinc/86/88/86/436868886.db2.gz SSEBGPVFAASROV-SFHVURJKSA-N 1 2 343.431 0.895 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cnn(C)c3)CC[N@@H+]2C)c1 ZINC000257311582 436868981 /nfs/dbraw/zinc/86/89/81/436868981.db2.gz UKEVJHHNSOVWGU-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cnn(C)c3)CC[N@H+]2C)c1 ZINC000257311582 436868983 /nfs/dbraw/zinc/86/89/83/436868983.db2.gz UKEVJHHNSOVWGU-INIZCTEOSA-N 1 2 341.415 0.909 40 0 ECABLO CNc1cc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257320347 436871232 /nfs/dbraw/zinc/87/12/32/436871232.db2.gz VWJWLJHEDUKGTM-AWEZNQCLSA-N 1 2 340.449 0.880 40 0 ECABLO COc1ccccc1[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000257336028 436874121 /nfs/dbraw/zinc/87/41/21/436874121.db2.gz YMVQTWYPEWVSRW-INIZCTEOSA-N 1 2 333.432 0.843 40 0 ECABLO COc1ccccc1[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000257336028 436874125 /nfs/dbraw/zinc/87/41/25/436874125.db2.gz YMVQTWYPEWVSRW-INIZCTEOSA-N 1 2 333.432 0.843 40 0 ECABLO CCn1cc(C[N@H+]2Cc3ccnn3[C@H](C(=O)NCCOC)C2)cn1 ZINC000306129653 437166242 /nfs/dbraw/zinc/16/62/42/437166242.db2.gz IJALNODIGWQHIZ-HNNXBMFYSA-N 1 2 332.408 0.419 40 0 ECABLO CCn1cc(C[N@@H+]2Cc3ccnn3[C@H](C(=O)NCCOC)C2)cn1 ZINC000306129653 437166249 /nfs/dbraw/zinc/16/62/49/437166249.db2.gz IJALNODIGWQHIZ-HNNXBMFYSA-N 1 2 332.408 0.419 40 0 ECABLO CC(C)Nc1nc(NCC[NH+]2CCOCC2)cc(C(F)(F)F)n1 ZINC000329063963 437312218 /nfs/dbraw/zinc/31/22/18/437312218.db2.gz 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CCOc1ccccc1CN1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585291496 439641860 /nfs/dbraw/zinc/64/18/60/439641860.db2.gz PINYIGFDPPGXNC-NUJGCVRESA-N 1 2 336.432 0.324 40 0 ECABLO CCOc1ccccc1C[NH+]1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585291496 439641862 /nfs/dbraw/zinc/64/18/62/439641862.db2.gz PINYIGFDPPGXNC-NUJGCVRESA-N 1 2 336.432 0.324 40 0 ECABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000585096126 439627932 /nfs/dbraw/zinc/62/79/32/439627932.db2.gz SSNNHJCYGZHMHV-AWEZNQCLSA-N 1 2 349.416 0.301 40 0 ECABLO Cc1c(CN2Cc3ncn(C)c3C[C@@H]2C[NH+]2CCOCC2)cnn1C ZINC000585094838 439627998 /nfs/dbraw/zinc/62/79/98/439627998.db2.gz PAQOTMOWZOHVIR-MRXNPFEDSA-N 1 2 344.463 0.721 40 0 ECABLO CCS(=O)(=O)NC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000253493156 535673943 /nfs/dbraw/zinc/67/39/43/535673943.db2.gz SJQMRJKSPGCCHJ-AWEZNQCLSA-N 1 2 328.438 0.358 40 0 ECABLO CCS(=O)(=O)NC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000253493156 535673948 /nfs/dbraw/zinc/67/39/48/535673948.db2.gz SJQMRJKSPGCCHJ-AWEZNQCLSA-N 1 2 328.438 0.358 40 0 ECABLO CN(C)S(=O)(=O)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000097953513 219063610 /nfs/dbraw/zinc/06/36/10/219063610.db2.gz OLQYZZNMBZRFER-GUTXKFCHSA-N 1 2 340.449 0.779 40 0 ECABLO CCCn1cc[nH+]c1CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 ZINC000257205592 244131997 /nfs/dbraw/zinc/13/19/97/244131997.db2.gz AZTYRXVTILDPMT-HUUCEWRRSA-N 1 2 329.404 0.663 40 0 ECABLO CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000257200273 244118131 /nfs/dbraw/zinc/11/81/31/244118131.db2.gz ACRQWTOSUPINTF-QGZVFWFLSA-N 1 2 343.387 0.587 40 0 ECABLO C[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2O)CC1 ZINC000257201198 244120376 /nfs/dbraw/zinc/12/03/76/244120376.db2.gz AGSSEAFNMGFMBM-HOTGVXAUSA-N 1 2 347.463 0.111 40 0 ECABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257216968 244172215 /nfs/dbraw/zinc/17/22/15/244172215.db2.gz CWXIQCLQFUHJAZ-ZDUSSCGKSA-N 1 2 328.438 0.485 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257243264 244249732 /nfs/dbraw/zinc/24/97/32/244249732.db2.gz IGDKBZSIOVBIKS-KRWDZBQOSA-N 1 2 344.419 0.618 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257243264 244249736 /nfs/dbraw/zinc/24/97/36/244249736.db2.gz IGDKBZSIOVBIKS-KRWDZBQOSA-N 1 2 344.419 0.618 40 0 ECABLO CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257234293 244222659 /nfs/dbraw/zinc/22/26/59/244222659.db2.gz GSWYAPFUXQKBRH-QGZVFWFLSA-N 1 2 344.419 0.553 40 0 ECABLO CN([C@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)N1CCOCC1 ZINC000257259292 244290875 /nfs/dbraw/zinc/29/08/75/244290875.db2.gz KXRQYCNOCCHLBN-AWEZNQCLSA-N 1 2 340.449 0.559 40 0 ECABLO C[C@@H](CNC(=O)COCc1nc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000019714090 212057710 /nfs/dbraw/zinc/05/77/10/212057710.db2.gz CLOHPNNSSRPRFO-ZDUSSCGKSA-N 1 2 332.404 0.916 40 0 ECABLO CCOC(=O)Cn1c2ccccc2n(CC[NH+]2CCOCC2)c1=N ZINC000005796338 435995309 /nfs/dbraw/zinc/99/53/09/435995309.db2.gz PYMHAQFIFZURJT-UHFFFAOYSA-N 1 2 332.404 0.818 40 0 ECABLO CCC(=O)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019499291 436108383 /nfs/dbraw/zinc/10/83/83/436108383.db2.gz IGDRRYZEDOALOH-UHFFFAOYSA-N 1 2 333.436 0.982 40 0 ECABLO Cn1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(C)c1=O ZINC000026771516 436166558 /nfs/dbraw/zinc/16/65/58/436166558.db2.gz PXNLMHCHVRNEPI-AWEZNQCLSA-N 1 2 326.356 0.506 40 0 ECABLO O=C(c1ccc[nH]1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197583 436520597 /nfs/dbraw/zinc/52/05/97/436520597.db2.gz ALTFSTDSMYWJLA-UHFFFAOYSA-N 1 2 338.371 0.862 40 0 ECABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188742 436521468 /nfs/dbraw/zinc/52/14/68/436521468.db2.gz VCMVEJXAGSTBSZ-CQSZACIVSA-N 1 2 327.388 0.899 40 0 ECABLO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096208581 436522579 /nfs/dbraw/zinc/52/25/79/436522579.db2.gz JOVDGRJVEFAWGN-ZIAGYGMSSA-N 1 2 347.444 0.850 40 0 ECABLO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096208581 436522583 /nfs/dbraw/zinc/52/25/83/436522583.db2.gz JOVDGRJVEFAWGN-ZIAGYGMSSA-N 1 2 347.444 0.850 40 0 ECABLO O=C(c1ccncn1)N1C[C@@H]([NH+]2CCOCC2)[C@H]2OCCC[C@H]2C1 ZINC000096040620 436505596 /nfs/dbraw/zinc/50/55/96/436505596.db2.gz SBJNCEXSWOCTTP-IMJJTQAJSA-N 1 2 332.404 0.428 40 0 ECABLO COC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2[nH+]cn(C)c21 ZINC000096044765 436505606 /nfs/dbraw/zinc/50/56/06/436505606.db2.gz SMSFFLXZLHELBI-SNVBAGLBSA-N 1 2 325.394 0.088 40 0 ECABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2cnn(C)c2)CCO3)o1 ZINC000096049194 436507414 /nfs/dbraw/zinc/50/74/14/436507414.db2.gz ZZKFIUAJORUSAL-MRXNPFEDSA-N 1 2 332.408 0.983 40 0 ECABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cnn(C)c2)CCO3)o1 ZINC000096049194 436507417 /nfs/dbraw/zinc/50/74/17/436507417.db2.gz ZZKFIUAJORUSAL-MRXNPFEDSA-N 1 2 332.408 0.983 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096202296 436523425 /nfs/dbraw/zinc/52/34/25/436523425.db2.gz HCFRVCNSHAUYIC-KRWDZBQOSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096202296 436523428 /nfs/dbraw/zinc/52/34/28/436523428.db2.gz HCFRVCNSHAUYIC-KRWDZBQOSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096202296 436523430 /nfs/dbraw/zinc/52/34/30/436523430.db2.gz HCFRVCNSHAUYIC-KRWDZBQOSA-N 1 2 328.420 0.939 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1c[nH]cn1)CC2 ZINC000096230132 436526959 /nfs/dbraw/zinc/52/69/59/436526959.db2.gz CMGDWMAXMSAMNW-UHFFFAOYSA-N 1 2 331.420 0.569 40 0 ECABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1c[nH]cn1)CC2 ZINC000096230132 436526964 /nfs/dbraw/zinc/52/69/64/436526964.db2.gz CMGDWMAXMSAMNW-UHFFFAOYSA-N 1 2 331.420 0.569 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1cnc[nH]1)CC2 ZINC000096230132 436526968 /nfs/dbraw/zinc/52/69/68/436526968.db2.gz CMGDWMAXMSAMNW-UHFFFAOYSA-N 1 2 331.420 0.569 40 0 ECABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1cnc[nH]1)CC2 ZINC000096230132 436526973 /nfs/dbraw/zinc/52/69/73/436526973.db2.gz CMGDWMAXMSAMNW-UHFFFAOYSA-N 1 2 331.420 0.569 40 0 ECABLO COCCNC(=O)[C@H]1CN(Cc2csc(C)n2)Cc2c[nH+]cn21 ZINC000247925257 436797858 /nfs/dbraw/zinc/79/78/58/436797858.db2.gz ATEDNGPGSLDUOA-CQSZACIVSA-N 1 2 335.433 0.968 40 0 ECABLO COC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248143386 436800204 /nfs/dbraw/zinc/80/02/04/436800204.db2.gz RBSJXQHSCBQVDP-CYBMUJFWSA-N 1 2 325.434 0.813 40 0 ECABLO COC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248143386 436800206 /nfs/dbraw/zinc/80/02/06/436800206.db2.gz RBSJXQHSCBQVDP-CYBMUJFWSA-N 1 2 325.434 0.813 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257292696 436864465 /nfs/dbraw/zinc/86/44/65/436864465.db2.gz QMPGAQZLHMZEPH-INIZCTEOSA-N 1 2 330.392 0.211 40 0 ECABLO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257297756 436866296 /nfs/dbraw/zinc/86/62/96/436866296.db2.gz RIRTZCZCXOZFJW-KRWDZBQOSA-N 1 2 344.419 0.588 40 0 ECABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000257322831 436871187 /nfs/dbraw/zinc/87/11/87/436871187.db2.gz WHOWFLUABXSJFM-INIZCTEOSA-N 1 2 347.419 0.108 40 0 ECABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000257322831 436871190 /nfs/dbraw/zinc/87/11/90/436871190.db2.gz WHOWFLUABXSJFM-INIZCTEOSA-N 1 2 347.419 0.108 40 0 ECABLO CCS(=O)(=O)NC[C@@H]1CN(c2ncc(F)cn2)Cc2c[nH+]cn21 ZINC000306142079 437167200 /nfs/dbraw/zinc/16/72/00/437167200.db2.gz WOVNUBZQLSDEHQ-GFCCVEGCSA-N 1 2 340.384 0.313 40 0 ECABLO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)s1 ZINC000306143504 437167863 /nfs/dbraw/zinc/16/78/63/437167863.db2.gz YDVDCHXLHAYLGN-OAHLLOKOSA-N 1 2 334.401 0.476 40 0 ECABLO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)s1 ZINC000306143504 437167865 /nfs/dbraw/zinc/16/78/65/437167865.db2.gz YDVDCHXLHAYLGN-OAHLLOKOSA-N 1 2 334.401 0.476 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@H]2CN(c3ncccn3)CCO[C@H]2C1 ZINC000306137927 437168023 /nfs/dbraw/zinc/16/80/23/437168023.db2.gz RKEJYECBLUATDH-GJZGRUSLSA-N 1 2 328.420 0.937 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@H]2CN(c3ncccn3)CCO[C@H]2C1 ZINC000306137927 437168027 /nfs/dbraw/zinc/16/80/27/437168027.db2.gz RKEJYECBLUATDH-GJZGRUSLSA-N 1 2 328.420 0.937 40 0 ECABLO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332842466 437251738 /nfs/dbraw/zinc/25/17/38/437251738.db2.gz DLPUWMPMVWAEKX-QWRGUYRKSA-N 1 2 326.422 0.486 40 0 ECABLO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332842466 437251740 /nfs/dbraw/zinc/25/17/40/437251740.db2.gz DLPUWMPMVWAEKX-QWRGUYRKSA-N 1 2 326.422 0.486 40 0 ECABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000585096207 439627282 /nfs/dbraw/zinc/62/72/82/439627282.db2.gz ZGMZRIAAEUDBBN-DAXOMENPSA-N 1 2 346.431 0.965 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCC(=O)N(C)C)no1 ZINC000585094720 439627874 /nfs/dbraw/zinc/62/78/74/439627874.db2.gz JAABIQIEIFYLGM-CQSZACIVSA-N 1 2 347.419 0.748 40 0 ECABLO CC(=O)NCC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257214512 534316517 /nfs/dbraw/zinc/31/65/17/534316517.db2.gz CMGXWARMMLOKRK-KRWDZBQOSA-N 1 2 346.431 0.713 40 0 ECABLO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)o1 ZINC000257221264 534951539 /nfs/dbraw/zinc/95/15/39/534951539.db2.gz DOFBEBKPAQPZOO-GFCCVEGCSA-N 1 2 337.424 0.356 40 0 ECABLO CC(C)c1nnc(CCC(=O)N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)o1 ZINC000257221264 534951554 /nfs/dbraw/zinc/95/15/54/534951554.db2.gz DOFBEBKPAQPZOO-GFCCVEGCSA-N 1 2 337.424 0.356 40 0 ECABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000067897639 215245231 /nfs/dbraw/zinc/24/52/31/215245231.db2.gz PGHQVYRAQUAOOQ-CABCVRRESA-N 1 2 346.431 0.939 40 0 biogenic,in-vitro ECABLO O=C(C[NH+]1CCC(n2nnn(C3CC3)c2=O)CC1)NC1CCCCC1 ZINC000072335777 216156929 /nfs/dbraw/zinc/15/69/29/216156929.db2.gz VRWZEKDGGTYTKL-UHFFFAOYSA-N 1 2 348.451 0.861 40 0 ECABLO CNc1cccc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)[nH+]1 ZINC000072368854 216176228 /nfs/dbraw/zinc/17/62/28/216176228.db2.gz NAGZZSASAGFSCA-UHFFFAOYSA-N 1 2 340.449 0.880 40 0 ECABLO Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC000072366987 216173594 /nfs/dbraw/zinc/17/35/94/216173594.db2.gz ZRGTTXZGLJTOGU-HNNXBMFYSA-N 1 2 333.436 0.818 40 0 ECABLO Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC000072366987 216173598 /nfs/dbraw/zinc/17/35/98/216173598.db2.gz ZRGTTXZGLJTOGU-HNNXBMFYSA-N 1 2 333.436 0.818 40 0 ECABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000257203171 244123647 /nfs/dbraw/zinc/12/36/47/244123647.db2.gz AOXWCNIJIHQBOV-NSHDSACASA-N 1 2 333.392 0.755 40 0 ECABLO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 ZINC000257204079 244127897 /nfs/dbraw/zinc/12/78/97/244127897.db2.gz ASZBUVMKWLBMIF-CYBMUJFWSA-N 1 2 344.419 0.821 40 0 ECABLO O=C(c1cnccn1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096066979 284750994 /nfs/dbraw/zinc/75/09/94/284750994.db2.gz KCSFACNNDGKGLU-ZDUSSCGKSA-N 1 2 340.387 0.568 40 0 ECABLO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ncc[nH]2)[C@@H]1O)Nc1ccccc1 ZINC000077265166 436229193 /nfs/dbraw/zinc/22/91/93/436229193.db2.gz XVXXSCAEQATGNN-NFAWXSAZSA-N 1 2 331.376 0.449 40 0 biogenic,in-vitro ECABLO O=S(=O)(C1CC1)N1C[C@@H]2C[N@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108200 436513845 /nfs/dbraw/zinc/51/38/45/436513845.db2.gz YDIBXRYIRJFXKQ-DZGCQCFKSA-N 1 2 326.418 0.904 40 0 ECABLO O=S(=O)(C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108200 436513847 /nfs/dbraw/zinc/51/38/47/436513847.db2.gz YDIBXRYIRJFXKQ-DZGCQCFKSA-N 1 2 326.418 0.904 40 0 ECABLO Cc1cncc(C(=O)N2CCc3[nH+]cc(Cn4cncn4)n3CC2)c1 ZINC000096197000 436521546 /nfs/dbraw/zinc/52/15/46/436521546.db2.gz QLLHMMAVISPMHQ-UHFFFAOYSA-N 1 2 337.387 0.925 40 0 ECABLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096076392 436509672 /nfs/dbraw/zinc/50/96/72/436509672.db2.gz AGKHXDNEUOYLDY-SFHVURJKSA-N 1 2 346.431 0.382 40 0 ECABLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096076392 436509677 /nfs/dbraw/zinc/50/96/77/436509677.db2.gz AGKHXDNEUOYLDY-SFHVURJKSA-N 1 2 346.431 0.382 40 0 ECABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096112976 436513078 /nfs/dbraw/zinc/51/30/78/436513078.db2.gz RKXIPTICWRAYSE-JKSUJKDBSA-N 1 2 331.416 0.797 40 0 biogenic,in-vitro ECABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096112976 436513083 /nfs/dbraw/zinc/51/30/83/436513083.db2.gz RKXIPTICWRAYSE-JKSUJKDBSA-N 1 2 331.416 0.797 40 0 biogenic,in-vitro ECABLO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1nccs1)C2 ZINC000096108371 436513313 /nfs/dbraw/zinc/51/33/13/436513313.db2.gz LAJVVUKMBRVDHR-YPMHNXCESA-N 1 2 331.463 0.531 40 0 ECABLO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1nccs1)C2 ZINC000096108371 436513316 /nfs/dbraw/zinc/51/33/16/436513316.db2.gz LAJVVUKMBRVDHR-YPMHNXCESA-N 1 2 331.463 0.531 40 0 ECABLO CNC(=O)c1cc2c([nH+]c1N(C)C)CCN(c1ncccn1)CC2 ZINC000096260313 436529272 /nfs/dbraw/zinc/52/92/72/436529272.db2.gz OAJUHVOYJRJPLS-UHFFFAOYSA-N 1 2 326.404 0.902 40 0 ECABLO CCC(=O)Nc1nnc(S(=O)(=O)NCCCn2cc[nH+]c2)s1 ZINC000223308777 436704880 /nfs/dbraw/zinc/70/48/80/436704880.db2.gz KOLGLNCSMRFWIP-UHFFFAOYSA-N 1 2 344.422 0.452 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CN2CCOCC2)CC[N@@H+]1C ZINC000257206007 436859512 /nfs/dbraw/zinc/85/95/12/436859512.db2.gz BBLRVPOJPABSDJ-MRXNPFEDSA-N 1 2 333.432 0.843 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)CN2CCOCC2)CC[N@H+]1C ZINC000257206007 436859516 /nfs/dbraw/zinc/85/95/16/436859516.db2.gz BBLRVPOJPABSDJ-MRXNPFEDSA-N 1 2 333.432 0.843 40 0 ECABLO CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000257281934 436862257 /nfs/dbraw/zinc/86/22/57/436862257.db2.gz OROHXLZPJQTSPL-INIZCTEOSA-N 1 2 334.420 0.495 40 0 ECABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000257293119 436862997 /nfs/dbraw/zinc/86/29/97/436862997.db2.gz QOERWMHQBYJFLF-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO CC(C)[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1C(N)=O ZINC000257326889 436871992 /nfs/dbraw/zinc/87/19/92/436871992.db2.gz WZAJQCOKNSGOMM-HNNXBMFYSA-N 1 2 343.431 0.902 40 0 ECABLO CC(C)[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1C(N)=O ZINC000257326889 436871997 /nfs/dbraw/zinc/87/19/97/436871997.db2.gz WZAJQCOKNSGOMM-HNNXBMFYSA-N 1 2 343.431 0.902 40 0 ECABLO CCc1noc(CCC(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257327884 436872337 /nfs/dbraw/zinc/87/23/37/436872337.db2.gz XDDJLYXCNWZTKA-QGZVFWFLSA-N 1 2 345.403 0.717 40 0 ECABLO Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(Cc3ncccc3F)C1)O2 ZINC000257332249 436872560 /nfs/dbraw/zinc/87/25/60/436872560.db2.gz XWLCKLWIEHQFMU-INIZCTEOSA-N 1 2 346.366 0.381 40 0 ECABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000257324374 436873231 /nfs/dbraw/zinc/87/32/31/436873231.db2.gz WOLBUTSLHYTJEJ-GOSISDBHSA-N 1 2 344.415 0.891 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)c2ccccc2Cn2cccn2)CC[NH2+]1 ZINC000257342325 436874026 /nfs/dbraw/zinc/87/40/26/436874026.db2.gz ZODOSGMDZHUFGB-OAHLLOKOSA-N 1 2 327.388 0.091 40 0 ECABLO Cc1ncoc1C(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257341238 436875576 /nfs/dbraw/zinc/87/55/76/436875576.db2.gz ZJMBRODATNHFOK-MRXNPFEDSA-N 1 2 331.376 0.795 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)CN3CCOCC3)CC[N@@H+]2C)cc1 ZINC000257337915 436875602 /nfs/dbraw/zinc/87/56/02/436875602.db2.gz YUZZBUKDOALGST-KRWDZBQOSA-N 1 2 333.432 0.843 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)CN3CCOCC3)CC[N@H+]2C)cc1 ZINC000257337915 436875606 /nfs/dbraw/zinc/87/56/06/436875606.db2.gz YUZZBUKDOALGST-KRWDZBQOSA-N 1 2 333.432 0.843 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1CN(Cc2nccs2)Cc2c[nH+]cn21 ZINC000306125105 437164373 /nfs/dbraw/zinc/16/43/73/437164373.db2.gz CHBOQNOPTIYVGV-LLVKDONJSA-N 1 2 341.462 0.836 40 0 ECABLO CS(=O)(=O)NC[C@@H]1CN(Cc2nccs2)Cc2c[nH+]cn21 ZINC000306131068 437168065 /nfs/dbraw/zinc/16/80/65/437168065.db2.gz JVRQGWXNAOJCON-LLVKDONJSA-N 1 2 327.435 0.446 40 0 ECABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000585105265 439630002 /nfs/dbraw/zinc/63/00/02/439630002.db2.gz RRZQSHCEHDUDII-ZDUSSCGKSA-N 1 2 325.434 0.612 40 0 ECABLO Cn1c[nH+]c(CN2CCOC[C@@H]2c2n[nH]cc2S(C)(=O)=O)c1 ZINC000257230530 244210273 /nfs/dbraw/zinc/21/02/73/244210273.db2.gz GCSZMJZAOFKQRE-LLVKDONJSA-N 1 2 325.394 0.120 40 0 ECABLO Cc1nn(C)cc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257262978 244352555 /nfs/dbraw/zinc/35/25/55/244352555.db2.gz LNVUMNMBEQCUIY-QGZVFWFLSA-N 1 2 329.404 0.885 40 0 ECABLO Cc1noc2nc(C)cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)c12 ZINC000257325159 244529964 /nfs/dbraw/zinc/52/99/64/244529964.db2.gz WRSFVJMVTSHCOS-ZIAGYGMSSA-N 1 2 346.387 0.357 40 0 ECABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000257329512 244545057 /nfs/dbraw/zinc/54/50/57/244545057.db2.gz XKHCJDRBNDBWHL-LBPRGKRZSA-N 1 2 347.419 0.765 40 0 ECABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccnn3)C2)nc[nH+]1 ZINC000257286127 291940067 /nfs/dbraw/zinc/94/00/67/291940067.db2.gz PKKHSPAOSWUHIP-MRXNPFEDSA-N 1 2 328.376 0.288 40 0 ECABLO Cn1c2nnc(C[N@@H+]3CCc4n[nH]cc4C3)n2c2ccsc2c1=O ZINC000118853777 221196867 /nfs/dbraw/zinc/19/68/67/221196867.db2.gz RAMSFAOYKJEYBU-UHFFFAOYSA-N 1 2 341.400 0.924 40 0 ECABLO Cn1c2nnc(C[N@H+]3CCc4n[nH]cc4C3)n2c2ccsc2c1=O ZINC000118853777 221196868 /nfs/dbraw/zinc/19/68/68/221196868.db2.gz RAMSFAOYKJEYBU-UHFFFAOYSA-N 1 2 341.400 0.924 40 0 ECABLO COCCNC(=O)[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000306126380 257918767 /nfs/dbraw/zinc/91/87/67/257918767.db2.gz DUBGKXAPGYZPFI-HNNXBMFYSA-N 1 2 345.447 0.925 40 0 ECABLO COCCNC(=O)[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306126380 257918769 /nfs/dbraw/zinc/91/87/69/257918769.db2.gz DUBGKXAPGYZPFI-HNNXBMFYSA-N 1 2 345.447 0.925 40 0 ECABLO O=C([C@H]1CCOC1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188475 304446960 /nfs/dbraw/zinc/44/69/60/304446960.db2.gz QXRARMBDCWPXHJ-KGLIPLIRSA-N 1 2 332.404 0.500 40 0 ECABLO Cn1cccc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCOCC1 ZINC000096183958 294378842 /nfs/dbraw/zinc/37/88/42/294378842.db2.gz AJZZSAKCTMBUAN-ZBFHGGJFSA-N 1 2 346.431 0.173 40 0 ECABLO COc1ccc(Cn2nnnc2C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000410704 435954859 /nfs/dbraw/zinc/95/48/59/435954859.db2.gz KTKJXZAXTIYNBX-UHFFFAOYSA-N 1 2 330.392 0.427 40 0 ECABLO COc1cc(C(=S)N2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000013547787 436062131 /nfs/dbraw/zinc/06/21/31/436062131.db2.gz KAAHKVWWCVDLOW-UHFFFAOYSA-N 1 2 340.445 0.998 40 0 ECABLO COCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000096200871 436522981 /nfs/dbraw/zinc/52/29/81/436522981.db2.gz BVTSQSJJWFXCQR-SJORKVTESA-N 1 2 333.432 0.962 40 0 ECABLO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cc(C)on1)C2 ZINC000096108379 436513458 /nfs/dbraw/zinc/51/34/58/436513458.db2.gz WLSIDJUSYZHAMT-OCCSQVGLSA-N 1 2 329.422 0.371 40 0 ECABLO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1cc(C)on1)C2 ZINC000096108379 436513462 /nfs/dbraw/zinc/51/34/62/436513462.db2.gz WLSIDJUSYZHAMT-OCCSQVGLSA-N 1 2 329.422 0.371 40 0 ECABLO CC(C)COC[C@@H]1Cn2c[nH+]cc2CN(S(=O)(=O)N(C)C)C1 ZINC000096209736 436525093 /nfs/dbraw/zinc/52/50/93/436525093.db2.gz ZKSTVIFDIZUTNP-CYBMUJFWSA-N 1 2 330.454 0.794 40 0 ECABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)C1CC1)CC2 ZINC000096254929 436529166 /nfs/dbraw/zinc/52/91/66/436529166.db2.gz NKPNNSVEYDNESU-UHFFFAOYSA-N 1 2 345.447 0.716 40 0 ECABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000107264219 436608845 /nfs/dbraw/zinc/60/88/45/436608845.db2.gz IKZWQVYRXLWACX-IIAWOOMASA-N 1 2 335.404 0.740 40 0 ECABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000107264219 436608849 /nfs/dbraw/zinc/60/88/49/436608849.db2.gz IKZWQVYRXLWACX-IIAWOOMASA-N 1 2 335.404 0.740 40 0 ECABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccnc(C)n3)C2)nc[nH+]1 ZINC000257219037 436860359 /nfs/dbraw/zinc/86/03/59/436860359.db2.gz DFJCIMTZYBJNMT-QGZVFWFLSA-N 1 2 342.403 0.597 40 0 ECABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1O)c1cnccn1 ZINC000257284375 436860997 /nfs/dbraw/zinc/86/09/97/436860997.db2.gz PCKZYTDVMUBCPX-QZTJIDSGSA-N 1 2 349.394 1.000 40 0 ECABLO O=C(N[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1O)c1cnccn1 ZINC000257284375 436861003 /nfs/dbraw/zinc/86/10/03/436861003.db2.gz PCKZYTDVMUBCPX-QZTJIDSGSA-N 1 2 349.394 1.000 40 0 ECABLO O=C(N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O)c1cc2c(s1)CCC2 ZINC000257338263 436874821 /nfs/dbraw/zinc/87/48/21/436874821.db2.gz YWQOQWKJWFDZEO-XHBSWPGZSA-N 1 2 349.456 0.290 40 0 ECABLO O=C(N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O)c1cc2c(s1)CCC2 ZINC000257338263 436874824 /nfs/dbraw/zinc/87/48/24/436874824.db2.gz YWQOQWKJWFDZEO-XHBSWPGZSA-N 1 2 349.456 0.290 40 0 ECABLO O=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257328467 436872489 /nfs/dbraw/zinc/87/24/89/436872489.db2.gz XFTCUYWQBOEWNX-QZTJIDSGSA-N 1 2 345.443 0.343 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@H]2C1 ZINC000306137926 437167619 /nfs/dbraw/zinc/16/76/19/437167619.db2.gz RKEJYECBLUATDH-CABCVRRESA-N 1 2 328.420 0.937 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@H]2C1 ZINC000306137926 437167623 /nfs/dbraw/zinc/16/76/23/437167623.db2.gz RKEJYECBLUATDH-CABCVRRESA-N 1 2 328.420 0.937 40 0 ECABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CC3)C2)n(C)n1 ZINC000306138522 437168748 /nfs/dbraw/zinc/16/87/48/437168748.db2.gz RZQPELXKXSHLAG-AWEZNQCLSA-N 1 2 328.420 0.840 40 0 ECABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CC3)C2)n(C)n1 ZINC000306138522 437168752 /nfs/dbraw/zinc/16/87/52/437168752.db2.gz RZQPELXKXSHLAG-AWEZNQCLSA-N 1 2 328.420 0.840 40 0 ECABLO CCNc1nc(NCC[NH+]2CCN(C)CC2)cc(-c2ccccn2)n1 ZINC000329061268 437310894 /nfs/dbraw/zinc/31/08/94/437310894.db2.gz WPZJBDFQFDJVMT-UHFFFAOYSA-N 1 2 341.463 0.474 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CNc1ncccn1)N(S(=O)(=O)C1CC1)C2 ZINC000585094983 439628225 /nfs/dbraw/zinc/62/82/25/439628225.db2.gz YFHMRNZHQCCWBJ-LLVKDONJSA-N 1 2 348.432 0.541 40 0 ECABLO COCCNC(=O)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585095835 439627745 /nfs/dbraw/zinc/62/77/45/439627745.db2.gz OKFNHRMHZNAXKQ-OAHLLOKOSA-N 1 2 344.371 0.548 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)COc2ccccc2F)CC[N@@H+]1C(C)C ZINC000257252847 536396021 /nfs/dbraw/zinc/39/60/21/536396021.db2.gz JWHXNMOBIMHQPF-CQSZACIVSA-N 1 2 337.395 0.872 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)COc2ccccc2F)CC[N@H+]1C(C)C ZINC000257252847 536396024 /nfs/dbraw/zinc/39/60/24/536396024.db2.gz JWHXNMOBIMHQPF-CQSZACIVSA-N 1 2 337.395 0.872 40 0 ECABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(C)s1 ZINC000035784227 213049447 /nfs/dbraw/zinc/04/94/47/213049447.db2.gz XKKHDTQYRURQDB-UHFFFAOYSA-N 1 2 331.463 0.742 40 0 ECABLO O=C(CN1CCOCC1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378539 216182100 /nfs/dbraw/zinc/18/21/00/216182100.db2.gz UHGGFZAPPYVXQJ-HNNXBMFYSA-N 1 2 342.403 0.658 40 0 ECABLO O=S(=O)(N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1ccccc1 ZINC000257233081 244219324 /nfs/dbraw/zinc/21/93/24/244219324.db2.gz GNRHQPQUWFAFEV-BZUAXINKSA-N 1 2 340.445 0.579 40 0 ECABLO CCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257253176 244272396 /nfs/dbraw/zinc/27/23/96/244272396.db2.gz JXVMAIWQTDOUSW-HZPDHXFCSA-N 1 2 334.420 0.298 40 0 ECABLO O=C(c1nccc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257253791 244276075 /nfs/dbraw/zinc/27/60/75/244276075.db2.gz KAHWADUDXWDWIY-HZPDHXFCSA-N 1 2 327.384 0.752 40 0 ECABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257271711 244381158 /nfs/dbraw/zinc/38/11/58/244381158.db2.gz MZLOYRRTQIRRMB-NSHDSACASA-N 1 2 337.405 0.416 40 0 ECABLO CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257271711 244381169 /nfs/dbraw/zinc/38/11/69/244381169.db2.gz MZLOYRRTQIRRMB-NSHDSACASA-N 1 2 337.405 0.416 40 0 ECABLO CC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)o1 ZINC000257273362 244385036 /nfs/dbraw/zinc/38/50/36/244385036.db2.gz NGFTXRATSYUDPC-CHWSQXEVSA-N 1 2 338.408 0.030 40 0 ECABLO OCCNc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329021230 257904928 /nfs/dbraw/zinc/90/49/28/257904928.db2.gz OFDLBYRSOYDHKY-UHFFFAOYSA-N 1 2 336.399 0.836 40 0 ECABLO CS(=O)(=O)NCC[C@H]1CN(Cc2nccs2)Cc2c[nH+]cn21 ZINC000306125106 257917887 /nfs/dbraw/zinc/91/78/87/257917887.db2.gz CHBOQNOPTIYVGV-NSHDSACASA-N 1 2 341.462 0.836 40 0 ECABLO NS(=O)(=O)c1ccc(CNC(=S)NCCc2c[nH+]c[nH]2)cc1 ZINC000006829084 436004666 /nfs/dbraw/zinc/00/46/66/436004666.db2.gz BZNNLNQIFLQLGD-UHFFFAOYSA-N 1 2 339.446 0.264 40 0 ECABLO NS(=O)(=O)c1ccc(CNC(=S)NCCc2c[nH]c[nH+]2)cc1 ZINC000006829084 436004674 /nfs/dbraw/zinc/00/46/74/436004674.db2.gz BZNNLNQIFLQLGD-UHFFFAOYSA-N 1 2 339.446 0.264 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2[N@@H+]1C ZINC000096182557 436519665 /nfs/dbraw/zinc/51/96/65/436519665.db2.gz UDFPLFMEYNZMNP-YUELXQCFSA-N 1 2 337.445 0.434 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2[N@H+]1C ZINC000096182557 436519668 /nfs/dbraw/zinc/51/96/68/436519668.db2.gz UDFPLFMEYNZMNP-YUELXQCFSA-N 1 2 337.445 0.434 40 0 ECABLO O=C(c1cnccn1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196910 436520637 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CCn1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000019525026 212037956 /nfs/dbraw/zinc/03/79/56/212037956.db2.gz VRUFFSOUHRUHMX-CQSZACIVSA-N 1 2 342.465 0.636 40 0 ECABLO CC(C)(C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1)n1cncn1 ZINC000257225577 277124726 /nfs/dbraw/zinc/12/47/26/277124726.db2.gz FGVHGBCINDYSFX-KRWDZBQOSA-N 1 2 344.419 0.556 40 0 ECABLO COCCNC(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145767 436047761 /nfs/dbraw/zinc/04/77/61/436047761.db2.gz MQWCUYDMZORQAG-UHFFFAOYSA-N 1 2 333.388 0.364 40 0 ECABLO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000013583262 436061684 /nfs/dbraw/zinc/06/16/84/436061684.db2.gz UPFGTALYMRDROS-UHFFFAOYSA-N 1 2 325.434 0.633 40 0 ECABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)NCCOC ZINC000096113006 436514366 /nfs/dbraw/zinc/51/43/66/436514366.db2.gz JIMKNDWKQAKBHL-JKSUJKDBSA-N 1 2 349.431 0.709 40 0 biogenic,in-vitro ECABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)NCCOC ZINC000096113006 436514370 /nfs/dbraw/zinc/51/43/70/436514370.db2.gz JIMKNDWKQAKBHL-JKSUJKDBSA-N 1 2 349.431 0.709 40 0 biogenic,in-vitro ECABLO Cn1ccnc1C[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC000096159141 436517856 /nfs/dbraw/zinc/51/78/56/436517856.db2.gz HFWGNXUWOWFFSJ-UHFFFAOYSA-N 1 2 342.403 0.608 40 0 ECABLO Cc1occc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCOCC1 ZINC000096183955 436519588 /nfs/dbraw/zinc/51/95/88/436519588.db2.gz JWTZEBUACURZGW-CVEARBPZSA-N 1 2 347.415 0.736 40 0 ECABLO Cc1cc(C(=O)N2CCc3[nH+]cc(Cn4cncn4)n3CC2)no1 ZINC000096196999 436521242 /nfs/dbraw/zinc/52/12/42/436521242.db2.gz AFJNUEKXODFIMN-UHFFFAOYSA-N 1 2 327.348 0.518 40 0 ECABLO Cc1cnc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC000096068110 436510311 /nfs/dbraw/zinc/51/03/11/436510311.db2.gz UYKFSYKRKWMXOB-UHFFFAOYSA-N 1 2 337.387 0.997 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2[N@@H+]1C ZINC000107196864 436608474 /nfs/dbraw/zinc/60/84/74/436608474.db2.gz SXQCGOGHEDXRPM-MXWKQRLJSA-N 1 2 329.447 0.187 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2[N@H+]1C ZINC000107196864 436608476 /nfs/dbraw/zinc/60/84/76/436608476.db2.gz SXQCGOGHEDXRPM-MXWKQRLJSA-N 1 2 329.447 0.187 40 0 ECABLO Cc1[nH]c(CN2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)c[nH+]1 ZINC000108524528 436618983 /nfs/dbraw/zinc/61/89/83/436618983.db2.gz WCWCVWSBOWJDKO-GJZGRUSLSA-N 1 2 340.449 0.485 40 0 ECABLO Cc1[nH]cc(CN2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)[nH+]1 ZINC000108524528 436618986 /nfs/dbraw/zinc/61/89/86/436618986.db2.gz WCWCVWSBOWJDKO-GJZGRUSLSA-N 1 2 340.449 0.485 40 0 ECABLO C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000253465057 436848606 /nfs/dbraw/zinc/84/86/06/436848606.db2.gz TUMNFXLLOOPFAQ-ZDUSSCGKSA-N 1 2 346.474 0.426 40 0 ECABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cncs3)C2)nc[nH+]1 ZINC000257294911 436864045 /nfs/dbraw/zinc/86/40/45/436864045.db2.gz QWFMWNMXVRSNEZ-OAHLLOKOSA-N 1 2 348.432 0.736 40 0 ECABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cncs3)C2)[nH+]cn1 ZINC000257294911 436864050 /nfs/dbraw/zinc/86/40/50/436864050.db2.gz QWFMWNMXVRSNEZ-OAHLLOKOSA-N 1 2 348.432 0.736 40 0 ECABLO Cc1ccnn1CCC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257298430 436867159 /nfs/dbraw/zinc/86/71/59/436867159.db2.gz RLOJMASWHFYJMJ-QGZVFWFLSA-N 1 2 329.404 0.734 40 0 ECABLO Cc1ncoc1C(=O)NC[C@]1(O)CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257319314 436870325 /nfs/dbraw/zinc/87/03/25/436870325.db2.gz VRUZTTQSEBCYQA-MRXNPFEDSA-N 1 2 346.391 0.210 40 0 ECABLO Cc1ncoc1C(=O)NC[C@]1(O)CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257319314 436870329 /nfs/dbraw/zinc/87/03/29/436870329.db2.gz VRUZTTQSEBCYQA-MRXNPFEDSA-N 1 2 346.391 0.210 40 0 ECABLO COc1ccc(C)cc1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCN(C)CC2)C1 ZINC000257323250 436870660 /nfs/dbraw/zinc/87/06/60/436870660.db2.gz WJINTQUWAAJVLG-IAGOWNOFSA-N 1 2 347.459 0.365 40 0 ECABLO Cc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000306134904 437166564 /nfs/dbraw/zinc/16/65/64/437166564.db2.gz OBEHPVYSPKODSH-AWEZNQCLSA-N 1 2 349.460 0.768 40 0 ECABLO Cc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000306134904 437166566 /nfs/dbraw/zinc/16/65/66/437166566.db2.gz OBEHPVYSPKODSH-AWEZNQCLSA-N 1 2 349.460 0.768 40 0 ECABLO COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306142288 437168499 /nfs/dbraw/zinc/16/84/99/437168499.db2.gz WVMAOUXZAMTSNT-KSSFIOAISA-N 1 2 346.431 0.621 40 0 ECABLO CC(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCO2)C1 ZINC000585096154 439628358 /nfs/dbraw/zinc/62/83/58/439628358.db2.gz VYBICLLHFCUSBT-GFCCVEGCSA-N 1 2 328.394 0.142 40 0 ECABLO Cn1cnc2c1[C@H](C(=O)N1CCOCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110785 439631408 /nfs/dbraw/zinc/63/14/08/439631408.db2.gz GJBODUUOXJVADF-CQSZACIVSA-N 1 2 330.388 0.971 40 0 ECABLO Cn1cnc2c1[C@H](C(=O)N1CCOCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110785 439631410 /nfs/dbraw/zinc/63/14/10/439631410.db2.gz GJBODUUOXJVADF-CQSZACIVSA-N 1 2 330.388 0.971 40 0 ECABLO CN1C(=O)CCC[C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@H]21 ZINC000585291626 439642038 /nfs/dbraw/zinc/64/20/38/439642038.db2.gz QXIDJFSUVIFZOZ-HFPBVCCTSA-N 1 2 335.448 0.734 40 0 ECABLO Cc1ccc(=O)n(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000130691424 534254060 /nfs/dbraw/zinc/25/40/60/534254060.db2.gz RTPSFJZHQGUZEF-CQSZACIVSA-N 1 2 327.388 0.732 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2O)CC1 ZINC000257213406 244156082 /nfs/dbraw/zinc/15/60/82/244156082.db2.gz CHLLOCSBHSWPJL-IAGOWNOFSA-N 1 2 331.416 0.344 40 0 ECABLO CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257214513 244162562 /nfs/dbraw/zinc/16/25/62/244162562.db2.gz CMGXWARMMLOKRK-QGZVFWFLSA-N 1 2 346.431 0.713 40 0 ECABLO C[N@H+](CC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257223752 244192755 /nfs/dbraw/zinc/19/27/55/244192755.db2.gz DYRJZSZEOJYHTK-MRXNPFEDSA-N 1 2 327.388 0.904 40 0 ECABLO C[N@@H+](CC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257223752 244192762 /nfs/dbraw/zinc/19/27/62/244192762.db2.gz DYRJZSZEOJYHTK-MRXNPFEDSA-N 1 2 327.388 0.904 40 0 ECABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257226218 244201727 /nfs/dbraw/zinc/20/17/27/244201727.db2.gz FJRHZMMSZNHCGR-LLVKDONJSA-N 1 2 325.394 0.522 40 0 ECABLO O=S(=O)(c1cccnc1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257246481 244257828 /nfs/dbraw/zinc/25/78/28/244257828.db2.gz IUHFTSNTBRWIOX-CHWSQXEVSA-N 1 2 347.387 0.547 40 0 ECABLO CCc1noc(CCC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)n1 ZINC000257251316 244270021 /nfs/dbraw/zinc/27/00/21/244270021.db2.gz JQFUPYFEWJLTIY-STQMWFEESA-N 1 2 333.392 0.986 40 0 ECABLO CC(=O)NC1CC[NH+](Cc2nnnn2Cc2ccc(F)cc2)CC1 ZINC000004910295 210320308 /nfs/dbraw/zinc/32/03/08/210320308.db2.gz MOEKYEKUWVEQEB-UHFFFAOYSA-N 1 2 332.383 0.961 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2c[nH+]cn21 ZINC000306129057 257919090 /nfs/dbraw/zinc/91/90/90/257919090.db2.gz HSTWYKLRVYLHRW-CQSZACIVSA-N 1 2 346.362 0.903 40 0 ECABLO O=C(c1ccnnc1)N1CC[C@]2(C1)CN(c1cccc[nH+]1)CCO2 ZINC000306141292 257924541 /nfs/dbraw/zinc/92/45/41/257924541.db2.gz VQRXYBPEUJLIFZ-QGZVFWFLSA-N 1 2 325.372 0.993 40 0 ECABLO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1 ZINC000041127349 436269079 /nfs/dbraw/zinc/26/90/79/436269079.db2.gz OIXLSJXJEDPOLK-UHFFFAOYSA-N 1 2 349.412 0.982 40 0 ECABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000047496958 436422014 /nfs/dbraw/zinc/42/20/14/436422014.db2.gz ZIUXDNXSQGSROV-UHFFFAOYSA-N 1 2 342.417 0.565 40 0 ECABLO COCC(=O)N1CCc2[nH+]cc(CN(C)Cc3cncnc3)n2CC1 ZINC000096197142 436521127 /nfs/dbraw/zinc/52/11/27/436521127.db2.gz XNGSPYZSZDIWOT-UHFFFAOYSA-N 1 2 344.419 0.336 40 0 ECABLO COCC(=O)N1CCc2ncc(C[N@H+](C)Cc3cncnc3)n2CC1 ZINC000096197142 436521129 /nfs/dbraw/zinc/52/11/29/436521129.db2.gz XNGSPYZSZDIWOT-UHFFFAOYSA-N 1 2 344.419 0.336 40 0 ECABLO COCC(=O)N1CCc2ncc(C[N@@H+](C)Cc3cncnc3)n2CC1 ZINC000096197142 436521131 /nfs/dbraw/zinc/52/11/31/436521131.db2.gz XNGSPYZSZDIWOT-UHFFFAOYSA-N 1 2 344.419 0.336 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042918 436504894 /nfs/dbraw/zinc/50/48/94/436504894.db2.gz UVGGDKJXOACQNF-RWMBFGLXSA-N 1 2 325.434 0.885 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042918 436504899 /nfs/dbraw/zinc/50/48/99/436504899.db2.gz UVGGDKJXOACQNF-RWMBFGLXSA-N 1 2 325.434 0.885 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2csc(C)n2)O1 ZINC000096064743 436508835 /nfs/dbraw/zinc/50/88/35/436508835.db2.gz MLQAXJRYLFFZMY-IHRRRGAJSA-N 1 2 325.434 0.946 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@H]2[C@H](CC[N@H+]2Cc2csc(C)n2)O1 ZINC000096064743 436508839 /nfs/dbraw/zinc/50/88/39/436508839.db2.gz MLQAXJRYLFFZMY-IHRRRGAJSA-N 1 2 325.434 0.946 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC000096202076 436522939 /nfs/dbraw/zinc/52/29/39/436522939.db2.gz DKANYPYKPIRYGS-KRWDZBQOSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC000096202076 436522941 /nfs/dbraw/zinc/52/29/41/436522941.db2.gz DKANYPYKPIRYGS-KRWDZBQOSA-N 1 2 328.420 0.939 40 0 ECABLO CS(=O)(=O)N1CCC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229330 436527334 /nfs/dbraw/zinc/52/73/34/436527334.db2.gz XQWGOQSWGKDPBS-INIZCTEOSA-N 1 2 339.461 0.956 40 0 ECABLO CS(=O)(=O)N1CCC[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229330 436527339 /nfs/dbraw/zinc/52/73/39/436527339.db2.gz XQWGOQSWGKDPBS-INIZCTEOSA-N 1 2 339.461 0.956 40 0 ECABLO CN(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247939064 436798383 /nfs/dbraw/zinc/79/83/83/436798383.db2.gz HYWVHYXJNHINKD-CYBMUJFWSA-N 1 2 340.449 0.781 40 0 ECABLO COCC(=O)NC[C@@H]1CCC2(CN(c3cc(N(C)C)[nH+]cn3)C2)OC1 ZINC000248118234 436801282 /nfs/dbraw/zinc/80/12/82/436801282.db2.gz MHVUSVWQBIZMJJ-ZDUSSCGKSA-N 1 2 349.435 0.291 40 0 ECABLO COCC(=O)NC[C@@H]1CCC2(CN(c3cc(N(C)C)nc[nH+]3)C2)OC1 ZINC000248118234 436801284 /nfs/dbraw/zinc/80/12/84/436801284.db2.gz MHVUSVWQBIZMJJ-ZDUSSCGKSA-N 1 2 349.435 0.291 40 0 ECABLO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)CC1 ZINC000257213209 436859134 /nfs/dbraw/zinc/85/91/34/436859134.db2.gz CGPCBALSVHUVAB-GFCCVEGCSA-N 1 2 340.449 0.613 40 0 ECABLO CC(=O)N1CCC([N@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)CC1 ZINC000257213209 436859138 /nfs/dbraw/zinc/85/91/38/436859138.db2.gz CGPCBALSVHUVAB-GFCCVEGCSA-N 1 2 340.449 0.613 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257246578 436860307 /nfs/dbraw/zinc/86/03/07/436860307.db2.gz IUSZPUUOPWPPJP-ZDUSSCGKSA-N 1 2 331.376 0.487 40 0 ECABLO CCn1cc(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)c(C)n1 ZINC000257321557 436870846 /nfs/dbraw/zinc/87/08/46/436870846.db2.gz WCEHZBRBNMQDCI-KRWDZBQOSA-N 1 2 344.419 0.681 40 0 ECABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCn3cc[nH+]c3)C2)ncn1 ZINC000257344415 436877497 /nfs/dbraw/zinc/87/74/97/436877497.db2.gz ZXCMWZCWXIAIBT-KRWDZBQOSA-N 1 2 344.419 0.471 40 0 ECABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000257336340 303338722 /nfs/dbraw/zinc/33/87/22/303338722.db2.gz YOACOLYODAIOKQ-MRXNPFEDSA-N 1 2 345.428 0.996 40 0 ECABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000257336340 303338725 /nfs/dbraw/zinc/33/87/25/303338725.db2.gz YOACOLYODAIOKQ-MRXNPFEDSA-N 1 2 345.428 0.996 40 0 ECABLO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)cc1 ZINC000306142873 437167539 /nfs/dbraw/zinc/16/75/39/437167539.db2.gz XNBXFIJRUFSBTI-KRWDZBQOSA-N 1 2 344.371 0.115 40 0 ECABLO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)cc1 ZINC000306142873 437167542 /nfs/dbraw/zinc/16/75/42/437167542.db2.gz XNBXFIJRUFSBTI-KRWDZBQOSA-N 1 2 344.371 0.115 40 0 ECABLO Cn1cnc2c1[C@@H](C(=O)N1CCOCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110784 439631072 /nfs/dbraw/zinc/63/10/72/439631072.db2.gz GJBODUUOXJVADF-AWEZNQCLSA-N 1 2 330.388 0.971 40 0 ECABLO Cn1cnc2c1[C@@H](C(=O)N1CCOCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110784 439631076 /nfs/dbraw/zinc/63/10/76/439631076.db2.gz GJBODUUOXJVADF-AWEZNQCLSA-N 1 2 330.388 0.971 40 0 ECABLO O=C(CC1(O)CCC1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000585110651 439631371 /nfs/dbraw/zinc/63/13/71/439631371.db2.gz UBZWHXWNBKVRLP-UHFFFAOYSA-N 1 2 348.447 0.405 40 0 ECABLO O=C(Cc1c[nH+]c[nH]1)N1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585277454 439636893 /nfs/dbraw/zinc/63/68/93/439636893.db2.gz WXRGRFQFDMOMOP-QGZVFWFLSA-N 1 2 333.363 0.924 40 0 ECABLO CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2c[nH+]cn21 ZINC000585095906 439627110 /nfs/dbraw/zinc/62/71/10/439627110.db2.gz AJNRNEKMKASNMN-CQSZACIVSA-N 1 2 334.401 0.683 40 0 ECABLO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1NS(C)(=O)=O ZINC000022874406 212331143 /nfs/dbraw/zinc/33/11/43/212331143.db2.gz CGZZKYCYNYSWQS-UHFFFAOYSA-N 1 2 341.433 0.429 40 0 ECABLO Cc1nccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257233321 244219272 /nfs/dbraw/zinc/21/92/72/244219272.db2.gz GOSVSSUBLWFELV-KRWDZBQOSA-N 1 2 327.388 0.893 40 0 ECABLO O=C([C@@H]1CCOC1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188473 304354760 /nfs/dbraw/zinc/35/47/60/304354760.db2.gz QXRARMBDCWPXHJ-ZIAGYGMSSA-N 1 2 332.404 0.500 40 0 ECABLO CC(C)(C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1)n1cncn1 ZINC000257225578 277125131 /nfs/dbraw/zinc/12/51/31/277125131.db2.gz FGVHGBCINDYSFX-QGZVFWFLSA-N 1 2 344.419 0.556 40 0 ECABLO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCCn1cc[nH+]c1 ZINC000013688932 436065312 /nfs/dbraw/zinc/06/53/12/436065312.db2.gz KIBIHDQRUINNRV-OKILXGFUSA-N 1 2 330.388 0.731 40 0 ECABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)C3CCOCC3)CCN2C1=O ZINC000085436124 436388451 /nfs/dbraw/zinc/38/84/51/436388451.db2.gz HGHDDXPMRUDDTL-CQSZACIVSA-N 1 2 347.419 0.295 40 0 biogenic,in-vitro ECABLO Cn1cc(C[C@H]2[C@H]([NH+]3CCOCC3)CCN2C(=O)c2ccc[nH]2)cn1 ZINC000096200961 436523150 /nfs/dbraw/zinc/52/31/50/436523150.db2.gz HDVGOURWXUYSRY-SJORKVTESA-N 1 2 343.431 0.906 40 0 ECABLO O=C(N1CCOCC1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188603 436521217 /nfs/dbraw/zinc/52/12/17/436521217.db2.gz VQBXTERQXWJPOE-AWEZNQCLSA-N 1 2 330.392 0.664 40 0 ECABLO CCOc1ccc([C@@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095534257 436499973 /nfs/dbraw/zinc/49/99/73/436499973.db2.gz UTXQHHLYYLYOOW-CQSZACIVSA-N 1 2 329.364 0.900 40 0 ECABLO CNC(=O)CN1CCOC[C@@]2(C[N@H+](Cc3cccc(C)n3)CCO2)C1 ZINC000096076652 436510628 /nfs/dbraw/zinc/51/06/28/436510628.db2.gz YKHHHPBQXXIHHG-GOSISDBHSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)CN1CCOC[C@@]2(C[N@@H+](Cc3cccc(C)n3)CCO2)C1 ZINC000096076652 436510631 /nfs/dbraw/zinc/51/06/31/436510631.db2.gz YKHHHPBQXXIHHG-GOSISDBHSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CN(Cc3cccc(C)n3)CCO2)C1 ZINC000096076652 436510632 /nfs/dbraw/zinc/51/06/32/436510632.db2.gz YKHHHPBQXXIHHG-GOSISDBHSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)C[N@H+]1CCOC[C@@]2(CN(Cc3cccc(C)n3)CCO2)C1 ZINC000096076652 436510636 /nfs/dbraw/zinc/51/06/36/436510636.db2.gz YKHHHPBQXXIHHG-GOSISDBHSA-N 1 2 348.447 0.039 40 0 ECABLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)cn1 ZINC000107204313 436608178 /nfs/dbraw/zinc/60/81/78/436608178.db2.gz FRVJDJWMDLVXNY-BFYDXBDKSA-N 1 2 343.431 0.920 40 0 ECABLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)cn1 ZINC000107204313 436608180 /nfs/dbraw/zinc/60/81/80/436608180.db2.gz FRVJDJWMDLVXNY-BFYDXBDKSA-N 1 2 343.431 0.920 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cn(C)cn1 ZINC000257342077 436874297 /nfs/dbraw/zinc/87/42/97/436874297.db2.gz ZMYWANDNFCGKHQ-QGZVFWFLSA-N 1 2 329.404 0.919 40 0 ECABLO Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257298269 436865929 /nfs/dbraw/zinc/86/59/29/436865929.db2.gz RKZGFHYDVDHVKJ-YRGRVCCFSA-N 1 2 339.421 0.358 40 0 ECABLO CC(=O)N1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C(N)=O ZINC000257302349 436866723 /nfs/dbraw/zinc/86/67/23/436866723.db2.gz SCOOOQNSDMXITA-MRXNPFEDSA-N 1 2 345.378 0.529 40 0 ECABLO CC(=O)N1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C(N)=O ZINC000257302349 436866727 /nfs/dbraw/zinc/86/67/27/436866727.db2.gz SCOOOQNSDMXITA-MRXNPFEDSA-N 1 2 345.378 0.529 40 0 ECABLO Cc1nonc1CC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257312416 436868469 /nfs/dbraw/zinc/86/84/69/436868469.db2.gz UNWATAXCSFFJRR-QGZVFWFLSA-N 1 2 345.403 0.805 40 0 ECABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257320348 436870140 /nfs/dbraw/zinc/87/01/40/436870140.db2.gz VWJWLJHEDUKGTM-CQSZACIVSA-N 1 2 340.449 0.880 40 0 ECABLO Cc1ncncc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257328731 436873045 /nfs/dbraw/zinc/87/30/45/436873045.db2.gz XGWITEHATJFYBC-QGZVFWFLSA-N 1 2 327.388 0.941 40 0 ECABLO Cn1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000306132838 437167063 /nfs/dbraw/zinc/16/70/63/437167063.db2.gz LTWQAOBDPLUUIE-CYBMUJFWSA-N 1 2 336.346 0.651 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131340 437167385 /nfs/dbraw/zinc/16/73/85/437167385.db2.gz KCEDKWSTPYQJTA-GOEBONIOSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131340 437167389 /nfs/dbraw/zinc/16/73/89/437167389.db2.gz KCEDKWSTPYQJTA-GOEBONIOSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131340 437167392 /nfs/dbraw/zinc/16/73/92/437167392.db2.gz KCEDKWSTPYQJTA-GOEBONIOSA-N 1 2 332.408 0.462 40 0 ECABLO O=C(c1cocn1)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585097608 439628820 /nfs/dbraw/zinc/62/88/20/439628820.db2.gz NNVPOVMJHKKPLY-CYBMUJFWSA-N 1 2 331.376 0.618 40 0 ECABLO COc1ccc(C[N@@H+]2CCOC[C@](O)(CC(=O)N(C)C)C2)c(F)c1 ZINC000585280055 439639050 /nfs/dbraw/zinc/63/90/50/439639050.db2.gz ABFVVHQLDFIADD-KRWDZBQOSA-N 1 2 340.395 0.876 40 0 ECABLO COc1ccc(C[N@H+]2CCOC[C@](O)(CC(=O)N(C)C)C2)c(F)c1 ZINC000585280055 439639054 /nfs/dbraw/zinc/63/90/54/439639054.db2.gz ABFVVHQLDFIADD-KRWDZBQOSA-N 1 2 340.395 0.876 40 0 ECABLO CCOCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000585096042 439628130 /nfs/dbraw/zinc/62/81/30/439628130.db2.gz OMVITGPXTFYFPJ-AWEZNQCLSA-N 1 2 332.360 0.712 40 0 ECABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000067897645 215246195 /nfs/dbraw/zinc/24/61/95/215246195.db2.gz SBEJMMFFLUXUPY-KGLIPLIRSA-N 1 2 341.371 0.067 40 0 biogenic,in-vitro ECABLO CNC(=O)CNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072365561 216171961 /nfs/dbraw/zinc/17/19/61/216171961.db2.gz TYAUISLMIJKCSU-LLVKDONJSA-N 1 2 326.422 0.379 40 0 ECABLO CNC(=O)c1cc(C[C@@H]2COCCN(c3cc[nH+]c(C)n3)C2)ncn1 ZINC000072388288 216188247 /nfs/dbraw/zinc/18/82/47/216188247.db2.gz NFXYPRDAYRMOIN-ZDUSSCGKSA-N 1 2 342.403 0.630 40 0 ECABLO Cc1nc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cc(N2CCOCC2)n1 ZINC000072387727 216186289 /nfs/dbraw/zinc/18/62/89/216186289.db2.gz CXDUMQMMIPFSGM-INIZCTEOSA-N 1 2 344.419 0.918 40 0 ECABLO Cc1nc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cc(N2CCOCC2)n1 ZINC000072387727 216186291 /nfs/dbraw/zinc/18/62/91/216186291.db2.gz CXDUMQMMIPFSGM-INIZCTEOSA-N 1 2 344.419 0.918 40 0 ECABLO CNC(=O)[C@]1(C)CN(C(=O)Cc2c(C)[nH+]c3ccccn32)CCO1 ZINC000257212920 244157773 /nfs/dbraw/zinc/15/77/73/244157773.db2.gz CFLCQVHSTAJJIX-KRWDZBQOSA-N 1 2 330.388 0.549 40 0 ECABLO Cc1ncc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257223238 244191438 /nfs/dbraw/zinc/19/14/38/244191438.db2.gz DWMJHWRGYQYXDO-QGZVFWFLSA-N 1 2 327.388 0.893 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257242337 244247934 /nfs/dbraw/zinc/24/79/34/244247934.db2.gz IBZHPRVRXVNAKN-KRWDZBQOSA-N 1 2 344.419 0.601 40 0 ECABLO Cc1[nH+]c[nH]c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccc(CC(=O)[O-])cc2)C1 ZINC000257262529 244350650 /nfs/dbraw/zinc/35/06/50/244350650.db2.gz LLTOAMYSKYZPBL-HZPDHXFCSA-N 1 2 331.372 0.969 40 0 ECABLO Cc1[nH+]c[nH]c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccc(CC(=O)[O-])cc2)C1 ZINC000257262529 244350655 /nfs/dbraw/zinc/35/06/55/244350655.db2.gz LLTOAMYSKYZPBL-HZPDHXFCSA-N 1 2 331.372 0.969 40 0 ECABLO C[C@@H]1Cc2nc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)ncc2C(=O)C1 ZINC000013636087 436064072 /nfs/dbraw/zinc/06/40/72/436064072.db2.gz QWYSKJGKLVWFFM-SNVBAGLBSA-N 1 2 345.403 0.377 40 0 ECABLO COCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057670111 436613941 /nfs/dbraw/zinc/61/39/41/436613941.db2.gz MOHNFHGRZNUPIL-OAHLLOKOSA-N 1 2 344.419 0.606 40 0 ECABLO Cc1cn([C@@H]2C[N@H+](Cc3ccc(F)cn3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257266888 436862011 /nfs/dbraw/zinc/86/20/11/436862011.db2.gz MEZRFBXKEYTAOX-RHSMWYFYSA-N 1 2 348.378 0.989 40 0 ECABLO Cc1cn([C@@H]2C[N@@H+](Cc3ccc(F)cn3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257266888 436862017 /nfs/dbraw/zinc/86/20/17/436862017.db2.gz MEZRFBXKEYTAOX-RHSMWYFYSA-N 1 2 348.378 0.989 40 0 ECABLO O=C(NC[C@]1(O)CC[N@@H+](Cc2cscn2)C[C@H]1O)c1ccccn1 ZINC000257285870 436862698 /nfs/dbraw/zinc/86/26/98/436862698.db2.gz PJGQWMLWIQNDIE-GDBMZVCRSA-N 1 2 348.428 0.266 40 0 ECABLO O=C(NC[C@]1(O)CC[N@H+](Cc2cscn2)C[C@H]1O)c1ccccn1 ZINC000257285870 436862701 /nfs/dbraw/zinc/86/27/01/436862701.db2.gz PJGQWMLWIQNDIE-GDBMZVCRSA-N 1 2 348.428 0.266 40 0 ECABLO Cc1nccc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257324923 436872699 /nfs/dbraw/zinc/87/26/99/436872699.db2.gz WQTOCARHHARXIG-QGZVFWFLSA-N 1 2 327.388 0.941 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cn2cccn2)CC[NH2+]1 ZINC000257342324 436875450 /nfs/dbraw/zinc/87/54/50/436875450.db2.gz ZODOSGMDZHUFGB-HNNXBMFYSA-N 1 2 327.388 0.091 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)no1 ZINC000306136791 437168364 /nfs/dbraw/zinc/16/83/64/437168364.db2.gz QDLQMZHKUMWYTE-JGGQBBKZSA-N 1 2 345.403 0.593 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)no1 ZINC000306136791 437168368 /nfs/dbraw/zinc/16/83/68/437168368.db2.gz QDLQMZHKUMWYTE-JGGQBBKZSA-N 1 2 345.403 0.593 40 0 ECABLO Cc1nc(CN2Cc3c[nH+]cn3[C@@H](CNS(C)(=O)=O)C2)cs1 ZINC000306136968 437168625 /nfs/dbraw/zinc/16/86/25/437168625.db2.gz QHUUVPWBDBJPSG-ZDUSSCGKSA-N 1 2 341.462 0.754 40 0 ECABLO O=C(Cn1cc[nH+]c1)N1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585275754 439636362 /nfs/dbraw/zinc/63/63/62/439636362.db2.gz JCPTYXQJNCBJEQ-QGZVFWFLSA-N 1 2 333.363 0.855 40 0 ECABLO CNc1ncccc1C[N@@H+]1CCO[C@@](COC)(CC(=O)N(C)C)C1 ZINC000585276237 439636583 /nfs/dbraw/zinc/63/65/83/439636583.db2.gz DZMKZMDHQUEMBY-KRWDZBQOSA-N 1 2 336.436 0.819 40 0 ECABLO CNc1ncccc1C[N@H+]1CCO[C@@](COC)(CC(=O)N(C)C)C1 ZINC000585276237 439636585 /nfs/dbraw/zinc/63/65/85/439636585.db2.gz DZMKZMDHQUEMBY-KRWDZBQOSA-N 1 2 336.436 0.819 40 0 ECABLO CCS(=O)(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1CNc1ncccn1 ZINC000585094535 439628021 /nfs/dbraw/zinc/62/80/21/439628021.db2.gz AFGCJRVIOPTGKP-LLVKDONJSA-N 1 2 336.421 0.399 40 0 ECABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1S(=O)(=O)c1cn(C)cn1 ZINC000585094584 439628062 /nfs/dbraw/zinc/62/80/62/439628062.db2.gz CJVRUPOUDTVIQE-NSHDSACASA-N 1 2 339.421 0.306 40 0 ECABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cc[nH+]1 ZINC000257224441 536144729 /nfs/dbraw/zinc/14/47/29/536144729.db2.gz FBVQCECHMPJAGW-LBPRGKRZSA-N 1 2 331.376 0.363 40 0 ECABLO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072367062 216172771 /nfs/dbraw/zinc/17/27/71/216172771.db2.gz HPWGMPVVHKDANH-CQSZACIVSA-N 1 2 333.436 0.689 40 0 ECABLO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072367062 216172774 /nfs/dbraw/zinc/17/27/74/216172774.db2.gz HPWGMPVVHKDANH-CQSZACIVSA-N 1 2 333.436 0.689 40 0 ECABLO CC(C)n1cc[nH+]c1CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 ZINC000257201199 244119975 /nfs/dbraw/zinc/11/99/75/244119975.db2.gz AGSSQSCOBLCNHT-HUUCEWRRSA-N 1 2 329.404 0.834 40 0 ECABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)[nH+]1 ZINC000257213606 244159547 /nfs/dbraw/zinc/15/95/47/244159547.db2.gz CIHOJLJMBAIZEV-NSHDSACASA-N 1 2 331.376 0.103 40 0 ECABLO CN(CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1)Cc1cccnc1 ZINC000257223934 244196158 /nfs/dbraw/zinc/19/61/58/244196158.db2.gz DZOZSSXQIZIRHV-IRXDYDNUSA-N 1 2 343.431 0.935 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)CC1 ZINC000257227355 244204185 /nfs/dbraw/zinc/20/41/85/244204185.db2.gz FOXIXGYLJUHYMC-IAGOWNOFSA-N 1 2 349.406 0.104 40 0 ECABLO Cc1cn(C)c([C@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257245776 244256006 /nfs/dbraw/zinc/25/60/06/244256006.db2.gz IQZXORDJUCAFSB-CQSZACIVSA-N 1 2 342.465 0.526 40 0 ECABLO Cc1cn(C)c([C@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257245776 244256009 /nfs/dbraw/zinc/25/60/09/244256009.db2.gz IQZXORDJUCAFSB-CQSZACIVSA-N 1 2 342.465 0.526 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2F)CC[N@@H+]1C(C)C ZINC000257252846 244273407 /nfs/dbraw/zinc/27/34/07/244273407.db2.gz JWHXNMOBIMHQPF-AWEZNQCLSA-N 1 2 337.395 0.872 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2F)CC[N@H+]1C(C)C ZINC000257252846 244273411 /nfs/dbraw/zinc/27/34/11/244273411.db2.gz JWHXNMOBIMHQPF-AWEZNQCLSA-N 1 2 337.395 0.872 40 0 ECABLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cn1 ZINC000257254182 244276586 /nfs/dbraw/zinc/27/65/86/244276586.db2.gz KCBJAKQNCYSIGN-TZMCWYRMSA-N 1 2 335.433 0.725 40 0 ECABLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cn1 ZINC000257254182 244276591 /nfs/dbraw/zinc/27/65/91/244276591.db2.gz KCBJAKQNCYSIGN-TZMCWYRMSA-N 1 2 335.433 0.725 40 0 ECABLO O=C(N1CCCC1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188754 218657753 /nfs/dbraw/zinc/65/77/53/218657753.db2.gz XBBPYMSHELGZLH-CQSZACIVSA-N 1 2 342.403 0.788 40 0 ECABLO CC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019500754 287411367 /nfs/dbraw/zinc/41/13/67/287411367.db2.gz NPECJSMGFDAYKF-WZTLGTBRSA-N 1 2 346.383 0.892 40 0 ECABLO Cc1cc(N2CCOCC2)nc(S[C@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000005744174 435991336 /nfs/dbraw/zinc/99/13/36/435991336.db2.gz JJWVZHSZEZVJIG-NSHDSACASA-N 1 2 329.447 0.901 40 0 ECABLO Cc1nc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]c(=O)c1C ZINC000012221463 436047881 /nfs/dbraw/zinc/04/78/81/436047881.db2.gz XQYBGXSUQPNRAH-CYBMUJFWSA-N 1 2 330.392 0.368 40 0 ECABLO C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3c3ncccn3)O2)CC1 ZINC000096186950 436519423 /nfs/dbraw/zinc/51/94/23/436519423.db2.gz QLQYWZUOZFFSMZ-KFWWJZLASA-N 1 2 331.420 0.377 40 0 ECABLO O=C(C1CCOCC1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196923 436521082 /nfs/dbraw/zinc/52/10/82/436521082.db2.gz QJBWJYPAZTZQHO-UHFFFAOYSA-N 1 2 348.447 0.527 40 0 ECABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](Cn2ncccc2=O)C1 ZINC000096188743 436521581 /nfs/dbraw/zinc/52/15/81/436521581.db2.gz VCMVEJXAGSTBSZ-AWEZNQCLSA-N 1 2 327.388 0.899 40 0 ECABLO CN(C)S(=O)(=O)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206775 436522368 /nfs/dbraw/zinc/52/23/68/436522368.db2.gz AVGZQSOWVORDRH-UKRRQHHQSA-N 1 2 340.449 0.923 40 0 ECABLO COCCNC(=O)C[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12 ZINC000096219566 436525550 /nfs/dbraw/zinc/52/55/50/436525550.db2.gz XCCWHEANBFJDIV-JHJVBQTASA-N 1 2 325.434 0.743 40 0 ECABLO COCCNC(=O)C[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12 ZINC000096219566 436525555 /nfs/dbraw/zinc/52/55/55/436525555.db2.gz XCCWHEANBFJDIV-JHJVBQTASA-N 1 2 325.434 0.743 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1cnccn1)CC2 ZINC000096230129 436527184 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Cc1nonc1CC(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257280866 436862750 /nfs/dbraw/zinc/86/27/50/436862750.db2.gz OMTDUTPJTZDFBK-INIZCTEOSA-N 1 2 346.391 0.119 40 0 ECABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)cc[nH+]1 ZINC000257341410 436874700 /nfs/dbraw/zinc/87/47/00/436874700.db2.gz ZKENXTRZSZXWJG-CQSZACIVSA-N 1 2 340.449 0.862 40 0 ECABLO CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257301544 436866108 /nfs/dbraw/zinc/86/61/08/436866108.db2.gz RYXGINBMTWDOHM-MRXNPFEDSA-N 1 2 330.392 0.163 40 0 ECABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccccn3)C2)nc[nH+]1 ZINC000257317182 436871371 /nfs/dbraw/zinc/87/13/71/436871371.db2.gz VIRZNBLDPMRSNS-KRWDZBQOSA-N 1 2 342.403 0.627 40 0 ECABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccccn3)C2)[nH+]cn1 ZINC000257317182 436871375 /nfs/dbraw/zinc/87/13/75/436871375.db2.gz VIRZNBLDPMRSNS-KRWDZBQOSA-N 1 2 342.403 0.627 40 0 ECABLO Cc1cnc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257335418 436874912 /nfs/dbraw/zinc/87/49/12/436874912.db2.gz 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438747984 /nfs/dbraw/zinc/74/79/84/438747984.db2.gz JHFJSSWQFNCORB-HNNXBMFYSA-N 1 2 337.464 0.860 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)CCC(C)C)C2)C[N@H+]1CC1CC1 ZINC000575403956 438747988 /nfs/dbraw/zinc/74/79/88/438747988.db2.gz JHFJSSWQFNCORB-HNNXBMFYSA-N 1 2 337.464 0.860 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CO)N(S(=O)(=O)c1ccccc1F)C2 ZINC000585094712 439628201 /nfs/dbraw/zinc/62/82/01/439628201.db2.gz ISAWIGCPHIAFMO-SNVBAGLBSA-N 1 2 325.365 0.667 40 0 ECABLO Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)on1 ZINC000585098436 439629111 /nfs/dbraw/zinc/62/91/11/439629111.db2.gz YIFIKBGGHBGWKZ-CQSZACIVSA-N 1 2 345.403 0.926 40 0 ECABLO C[C@@H]1c2[nH+]cc(CCOCC(=O)N(C)C)n2CCN1Cc1cn[nH]c1 ZINC000585097959 439629190 /nfs/dbraw/zinc/62/91/90/439629190.db2.gz PUGUVQPOSDDSEC-CYBMUJFWSA-N 1 2 346.435 0.830 40 0 ECABLO C[C@@H]1c2ncc(CCOCC(=O)N(C)C)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097959 439629194 /nfs/dbraw/zinc/62/91/94/439629194.db2.gz PUGUVQPOSDDSEC-CYBMUJFWSA-N 1 2 346.435 0.830 40 0 ECABLO C[C@@H]1c2ncc(CCOCC(=O)N(C)C)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097959 439629198 /nfs/dbraw/zinc/62/91/98/439629198.db2.gz PUGUVQPOSDDSEC-CYBMUJFWSA-N 1 2 346.435 0.830 40 0 ECABLO CCCCC[C@]1(O)CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@@H]1O ZINC000585292325 439642047 /nfs/dbraw/zinc/64/20/47/439642047.db2.gz ZZNBVKNJOBEFSQ-MMUANNJHSA-N 1 2 340.464 0.779 40 0 ECABLO CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2c[nH+]cn21 ZINC000585095903 439627588 /nfs/dbraw/zinc/62/75/88/439627588.db2.gz AJNRNEKMKASNMN-AWEZNQCLSA-N 1 2 334.401 0.683 40 0 ECABLO Cn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2ccccc21 ZINC000022234269 202081095 /nfs/dbraw/zinc/08/10/95/202081095.db2.gz DZCJAKQXRQYKPN-UHFFFAOYSA-N 1 2 329.400 0.991 40 0 ECABLO Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CC[NH+](C)CC1 ZINC000225882544 242069638 /nfs/dbraw/zinc/06/96/38/242069638.db2.gz PKJXUGPFQTZJFU-UHFFFAOYSA-N 1 2 332.451 0.235 40 0 ECABLO CCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000253493157 244003832 /nfs/dbraw/zinc/00/38/32/244003832.db2.gz SJQMRJKSPGCCHJ-CQSZACIVSA-N 1 2 328.438 0.358 40 0 ECABLO CCS(=O)(=O)NC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000253493157 244003836 /nfs/dbraw/zinc/00/38/36/244003836.db2.gz SJQMRJKSPGCCHJ-CQSZACIVSA-N 1 2 328.438 0.358 40 0 ECABLO CN(C(=O)CNS(C)(=O)=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257224311 244196024 /nfs/dbraw/zinc/19/60/24/244196024.db2.gz FBGQYERBFOSXMS-LBPRGKRZSA-N 1 2 326.422 0.058 40 0 ECABLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)c(OC)c1 ZINC000257224427 244196292 /nfs/dbraw/zinc/19/62/92/244196292.db2.gz FBTVETPMNYYSCD-HUUCEWRRSA-N 1 2 346.387 0.402 40 0 ECABLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)c(OC)c1 ZINC000257224427 244196297 /nfs/dbraw/zinc/19/62/97/244196297.db2.gz FBTVETPMNYYSCD-HUUCEWRRSA-N 1 2 346.387 0.402 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ncccn1 ZINC000257251438 244269963 /nfs/dbraw/zinc/26/99/63/244269963.db2.gz JQTJUXDJRKPFRM-KRWDZBQOSA-N 1 2 327.388 0.975 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257267871 244367855 /nfs/dbraw/zinc/36/78/55/244367855.db2.gz MJDMWKCMAXFLJB-QGZVFWFLSA-N 1 2 344.419 0.570 40 0 ECABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257267871 244367862 /nfs/dbraw/zinc/36/78/62/244367862.db2.gz MJDMWKCMAXFLJB-QGZVFWFLSA-N 1 2 344.419 0.570 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)Cn3cccn3)C2)nc[nH+]1 ZINC000257260579 244346708 /nfs/dbraw/zinc/34/67/08/244346708.db2.gz LDMHTDOXUUEDDQ-QGZVFWFLSA-N 1 2 344.419 0.471 40 0 ECABLO CCn1cc(C(=O)NC[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257287175 244424288 /nfs/dbraw/zinc/42/42/88/244424288.db2.gz POVHZVABQHMDDA-QGZVFWFLSA-N 1 2 344.419 0.763 40 0 ECABLO CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000108526979 204265965 /nfs/dbraw/zinc/26/59/65/204265965.db2.gz HPZDBVSXFHPNRT-KBPBESRZSA-N 1 2 345.852 0.970 40 0 ECABLO CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000108526979 204265970 /nfs/dbraw/zinc/26/59/70/204265970.db2.gz HPZDBVSXFHPNRT-KBPBESRZSA-N 1 2 345.852 0.970 40 0 ECABLO O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])NCC[NH+]1CCOCC1 ZINC000019201980 436104189 /nfs/dbraw/zinc/10/41/89/436104189.db2.gz GVTWHHFZLGQZKC-OAHLLOKOSA-N 1 2 335.404 0.068 40 0 ECABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257226219 301024690 /nfs/dbraw/zinc/02/46/90/301024690.db2.gz FJRHZMMSZNHCGR-NSHDSACASA-N 1 2 325.394 0.522 40 0 ECABLO CCCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108135 436514445 /nfs/dbraw/zinc/51/44/45/436514445.db2.gz DNTNWUCNPMPPIH-JKSUJKDBSA-N 1 2 339.461 0.954 40 0 ECABLO CCCS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108135 436514448 /nfs/dbraw/zinc/51/44/48/436514448.db2.gz DNTNWUCNPMPPIH-JKSUJKDBSA-N 1 2 339.461 0.954 40 0 ECABLO Cc1cccc(C[N@@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)n1 ZINC000096185876 436520193 /nfs/dbraw/zinc/52/01/93/436520193.db2.gz LTTPXUJOHMDEEG-KKUMJFAQSA-N 1 2 325.434 0.671 40 0 ECABLO Cc1cccc(C[N@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)n1 ZINC000096185876 436520194 /nfs/dbraw/zinc/52/01/94/436520194.db2.gz LTTPXUJOHMDEEG-KKUMJFAQSA-N 1 2 325.434 0.671 40 0 ECABLO COCC(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045008 436504241 /nfs/dbraw/zinc/50/42/41/436504241.db2.gz AHDBDPVQJXMXIO-AWEZNQCLSA-N 1 2 337.420 0.936 40 0 ECABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cnn(C)c2)CCO3)o1 ZINC000096049193 436506112 /nfs/dbraw/zinc/50/61/12/436506112.db2.gz ZZKFIUAJORUSAL-INIZCTEOSA-N 1 2 332.408 0.983 40 0 ECABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cnn(C)c2)CCO3)o1 ZINC000096049193 436506115 /nfs/dbraw/zinc/50/61/15/436506115.db2.gz ZZKFIUAJORUSAL-INIZCTEOSA-N 1 2 332.408 0.983 40 0 ECABLO COCC(=O)N1CCC2(CC1)C(=O)N(Cc1cccnc1)CC[N@H+]2C ZINC000096050100 436507042 /nfs/dbraw/zinc/50/70/42/436507042.db2.gz VLGFKOPKXSPCAR-UHFFFAOYSA-N 1 2 346.431 0.363 40 0 ECABLO COCC(=O)N1CCC2(CC1)C(=O)N(Cc1cccnc1)CC[N@@H+]2C ZINC000096050100 436507043 /nfs/dbraw/zinc/50/70/43/436507043.db2.gz VLGFKOPKXSPCAR-UHFFFAOYSA-N 1 2 346.431 0.363 40 0 ECABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@@H+](Cc1ccco1)C2 ZINC000096059612 436508492 /nfs/dbraw/zinc/50/84/92/436508492.db2.gz PZIVSMRLNCDSKX-UHFFFAOYSA-N 1 2 326.360 0.882 40 0 ECABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@H+](Cc1ccco1)C2 ZINC000096059612 436508496 /nfs/dbraw/zinc/50/84/96/436508496.db2.gz PZIVSMRLNCDSKX-UHFFFAOYSA-N 1 2 326.360 0.882 40 0 ECABLO O=C(c1ccno1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096068111 436510235 /nfs/dbraw/zinc/51/02/35/436510235.db2.gz ZPIVTNWXHAORFC-UHFFFAOYSA-N 1 2 340.343 0.522 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cnn(C)c4)CCO[C@@H]3C2)no1 ZINC000096208968 436523330 /nfs/dbraw/zinc/52/33/30/436523330.db2.gz NJKLNZODESGDLK-GDBMZVCRSA-N 1 2 345.403 0.690 40 0 ECABLO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4cnn(C)c4)CCO[C@@H]3C2)no1 ZINC000096208968 436523332 /nfs/dbraw/zinc/52/33/32/436523332.db2.gz NJKLNZODESGDLK-GDBMZVCRSA-N 1 2 345.403 0.690 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn(C)c1 ZINC000107747508 436615194 /nfs/dbraw/zinc/61/51/94/436615194.db2.gz PJJCLXYAGACKIJ-IMJJTQAJSA-N 1 2 336.436 0.504 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnn(C)c1 ZINC000107747508 436615196 /nfs/dbraw/zinc/61/51/96/436615196.db2.gz PJJCLXYAGACKIJ-IMJJTQAJSA-N 1 2 336.436 0.504 40 0 ECABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000257293120 436864579 /nfs/dbraw/zinc/86/45/79/436864579.db2.gz QOERWMHQBYJFLF-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO CCCn1cc[nH+]c1CN1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000257303381 436866893 /nfs/dbraw/zinc/86/68/93/436866893.db2.gz SGZOTHKINFAEDG-QGZVFWFLSA-N 1 2 336.436 0.743 40 0 ECABLO CC(C)[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H]1C(N)=O ZINC000257326890 436872272 /nfs/dbraw/zinc/87/22/72/436872272.db2.gz WZAJQCOKNSGOMM-OAHLLOKOSA-N 1 2 343.431 0.902 40 0 ECABLO CC(C)[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H]1C(N)=O ZINC000257326890 436872273 /nfs/dbraw/zinc/87/22/73/436872273.db2.gz WZAJQCOKNSGOMM-OAHLLOKOSA-N 1 2 343.431 0.902 40 0 ECABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000306139109 437168584 /nfs/dbraw/zinc/16/85/84/437168584.db2.gz SPTNMHUBMPGNHX-AWEZNQCLSA-N 1 2 346.435 0.320 40 0 ECABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306139109 437168588 /nfs/dbraw/zinc/16/85/88/437168588.db2.gz SPTNMHUBMPGNHX-AWEZNQCLSA-N 1 2 346.435 0.320 40 0 ECABLO Cn1cnc(C(=O)N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000585113541 439631022 /nfs/dbraw/zinc/63/10/22/439631022.db2.gz DEHODZNHBPMMTI-QGZVFWFLSA-N 1 2 342.403 0.579 40 0 ECABLO CCCn1cc[nH+]c1CN1CCO[C@@](COC)(CC(=O)N(C)C)C1 ZINC000585276194 439637030 /nfs/dbraw/zinc/63/70/30/439637030.db2.gz DPHJIPOWNYRWJW-KRWDZBQOSA-N 1 2 338.452 0.989 40 0 ECABLO O=C(Cn1cc[nH+]c1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585275711 439637491 /nfs/dbraw/zinc/63/74/91/439637491.db2.gz IKFQZCPGPADLKU-KRWDZBQOSA-N 1 2 333.363 0.855 40 0 ECABLO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 ZINC000585275533 439637694 /nfs/dbraw/zinc/63/76/94/439637694.db2.gz CIJVOEQWZWORID-HOTGVXAUSA-N 1 2 346.406 1.566 40 0 ECABLO Cn1ccc(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 ZINC000585275533 439637696 /nfs/dbraw/zinc/63/76/96/439637696.db2.gz CIJVOEQWZWORID-HOTGVXAUSA-N 1 2 346.406 1.566 40 0 ECABLO O[C@H]1CC[N@@H+](C2COC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585284643 439640442 /nfs/dbraw/zinc/64/04/42/439640442.db2.gz YZOLUTMOZAPCEA-ZFWWWQNUSA-N 1 2 333.306 0.679 40 0 ECABLO O[C@H]1CC[N@H+](C2COC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585284643 439640444 /nfs/dbraw/zinc/64/04/44/439640444.db2.gz YZOLUTMOZAPCEA-ZFWWWQNUSA-N 1 2 333.306 0.679 40 0 ECABLO CCS(=O)(=O)NC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21 ZINC000253491574 535673991 /nfs/dbraw/zinc/67/39/91/535673991.db2.gz NBIKKAQNAUCXGE-HNNXBMFYSA-N 1 2 342.465 0.606 40 0 ECABLO CCS(=O)(=O)NC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21 ZINC000253491574 535673997 /nfs/dbraw/zinc/67/39/97/535673997.db2.gz NBIKKAQNAUCXGE-HNNXBMFYSA-N 1 2 342.465 0.606 40 0 ECABLO O=S(=O)(c1ccccc1F)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257201056 244120941 /nfs/dbraw/zinc/12/09/41/244120941.db2.gz AFZSYAAITQXRLU-OAHLLOKOSA-N 1 2 344.408 0.283 40 0 ECABLO CNC(=O)[C@]1(C)CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CCO1 ZINC000072379774 203210588 /nfs/dbraw/zinc/21/05/88/203210588.db2.gz UUVFTPFKCBINRX-KRWDZBQOSA-N 1 2 330.388 0.708 40 0 ECABLO CC(=O)N1CCC(c2nccnc2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000257260038 244294119 /nfs/dbraw/zinc/29/41/19/244294119.db2.gz LBCDTHRINAVBHN-UHFFFAOYSA-N 1 2 342.403 0.715 40 0 ECABLO CS(=O)(=O)N1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000107243585 204230712 /nfs/dbraw/zinc/23/07/12/204230712.db2.gz DYEFBYWUAZSOQZ-DZGCQCFKSA-N 1 2 341.433 0.561 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CN2CCOCC2)CC[N@@H+]1C ZINC000257206006 295391468 /nfs/dbraw/zinc/39/14/68/295391468.db2.gz BBLRVPOJPABSDJ-INIZCTEOSA-N 1 2 333.432 0.843 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CN2CCOCC2)CC[N@H+]1C ZINC000257206006 295391469 /nfs/dbraw/zinc/39/14/69/295391469.db2.gz BBLRVPOJPABSDJ-INIZCTEOSA-N 1 2 333.432 0.843 40 0 ECABLO O=C(NC1CC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197588 436520404 /nfs/dbraw/zinc/52/04/04/436520404.db2.gz JAQIAAIXLMOTAW-UHFFFAOYSA-N 1 2 328.376 0.566 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)no1 ZINC000096206930 436523245 /nfs/dbraw/zinc/52/32/45/436523245.db2.gz JVZBIFOPMQYXFF-DOMZBBRYSA-N 1 2 341.433 0.513 40 0 ECABLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)no1 ZINC000096206930 436523248 /nfs/dbraw/zinc/52/32/48/436523248.db2.gz JVZBIFOPMQYXFF-DOMZBBRYSA-N 1 2 341.433 0.513 40 0 ECABLO COc1ncccc1C[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC000096041567 436505349 /nfs/dbraw/zinc/50/53/49/436505349.db2.gz ONSCVFSXEQCTOR-ZMSDIMECSA-N 1 2 349.431 0.927 40 0 ECABLO COc1ncccc1C[N@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC000096041567 436505352 /nfs/dbraw/zinc/50/53/52/436505352.db2.gz ONSCVFSXEQCTOR-ZMSDIMECSA-N 1 2 349.431 0.927 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096230131 436527062 /nfs/dbraw/zinc/52/70/62/436527062.db2.gz PWTJVRJPBLVWGG-OAHLLOKOSA-N 1 2 335.448 0.711 40 0 ECABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096230131 436527065 /nfs/dbraw/zinc/52/70/65/436527065.db2.gz PWTJVRJPBLVWGG-OAHLLOKOSA-N 1 2 335.448 0.711 40 0 ECABLO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCOC[C@@H]1C)N1CCCC1=O ZINC000110587683 436628311 /nfs/dbraw/zinc/62/83/11/436628311.db2.gz RBKQLJLNIZCACP-YCPHGPKFSA-N 1 2 325.453 0.859 40 0 ECABLO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCOC[C@@H]1C)N1CCCC1=O ZINC000110587683 436628314 /nfs/dbraw/zinc/62/83/14/436628314.db2.gz RBKQLJLNIZCACP-YCPHGPKFSA-N 1 2 325.453 0.859 40 0 ECABLO CC(C)c1ccc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000257229338 436859091 /nfs/dbraw/zinc/85/90/91/436859091.db2.gz FXSGOSSLCGQAEJ-HUUCEWRRSA-N 1 2 335.404 0.428 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[N@@H+]1C(C)C ZINC000257220512 436859275 /nfs/dbraw/zinc/85/92/75/436859275.db2.gz DLBVMPADRGBREE-AWEZNQCLSA-N 1 2 333.436 0.569 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[N@H+]1C(C)C ZINC000257220512 436859277 /nfs/dbraw/zinc/85/92/77/436859277.db2.gz DLBVMPADRGBREE-AWEZNQCLSA-N 1 2 333.436 0.569 40 0 ECABLO CNc1ncccc1C[N@@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257289894 436864287 /nfs/dbraw/zinc/86/42/87/436864287.db2.gz QAQWIPWNALXREE-HOTGVXAUSA-N 1 2 346.431 0.714 40 0 ECABLO CNc1ncccc1C[N@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257289894 436864288 /nfs/dbraw/zinc/86/42/88/436864288.db2.gz QAQWIPWNALXREE-HOTGVXAUSA-N 1 2 346.431 0.714 40 0 ECABLO C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306131114 437168608 /nfs/dbraw/zinc/16/86/08/437168608.db2.gz JXBZLYRBPQRZSQ-UONOGXRCSA-N 1 2 346.412 0.743 40 0 ECABLO C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306131114 437168610 /nfs/dbraw/zinc/16/86/10/437168610.db2.gz JXBZLYRBPQRZSQ-UONOGXRCSA-N 1 2 346.412 0.743 40 0 ECABLO O=C(NCC1CC1)[C@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000585095958 439628291 /nfs/dbraw/zinc/62/82/91/439628291.db2.gz VDRSRDSZWMANBY-CQSZACIVSA-N 1 2 326.360 0.396 40 0 ECABLO COCCc1c[nH+]c2n1CCN(S(=O)(=O)c1cn(C)cn1)[C@H]2C ZINC000585098776 439629982 /nfs/dbraw/zinc/62/99/82/439629982.db2.gz ZZABOMRVEXJBLX-NSHDSACASA-N 1 2 339.421 0.571 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccn1)N(C(=O)c1cocn1)C2 ZINC000585094610 439628155 /nfs/dbraw/zinc/62/81/55/439628155.db2.gz FNBGTCIXHGNENQ-NSHDSACASA-N 1 2 340.343 0.844 40 0 ECABLO COc1cc(OC)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902765 242075074 /nfs/dbraw/zinc/07/50/74/242075074.db2.gz PWXUNFBGHAUODN-UHFFFAOYSA-N 1 2 327.410 0.112 40 0 ECABLO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cnn(C)c1)C2 ZINC000248163516 243544911 /nfs/dbraw/zinc/54/49/11/243544911.db2.gz YUAWHQZLXQDBAB-CQSZACIVSA-N 1 2 342.465 0.340 40 0 ECABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H]2NC(=O)CO[C@H]2CC1 ZINC000257227769 244208076 /nfs/dbraw/zinc/20/80/76/244208076.db2.gz FQUMQHBANYRZEY-ZFWWWQNUSA-N 1 2 342.399 0.691 40 0 ECABLO CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350622 203204608 /nfs/dbraw/zinc/20/46/08/203204608.db2.gz OIYYREXUJVIQMW-GFCCVEGCSA-N 1 2 336.421 0.648 40 0 ECABLO Cn1c[nH+]cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccc(CC(=O)[O-])cc2)C1 ZINC000257267837 244368157 /nfs/dbraw/zinc/36/81/57/244368157.db2.gz MIYIHMFZDBBMRM-HZPDHXFCSA-N 1 2 331.372 0.671 40 0 ECABLO Cn1c[nH+]cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccc(CC(=O)[O-])cc2)C1 ZINC000257267837 244368164 /nfs/dbraw/zinc/36/81/64/244368164.db2.gz MIYIHMFZDBBMRM-HZPDHXFCSA-N 1 2 331.372 0.671 40 0 ECABLO Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)s1 ZINC000257273339 244387258 /nfs/dbraw/zinc/38/72/58/244387258.db2.gz NGDURFDTHUAACC-XJKCOSOUSA-N 1 2 337.445 0.039 40 0 ECABLO Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)s1 ZINC000257273339 244387261 /nfs/dbraw/zinc/38/72/61/244387261.db2.gz NGDURFDTHUAACC-XJKCOSOUSA-N 1 2 337.445 0.039 40 0 ECABLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)cn1 ZINC000107201422 204228954 /nfs/dbraw/zinc/22/89/54/204228954.db2.gz PZGLSNBAYLURNR-YRGRVCCFSA-N 1 2 333.417 0.506 40 0 ECABLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)cn1 ZINC000107201422 204228955 /nfs/dbraw/zinc/22/89/55/204228955.db2.gz PZGLSNBAYLURNR-YRGRVCCFSA-N 1 2 333.417 0.506 40 0 ECABLO Cn1cc([C@@H]2CC(=O)NC23CC[NH+](Cc2nccn2C)CC3)cn1 ZINC000096199761 436523126 /nfs/dbraw/zinc/52/31/26/436523126.db2.gz IBIBQAGBTMKLOA-AWEZNQCLSA-N 1 2 328.420 0.792 40 0 ECABLO Cc1cc(C(=O)N2CCc3[nH+]cc(CN4CCOCC4)n3CC2)no1 ZINC000096196913 436520532 /nfs/dbraw/zinc/52/05/32/436520532.db2.gz OLDIDZPQRGOGFP-UHFFFAOYSA-N 1 2 345.403 0.710 40 0 ECABLO COC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000096187757 436521962 /nfs/dbraw/zinc/52/19/62/436521962.db2.gz SENMQUDGOHEZIA-LLVKDONJSA-N 1 2 325.394 0.084 40 0 ECABLO O=C([C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000096041156 436505201 /nfs/dbraw/zinc/50/52/01/436505201.db2.gz MASLJDSVDWLQSW-MELADBBJSA-N 1 2 337.445 0.839 40 0 ECABLO O=C([C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000096041156 436505204 /nfs/dbraw/zinc/50/52/04/436505204.db2.gz MASLJDSVDWLQSW-MELADBBJSA-N 1 2 337.445 0.839 40 0 ECABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@@H+](Cc1ccncc1)C2 ZINC000096059622 436509123 /nfs/dbraw/zinc/50/91/23/436509123.db2.gz RFJKCSBZPRXARB-UHFFFAOYSA-N 1 2 337.387 0.684 40 0 ECABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@H+](Cc1ccncc1)C2 ZINC000096059622 436509128 /nfs/dbraw/zinc/50/91/28/436509128.db2.gz RFJKCSBZPRXARB-UHFFFAOYSA-N 1 2 337.387 0.684 40 0 ECABLO C[NH+]1CCN(C(=O)c2cc3c(s2)CCN3S(C)(=O)=O)CC1 ZINC000096087956 436511697 /nfs/dbraw/zinc/51/16/97/436511697.db2.gz AIAXIUADVWURCO-UHFFFAOYSA-N 1 2 329.447 0.458 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096086924 436512635 /nfs/dbraw/zinc/51/26/35/436512635.db2.gz SNDLVRCHNMYCCO-CQSZACIVSA-N 1 2 344.419 0.414 40 0 ECABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096086924 436512637 /nfs/dbraw/zinc/51/26/37/436512637.db2.gz SNDLVRCHNMYCCO-CQSZACIVSA-N 1 2 344.419 0.414 40 0 ECABLO Cc1nc(C(=O)NC[C@@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)co1 ZINC000257285025 436862612 /nfs/dbraw/zinc/86/26/12/436862612.db2.gz PFHIEDUVIFQXNC-INIZCTEOSA-N 1 2 346.391 0.210 40 0 ECABLO Cc1nc(C(=O)NC[C@@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)co1 ZINC000257285025 436862616 /nfs/dbraw/zinc/86/26/16/436862616.db2.gz PFHIEDUVIFQXNC-INIZCTEOSA-N 1 2 346.391 0.210 40 0 ECABLO CCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1 ZINC000257291246 436863581 /nfs/dbraw/zinc/86/35/81/436863581.db2.gz QGFRTGUJTSKPGE-HZPDHXFCSA-N 1 2 329.404 0.582 40 0 ECABLO CCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1 ZINC000257291246 436863582 /nfs/dbraw/zinc/86/35/82/436863582.db2.gz QGFRTGUJTSKPGE-HZPDHXFCSA-N 1 2 329.404 0.582 40 0 ECABLO CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000257295817 436864651 /nfs/dbraw/zinc/86/46/51/436864651.db2.gz QZZZYFYSDMOVFK-QGZVFWFLSA-N 1 2 344.419 0.553 40 0 ECABLO CC(=O)N1CCC(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)CC1 ZINC000257297619 436866206 /nfs/dbraw/zinc/86/62/06/436866206.db2.gz RIDPZNCYMDNSHF-SFHVURJKSA-N 1 2 346.431 0.398 40 0 ECABLO CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@H](c3ccnc(C)n3)C2)CC1 ZINC000257327833 436873240 /nfs/dbraw/zinc/87/32/40/436873240.db2.gz XCYZNLQIQZPHBR-INIZCTEOSA-N 1 2 334.420 0.532 40 0 ECABLO CC(=O)N1CCC(O)(C[N@H+]2CCO[C@H](c3ccnc(C)n3)C2)CC1 ZINC000257327833 436873245 /nfs/dbraw/zinc/87/32/45/436873245.db2.gz XCYZNLQIQZPHBR-INIZCTEOSA-N 1 2 334.420 0.532 40 0 ECABLO CC(=O)NCc1nccnc1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000257342549 436874034 /nfs/dbraw/zinc/87/40/34/436874034.db2.gz ZPEHCJMSOLMFFP-UHFFFAOYSA-N 1 2 342.403 0.715 40 0 ECABLO Cn1nccc1C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 ZINC000108531414 303066406 /nfs/dbraw/zinc/06/64/06/303066406.db2.gz CJTJMUWQHVALAI-GJZGRUSLSA-N 1 2 340.449 0.187 40 0 ECABLO Cn1nccc1C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 ZINC000108531414 303066407 /nfs/dbraw/zinc/06/64/07/303066407.db2.gz CJTJMUWQHVALAI-GJZGRUSLSA-N 1 2 340.449 0.187 40 0 ECABLO CCn1cc(C[N@H+]2Cc3ccnn3[C@@H](C(=O)NCCOC)C2)cn1 ZINC000306129654 437164231 /nfs/dbraw/zinc/16/42/31/437164231.db2.gz IJALNODIGWQHIZ-OAHLLOKOSA-N 1 2 332.408 0.419 40 0 ECABLO CCn1cc(C[N@@H+]2Cc3ccnn3[C@@H](C(=O)NCCOC)C2)cn1 ZINC000306129654 437164236 /nfs/dbraw/zinc/16/42/36/437164236.db2.gz IJALNODIGWQHIZ-OAHLLOKOSA-N 1 2 332.408 0.419 40 0 ECABLO OCCCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329069782 437313977 /nfs/dbraw/zinc/31/39/77/437313977.db2.gz ZAWJNRWMASSMCJ-AWEZNQCLSA-N 1 2 329.404 0.768 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575406183 438747378 /nfs/dbraw/zinc/74/73/78/438747378.db2.gz XSGILHCGSQWFPJ-IMJJTQAJSA-N 1 2 349.475 0.859 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575406183 438747379 /nfs/dbraw/zinc/74/73/79/438747379.db2.gz XSGILHCGSQWFPJ-IMJJTQAJSA-N 1 2 349.475 0.859 40 0 ECABLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403977 438747915 /nfs/dbraw/zinc/74/79/15/438747915.db2.gz KDVFXFFINIYSNT-BMFZPTHFSA-N 1 2 347.459 0.567 40 0 ECABLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403977 438747916 /nfs/dbraw/zinc/74/79/16/438747916.db2.gz KDVFXFFINIYSNT-BMFZPTHFSA-N 1 2 347.459 0.567 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575406181 438748021 /nfs/dbraw/zinc/74/80/21/438748021.db2.gz XSGILHCGSQWFPJ-BMFZPTHFSA-N 1 2 349.475 0.859 40 0 ECABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575406181 438748024 /nfs/dbraw/zinc/74/80/24/438748024.db2.gz XSGILHCGSQWFPJ-BMFZPTHFSA-N 1 2 349.475 0.859 40 0 ECABLO O=C(c1cocn1)N1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1 ZINC000585097609 439629690 /nfs/dbraw/zinc/62/96/90/439629690.db2.gz NNVPOVMJHKKPLY-ZDUSSCGKSA-N 1 2 331.376 0.618 40 0 ECABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1(F)CCC1)C2 ZINC000585110269 439630328 /nfs/dbraw/zinc/63/03/28/439630328.db2.gz URUSASRNSJULEU-UHFFFAOYSA-N 1 2 349.410 0.542 40 0 ECABLO CN1CC[NH+]([C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@H]2O)CC1 ZINC000585182239 439635834 /nfs/dbraw/zinc/63/58/34/439635834.db2.gz PGFHMVSWCVFGLU-QZTJIDSGSA-N 1 2 342.443 0.530 40 0 ECABLO O=C(C1CCC(F)(F)CC1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288222 439641879 /nfs/dbraw/zinc/64/18/79/439641879.db2.gz SAZXKMJAYWULID-MCIONIFRSA-N 1 2 348.390 0.077 40 0 ECABLO CN(C)C(=O)COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cnn(C)c1 ZINC000585094943 439627842 /nfs/dbraw/zinc/62/78/42/439627842.db2.gz VRAARCQLUBKSOW-AWEZNQCLSA-N 1 2 346.435 0.185 40 0 ECABLO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000257200713 244117354 /nfs/dbraw/zinc/11/73/54/244117354.db2.gz AEPAFOFNRQYYDD-BFYDXBDKSA-N 1 2 348.447 0.633 40 0 ECABLO Cc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257214871 244163572 /nfs/dbraw/zinc/16/35/72/244163572.db2.gz CNUWDKKXJGPSMT-GPMSIDNRSA-N 1 2 345.443 0.320 40 0 ECABLO Cc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257214871 244163581 /nfs/dbraw/zinc/16/35/81/244163581.db2.gz CNUWDKKXJGPSMT-GPMSIDNRSA-N 1 2 345.443 0.320 40 0 ECABLO COc1ccccc1CCC(=O)N1CC[N@H+](C)[C@@H](C(=O)N(C)C)C1 ZINC000257221632 244186373 /nfs/dbraw/zinc/18/63/73/244186373.db2.gz DPXOVXGQVNGIOT-OAHLLOKOSA-N 1 2 333.432 0.859 40 0 ECABLO COc1ccccc1CCC(=O)N1CC[N@@H+](C)[C@@H](C(=O)N(C)C)C1 ZINC000257221632 244186379 /nfs/dbraw/zinc/18/63/79/244186379.db2.gz DPXOVXGQVNGIOT-OAHLLOKOSA-N 1 2 333.432 0.859 40 0 ECABLO COc1ccccc1CCC(=O)N1CC[N@H+](C)[C@H](C(=O)N(C)C)C1 ZINC000257221631 244186411 /nfs/dbraw/zinc/18/64/11/244186411.db2.gz DPXOVXGQVNGIOT-HNNXBMFYSA-N 1 2 333.432 0.859 40 0 ECABLO COc1ccccc1CCC(=O)N1CC[N@@H+](C)[C@H](C(=O)N(C)C)C1 ZINC000257221631 244186414 /nfs/dbraw/zinc/18/64/14/244186414.db2.gz DPXOVXGQVNGIOT-HNNXBMFYSA-N 1 2 333.432 0.859 40 0 ECABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257243265 244250610 /nfs/dbraw/zinc/25/06/10/244250610.db2.gz IGDKBZSIOVBIKS-QGZVFWFLSA-N 1 2 344.419 0.618 40 0 ECABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257243265 244250616 /nfs/dbraw/zinc/25/06/16/244250616.db2.gz IGDKBZSIOVBIKS-QGZVFWFLSA-N 1 2 344.419 0.618 40 0 ECABLO Cc1nonc1CC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257232950 244218808 /nfs/dbraw/zinc/21/88/08/244218808.db2.gz GNBUAPZWRMYKRK-MRXNPFEDSA-N 1 2 331.376 0.463 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@@H](C(=O)N2CC(c3cc4cccnc4[nH]3)C2)C1 ZINC000257263161 244353925 /nfs/dbraw/zinc/35/39/25/244353925.db2.gz LORDDUAPAFNFTF-MRXNPFEDSA-N 1 2 341.415 0.651 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@@H](C(=O)N2CC(c3cc4cccnc4[nH]3)C2)C1 ZINC000257263161 244353931 /nfs/dbraw/zinc/35/39/31/244353931.db2.gz LORDDUAPAFNFTF-MRXNPFEDSA-N 1 2 341.415 0.651 40 0 ECABLO CNc1c(Br)cncc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000072210911 257690427 /nfs/dbraw/zinc/69/04/27/257690427.db2.gz JYAGVYHHXKDAJC-UHFFFAOYSA-N 1 2 349.254 0.822 40 0 ECABLO O=C([C@H]1CN(c2ncc(F)cn2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000247847045 280143573 /nfs/dbraw/zinc/14/35/73/280143573.db2.gz HHBQZHIGRAVRLY-CYBMUJFWSA-N 1 2 332.339 0.928 40 0 ECABLO Cc1cc(=O)[nH]c(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000072341815 436043708 /nfs/dbraw/zinc/04/37/08/436043708.db2.gz RUUZIIZZMISQSC-CYBMUJFWSA-N 1 2 333.436 0.459 40 0 ECABLO C[C@@H]1CC(=O)N=C(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000019141981 436105797 /nfs/dbraw/zinc/10/57/97/436105797.db2.gz WDROVQIUPOGTLG-GFCCVEGCSA-N 1 2 347.444 0.728 40 0 ECABLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccoc1)CCC2 ZINC000096197624 436522043 /nfs/dbraw/zinc/52/20/43/436522043.db2.gz LOFLSQQTXRZOQY-UHFFFAOYSA-N 1 2 346.387 0.505 40 0 ECABLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccoc1)CCC2 ZINC000096197624 436522046 /nfs/dbraw/zinc/52/20/46/436522046.db2.gz LOFLSQQTXRZOQY-UHFFFAOYSA-N 1 2 346.387 0.505 40 0 ECABLO CN(C)C(=O)N1CC[N@H+](Cc2nccs2)C[C@]2(CNC(=O)C2)C1 ZINC000096035969 436505026 /nfs/dbraw/zinc/50/50/26/436505026.db2.gz CYBXGTZTIBLCGC-HNNXBMFYSA-N 1 2 337.449 0.449 40 0 ECABLO CN(C)C(=O)N1CC[N@@H+](Cc2nccs2)C[C@]2(CNC(=O)C2)C1 ZINC000096035969 436505030 /nfs/dbraw/zinc/50/50/30/436505030.db2.gz CYBXGTZTIBLCGC-HNNXBMFYSA-N 1 2 337.449 0.449 40 0 ECABLO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCN(c4ncc(F)cn4)C[C@H]3O2)CC1 ZINC000096042949 436505126 /nfs/dbraw/zinc/50/51/26/436505126.db2.gz AKCUJICNRCWJST-AEGPPILISA-N 1 2 349.410 0.374 40 0 ECABLO Cc1ccc(N2CC[C@H]3C[C@H](C(=O)N4CC[NH+](C)CC4)O[C@H]3C2)nn1 ZINC000096043208 436505213 /nfs/dbraw/zinc/50/52/13/436505213.db2.gz HBMKFBYJRBFWKB-XHSDSOJGSA-N 1 2 345.447 0.543 40 0 ECABLO Cn1cc(N2C[C@]3(CC[N@H+](Cc4nccs4)C3)N(C)CC2=O)cn1 ZINC000096050348 436506997 /nfs/dbraw/zinc/50/69/97/436506997.db2.gz BTVWDKFTDYXYJF-MRXNPFEDSA-N 1 2 346.460 0.800 40 0 ECABLO Cn1cc(N2C[C@]3(CC[N@@H+](Cc4nccs4)C3)N(C)CC2=O)cn1 ZINC000096050348 436506999 /nfs/dbraw/zinc/50/69/99/436506999.db2.gz BTVWDKFTDYXYJF-MRXNPFEDSA-N 1 2 346.460 0.800 40 0 ECABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)o1 ZINC000096060698 436508168 /nfs/dbraw/zinc/50/81/68/436508168.db2.gz AJBOHRLJOMPGEG-ZDUSSCGKSA-N 1 2 347.419 0.921 40 0 ECABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)o1 ZINC000096060698 436508171 /nfs/dbraw/zinc/50/81/71/436508171.db2.gz AJBOHRLJOMPGEG-ZDUSSCGKSA-N 1 2 347.419 0.921 40 0 ECABLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cc1 ZINC000096081668 436510982 /nfs/dbraw/zinc/51/09/82/436510982.db2.gz XHZLIVNUTIGHSW-HZPDHXFCSA-N 1 2 347.415 0.195 40 0 ECABLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)cc1 ZINC000096081668 436510987 /nfs/dbraw/zinc/51/09/87/436510987.db2.gz XHZLIVNUTIGHSW-HZPDHXFCSA-N 1 2 347.415 0.195 40 0 ECABLO CC(C)C(=O)N1CC[N@H+](Cc2cnn(C)c2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238351 436525963 /nfs/dbraw/zinc/52/59/63/436525963.db2.gz UVWQBACQPYJHDR-GOSISDBHSA-N 1 2 347.463 0.759 40 0 ECABLO CC(C)C(=O)N1CC[N@@H+](Cc2cnn(C)c2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238351 436525967 /nfs/dbraw/zinc/52/59/67/436525967.db2.gz UVWQBACQPYJHDR-GOSISDBHSA-N 1 2 347.463 0.759 40 0 ECABLO CN(C)C(=O)COCc1nnn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096256059 436528766 /nfs/dbraw/zinc/52/87/66/436528766.db2.gz JKDXBZIXFDFMLI-UHFFFAOYSA-N 1 2 333.392 0.882 40 0 ECABLO CN(C)C(=O)COCc1nnn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096256059 436528768 /nfs/dbraw/zinc/52/87/68/436528768.db2.gz JKDXBZIXFDFMLI-UHFFFAOYSA-N 1 2 333.392 0.882 40 0 ECABLO CC(=O)Nc1ncc(S(=O)(=O)NCCC[NH+]2CCOCC2)s1 ZINC000223810158 436708611 /nfs/dbraw/zinc/70/86/11/436708611.db2.gz KPPDTVLGOLQLIE-UHFFFAOYSA-N 1 2 348.450 0.102 40 0 ECABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3cccnc3)C2)OC1 ZINC000247496676 436795332 /nfs/dbraw/zinc/79/53/32/436795332.db2.gz DFGJPPNQRIZLIZ-CQSZACIVSA-N 1 2 325.434 0.612 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccoc3C)C2)C[N@@H+]1CC1CC1 ZINC000248028559 436799387 /nfs/dbraw/zinc/79/93/87/436799387.db2.gz OKJIBZMMEVCXIR-OAHLLOKOSA-N 1 2 347.415 0.639 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccoc3C)C2)C[N@H+]1CC1CC1 ZINC000248028559 436799389 /nfs/dbraw/zinc/79/93/89/436799389.db2.gz OKJIBZMMEVCXIR-OAHLLOKOSA-N 1 2 347.415 0.639 40 0 ECABLO Cc1ccc(N2CC3(C2)C[N@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)nn1 ZINC000247985284 436799483 /nfs/dbraw/zinc/79/94/83/436799483.db2.gz KKLVOWLEIZPNJT-OAHLLOKOSA-N 1 2 345.447 0.543 40 0 ECABLO Cc1ccc(N2CC3(C2)C[N@@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)nn1 ZINC000247985284 436799484 /nfs/dbraw/zinc/79/94/84/436799484.db2.gz KKLVOWLEIZPNJT-OAHLLOKOSA-N 1 2 345.447 0.543 40 0 ECABLO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1cnn(C)c1)C2 ZINC000248163512 436800188 /nfs/dbraw/zinc/80/01/88/436800188.db2.gz YUAWHQZLXQDBAB-AWEZNQCLSA-N 1 2 342.465 0.340 40 0 ECABLO CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000257327834 436872423 /nfs/dbraw/zinc/87/24/23/436872423.db2.gz XCYZNLQIQZPHBR-MRXNPFEDSA-N 1 2 334.420 0.532 40 0 ECABLO CC(=O)N1CCC(O)(C[N@H+]2CCO[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000257327834 436872429 /nfs/dbraw/zinc/87/24/29/436872429.db2.gz XCYZNLQIQZPHBR-MRXNPFEDSA-N 1 2 334.420 0.532 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cn(C)cn1 ZINC000257342076 436875636 /nfs/dbraw/zinc/87/56/36/436875636.db2.gz ZMYWANDNFCGKHQ-KRWDZBQOSA-N 1 2 329.404 0.919 40 0 ECABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCn3cc[nH+]c3)C2)ncn1 ZINC000257344416 436877210 /nfs/dbraw/zinc/87/72/10/436877210.db2.gz ZXCMWZCWXIAIBT-QGZVFWFLSA-N 1 2 344.419 0.471 40 0 ECABLO COc1ccc2[nH]cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000299851032 437112680 /nfs/dbraw/zinc/11/26/80/437112680.db2.gz USDBZFYAGGOZSU-IAGOWNOFSA-N 1 2 345.399 0.694 40 0 ECABLO O=c1[nH]nc2n(c1=O)C[C@]1(CC[N@@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306137391 437167515 /nfs/dbraw/zinc/16/75/15/437167515.db2.gz QVESMDHSMVYKFC-MRXNPFEDSA-N 1 2 332.335 0.246 40 0 ECABLO O=c1[nH]nc2n(c1=O)C[C@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306137391 437167520 /nfs/dbraw/zinc/16/75/20/437167520.db2.gz QVESMDHSMVYKFC-MRXNPFEDSA-N 1 2 332.335 0.246 40 0 ECABLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(Cl)c2)C[C@H](O)CO)C1 ZINC000575420769 438748377 /nfs/dbraw/zinc/74/83/77/438748377.db2.gz KLPSEYQJDFDTAA-KBPBESRZSA-N 1 2 333.837 0.682 40 0 ECABLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(Cl)c2)C[C@H](O)CO)C1 ZINC000575420769 438748378 /nfs/dbraw/zinc/74/83/78/438748378.db2.gz KLPSEYQJDFDTAA-KBPBESRZSA-N 1 2 333.837 0.682 40 0 ECABLO O=C(c1cnccn1)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585097314 439629359 /nfs/dbraw/zinc/62/93/59/439629359.db2.gz JZQSQCRPVCGKQA-CQSZACIVSA-N 1 2 342.403 0.420 40 0 ECABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@@H](CNS(C)(=O)=O)CO2 ZINC000585104949 439630188 /nfs/dbraw/zinc/63/01/88/439630188.db2.gz MSHHZVLZACVNLN-LBPRGKRZSA-N 1 2 345.490 0.982 40 0 ECABLO Cc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585287986 439640559 /nfs/dbraw/zinc/64/05/59/439640559.db2.gz KSQZSEZXHANEAX-VTTNGFJVSA-N 1 2 346.427 0.273 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCC(=O)N(C)C)no1 ZINC000585094719 439627720 /nfs/dbraw/zinc/62/77/20/439627720.db2.gz JAABIQIEIFYLGM-AWEZNQCLSA-N 1 2 347.419 0.748 40 0 ECABLO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000019497884 202008497 /nfs/dbraw/zinc/00/84/97/202008497.db2.gz PAWSZMTZJCLLQI-BLLLJJGKSA-N 1 2 340.445 0.763 40 0 ECABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230352 284021784 /nfs/dbraw/zinc/02/17/84/284021784.db2.gz PUWNMBHSJKJIDM-NPSOMJIGSA-N 1 2 346.383 0.979 40 0 ECABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)[nH+]1 ZINC000257213605 244160238 /nfs/dbraw/zinc/16/02/38/244160238.db2.gz CIHOJLJMBAIZEV-LLVKDONJSA-N 1 2 331.376 0.103 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)Cn1cccn1 ZINC000257231306 244214318 /nfs/dbraw/zinc/21/43/18/244214318.db2.gz GGCSSPQAZIMVEI-QGZVFWFLSA-N 1 2 329.404 0.768 40 0 ECABLO Cc1nonc1CC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257232949 244219145 /nfs/dbraw/zinc/21/91/45/244219145.db2.gz GNBUAPZWRMYKRK-INIZCTEOSA-N 1 2 331.376 0.463 40 0 ECABLO CCn1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1C ZINC000257235101 244225821 /nfs/dbraw/zinc/22/58/21/244225821.db2.gz GWLCDVLEOOFRIG-IAGOWNOFSA-N 1 2 343.431 0.890 40 0 ECABLO CCn1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1C ZINC000257235101 244225828 /nfs/dbraw/zinc/22/58/28/244225828.db2.gz GWLCDVLEOOFRIG-IAGOWNOFSA-N 1 2 343.431 0.890 40 0 ECABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCOCC1 ZINC000072347622 203203156 /nfs/dbraw/zinc/20/31/56/203203156.db2.gz WJQAGZZAKQVJDI-UHFFFAOYSA-N 1 2 345.399 0.460 40 0 ECABLO COc1ccccc1C(=O)N1CC[C@H](O)[C@@H](N2CC[NH+](C)CC2)CC1 ZINC000257239984 244241725 /nfs/dbraw/zinc/24/17/25/244241725.db2.gz HRQGXDIEKBSMEP-IRXDYDNUSA-N 1 2 347.459 0.908 40 0 ECABLO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072367061 203208273 /nfs/dbraw/zinc/20/82/73/203208273.db2.gz HPWGMPVVHKDANH-AWEZNQCLSA-N 1 2 333.436 0.689 40 0 ECABLO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072367061 203208276 /nfs/dbraw/zinc/20/82/76/203208276.db2.gz HPWGMPVVHKDANH-AWEZNQCLSA-N 1 2 333.436 0.689 40 0 ECABLO Cc1ocnc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257257222 244284230 /nfs/dbraw/zinc/28/42/30/244284230.db2.gz KOQFRFYOAIQNEZ-INIZCTEOSA-N 1 2 331.376 0.843 40 0 ECABLO O=C(c1ccnnc1)N1CC[C@@]2(C1)CN(c1cccc[nH+]1)CCO2 ZINC000306141291 257924510 /nfs/dbraw/zinc/92/45/10/257924510.db2.gz VQRXYBPEUJLIFZ-KRWDZBQOSA-N 1 2 325.372 0.993 40 0 ECABLO CS(=O)(=O)Nc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000013677365 436064504 /nfs/dbraw/zinc/06/45/04/436064504.db2.gz SXVIYMHYNWNGFI-UHFFFAOYSA-N 1 2 327.406 0.120 40 0 ECABLO O=C(c1ccc[nH]1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160299 436516885 /nfs/dbraw/zinc/51/68/85/436516885.db2.gz QDXPSVZVYULIMF-CRAIPNDOSA-N 1 2 349.431 0.737 40 0 ECABLO CN(C)S(=O)(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044943 436504175 /nfs/dbraw/zinc/50/41/75/436504175.db2.gz VCRSKPNYZWJQES-GFCCVEGCSA-N 1 2 328.438 0.552 40 0 ECABLO Cn1cc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)cn1 ZINC000096076701 436511000 /nfs/dbraw/zinc/51/10/00/436511000.db2.gz MZDFGBGODJGGGH-KRWDZBQOSA-N 1 2 344.419 0.318 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)cn1 ZINC000096076701 436511004 /nfs/dbraw/zinc/51/10/04/436511004.db2.gz MZDFGBGODJGGGH-KRWDZBQOSA-N 1 2 344.419 0.318 40 0 ECABLO Cc1nc(C[NH+]2CCC3(CC2)C(=O)N(CCO)CCN3C)cs1 ZINC000096230097 436527180 /nfs/dbraw/zinc/52/71/80/436527180.db2.gz JSOCWCUTLWOEEI-UHFFFAOYSA-N 1 2 338.477 0.552 40 0 ECABLO COC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000224101011 436709016 /nfs/dbraw/zinc/70/90/16/436709016.db2.gz PFFVQVQRMFTMOL-UHFFFAOYSA-N 1 2 342.417 0.474 40 0 ECABLO CN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257274806 436862815 /nfs/dbraw/zinc/86/28/15/436862815.db2.gz NMSQJXNRIINFFD-BFYDXBDKSA-N 1 2 349.406 0.612 40 0 ECABLO CN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257274806 436862819 /nfs/dbraw/zinc/86/28/19/436862819.db2.gz NMSQJXNRIINFFD-BFYDXBDKSA-N 1 2 349.406 0.612 40 0 ECABLO Cc1nn(C)cc1C(=O)NC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257297757 436866992 /nfs/dbraw/zinc/86/69/92/436866992.db2.gz RIRTZCZCXOZFJW-QGZVFWFLSA-N 1 2 344.419 0.588 40 0 ECABLO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1S(=O)(=O)c1ccccc1 ZINC000257307424 436869109 /nfs/dbraw/zinc/86/91/09/436869109.db2.gz SYOWJTIOGDOMIF-AWEZNQCLSA-N 1 2 325.434 0.516 40 0 ECABLO CNC(=O)[C@@H]1C[N@H+](C(C)C)CCN1S(=O)(=O)c1ccccc1 ZINC000257307424 436869111 /nfs/dbraw/zinc/86/91/11/436869111.db2.gz SYOWJTIOGDOMIF-AWEZNQCLSA-N 1 2 325.434 0.516 40 0 ECABLO CC(=O)NCC(=O)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257314866 436870605 /nfs/dbraw/zinc/87/06/05/436870605.db2.gz UYVUHZBQKIUFGZ-KRWDZBQOSA-N 1 2 346.431 0.713 40 0 ECABLO CC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000257327989 436872880 /nfs/dbraw/zinc/87/28/80/436872880.db2.gz XDRRJEBPNPIQFO-KRWDZBQOSA-N 1 2 332.404 0.368 40 0 ECABLO CC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514290311 438813879 /nfs/dbraw/zinc/81/38/79/438813879.db2.gz XANNTKRVKKPKCX-JKSUJKDBSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO CC(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514290311 438813884 /nfs/dbraw/zinc/81/38/84/438813884.db2.gz XANNTKRVKKPKCX-JKSUJKDBSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]c[nH]3)C2)C1 ZINC000604381869 439313150 /nfs/dbraw/zinc/31/31/50/439313150.db2.gz SGPKVMUJOZWIQX-OAHLLOKOSA-N 1 2 333.436 0.163 40 0 biogenic,in-vitro ECABLO CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH]c[nH+]3)C2)C1 ZINC000604381869 439313153 /nfs/dbraw/zinc/31/31/53/439313153.db2.gz SGPKVMUJOZWIQX-OAHLLOKOSA-N 1 2 333.436 0.163 40 0 biogenic,in-vitro ECABLO Cc1c(CN2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)[nH]c2ccccc12 ZINC000585292016 439641749 /nfs/dbraw/zinc/64/17/49/439641749.db2.gz VKQREOYOPLEMCS-QRVBRYPASA-N 1 2 345.443 0.715 40 0 ECABLO CNC(=O)[C@@H]1CN(c2cnccn2)CC[N@@H+]1CCc1ccccc1 ZINC000257242005 536368504 /nfs/dbraw/zinc/36/85/04/536368504.db2.gz IAPOVAIUONBONO-INIZCTEOSA-N 1 2 325.416 0.956 40 0 ECABLO CNC(=O)[C@@H]1CN(c2cnccn2)CC[N@H+]1CCc1ccccc1 ZINC000257242005 536368507 /nfs/dbraw/zinc/36/85/07/536368507.db2.gz IAPOVAIUONBONO-INIZCTEOSA-N 1 2 325.416 0.956 40 0 ECABLO CC(C)(C)OC(=O)N1CC[C@@H](n2cc(C(=[NH2+])NO)c(=O)[nH]c2=O)C1 ZINC000409442694 568415343 /nfs/dbraw/zinc/41/53/43/568415343.db2.gz ZHHAFSNTZFQGDO-MRVPVSSYSA-N 1 2 339.352 0.435 40 0 ECABLO C[N@H+](CC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257223751 244190867 /nfs/dbraw/zinc/19/08/67/244190867.db2.gz DYRJZSZEOJYHTK-INIZCTEOSA-N 1 2 327.388 0.904 40 0 ECABLO C[N@@H+](CC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257223751 244190872 /nfs/dbraw/zinc/19/08/72/244190872.db2.gz DYRJZSZEOJYHTK-INIZCTEOSA-N 1 2 327.388 0.904 40 0 ECABLO Cc1cccc(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257229617 244209399 /nfs/dbraw/zinc/20/93/99/244209399.db2.gz FYUFAVJGTUPLMN-KRWDZBQOSA-N 1 2 327.388 0.860 40 0 ECABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cc(CO)nn2)cc[nH+]1 ZINC000257220495 244179754 /nfs/dbraw/zinc/17/97/54/244179754.db2.gz DLBBWCBHHNMHCC-CQSZACIVSA-N 1 2 330.392 0.595 40 0 ECABLO Cc1nccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257233322 244220952 /nfs/dbraw/zinc/22/09/52/244220952.db2.gz GOSVSSUBLWFELV-QGZVFWFLSA-N 1 2 327.388 0.893 40 0 ECABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[NH2+][C@H](C(N)=O)C1 ZINC000257236089 244229211 /nfs/dbraw/zinc/22/92/11/244229211.db2.gz HASMQFIZNWJNBB-AWEZNQCLSA-N 1 2 334.807 0.958 40 0 ECABLO CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)cc[nH+]1 ZINC000072369444 203208769 /nfs/dbraw/zinc/20/87/69/203208769.db2.gz UQEGPJAXUDMPRQ-CQSZACIVSA-N 1 2 344.419 0.638 40 0 ECABLO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257260743 244347598 /nfs/dbraw/zinc/34/75/98/244347598.db2.gz LEDNHGVBKAIKRS-GJZGRUSLSA-N 1 2 328.372 0.413 40 0 ECABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3cnccn3)C2)nc[nH+]1 ZINC000257334111 244558827 /nfs/dbraw/zinc/55/88/27/244558827.db2.gz YEPUBWGJQSHGOI-INIZCTEOSA-N 1 2 328.376 0.336 40 0 ECABLO Cc1ccc(=O)n(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000130691658 205251887 /nfs/dbraw/zinc/25/18/87/205251887.db2.gz RTPSFJZHQGUZEF-AWEZNQCLSA-N 1 2 327.388 0.732 40 0 ECABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2c[nH+]cn21 ZINC000306142923 257925532 /nfs/dbraw/zinc/92/55/32/257925532.db2.gz XODQHHKUYVDNQR-CQSZACIVSA-N 1 2 338.433 0.816 40 0 ECABLO C[NH+]1CC2(C1)C(=O)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225440535 277022715 /nfs/dbraw/zinc/02/27/15/277022715.db2.gz OJMUYOIXCKDGNA-KGLIPLIRSA-N 1 2 349.818 0.328 40 0 biogenic,in-vitro ECABLO NS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047339923 436417515 /nfs/dbraw/zinc/41/75/15/436417515.db2.gz HYWUITPEBMFXPZ-UHFFFAOYSA-N 1 2 336.417 0.670 40 0 ECABLO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096044183 436504277 /nfs/dbraw/zinc/50/42/77/436504277.db2.gz UZDGCSRHXSCMBA-CQSZACIVSA-N 1 2 332.408 0.011 40 0 ECABLO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096044183 436504281 /nfs/dbraw/zinc/50/42/81/436504281.db2.gz UZDGCSRHXSCMBA-CQSZACIVSA-N 1 2 332.408 0.011 40 0 ECABLO CNC(=O)C[N@@H+]1CCOCC12CCN(C(=O)c1ccccc1)CC2 ZINC000096074666 436510592 /nfs/dbraw/zinc/51/05/92/436510592.db2.gz VWAJUZLLVORJOA-UHFFFAOYSA-N 1 2 331.416 0.740 40 0 ECABLO CNC(=O)C[N@H+]1CCOCC12CCN(C(=O)c1ccccc1)CC2 ZINC000096074666 436510596 /nfs/dbraw/zinc/51/05/96/436510596.db2.gz VWAJUZLLVORJOA-UHFFFAOYSA-N 1 2 331.416 0.740 40 0 ECABLO CS(=O)(=O)NC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21 ZINC000247519535 436794652 /nfs/dbraw/zinc/79/46/52/436794652.db2.gz KWSKSIJCXGLCKY-AWEZNQCLSA-N 1 2 328.438 0.216 40 0 ECABLO CS(=O)(=O)NC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21 ZINC000247519535 436794653 /nfs/dbraw/zinc/79/46/53/436794653.db2.gz KWSKSIJCXGLCKY-AWEZNQCLSA-N 1 2 328.438 0.216 40 0 ECABLO O=C(CCc1ccccc1F)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257285232 436861799 /nfs/dbraw/zinc/86/17/99/436861799.db2.gz PGEZDSDWNIILKE-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO O=C(CCc1ccccc1F)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257285232 436861804 /nfs/dbraw/zinc/86/18/04/436861804.db2.gz PGEZDSDWNIILKE-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1C ZINC000257275793 436862532 /nfs/dbraw/zinc/86/25/32/436862532.db2.gz NQWUNFAXAPPVQG-CQSZACIVSA-N 1 2 328.372 0.907 40 0 ECABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[N@H+]1C ZINC000257275793 436862534 /nfs/dbraw/zinc/86/25/34/436862534.db2.gz NQWUNFAXAPPVQG-CQSZACIVSA-N 1 2 328.372 0.907 40 0 ECABLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 ZINC000257295085 436864364 /nfs/dbraw/zinc/86/43/64/436864364.db2.gz QWXSOUNIIRUXHJ-HUUCEWRRSA-N 1 2 330.392 0.058 40 0 ECABLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 ZINC000257295085 436864369 /nfs/dbraw/zinc/86/43/69/436864369.db2.gz QWXSOUNIIRUXHJ-HUUCEWRRSA-N 1 2 330.392 0.058 40 0 ECABLO Cn1nccc1CCC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257305937 436868505 /nfs/dbraw/zinc/86/85/05/436868505.db2.gz SSEBGPVFAASROV-GOSISDBHSA-N 1 2 343.431 0.895 40 0 ECABLO CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)Cn1cc[nH+]c1 ZINC000257310658 436868692 /nfs/dbraw/zinc/86/86/92/436868692.db2.gz UFZUHVFBNQFKOD-HNNXBMFYSA-N 1 2 342.403 0.981 40 0 ECABLO CC(C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 ZINC000328978366 437295981 /nfs/dbraw/zinc/29/59/81/437295981.db2.gz FYLRNUDKGWSROQ-UHFFFAOYSA-N 1 2 342.447 0.947 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)C3CC(F)C3)C2)C[N@@H+]1CC1CC1 ZINC000575406805 438747429 /nfs/dbraw/zinc/74/74/29/438747429.db2.gz UDGROEJICCKVQZ-JXQTWKCFSA-N 1 2 339.411 0.172 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(C(=O)C3CC(F)C3)C2)C[N@H+]1CC1CC1 ZINC000575406805 438747432 /nfs/dbraw/zinc/74/74/32/438747432.db2.gz UDGROEJICCKVQZ-JXQTWKCFSA-N 1 2 339.411 0.172 40 0 ECABLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403978 438748042 /nfs/dbraw/zinc/74/80/42/438748042.db2.gz KDVFXFFINIYSNT-FVQBIDKESA-N 1 2 347.459 0.567 40 0 ECABLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403978 438748043 /nfs/dbraw/zinc/74/80/43/438748043.db2.gz KDVFXFFINIYSNT-FVQBIDKESA-N 1 2 347.459 0.567 40 0 ECABLO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585276191 439637258 /nfs/dbraw/zinc/63/72/58/439637258.db2.gz KWFVDEFUCKXIIY-GJZGRUSLSA-N 1 2 330.388 1.385 40 0 ECABLO Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585276191 439637263 /nfs/dbraw/zinc/63/72/63/439637263.db2.gz KWFVDEFUCKXIIY-GJZGRUSLSA-N 1 2 330.388 1.385 40 0 ECABLO Cn1cc(NC(=O)C[N@@H+]2CC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585277492 439637813 /nfs/dbraw/zinc/63/78/13/439637813.db2.gz VSUJWIDCURKXEQ-QGZVFWFLSA-N 1 2 330.388 0.874 40 0 ECABLO Cn1cc(NC(=O)C[N@H+]2CC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585277492 439637817 /nfs/dbraw/zinc/63/78/17/439637817.db2.gz VSUJWIDCURKXEQ-QGZVFWFLSA-N 1 2 330.388 0.874 40 0 ECABLO CNC(=O)C[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1OC ZINC000585279008 439638452 /nfs/dbraw/zinc/63/84/52/439638452.db2.gz RTBNCRPAQJMBDY-BBRMVZONSA-N 1 2 344.415 0.954 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)Cn3cccnc3=O)CC[N@@H+]2C)cc1 ZINC000257247820 536945111 /nfs/dbraw/zinc/94/51/11/536945111.db2.gz JAQZBOINORNWPN-MRXNPFEDSA-N 1 2 342.399 0.767 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)Cn3cccnc3=O)CC[N@H+]2C)cc1 ZINC000257247820 536945114 /nfs/dbraw/zinc/94/51/14/536945114.db2.gz JAQZBOINORNWPN-MRXNPFEDSA-N 1 2 342.399 0.767 40 0 ECABLO CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000222438069 201032536 /nfs/dbraw/zinc/03/25/36/201032536.db2.gz NPECJSMGFDAYKF-MMQJMDILSA-N 1 2 346.383 0.892 40 0 ECABLO CCn1nc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1C ZINC000257225759 244197614 /nfs/dbraw/zinc/19/76/14/244197614.db2.gz FHRHNYVUFZKAFP-QGZVFWFLSA-N 1 2 329.404 0.978 40 0 ECABLO Cn1c[nH+]c(CN2CCOC[C@H]2c2n[nH]cc2S(C)(=O)=O)c1 ZINC000257230531 244210546 /nfs/dbraw/zinc/21/05/46/244210546.db2.gz GCSZMJZAOFKQRE-NSHDSACASA-N 1 2 325.394 0.120 40 0 ECABLO Cc1nc(C(=O)NC[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)co1 ZINC000257241137 244244251 /nfs/dbraw/zinc/24/42/51/244244251.db2.gz HWSOHGJWDIVUCH-MRXNPFEDSA-N 1 2 331.376 0.843 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257256188 244280566 /nfs/dbraw/zinc/28/05/66/244280566.db2.gz KKKFNTXHFVYDFF-KRWDZBQOSA-N 1 2 344.419 0.553 40 0 ECABLO O=C(c1ccc[nH]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCOCC1 ZINC000096064693 203819165 /nfs/dbraw/zinc/81/91/65/203819165.db2.gz BCYWAYMZNPYNOX-HOTGVXAUSA-N 1 2 346.431 0.552 40 0 ECABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](C)C1 ZINC000012529707 207164120 /nfs/dbraw/zinc/16/41/20/207164120.db2.gz MENXPTJXUYFDRD-JQWIXIFHSA-N 1 2 332.364 0.425 40 0 biogenic,in-vitro ECABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](C)C1 ZINC000012529707 207164123 /nfs/dbraw/zinc/16/41/23/207164123.db2.gz MENXPTJXUYFDRD-JQWIXIFHSA-N 1 2 332.364 0.425 40 0 biogenic,in-vitro ECABLO O=C([C@@H]1CN(c2ccc3nncn3n2)Cc2c[nH+]cn21)N1CCCO1 ZINC000306125447 257918018 /nfs/dbraw/zinc/91/80/18/257918018.db2.gz CREXKXKEXPTLNR-LBPRGKRZSA-N 1 2 340.347 0.046 40 0 ECABLO Cn1cncc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC000108525936 279391191 /nfs/dbraw/zinc/39/11/91/279391191.db2.gz BSVKXRNDIFYAQM-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1cncc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC000108525936 279391196 /nfs/dbraw/zinc/39/11/96/279391196.db2.gz BSVKXRNDIFYAQM-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1c[nH+]cc1CN1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC000108525936 279391199 /nfs/dbraw/zinc/39/11/99/279391199.db2.gz BSVKXRNDIFYAQM-IRXDYDNUSA-N 1 2 341.415 0.931 40 0 ECABLO Cn1c2[nH]c(SCC[NH+]3CCOCC3)nc2c(=S)n(C)c1=O ZINC000001638341 435962302 /nfs/dbraw/zinc/96/23/02/435962302.db2.gz XHNSOGDMSSHQFY-UHFFFAOYSA-N 1 2 341.462 0.754 40 0 ECABLO CCS(=O)(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197586 436521707 /nfs/dbraw/zinc/52/17/07/436521707.db2.gz DTZQVZOBNQFRRZ-UHFFFAOYSA-N 1 2 337.405 0.044 40 0 ECABLO CS(=O)(=O)NCc1c[nH+]c2n1CCN(C(=O)c1ccoc1)CC2 ZINC000096197024 436521782 /nfs/dbraw/zinc/52/17/82/436521782.db2.gz ODWKFUIIZGTPOB-UHFFFAOYSA-N 1 2 338.389 0.224 40 0 ECABLO COCCNC(=O)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038856 436505586 /nfs/dbraw/zinc/50/55/86/436505586.db2.gz JTNIAZOHTYAVNG-YNEHKIRRSA-N 1 2 325.434 0.743 40 0 ECABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038856 436505589 /nfs/dbraw/zinc/50/55/89/436505589.db2.gz JTNIAZOHTYAVNG-YNEHKIRRSA-N 1 2 325.434 0.743 40 0 ECABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccoc2)C3)CC1 ZINC000096058579 436508234 /nfs/dbraw/zinc/50/82/34/436508234.db2.gz FQYDELJHZJRRHG-UHFFFAOYSA-N 1 2 329.404 0.949 40 0 ECABLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccco1)CCC2 ZINC000096059636 436508560 /nfs/dbraw/zinc/50/85/60/436508560.db2.gz RSMJEPGDWHVVTF-UHFFFAOYSA-N 1 2 346.387 0.505 40 0 ECABLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccco1)CCC2 ZINC000096059636 436508563 /nfs/dbraw/zinc/50/85/63/436508563.db2.gz RSMJEPGDWHVVTF-UHFFFAOYSA-N 1 2 346.387 0.505 40 0 ECABLO CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(c3cccc[nH+]3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064237 436509198 /nfs/dbraw/zinc/50/91/98/436509198.db2.gz MKPCAFZWNCWKOQ-KDOFPFPSSA-N 1 2 346.431 0.773 40 0 ECABLO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(c3cccc[nH+]3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064237 436509200 /nfs/dbraw/zinc/50/92/00/436509200.db2.gz MKPCAFZWNCWKOQ-KDOFPFPSSA-N 1 2 346.431 0.773 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078334 436510191 /nfs/dbraw/zinc/51/01/91/436510191.db2.gz WXHVPBFRAGROHF-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078334 436510195 /nfs/dbraw/zinc/51/01/95/436510195.db2.gz WXHVPBFRAGROHF-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CN(c3ccoc3)C(=O)CO2)C1 ZINC000096078334 436510198 /nfs/dbraw/zinc/51/01/98/436510198.db2.gz WXHVPBFRAGROHF-QGZVFWFLSA-N 1 2 346.387 0.648 40 0 ECABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096206521 436523391 /nfs/dbraw/zinc/52/33/91/436523391.db2.gz HILGLVQEYSPALU-ZDUSSCGKSA-N 1 2 341.433 0.313 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096202075 436523746 /nfs/dbraw/zinc/52/37/46/436523746.db2.gz DKANYPYKPIRYGS-QGZVFWFLSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096202075 436523749 /nfs/dbraw/zinc/52/37/49/436523749.db2.gz DKANYPYKPIRYGS-QGZVFWFLSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1cc([C@H]2CC(=O)NC23CC[NH+](Cc2nccn2C)CC3)cn1 ZINC000096199762 436523918 /nfs/dbraw/zinc/52/39/18/436523918.db2.gz IBIBQAGBTMKLOA-CQSZACIVSA-N 1 2 328.420 0.792 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCC4CCOCC4)[C@H]3C2)no1 ZINC000096215722 436524422 /nfs/dbraw/zinc/52/44/22/436524422.db2.gz WFXPZAGGUKJWDR-IXDOHACOSA-N 1 2 349.431 0.973 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C(=O)NCC4CCOCC4)[C@H]3C2)no1 ZINC000096215722 436524424 /nfs/dbraw/zinc/52/44/24/436524424.db2.gz WFXPZAGGUKJWDR-IXDOHACOSA-N 1 2 349.431 0.973 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247522708 436795889 /nfs/dbraw/zinc/79/58/89/436795889.db2.gz MBSOMHVRLVFTTR-CQSZACIVSA-N 1 2 328.438 0.358 40 0 ECABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247522708 436795891 /nfs/dbraw/zinc/79/58/91/436795891.db2.gz MBSOMHVRLVFTTR-CQSZACIVSA-N 1 2 328.438 0.358 40 0 ECABLO COCC(=O)NCC[C@@H]1CCOC12CN(c1cc(N(C)C)[nH+]cn1)C2 ZINC000248085897 436801078 /nfs/dbraw/zinc/80/10/78/436801078.db2.gz DMFOUGLFJUYICW-CYBMUJFWSA-N 1 2 349.435 0.291 40 0 ECABLO COCC(=O)NCC[C@@H]1CCOC12CN(c1cc(N(C)C)nc[nH+]1)C2 ZINC000248085897 436801080 /nfs/dbraw/zinc/80/10/80/436801080.db2.gz DMFOUGLFJUYICW-CYBMUJFWSA-N 1 2 349.435 0.291 40 0 ECABLO COc1cccc(F)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000257285975 436861817 /nfs/dbraw/zinc/86/18/17/436861817.db2.gz PJPHZWQARGHXIF-ZIAGYGMSSA-N 1 2 334.351 0.533 40 0 ECABLO COc1cccc(F)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000257285975 436861821 /nfs/dbraw/zinc/86/18/21/436861821.db2.gz PJPHZWQARGHXIF-ZIAGYGMSSA-N 1 2 334.351 0.533 40 0 ECABLO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccc(F)c1O ZINC000257294004 436863154 /nfs/dbraw/zinc/86/31/54/436863154.db2.gz QSALDEMNSZQFLK-IIAWOOMASA-N 1 2 338.379 0.875 40 0 ECABLO CN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3cscn3)C2)nc[nH+]1 ZINC000257335933 436875326 /nfs/dbraw/zinc/87/53/26/436875326.db2.gz YMLWLUNFLBFIGP-OAHLLOKOSA-N 1 2 348.432 0.370 40 0 ECABLO CN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3cscn3)C2)[nH+]cn1 ZINC000257335933 436875329 /nfs/dbraw/zinc/87/53/29/436875329.db2.gz YMLWLUNFLBFIGP-OAHLLOKOSA-N 1 2 348.432 0.370 40 0 ECABLO Cn1nc(CNS(C)(=O)=O)c2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096084210 303043929 /nfs/dbraw/zinc/04/39/29/303043929.db2.gz DOICJWXYULCWTI-UHFFFAOYSA-N 1 2 335.433 0.423 40 0 ECABLO Cn1nc(CNS(C)(=O)=O)c2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096084210 303043933 /nfs/dbraw/zinc/04/39/33/303043933.db2.gz DOICJWXYULCWTI-UHFFFAOYSA-N 1 2 335.433 0.423 40 0 ECABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](CNS(C)(=O)=O)C1 ZINC000306123945 437164276 /nfs/dbraw/zinc/16/42/76/437164276.db2.gz BBBKAIJJOFBDQI-LBPRGKRZSA-N 1 2 341.462 0.754 40 0 ECABLO C[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329003917 437300422 /nfs/dbraw/zinc/30/04/22/437300422.db2.gz KPIIQTZSDIGXJK-OCCSQVGLSA-N 1 2 329.404 0.766 40 0 ECABLO C[C@H]1c2[nH+]cc(CCOCC(=O)N(C)C)n2CCN1Cc1cn[nH]c1 ZINC000585097963 439629838 /nfs/dbraw/zinc/62/98/38/439629838.db2.gz PUGUVQPOSDDSEC-ZDUSSCGKSA-N 1 2 346.435 0.830 40 0 ECABLO C[C@H]1c2ncc(CCOCC(=O)N(C)C)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097963 439629842 /nfs/dbraw/zinc/62/98/42/439629842.db2.gz PUGUVQPOSDDSEC-ZDUSSCGKSA-N 1 2 346.435 0.830 40 0 ECABLO C[C@H]1c2ncc(CCOCC(=O)N(C)C)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097963 439629846 /nfs/dbraw/zinc/62/98/46/439629846.db2.gz PUGUVQPOSDDSEC-ZDUSSCGKSA-N 1 2 346.435 0.830 40 0 ECABLO O=C(c1cnccn1)N1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1 ZINC000585097311 439629996 /nfs/dbraw/zinc/62/99/96/439629996.db2.gz JZQSQCRPVCGKQA-AWEZNQCLSA-N 1 2 342.403 0.420 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](COCc1ccccn1)N(S(C)(=O)=O)C2 ZINC000585094623 439627178 /nfs/dbraw/zinc/62/71/78/439627178.db2.gz FTSOXHLCDVRYEN-CYBMUJFWSA-N 1 2 336.417 0.718 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](COCc1ccccn1)N(S(C)(=O)=O)C2 ZINC000585094624 439627908 /nfs/dbraw/zinc/62/79/08/439627908.db2.gz FTSOXHLCDVRYEN-ZDUSSCGKSA-N 1 2 336.417 0.718 40 0 ECABLO COCC(=O)N1CC[C@@H]2O[C@@H](COCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000096186731 522751083 /nfs/dbraw/zinc/75/10/83/522751083.db2.gz GRJYJWKDJUWLBY-PMPSAXMXSA-N 1 2 342.436 0.130 40 0 ECABLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195547062 545914411 /nfs/dbraw/zinc/91/44/11/545914411.db2.gz MIPOOJBGTJORPV-SDDRHHMPSA-N 1 2 341.433 0.770 40 0 ECABLO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000020798779 212172535 /nfs/dbraw/zinc/17/25/35/212172535.db2.gz CFMHBUFIVUIMGK-CYBMUJFWSA-N 1 2 337.326 0.794 40 0 ECABLO CCCCc1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)c[nH+]1 ZINC000257209234 244143260 /nfs/dbraw/zinc/14/32/60/244143260.db2.gz BPNGNNIGLCAGFK-HUUCEWRRSA-N 1 2 344.419 0.517 40 0 ECABLO CCCCc1[nH]cc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)[nH+]1 ZINC000257209234 244143265 /nfs/dbraw/zinc/14/32/65/244143265.db2.gz BPNGNNIGLCAGFK-HUUCEWRRSA-N 1 2 344.419 0.517 40 0 ECABLO Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000257210159 244145381 /nfs/dbraw/zinc/14/53/81/244145381.db2.gz BTLBZHJPJLYCGF-HZPDHXFCSA-N 1 2 330.388 0.389 40 0 ECABLO CCn1cc(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257219498 244176780 /nfs/dbraw/zinc/17/67/80/244176780.db2.gz DGZUTKLPAQXNON-INIZCTEOSA-N 1 2 330.392 0.373 40 0 ECABLO Cc1c[nH]c([C@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257214097 244161524 /nfs/dbraw/zinc/16/15/24/244161524.db2.gz CKMSPNKVPGQEGQ-CYBMUJFWSA-N 1 2 328.438 0.515 40 0 ECABLO Cc1c[nH]c([C@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)n1 ZINC000257214097 244161532 /nfs/dbraw/zinc/16/15/32/244161532.db2.gz CKMSPNKVPGQEGQ-CYBMUJFWSA-N 1 2 328.438 0.515 40 0 ECABLO COCC[NH+]1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 ZINC000257223198 244191852 /nfs/dbraw/zinc/19/18/52/244191852.db2.gz DWIIHRXZIXBMMZ-UHFFFAOYSA-N 1 2 327.388 0.943 40 0 ECABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)cc[nH+]1 ZINC000257258458 244290712 /nfs/dbraw/zinc/29/07/12/244290712.db2.gz KTZPRYLWXVSXGV-GFCCVEGCSA-N 1 2 343.387 0.498 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2O)CC1 ZINC000257266136 244362121 /nfs/dbraw/zinc/36/21/21/244362121.db2.gz MBTDARVDUHONQM-QZTJIDSGSA-N 1 2 345.443 0.273 40 0 ECABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ncoc3C)C2)nc[nH+]1 ZINC000257278360 244399240 /nfs/dbraw/zinc/39/92/40/244399240.db2.gz OBYKBSZWNQJASK-INIZCTEOSA-N 1 2 346.391 0.528 40 0 ECABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ncoc3C)C2)[nH+]cn1 ZINC000257278360 244399247 /nfs/dbraw/zinc/39/92/47/244399247.db2.gz OBYKBSZWNQJASK-INIZCTEOSA-N 1 2 346.391 0.528 40 0 ECABLO CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289760 257845611 /nfs/dbraw/zinc/84/56/11/257845611.db2.gz OKMDRHDLUXWDDD-HZPDHXFCSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289760 257845612 /nfs/dbraw/zinc/84/56/12/257845612.db2.gz OKMDRHDLUXWDDD-HZPDHXFCSA-N 1 2 329.400 0.179 40 0 biogenic,in-vitro ECABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cccnc2=O)CC[N@@H+]1C ZINC000257319586 295391948 /nfs/dbraw/zinc/39/19/48/295391948.db2.gz VTDSXBZXFVEFDU-HNNXBMFYSA-N 1 2 342.399 0.767 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cccnc2=O)CC[N@H+]1C ZINC000257319586 295391950 /nfs/dbraw/zinc/39/19/50/295391950.db2.gz VTDSXBZXFVEFDU-HNNXBMFYSA-N 1 2 342.399 0.767 40 0 ECABLO Cn1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(C)c1=O ZINC000026771517 436166822 /nfs/dbraw/zinc/16/68/22/436166822.db2.gz PXNLMHCHVRNEPI-CQSZACIVSA-N 1 2 326.356 0.506 40 0 ECABLO Cn1cc[nH+]c1CN1C[C@H](NC(=O)c2ccno2)[C@@H]2OCCC[C@@H]21 ZINC000096185942 436518699 /nfs/dbraw/zinc/51/86/99/436518699.db2.gz DMCIPQCEHZDJOG-HUBLWGQQSA-N 1 2 331.376 0.570 40 0 ECABLO O=C(c1ccnnc1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196911 436521638 /nfs/dbraw/zinc/52/16/38/436521638.db2.gz LITKLQJAZBSQPD-UHFFFAOYSA-N 1 2 342.403 0.204 40 0 ECABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096206520 436522640 /nfs/dbraw/zinc/52/26/40/436522640.db2.gz HILGLVQEYSPALU-CYBMUJFWSA-N 1 2 341.433 0.313 40 0 ECABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(S(C)(=O)=O)C2 ZINC000096045013 436504672 /nfs/dbraw/zinc/50/46/72/436504672.db2.gz IIKSBRBXHOYACP-CYBMUJFWSA-N 1 2 343.449 0.722 40 0 ECABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccccn2)C3)CC1 ZINC000096058583 436508242 /nfs/dbraw/zinc/50/82/42/436508242.db2.gz QWPIPPREDHFDFJ-UHFFFAOYSA-N 1 2 340.431 0.751 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@@H]3C2)no1 ZINC000096066092 436508476 /nfs/dbraw/zinc/50/84/76/436508476.db2.gz YEQDCYXFNNCXQT-NUEKZKHPSA-N 1 2 335.404 0.821 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@@H]3C2)no1 ZINC000096066092 436508478 /nfs/dbraw/zinc/50/84/78/436508478.db2.gz YEQDCYXFNNCXQT-NUEKZKHPSA-N 1 2 335.404 0.821 40 0 ECABLO CC(C)COC[C@H]1Cn2c[nH+]cc2CN(S(=O)(=O)N(C)C)C1 ZINC000096209737 436525663 /nfs/dbraw/zinc/52/56/63/436525663.db2.gz ZKSTVIFDIZUTNP-ZDUSSCGKSA-N 1 2 330.454 0.794 40 0 ECABLO COCCn1nnnc1[C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057670113 436614349 /nfs/dbraw/zinc/61/43/49/436614349.db2.gz MOHNFHGRZNUPIL-HNNXBMFYSA-N 1 2 344.419 0.606 40 0 ECABLO COCC(=O)NC[C@H]1CN(Cc2nc(C)cs2)Cc2c[nH+]cn21 ZINC000247956934 436797863 /nfs/dbraw/zinc/79/78/63/436797863.db2.gz MJHRQFNKOOQKPW-ZDUSSCGKSA-N 1 2 335.433 0.968 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)no1 ZINC000247915235 436797955 /nfs/dbraw/zinc/79/79/55/436797955.db2.gz MLNGDHJOSPPHLS-NILFDRSVSA-N 1 2 341.433 0.512 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)no1 ZINC000247915235 436797957 /nfs/dbraw/zinc/79/79/57/436797957.db2.gz MLNGDHJOSPPHLS-NILFDRSVSA-N 1 2 341.433 0.512 40 0 ECABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccnnc3)C2)nc[nH+]1 ZINC000257226694 436858948 /nfs/dbraw/zinc/85/89/48/436858948.db2.gz FLSRRTSSACLFRY-MRXNPFEDSA-N 1 2 328.376 0.288 40 0 ECABLO O=C(CCc1cccc(F)c1)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257300217 436866524 /nfs/dbraw/zinc/86/65/24/436866524.db2.gz RTLXPCIKUCZVTG-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO O=C(CCc1cccc(F)c1)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257300217 436866528 /nfs/dbraw/zinc/86/65/28/436866528.db2.gz RTLXPCIKUCZVTG-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000257322832 436870077 /nfs/dbraw/zinc/87/00/77/436870077.db2.gz WHOWFLUABXSJFM-MRXNPFEDSA-N 1 2 347.419 0.108 40 0 ECABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000257322832 436870082 /nfs/dbraw/zinc/87/00/82/436870082.db2.gz WHOWFLUABXSJFM-MRXNPFEDSA-N 1 2 347.419 0.108 40 0 ECABLO Cc1ncncc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257328730 436872921 /nfs/dbraw/zinc/87/29/21/436872921.db2.gz XGWITEHATJFYBC-KRWDZBQOSA-N 1 2 327.388 0.941 40 0 ECABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccn(C)n1 ZINC000257330990 436873496 /nfs/dbraw/zinc/87/34/96/436873496.db2.gz XQXOMCYLKMXZSZ-KRWDZBQOSA-N 1 2 329.404 0.919 40 0 ECABLO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)cc1 ZINC000306142874 437166740 /nfs/dbraw/zinc/16/67/40/437166740.db2.gz XNBXFIJRUFSBTI-QGZVFWFLSA-N 1 2 344.371 0.115 40 0 ECABLO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)cc1 ZINC000306142874 437166742 /nfs/dbraw/zinc/16/67/42/437166742.db2.gz XNBXFIJRUFSBTI-QGZVFWFLSA-N 1 2 344.371 0.115 40 0 ECABLO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)c1 ZINC000306142916 437167326 /nfs/dbraw/zinc/16/73/26/437167326.db2.gz XOBPWMOVJNZHCG-QGZVFWFLSA-N 1 2 328.372 0.415 40 0 ECABLO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)c1 ZINC000306142916 437167328 /nfs/dbraw/zinc/16/73/28/437167328.db2.gz XOBPWMOVJNZHCG-QGZVFWFLSA-N 1 2 328.372 0.415 40 0 ECABLO Cc1ccsc1C[N@@H+]1CC[C@]2(C1)Cn1c(n[nH]c(=O)c1=O)CO2 ZINC000306132315 437168688 /nfs/dbraw/zinc/16/86/88/437168688.db2.gz LEZUTMODNDJCLZ-HNNXBMFYSA-N 1 2 334.401 0.476 40 0 ECABLO Cc1ccsc1C[N@H+]1CC[C@]2(C1)Cn1c(n[nH]c(=O)c1=O)CO2 ZINC000306132315 437168695 /nfs/dbraw/zinc/16/86/95/437168695.db2.gz LEZUTMODNDJCLZ-HNNXBMFYSA-N 1 2 334.401 0.476 40 0 ECABLO Cc1onc(N)c1S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000331261124 437728674 /nfs/dbraw/zinc/72/86/74/437728674.db2.gz KZDOPCTYKCBOSQ-LLVKDONJSA-N 1 2 332.426 0.200 40 0 ECABLO Cc1onc(N)c1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000331261124 437728677 /nfs/dbraw/zinc/72/86/77/437728677.db2.gz KZDOPCTYKCBOSQ-LLVKDONJSA-N 1 2 332.426 0.200 40 0 ECABLO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2[C@](C)(CO)C1 ZINC000514288332 438813177 /nfs/dbraw/zinc/81/31/77/438813177.db2.gz IHCVFMIFCYCVOM-ROUUACIJSA-N 1 2 335.423 0.925 40 0 biogenic,in-vitro ECABLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2[C@](C)(CO)C1 ZINC000514288332 438813178 /nfs/dbraw/zinc/81/31/78/438813178.db2.gz IHCVFMIFCYCVOM-ROUUACIJSA-N 1 2 335.423 0.925 40 0 biogenic,in-vitro ECABLO O=C(CCn1cc[nH+]c1)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585275963 439636649 /nfs/dbraw/zinc/63/66/49/439636649.db2.gz BSEZRJHJIXVFJE-SFHVURJKSA-N 1 2 345.399 0.942 40 0 ECABLO COC[C@]1(CC(N)=O)C[N@H+](Cc2cc(OC)ccc2F)CCO1 ZINC000585276476 439636975 /nfs/dbraw/zinc/63/69/75/439636975.db2.gz AQLXTHUCPHVTQV-INIZCTEOSA-N 1 2 326.368 0.927 40 0 ECABLO COC[C@]1(CC(N)=O)C[N@@H+](Cc2cc(OC)ccc2F)CCO1 ZINC000585276476 439636978 /nfs/dbraw/zinc/63/69/78/439636978.db2.gz AQLXTHUCPHVTQV-INIZCTEOSA-N 1 2 326.368 0.927 40 0 ECABLO CCCCc1[nH]c(CN2CCOC[C@@](O)(CC(=O)N(C)C)C2)c[nH+]1 ZINC000585279330 439639270 /nfs/dbraw/zinc/63/92/70/439639270.db2.gz KJICZIRYZPUSJI-QGZVFWFLSA-N 1 2 338.452 0.794 40 0 ECABLO O=C(CCn1cnc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000216596650 545919122 /nfs/dbraw/zinc/91/91/22/545919122.db2.gz QJAPBYILWKYHNK-IAGOWNOFSA-N 1 2 344.415 0.330 40 0 ECABLO CN(C(=O)c1ccsc1)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257216888 244172235 /nfs/dbraw/zinc/17/22/35/244172235.db2.gz CWNBPLCXQNVXKD-UMVBOHGHSA-N 1 2 337.445 0.534 40 0 ECABLO CN(C(=O)c1ccsc1)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257216888 244172241 /nfs/dbraw/zinc/17/22/41/244172241.db2.gz CWNBPLCXQNVXKD-UMVBOHGHSA-N 1 2 337.445 0.534 40 0 ECABLO Cc1cnn(CC(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)c1 ZINC000257226484 244202669 /nfs/dbraw/zinc/20/26/69/244202669.db2.gz FKTTYNIQFBCTPR-QGZVFWFLSA-N 1 2 329.404 0.686 40 0 ECABLO CS(=O)(=O)N1CCC([N@@H+]2CCO[C@H](c3cccc(N)n3)C2)CC1 ZINC000257249389 244266682 /nfs/dbraw/zinc/26/66/82/244266682.db2.gz JICFFPYBWOCJPO-AWEZNQCLSA-N 1 2 340.449 0.461 40 0 ECABLO CS(=O)(=O)N1CCC([N@H+]2CCO[C@H](c3cccc(N)n3)C2)CC1 ZINC000257249389 244266687 /nfs/dbraw/zinc/26/66/87/244266687.db2.gz JICFFPYBWOCJPO-AWEZNQCLSA-N 1 2 340.449 0.461 40 0 ECABLO O=c1[nH]c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2o1 ZINC000019936462 212086549 /nfs/dbraw/zinc/08/65/49/212086549.db2.gz MNXVASYPCOKZOR-UHFFFAOYSA-N 1 2 341.389 0.122 40 0 ECABLO Cc1cc(=O)[nH]c(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000072341814 436042090 /nfs/dbraw/zinc/04/20/90/436042090.db2.gz RUUZIIZZMISQSC-ZDUSSCGKSA-N 1 2 333.436 0.459 40 0 ECABLO C[C@H]1Cc2nc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)ncc2C(=O)C1 ZINC000013636082 436064178 /nfs/dbraw/zinc/06/41/78/436064178.db2.gz QWYSKJGKLVWFFM-JTQLQIEISA-N 1 2 345.403 0.377 40 0 ECABLO Cn1ccnc1C[NH2+][C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O ZINC000077264356 436228907 /nfs/dbraw/zinc/22/89/07/436228907.db2.gz DRBIXZOHLCFPTA-FMKPAKJESA-N 1 2 330.388 0.068 40 0 biogenic,in-vitro ECABLO CN(C)S(=O)(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000041228170 436272724 /nfs/dbraw/zinc/27/27/24/436272724.db2.gz VNWMAQCPVVBKEX-UHFFFAOYSA-N 1 2 326.422 0.012 40 0 ECABLO O=C(N1CCOCC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188602 436520826 /nfs/dbraw/zinc/52/08/26/436520826.db2.gz VQBXTERQXWJPOE-CQSZACIVSA-N 1 2 330.392 0.664 40 0 ECABLO CNC(=O)CN1CCOC[C@]2(C[N@H+](Cc3cccc(C)n3)CCO2)C1 ZINC000096076651 436511037 /nfs/dbraw/zinc/51/10/37/436511037.db2.gz YKHHHPBQXXIHHG-SFHVURJKSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)CN1CCOC[C@]2(C[N@@H+](Cc3cccc(C)n3)CCO2)C1 ZINC000096076651 436511041 /nfs/dbraw/zinc/51/10/41/436511041.db2.gz YKHHHPBQXXIHHG-SFHVURJKSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)C[N@@H+]1CCOC[C@]2(CN(Cc3cccc(C)n3)CCO2)C1 ZINC000096076651 436511046 /nfs/dbraw/zinc/51/10/46/436511046.db2.gz YKHHHPBQXXIHHG-SFHVURJKSA-N 1 2 348.447 0.039 40 0 ECABLO CNC(=O)C[N@H+]1CCOC[C@]2(CN(Cc3cccc(C)n3)CCO2)C1 ZINC000096076651 436511051 /nfs/dbraw/zinc/51/10/51/436511051.db2.gz YKHHHPBQXXIHHG-SFHVURJKSA-N 1 2 348.447 0.039 40 0 ECABLO CC(C)N1CC[N@H+](C)C2(CCN(C(=O)c3csnn3)CC2)C1=O ZINC000096230057 436527119 /nfs/dbraw/zinc/52/71/19/436527119.db2.gz JIYAXDWXLFOIJY-UHFFFAOYSA-N 1 2 337.449 0.695 40 0 ECABLO CC(C)N1CC[N@@H+](C)C2(CCN(C(=O)c3csnn3)CC2)C1=O ZINC000096230057 436527124 /nfs/dbraw/zinc/52/71/24/436527124.db2.gz JIYAXDWXLFOIJY-UHFFFAOYSA-N 1 2 337.449 0.695 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccoc3C)C2)C[N@@H+]1CC1CC1 ZINC000248028551 436798724 /nfs/dbraw/zinc/79/87/24/436798724.db2.gz OKJIBZMMEVCXIR-HNNXBMFYSA-N 1 2 347.415 0.639 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccoc3C)C2)C[N@H+]1CC1CC1 ZINC000248028551 436798727 /nfs/dbraw/zinc/79/87/27/436798727.db2.gz OKJIBZMMEVCXIR-HNNXBMFYSA-N 1 2 347.415 0.639 40 0 ECABLO Cc1nc(C(=O)NC[C@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)co1 ZINC000257285026 436861616 /nfs/dbraw/zinc/86/16/16/436861616.db2.gz PFHIEDUVIFQXNC-MRXNPFEDSA-N 1 2 346.391 0.210 40 0 ECABLO Cc1nc(C(=O)NC[C@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)co1 ZINC000257285026 436861620 /nfs/dbraw/zinc/86/16/20/436861620.db2.gz PFHIEDUVIFQXNC-MRXNPFEDSA-N 1 2 346.391 0.210 40 0 ECABLO Cc1nc(CC(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cs1 ZINC000257295018 436864036 /nfs/dbraw/zinc/86/40/36/436864036.db2.gz QWPSZPILWJGLDA-MRXNPFEDSA-N 1 2 347.444 0.850 40 0 ECABLO C[N@@H+]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257299794 436865862 /nfs/dbraw/zinc/86/58/62/436865862.db2.gz RRPURYJACZROMA-OAHLLOKOSA-N 1 2 325.434 0.552 40 0 ECABLO C[N@H+]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257299794 436865865 /nfs/dbraw/zinc/86/58/65/436865865.db2.gz RRPURYJACZROMA-OAHLLOKOSA-N 1 2 325.434 0.552 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)/C=C/c3ccccc3)C[C@H]2O)CC1 ZINC000257298812 436867181 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COC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000047496952 436421197 /nfs/dbraw/zinc/42/11/97/436421197.db2.gz BGQSBACPUKTMQX-UHFFFAOYSA-N 1 2 328.390 0.175 40 0 ECABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1ccoc1)CC2 ZINC000096187495 436520353 /nfs/dbraw/zinc/52/03/53/436520353.db2.gz IXAOIDQHDRRKSW-UHFFFAOYSA-N 1 2 343.431 0.959 40 0 ECABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)cn1 ZINC000096057953 436508327 /nfs/dbraw/zinc/50/83/27/436508327.db2.gz QCCSWURLANLCPD-LZLYRXPVSA-N 1 2 348.447 0.791 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)cn1 ZINC000096057953 436508328 /nfs/dbraw/zinc/50/83/28/436508328.db2.gz QCCSWURLANLCPD-LZLYRXPVSA-N 1 2 348.447 0.791 40 0 ECABLO O=C1CO[C@]2(CN1c1cncnc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096078326 436510291 /nfs/dbraw/zinc/51/02/91/436510291.db2.gz UDHFAAIFISNRMU-QGZVFWFLSA-N 1 2 344.371 0.704 40 0 ECABLO O=C1CO[C@]2(CN1c1cncnc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096078326 436510293 /nfs/dbraw/zinc/51/02/93/436510293.db2.gz UDHFAAIFISNRMU-QGZVFWFLSA-N 1 2 344.371 0.704 40 0 ECABLO CN(C)c1cc(NCc2cn3c(n2)CN([C@@H]2CCOC2)CC3)[nH+]cn1 ZINC000096068086 436510501 /nfs/dbraw/zinc/51/05/01/436510501.db2.gz FFLJZGRYJQTZOA-CQSZACIVSA-N 1 2 343.435 0.956 40 0 ECABLO CN(C)c1cc(NCc2cn3c(n2)CN([C@@H]2CCOC2)CC3)nc[nH+]1 ZINC000096068086 436510504 /nfs/dbraw/zinc/51/05/04/436510504.db2.gz FFLJZGRYJQTZOA-CQSZACIVSA-N 1 2 343.435 0.956 40 0 ECABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)COCCN(S(C)(=O)=O)C3)cs1 ZINC000096202120 436523861 /nfs/dbraw/zinc/52/38/61/436523861.db2.gz NRZKSJWRXYKWIP-AWEZNQCLSA-N 1 2 345.490 0.935 40 0 ECABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)COCCN(S(C)(=O)=O)C3)cs1 ZINC000096202120 436523866 /nfs/dbraw/zinc/52/38/66/436523866.db2.gz NRZKSJWRXYKWIP-AWEZNQCLSA-N 1 2 345.490 0.935 40 0 ECABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000096253220 436527817 /nfs/dbraw/zinc/52/78/17/436527817.db2.gz IKZWQVYRXLWACX-IJEWVQPXSA-N 1 2 335.404 0.740 40 0 ECABLO 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342.403 0.326 40 0 ECABLO CCOc1cc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)ccc1OC ZINC000095534400 436500381 /nfs/dbraw/zinc/50/03/81/436500381.db2.gz GRFJQTNFDPCEGI-AWEZNQCLSA-N 1 2 329.364 0.900 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[C@H]2OCC[N@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC000096055401 436507047 /nfs/dbraw/zinc/50/70/47/436507047.db2.gz PJJCLXYAGACKIJ-CWRNSKLLSA-N 1 2 336.436 0.504 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC000096055401 436507051 /nfs/dbraw/zinc/50/70/51/436507051.db2.gz PJJCLXYAGACKIJ-CWRNSKLLSA-N 1 2 336.436 0.504 40 0 ECABLO CCS(=O)(=O)N1CCc2c(C[NH+]3CCOCC3)cncc2C1 ZINC000096067410 436511058 /nfs/dbraw/zinc/51/10/58/436511058.db2.gz LUQCSCOUUKKKAO-UHFFFAOYSA-N 1 2 325.434 0.622 40 0 ECABLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000137293324 436658430 /nfs/dbraw/zinc/65/84/30/436658430.db2.gz PSRISUFDCRHTER-UHFFFAOYSA-N 1 2 347.462 0.384 40 0 ECABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)cc[nH+]1 ZINC000257336832 436874276 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CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)cc[nH+]1 ZINC000257341409 436874046 /nfs/dbraw/zinc/87/40/46/436874046.db2.gz ZKENXTRZSZXWJG-AWEZNQCLSA-N 1 2 340.449 0.862 40 0 ECABLO CCS(=O)(=O)NC[C@H]1CN(Cc2nccs2)Cc2c[nH+]cn21 ZINC000306125453 437165976 /nfs/dbraw/zinc/16/59/76/437165976.db2.gz CRHUHDOJSDPBQJ-LBPRGKRZSA-N 1 2 341.462 0.836 40 0 ECABLO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)c1 ZINC000306142915 437167269 /nfs/dbraw/zinc/16/72/69/437167269.db2.gz XOBPWMOVJNZHCG-KRWDZBQOSA-N 1 2 328.372 0.415 40 0 ECABLO Cc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(n[nH]c(=O)c2=O)CO3)c1 ZINC000306142915 437167270 /nfs/dbraw/zinc/16/72/70/437167270.db2.gz XOBPWMOVJNZHCG-KRWDZBQOSA-N 1 2 328.372 0.415 40 0 ECABLO CCS(=O)(=O)NC[C@@H]1CN(Cc2cc(C)on2)Cc2c[nH+]cn21 ZINC000306130901 437168264 /nfs/dbraw/zinc/16/82/64/437168264.db2.gz JSHAKYWBJNEWRS-CQSZACIVSA-N 1 2 339.421 0.676 40 0 ECABLO CC(C)CC(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575404263 438747841 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IEDMJPPQLOZVIL-CQSZACIVSA-N 1 2 345.403 0.926 40 0 ECABLO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1CC(=O)N1CCOCC1 ZINC000585273319 439637282 /nfs/dbraw/zinc/63/72/82/439637282.db2.gz BXJIRNSBOLSLSR-GDBMZVCRSA-N 1 2 336.436 0.804 40 0 ECABLO CO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1CC(=O)N1CCOCC1 ZINC000585273319 439637286 /nfs/dbraw/zinc/63/72/86/439637286.db2.gz BXJIRNSBOLSLSR-GDBMZVCRSA-N 1 2 336.436 0.804 40 0 ECABLO O[C@@H]1COC[C@@H]([NH+]2CCN(Cc3ccc4[nH]ccc4c3)CC2)[C@@H]1O ZINC000585290246 439641770 /nfs/dbraw/zinc/64/17/70/439641770.db2.gz AEDQFYQIUGQFMR-KURKYZTESA-N 1 2 331.416 0.406 40 0 ECABLO CNc1ncccc1C[N@@H+]1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000072378269 216178454 /nfs/dbraw/zinc/17/84/54/216178454.db2.gz BESYVUVOZJETKQ-QGZVFWFLSA-N 1 2 334.420 0.573 40 0 ECABLO CNc1ncccc1C[N@H+]1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000072378269 216178460 /nfs/dbraw/zinc/17/84/60/216178460.db2.gz BESYVUVOZJETKQ-QGZVFWFLSA-N 1 2 334.420 0.573 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1nccs1)C[C@@H]2O ZINC000257242501 244248108 /nfs/dbraw/zinc/24/81/08/244248108.db2.gz ICVJYILBSYFGMV-AAEUAGOBSA-N 1 2 331.463 0.504 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](Cc1nccs1)C[C@@H]2O ZINC000257242501 244248114 /nfs/dbraw/zinc/24/81/14/244248114.db2.gz ICVJYILBSYFGMV-AAEUAGOBSA-N 1 2 331.463 0.504 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)Cn3cccnc3=O)CC[N@@H+]2C)cc1 ZINC000257247819 244259991 /nfs/dbraw/zinc/25/99/91/244259991.db2.gz JAQZBOINORNWPN-INIZCTEOSA-N 1 2 342.399 0.767 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)Cn3cccnc3=O)CC[N@H+]2C)cc1 ZINC000257247819 244259999 /nfs/dbraw/zinc/25/99/99/244259999.db2.gz JAQZBOINORNWPN-INIZCTEOSA-N 1 2 342.399 0.767 40 0 ECABLO O=C(c1ccoc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCOCC1 ZINC000107198520 296276334 /nfs/dbraw/zinc/27/63/34/296276334.db2.gz ABKSPOFGKGJYEI-CABCVRRESA-N 1 2 333.388 0.427 40 0 ECABLO COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306142289 257924539 /nfs/dbraw/zinc/92/45/39/257924539.db2.gz WVMAOUXZAMTSNT-RDTXWAMCSA-N 1 2 346.431 0.621 40 0 ECABLO CS(=O)(=O)N1CCOC[C@@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096049866 436506066 /nfs/dbraw/zinc/50/60/66/436506066.db2.gz ZQHSMNDSDKSKNV-CQSZACIVSA-N 1 2 346.474 0.611 40 0 ECABLO CS(=O)(=O)N1CCOC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096049866 436506071 /nfs/dbraw/zinc/50/60/71/436506071.db2.gz ZQHSMNDSDKSKNV-CQSZACIVSA-N 1 2 346.474 0.611 40 0 ECABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000096060699 436507880 /nfs/dbraw/zinc/50/78/80/436507880.db2.gz AJBOHRLJOMPGEG-CYBMUJFWSA-N 1 2 347.419 0.921 40 0 ECABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000096060699 436507884 /nfs/dbraw/zinc/50/78/84/436507884.db2.gz AJBOHRLJOMPGEG-CYBMUJFWSA-N 1 2 347.419 0.921 40 0 ECABLO CNC(=O)[C@@H](c1ccccc1OC)[N@@H+]1CCC[C@H]1C(=O)NCCOC ZINC000225403860 436710899 /nfs/dbraw/zinc/71/08/99/436710899.db2.gz QBVZZMKLCKPBCD-GOEBONIOSA-N 1 2 349.431 0.709 40 0 biogenic,in-vitro ECABLO CNC(=O)[C@@H](c1ccccc1OC)[N@H+]1CCC[C@H]1C(=O)NCCOC ZINC000225403860 436710901 /nfs/dbraw/zinc/71/09/01/436710901.db2.gz QBVZZMKLCKPBCD-GOEBONIOSA-N 1 2 349.431 0.709 40 0 biogenic,in-vitro ECABLO Cc1cccc2nc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)cn21 ZINC000257231211 436860460 /nfs/dbraw/zinc/86/04/60/436860460.db2.gz GFULCTUMLHOZRP-HUUCEWRRSA-N 1 2 330.388 0.160 40 0 ECABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccc(OCCF)cc2)C[C@H]1O ZINC000257250741 436862411 /nfs/dbraw/zinc/86/24/11/436862411.db2.gz JNVXTBDSRUFCRO-ZIAGYGMSSA-N 1 2 332.397 0.129 40 0 ECABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O ZINC000257250741 436862415 /nfs/dbraw/zinc/86/24/15/436862415.db2.gz JNVXTBDSRUFCRO-ZIAGYGMSSA-N 1 2 332.397 0.129 40 0 ECABLO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257295723 436864489 /nfs/dbraw/zinc/86/44/89/436864489.db2.gz QZPPOCQPJWIOGV-LLVKDONJSA-N 1 2 337.405 0.334 40 0 ECABLO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000257295723 436864494 /nfs/dbraw/zinc/86/44/94/436864494.db2.gz QZPPOCQPJWIOGV-LLVKDONJSA-N 1 2 337.405 0.334 40 0 ECABLO Cc1cccc(C[N@H+]2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)n1 ZINC000306134905 437168436 /nfs/dbraw/zinc/16/84/36/437168436.db2.gz OBEHPVYSPKODSH-CQSZACIVSA-N 1 2 349.460 0.768 40 0 ECABLO Cc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)n1 ZINC000306134905 437168439 /nfs/dbraw/zinc/16/84/39/437168439.db2.gz OBEHPVYSPKODSH-CQSZACIVSA-N 1 2 349.460 0.768 40 0 ECABLO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C1(CS(=O)(=O)C1)CO2 ZINC000306145492 437168509 /nfs/dbraw/zinc/16/85/09/437168509.db2.gz GQZRJXSXRJWRNJ-UHFFFAOYSA-N 1 2 346.449 0.543 40 0 ECABLO CC(C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccnc2)n1 ZINC000329054806 437309665 /nfs/dbraw/zinc/30/96/65/437309665.db2.gz VLQRPBUTULVCMB-UHFFFAOYSA-N 1 2 342.447 0.947 40 0 ECABLO O=C(C1CCC1)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403568 438747283 /nfs/dbraw/zinc/74/72/83/438747283.db2.gz HDYVWBMSVHQYCH-MRXNPFEDSA-N 1 2 347.459 0.711 40 0 ECABLO O=C(C1CCC1)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403568 438747286 /nfs/dbraw/zinc/74/72/86/438747286.db2.gz HDYVWBMSVHQYCH-MRXNPFEDSA-N 1 2 347.459 0.711 40 0 ECABLO CC(C)C(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575404294 438747406 /nfs/dbraw/zinc/74/74/06/438747406.db2.gz RMZXLNNTSFWUIF-OAHLLOKOSA-N 1 2 335.448 0.567 40 0 ECABLO CC(C)C(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575404294 438747408 /nfs/dbraw/zinc/74/74/08/438747408.db2.gz RMZXLNNTSFWUIF-OAHLLOKOSA-N 1 2 335.448 0.567 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403979 438747604 /nfs/dbraw/zinc/74/76/04/438747604.db2.gz KDVFXFFINIYSNT-KBMXLJTQSA-N 1 2 347.459 0.567 40 0 ECABLO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403979 438747606 /nfs/dbraw/zinc/74/76/06/438747606.db2.gz KDVFXFFINIYSNT-KBMXLJTQSA-N 1 2 347.459 0.567 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000585168393 439635005 /nfs/dbraw/zinc/63/50/05/439635005.db2.gz KHNTZARUQXJWTD-INIZCTEOSA-N 1 2 328.416 0.941 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000585168393 439635009 /nfs/dbraw/zinc/63/50/09/439635009.db2.gz KHNTZARUQXJWTD-INIZCTEOSA-N 1 2 328.416 0.941 40 0 ECABLO Cc1[nH]c2ccc(CCC(=O)N(C)[C@@H]3COC[C@@H](O)[C@H]3O)cc2[nH+]1 ZINC000585286641 439640775 /nfs/dbraw/zinc/64/07/75/439640775.db2.gz NUZOSSQUWCUQTO-INMHGKMJSA-N 1 2 333.388 0.383 40 0 ECABLO Cc1[nH]c2cc(CCC(=O)N(C)[C@@H]3COC[C@@H](O)[C@H]3O)ccc2[nH+]1 ZINC000585286641 439640776 /nfs/dbraw/zinc/64/07/76/439640776.db2.gz NUZOSSQUWCUQTO-INMHGKMJSA-N 1 2 333.388 0.383 40 0 ECABLO O[C@@H]1COC[C@@H]([NH+]2CCN(Cc3ccc4ncccc4c3)CC2)[C@@H]1O ZINC000585291613 439641575 /nfs/dbraw/zinc/64/15/75/439641575.db2.gz QRQCCUNETMCGPG-QRVBRYPASA-N 1 2 343.427 0.473 40 0 ECABLO COCCC(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COc1cncc(C)n1 ZINC000585094813 439627651 /nfs/dbraw/zinc/62/76/51/439627651.db2.gz NSRBFNYKCXJXQT-CYBMUJFWSA-N 1 2 345.403 0.887 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1nn(C)c3ccccc31)C2 ZINC000585094805 439627885 /nfs/dbraw/zinc/62/78/85/439627885.db2.gz NMUSLLBWVAXULK-LLVKDONJSA-N 1 2 325.372 0.866 40 0 ECABLO O=C(c1ccnc(N2CCCC2)c1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257209293 244146739 /nfs/dbraw/zinc/14/67/39/244146739.db2.gz BPUMRYKIZWTYQD-HZPDHXFCSA-N 1 2 346.431 0.199 40 0 ECABLO CNC(=O)[C@@]1(C)CN(C(=O)Cc2c(C)[nH+]c3ccccn32)CCO1 ZINC000257212921 244158032 /nfs/dbraw/zinc/15/80/32/244158032.db2.gz CFLCQVHSTAJJIX-QGZVFWFLSA-N 1 2 330.388 0.549 40 0 ECABLO C[N@H+](CC(=O)N1CCO[C@@H](c2nccnc2N)C1)Cc1cccnc1 ZINC000257215778 244166072 /nfs/dbraw/zinc/16/60/72/244166072.db2.gz CRPGMLKPQGRZCQ-CQSZACIVSA-N 1 2 342.403 0.486 40 0 ECABLO C[N@@H+](CC(=O)N1CCO[C@@H](c2nccnc2N)C1)Cc1cccnc1 ZINC000257215778 244166076 /nfs/dbraw/zinc/16/60/76/244166076.db2.gz CRPGMLKPQGRZCQ-CQSZACIVSA-N 1 2 342.403 0.486 40 0 ECABLO O=C(Cc1ccccc1F)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257231588 244213492 /nfs/dbraw/zinc/21/34/92/244213492.db2.gz GHJMIPMFYPJYAK-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO O=C(Cc1ccccc1F)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257231588 244213498 /nfs/dbraw/zinc/21/34/98/244213498.db2.gz GHJMIPMFYPJYAK-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO CCc1[nH+]ccn1-c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000257263677 244355524 /nfs/dbraw/zinc/35/55/24/244355524.db2.gz LQZWPCHFMPMEPH-GFCCVEGCSA-N 1 2 334.401 0.747 40 0 ECABLO CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257263780 244356480 /nfs/dbraw/zinc/35/64/80/244356480.db2.gz LRJYSAVUPJRPNM-KRWDZBQOSA-N 1 2 329.404 0.768 40 0 ECABLO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3Cl)C2)C1=O ZINC000225385171 276881800 /nfs/dbraw/zinc/88/18/00/276881800.db2.gz UEYJMBFQFQHJLV-OCCSQVGLSA-N 1 2 349.818 0.328 40 0 biogenic,in-vitro ECABLO CS(=O)(=O)N1CCc2[nH+]cc(CNC(=O)CC3CC3)n2CC1 ZINC000096197055 436520870 /nfs/dbraw/zinc/52/08/70/436520870.db2.gz CCWLCYRZQAPDPE-UHFFFAOYSA-N 1 2 326.422 0.117 40 0 ECABLO Cn1cccc1C(=O)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096196997 436521182 /nfs/dbraw/zinc/52/11/82/436521182.db2.gz ANRYPXCKPGIKCJ-UHFFFAOYSA-N 1 2 325.376 0.560 40 0 ECABLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096056353 436506761 /nfs/dbraw/zinc/50/67/61/436506761.db2.gz YXIAZEZTELQERZ-BZUAXINKSA-N 1 2 341.415 0.977 40 0 ECABLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096056353 436506765 /nfs/dbraw/zinc/50/67/65/436506765.db2.gz YXIAZEZTELQERZ-BZUAXINKSA-N 1 2 341.415 0.977 40 0 ECABLO O=S(=O)(C1CC1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084743 436512664 /nfs/dbraw/zinc/51/26/64/436512664.db2.gz DOFFJCAIRUJQMH-UHFFFAOYSA-N 1 2 339.465 0.962 40 0 ECABLO CN(C)S(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096207515 436523630 /nfs/dbraw/zinc/52/36/30/436523630.db2.gz MPKAXNVVJOXVCM-ZDUSSCGKSA-N 1 2 328.438 0.548 40 0 ECABLO COC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248143387 436800534 /nfs/dbraw/zinc/80/05/34/436800534.db2.gz RBSJXQHSCBQVDP-ZDUSSCGKSA-N 1 2 325.434 0.813 40 0 ECABLO COC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248143387 436800537 /nfs/dbraw/zinc/80/05/37/436800537.db2.gz RBSJXQHSCBQVDP-ZDUSSCGKSA-N 1 2 325.434 0.813 40 0 ECABLO C[C@H](CNC(=O)c1cncc(-c2cncnc2)c1)[NH+]1CCOCC1 ZINC000257295025 436864623 /nfs/dbraw/zinc/86/46/23/436864623.db2.gz QWQCRMGMDSOONW-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO Cc1oc2c(c1C(=O)N1C[C@@H](O)[C@H]([NH+]3CCOCC3)C1)CCCC2 ZINC000257307358 436868097 /nfs/dbraw/zinc/86/80/97/436868097.db2.gz SYHPAXBNOQFKKR-HUUCEWRRSA-N 1 2 334.416 0.984 40 0 ECABLO Cc1cc(C)n(CCCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000257339539 436875677 /nfs/dbraw/zinc/87/56/77/436875677.db2.gz ZCDXHSNNKQYXQX-HZPDHXFCSA-N 1 2 336.436 0.184 40 0 ECABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)no1 ZINC000306129328 437164448 /nfs/dbraw/zinc/16/44/48/437164448.db2.gz IASSTSMEOPUFJI-FVQBIDKESA-N 1 2 343.387 0.650 40 0 ECABLO O=c1[nH]nc2n(c1=O)C[C@@]1(CC[N@@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306137390 437168462 /nfs/dbraw/zinc/16/84/62/437168462.db2.gz QVESMDHSMVYKFC-INIZCTEOSA-N 1 2 332.335 0.246 40 0 ECABLO O=c1[nH]nc2n(c1=O)C[C@@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306137390 437168466 /nfs/dbraw/zinc/16/84/66/437168466.db2.gz QVESMDHSMVYKFC-INIZCTEOSA-N 1 2 332.335 0.246 40 0 ECABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000408616781 438583257 /nfs/dbraw/zinc/58/32/57/438583257.db2.gz BZHREGZDMUHCCV-UHFFFAOYSA-N 1 2 336.417 0.856 40 0 ECABLO COc1ccc(C[N@@H+]2CCOC[C@@](O)(CC(=O)N(C)C)C2)c(F)c1 ZINC000585280063 439638887 /nfs/dbraw/zinc/63/88/87/439638887.db2.gz ABFVVHQLDFIADD-QGZVFWFLSA-N 1 2 340.395 0.876 40 0 ECABLO COc1ccc(C[N@H+]2CCOC[C@@](O)(CC(=O)N(C)C)C2)c(F)c1 ZINC000585280063 439638891 /nfs/dbraw/zinc/63/88/91/439638891.db2.gz ABFVVHQLDFIADD-QGZVFWFLSA-N 1 2 340.395 0.876 40 0 ECABLO COc1cccc(F)c1C[N@@H+]1CCOC[C@@](O)(CC(=O)N(C)C)C1 ZINC000585280936 439640306 /nfs/dbraw/zinc/64/03/06/439640306.db2.gz QNQCXUHKINRDBH-QGZVFWFLSA-N 1 2 340.395 0.876 40 0 ECABLO COc1cccc(F)c1C[N@H+]1CCOC[C@@](O)(CC(=O)N(C)C)C1 ZINC000585280936 439640309 /nfs/dbraw/zinc/64/03/09/439640309.db2.gz QNQCXUHKINRDBH-QGZVFWFLSA-N 1 2 340.395 0.876 40 0 ECABLO COc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](CO)C[N@@H+]3C)cc1 ZINC000585093902 439627344 /nfs/dbraw/zinc/62/73/44/439627344.db2.gz OHJRNVFJGABZFH-GFCCVEGCSA-N 1 2 326.418 0.382 40 0 ECABLO COc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](CO)C[N@H+]3C)cc1 ZINC000585093902 439627345 /nfs/dbraw/zinc/62/73/45/439627345.db2.gz OHJRNVFJGABZFH-GFCCVEGCSA-N 1 2 326.418 0.382 40 0 ECABLO CCOCC(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COc1cncc(C)n1 ZINC000585094617 439627791 /nfs/dbraw/zinc/62/77/91/439627791.db2.gz FSCQQSJOWPGHOA-CYBMUJFWSA-N 1 2 345.403 0.887 40 0 ECABLO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)o1 ZINC000257221265 534952116 /nfs/dbraw/zinc/95/21/16/534952116.db2.gz DOFBEBKPAQPZOO-LBPRGKRZSA-N 1 2 337.424 0.356 40 0 ECABLO CC(C)c1nnc(CCC(=O)N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)o1 ZINC000257221265 534952124 /nfs/dbraw/zinc/95/21/24/534952124.db2.gz DOFBEBKPAQPZOO-LBPRGKRZSA-N 1 2 337.424 0.356 40 0 ECABLO C[NH+](C)CC(=O)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380489 216182433 /nfs/dbraw/zinc/18/24/33/216182433.db2.gz TYRVCROLBOLQLD-CYBMUJFWSA-N 1 2 349.435 0.150 40 0 ECABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cnn3cccnc23)C1 ZINC000257251576 244271138 /nfs/dbraw/zinc/27/11/38/244271138.db2.gz JRHIHGTZRXGVJD-LLVKDONJSA-N 1 2 346.416 0.845 40 0 ECABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cnn3cccnc23)C1 ZINC000257251576 244271142 /nfs/dbraw/zinc/27/11/42/244271142.db2.gz JRHIHGTZRXGVJD-LLVKDONJSA-N 1 2 346.416 0.845 40 0 ECABLO CN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000016187834 211888670 /nfs/dbraw/zinc/88/86/70/211888670.db2.gz BUANMCOJWYIBDQ-UHFFFAOYSA-N 1 2 336.417 0.710 40 0 ECABLO CN1CC[NH+](C[C@H]2OC[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]32)CC1 ZINC000096056268 290046886 /nfs/dbraw/zinc/04/68/86/290046886.db2.gz FAWFQKXOHGKMJO-CWRNSKLLSA-N 1 2 343.493 0.063 40 0 ECABLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)N1CCOCC1 ZINC000257219398 295413337 /nfs/dbraw/zinc/41/33/37/295413337.db2.gz DGQIITDBWIXLRX-CQSZACIVSA-N 1 2 341.433 0.219 40 0 ECABLO COCC(=O)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019593016 436108199 /nfs/dbraw/zinc/10/81/99/436108199.db2.gz ZZKGSJPPBJIJKD-UHFFFAOYSA-N 1 2 349.435 0.219 40 0 ECABLO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185171 436518685 /nfs/dbraw/zinc/51/86/85/436518685.db2.gz UXPNHQREAQTVQM-RDJZCZTQSA-N 1 2 336.436 0.665 40 0 ECABLO COCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185171 436518687 /nfs/dbraw/zinc/51/86/87/436518687.db2.gz UXPNHQREAQTVQM-RDJZCZTQSA-N 1 2 336.436 0.665 40 0 ECABLO COCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185171 436518690 /nfs/dbraw/zinc/51/86/90/436518690.db2.gz UXPNHQREAQTVQM-RDJZCZTQSA-N 1 2 336.436 0.665 40 0 ECABLO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185171 436518692 /nfs/dbraw/zinc/51/86/92/436518692.db2.gz UXPNHQREAQTVQM-RDJZCZTQSA-N 1 2 336.436 0.665 40 0 ECABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccncc2)C3)CC1 ZINC000096187456 436521146 /nfs/dbraw/zinc/52/11/46/436521146.db2.gz QLBYLEQVVHUXBC-UHFFFAOYSA-N 1 2 340.431 0.751 40 0 ECABLO Cn1cc(C[N@@H+]2C[C@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)cn1 ZINC000096056362 436506946 /nfs/dbraw/zinc/50/69/46/436506946.db2.gz BSPWSSDNTLRIFU-JYJNAYRXSA-N 1 2 342.403 0.372 40 0 ECABLO Cn1cc(C[N@H+]2C[C@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)cn1 ZINC000096056362 436506949 /nfs/dbraw/zinc/50/69/49/436506949.db2.gz BSPWSSDNTLRIFU-JYJNAYRXSA-N 1 2 342.403 0.372 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC000096055400 436507430 /nfs/dbraw/zinc/50/74/30/436507430.db2.gz PJJCLXYAGACKIJ-BPUTZDHNSA-N 1 2 336.436 0.504 40 0 ECABLO CN(C)C(=O)COC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC000096055400 436507435 /nfs/dbraw/zinc/50/74/35/436507435.db2.gz PJJCLXYAGACKIJ-BPUTZDHNSA-N 1 2 336.436 0.504 40 0 ECABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1 ZINC000096062120 436508266 /nfs/dbraw/zinc/50/82/66/436508266.db2.gz CKDQXUUPJLNQKG-GFCCVEGCSA-N 1 2 330.392 0.853 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3cccnc3OC)C[C@@H]2O1 ZINC000096065468 436508890 /nfs/dbraw/zinc/50/88/90/436508890.db2.gz UPXGSSODUNCBNL-BPUTZDHNSA-N 1 2 349.431 0.832 40 0 ECABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cccnc3OC)C[C@@H]2O1 ZINC000096065468 436508895 /nfs/dbraw/zinc/50/88/95/436508895.db2.gz UPXGSSODUNCBNL-BPUTZDHNSA-N 1 2 349.431 0.832 40 0 ECABLO CS(=O)(=O)NC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21 ZINC000247519540 436795284 /nfs/dbraw/zinc/79/52/84/436795284.db2.gz KWSKSIJCXGLCKY-CQSZACIVSA-N 1 2 328.438 0.216 40 0 ECABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21 ZINC000247519540 436795287 /nfs/dbraw/zinc/79/52/87/436795287.db2.gz KWSKSIJCXGLCKY-CQSZACIVSA-N 1 2 328.438 0.216 40 0 ECABLO COC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC000248087509 436800741 /nfs/dbraw/zinc/80/07/41/436800741.db2.gz BOUACIDYHPHKDS-LBPRGKRZSA-N 1 2 328.438 0.151 40 0 ECABLO COC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC000248087509 436800744 /nfs/dbraw/zinc/80/07/44/436800744.db2.gz BOUACIDYHPHKDS-LBPRGKRZSA-N 1 2 328.438 0.151 40 0 ECABLO COC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC000248087507 436800898 /nfs/dbraw/zinc/80/08/98/436800898.db2.gz BOUACIDYHPHKDS-GFCCVEGCSA-N 1 2 328.438 0.151 40 0 ECABLO COC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC000248087507 436800901 /nfs/dbraw/zinc/80/09/01/436800901.db2.gz BOUACIDYHPHKDS-GFCCVEGCSA-N 1 2 328.438 0.151 40 0 ECABLO Cc1cn([C@@H]2C[N@H+](Cc3cscn3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257342647 436874626 /nfs/dbraw/zinc/87/46/26/436874626.db2.gz ZPNRKQYNDATYAV-IUODEOHRSA-N 1 2 336.417 0.912 40 0 ECABLO Cc1cn([C@@H]2C[N@@H+](Cc3cscn3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257342647 436874630 /nfs/dbraw/zinc/87/46/30/436874630.db2.gz ZPNRKQYNDATYAV-IUODEOHRSA-N 1 2 336.417 0.912 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCOc2ccccc2F)CC[N@@H+]1C ZINC000257280185 436862479 /nfs/dbraw/zinc/86/24/79/436862479.db2.gz OJWHOTVYAZRNKJ-AWEZNQCLSA-N 1 2 337.395 0.825 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCOc2ccccc2F)CC[N@H+]1C ZINC000257280185 436862485 /nfs/dbraw/zinc/86/24/85/436862485.db2.gz OJWHOTVYAZRNKJ-AWEZNQCLSA-N 1 2 337.395 0.825 40 0 ECABLO CC(=O)NCC(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257314867 436870960 /nfs/dbraw/zinc/87/09/60/436870960.db2.gz UYVUHZBQKIUFGZ-QGZVFWFLSA-N 1 2 346.431 0.713 40 0 ECABLO Cc1nccc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257324922 436872774 /nfs/dbraw/zinc/87/27/74/436872774.db2.gz WQTOCARHHARXIG-KRWDZBQOSA-N 1 2 327.388 0.941 40 0 ECABLO Cc1ccsc1C[N@@H+]1CC[C@@]2(C1)Cn1c(n[nH]c(=O)c1=O)CO2 ZINC000306132316 437166625 /nfs/dbraw/zinc/16/66/25/437166625.db2.gz LEZUTMODNDJCLZ-OAHLLOKOSA-N 1 2 334.401 0.476 40 0 ECABLO Cc1ccsc1C[N@H+]1CC[C@@]2(C1)Cn1c(n[nH]c(=O)c1=O)CO2 ZINC000306132316 437166629 /nfs/dbraw/zinc/16/66/29/437166629.db2.gz LEZUTMODNDJCLZ-OAHLLOKOSA-N 1 2 334.401 0.476 40 0 ECABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@@H](CC(=O)NC)C1 ZINC000585099190 439629237 /nfs/dbraw/zinc/62/92/37/439629237.db2.gz SHISJDUYRRIRRE-ZDUSSCGKSA-N 1 2 327.450 0.491 40 0 ECABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@@H](CC(=O)NC)C1 ZINC000585099190 439629239 /nfs/dbraw/zinc/62/92/39/439629239.db2.gz SHISJDUYRRIRRE-ZDUSSCGKSA-N 1 2 327.450 0.491 40 0 ECABLO O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1 ZINC000585098060 439629597 /nfs/dbraw/zinc/62/95/97/439629597.db2.gz SXMJOEHOOAKVJE-HNNXBMFYSA-N 1 2 348.447 0.621 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585275958 439637370 /nfs/dbraw/zinc/63/73/70/439637370.db2.gz BSEZRJHJIXVFJE-GOSISDBHSA-N 1 2 345.399 0.942 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 ZINC000585269274 439637513 /nfs/dbraw/zinc/63/75/13/439637513.db2.gz NYKHQQOUNWNTJO-UKRRQHHQSA-N 1 2 329.404 0.960 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 ZINC000585269274 439637517 /nfs/dbraw/zinc/63/75/17/439637517.db2.gz NYKHQQOUNWNTJO-UKRRQHHQSA-N 1 2 329.404 0.960 40 0 ECABLO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(Cn2cc[nH+]c2)C1 ZINC000585286938 439640781 /nfs/dbraw/zinc/64/07/81/439640781.db2.gz YEIAVTKOQKCUPH-AEFFLSMTSA-N 1 2 329.400 0.840 40 0 ECABLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290242 439642313 /nfs/dbraw/zinc/64/23/13/439642313.db2.gz ACWJCKZDBJYIMX-ZCXYESHFSA-N 1 2 346.427 0.962 40 0 ECABLO COCCC(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COc1cncc(C)n1 ZINC000585094814 439628114 /nfs/dbraw/zinc/62/81/14/439628114.db2.gz NSRBFNYKCXJXQT-ZDUSSCGKSA-N 1 2 345.403 0.887 40 0 ECABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(-c2cncnc2)n1 ZINC000257206308 244136297 /nfs/dbraw/zinc/13/62/97/244136297.db2.gz BCUNDALFFLQVCC-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO C[C@@H](CNC(=O)c1ccc(-c2cncnc2)nc1)[NH+]1CCOCC1 ZINC000257217514 244171734 /nfs/dbraw/zinc/17/17/34/244171734.db2.gz CZHRZRHIFXYSSA-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO O=S(=O)(c1cn[nH]c1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257216387 244168108 /nfs/dbraw/zinc/16/81/08/244168108.db2.gz CUIQQKDTEQCTIN-HZPDHXFCSA-N 1 2 348.428 0.202 40 0 ECABLO O=S(=O)(c1cn[nH]c1)N1C[C@@H](O)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000257216387 244168122 /nfs/dbraw/zinc/16/81/22/244168122.db2.gz CUIQQKDTEQCTIN-HZPDHXFCSA-N 1 2 348.428 0.202 40 0 ECABLO Cc1cnc(C[N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)cn1 ZINC000257227059 244203557 /nfs/dbraw/zinc/20/35/57/244203557.db2.gz FNLLUBUEVGHJGR-HOTGVXAUSA-N 1 2 332.404 0.376 40 0 ECABLO Cc1cnc(C[N@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)cn1 ZINC000257227059 244203561 /nfs/dbraw/zinc/20/35/61/244203561.db2.gz FNLLUBUEVGHJGR-HOTGVXAUSA-N 1 2 332.404 0.376 40 0 ECABLO Cc1cnc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257220414 244182691 /nfs/dbraw/zinc/18/26/91/244182691.db2.gz DKTLQZDHWLGVGE-QGZVFWFLSA-N 1 2 327.388 0.893 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N2CC(c3[nH]nc4ncccc43)C2)C1 ZINC000257255805 244282558 /nfs/dbraw/zinc/28/25/58/244282558.db2.gz KIXRBUYLEVWJSP-AWEZNQCLSA-N 1 2 342.403 0.046 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@H](C(=O)N2CC(c3[nH]nc4ncccc43)C2)C1 ZINC000257255805 244282561 /nfs/dbraw/zinc/28/25/61/244282561.db2.gz KIXRBUYLEVWJSP-AWEZNQCLSA-N 1 2 342.403 0.046 40 0 ECABLO COCCn1cc(C(=O)N2CC[NH2+][C@@H](C(N)=O)C2)c2ccccc21 ZINC000257269104 244369253 /nfs/dbraw/zinc/36/92/53/244369253.db2.gz MOOQKQFCKJLKDK-CQSZACIVSA-N 1 2 330.388 0.187 40 0 ECABLO CCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)c(C)n1 ZINC000257273210 244383275 /nfs/dbraw/zinc/38/32/75/244383275.db2.gz NFSCYQZLNXTSCN-TZMCWYRMSA-N 1 2 335.433 0.643 40 0 ECABLO CCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)c(C)n1 ZINC000257273210 244383281 /nfs/dbraw/zinc/38/32/81/244383281.db2.gz NFSCYQZLNXTSCN-TZMCWYRMSA-N 1 2 335.433 0.643 40 0 ECABLO O=C(c1cnccn1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096066978 296291242 /nfs/dbraw/zinc/29/12/42/296291242.db2.gz KCSFACNNDGKGLU-CYBMUJFWSA-N 1 2 340.387 0.568 40 0 ECABLO CCOC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2[nH+]cn(C)c21 ZINC000096044819 286181143 /nfs/dbraw/zinc/18/11/43/286181143.db2.gz VLNRTHTVGZQGEC-LLVKDONJSA-N 1 2 339.421 0.478 40 0 ECABLO Cn1ccnc1C[NH2+][C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O ZINC000077264251 436228483 /nfs/dbraw/zinc/22/84/83/436228483.db2.gz NMHDJQGCTKATFU-GYSYKLTISA-N 1 2 336.417 0.130 40 0 biogenic,in-vitro ECABLO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ncc[nH]2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264445 436229595 /nfs/dbraw/zinc/22/95/95/436229595.db2.gz MIGJWQWYLYHNDA-NFAWXSAZSA-N 1 2 334.351 0.197 40 0 biogenic,in-vitro ECABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1 ZINC000096108013 436514168 /nfs/dbraw/zinc/51/41/68/436514168.db2.gz 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ECABLO CN(C)C(=O)CN1CCOC[C@@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096229417 436526432 /nfs/dbraw/zinc/52/64/32/436526432.db2.gz CPYFSXVNVSBPFS-QGZVFWFLSA-N 1 2 337.420 0.271 40 0 ECABLO OCC[NH+](CCO)Cc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000057743736 436615490 /nfs/dbraw/zinc/61/54/90/436615490.db2.gz RZBLGWLCOTUHEZ-UHFFFAOYSA-N 1 2 341.371 0.980 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247987072 436799037 /nfs/dbraw/zinc/79/90/37/436799037.db2.gz ZMHJNTPPRWTBKY-CYBMUJFWSA-N 1 2 342.355 0.484 40 0 ECABLO C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000253404961 436842152 /nfs/dbraw/zinc/84/21/52/436842152.db2.gz RNWYEQVBWVAJME-LBPRGKRZSA-N 1 2 346.387 0.852 40 0 biogenic,in-vitro ECABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccnn3)C2)nc[nH+]1 ZINC000257286126 436860985 /nfs/dbraw/zinc/86/09/85/436860985.db2.gz PKKHSPAOSWUHIP-INIZCTEOSA-N 1 2 328.376 0.288 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cncs3)C2)nc[nH+]1 ZINC000257294910 436863137 /nfs/dbraw/zinc/86/31/37/436863137.db2.gz QWFMWNMXVRSNEZ-HNNXBMFYSA-N 1 2 348.432 0.736 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cncs3)C2)[nH+]cn1 ZINC000257294910 436863141 /nfs/dbraw/zinc/86/31/41/436863141.db2.gz QWFMWNMXVRSNEZ-HNNXBMFYSA-N 1 2 348.432 0.736 40 0 ECABLO COCc1c(C)onc1C(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257288923 436863742 /nfs/dbraw/zinc/86/37/42/436863742.db2.gz PWGGNCLGNFUFMO-KRWDZBQOSA-N 1 2 346.387 0.896 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Cc3cccs3)C[C@H]2O)CC1 ZINC000257304131 436865254 /nfs/dbraw/zinc/86/52/54/436865254.db2.gz SKEYAIGIEJGBOY-HUUCEWRRSA-N 1 2 337.445 0.026 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257298544 436865294 /nfs/dbraw/zinc/86/52/94/436865294.db2.gz RMEPKCNMTCXLHA-AWEZNQCLSA-N 1 2 331.376 0.629 40 0 ECABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2[nH]c(CNC(C)=O)c[nH+]2)C1 ZINC000257308447 436868619 /nfs/dbraw/zinc/86/86/19/436868619.db2.gz TWSHCECJIMJUQK-GFCCVEGCSA-N 1 2 343.453 0.422 40 0 ECABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2[nH]cc(CNC(C)=O)[nH+]2)C1 ZINC000257308447 436868624 /nfs/dbraw/zinc/86/86/24/436868624.db2.gz TWSHCECJIMJUQK-GFCCVEGCSA-N 1 2 343.453 0.422 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[N@@H+]2C)cc1 ZINC000257311174 436869120 /nfs/dbraw/zinc/86/91/20/436869120.db2.gz UIHGPVFDDBJCJF-OAHLLOKOSA-N 1 2 328.372 0.907 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[N@H+]2C)cc1 ZINC000257311174 436869124 /nfs/dbraw/zinc/86/91/24/436869124.db2.gz UIHGPVFDDBJCJF-OAHLLOKOSA-N 1 2 328.372 0.907 40 0 ECABLO O=C(N[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1O)c1cnccn1 ZINC000257337218 436875662 /nfs/dbraw/zinc/87/56/62/436875662.db2.gz YRXRANDRNSUMBT-ZIAGYGMSSA-N 1 2 334.326 0.730 40 0 ECABLO O=C(N[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1O)c1cnccn1 ZINC000257337218 436875668 /nfs/dbraw/zinc/87/56/68/436875668.db2.gz YRXRANDRNSUMBT-ZIAGYGMSSA-N 1 2 334.326 0.730 40 0 ECABLO O=C([C@H]1CN(c2ccc3nncn3n2)Cc2c[nH+]cn21)N1CCCO1 ZINC000306125446 437165543 /nfs/dbraw/zinc/16/55/43/437165543.db2.gz CREXKXKEXPTLNR-GFCCVEGCSA-N 1 2 340.347 0.046 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131341 437168315 /nfs/dbraw/zinc/16/83/15/437168315.db2.gz KCEDKWSTPYQJTA-HOCLYGCPSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131341 437168320 /nfs/dbraw/zinc/16/83/20/437168320.db2.gz KCEDKWSTPYQJTA-HOCLYGCPSA-N 1 2 332.408 0.462 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 ZINC000306131341 437168322 /nfs/dbraw/zinc/16/83/22/437168322.db2.gz KCEDKWSTPYQJTA-HOCLYGCPSA-N 1 2 332.408 0.462 40 0 ECABLO O=C(CN1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1)N1CCCC1 ZINC000585096965 439629175 /nfs/dbraw/zinc/62/91/75/439629175.db2.gz GCCSEFKKNAQGFN-MRXNPFEDSA-N 1 2 347.463 0.412 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)o3)C2)C[N@@H+]1CC1CC1 ZINC000585109287 439630470 /nfs/dbraw/zinc/63/04/70/439630470.db2.gz GNMPROHUJGQOEN-MRXNPFEDSA-N 1 2 333.432 0.999 40 0 ECABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)o3)C2)C[N@H+]1CC1CC1 ZINC000585109287 439630473 /nfs/dbraw/zinc/63/04/73/439630473.db2.gz GNMPROHUJGQOEN-MRXNPFEDSA-N 1 2 333.432 0.999 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](COCc1ccncc1)N(S(C)(=O)=O)C2 ZINC000585094873 439627557 /nfs/dbraw/zinc/62/75/57/439627557.db2.gz RHJPLYHQCMMSRR-CYBMUJFWSA-N 1 2 336.417 0.718 40 0 ECABLO CNc1ncccc1C[N@@H+]1CCO[C@](C)(C(=O)N2CCOCC2)C1 ZINC000072378270 216178752 /nfs/dbraw/zinc/17/87/52/216178752.db2.gz BESYVUVOZJETKQ-KRWDZBQOSA-N 1 2 334.420 0.573 40 0 ECABLO CNc1ncccc1C[N@H+]1CCO[C@](C)(C(=O)N2CCOCC2)C1 ZINC000072378270 216178756 /nfs/dbraw/zinc/17/87/56/216178756.db2.gz BESYVUVOZJETKQ-KRWDZBQOSA-N 1 2 334.420 0.573 40 0 ECABLO O=C(Cc1ccc2c(c1)CCC2)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257251119 244268195 /nfs/dbraw/zinc/26/81/95/244268195.db2.gz JPLMSBDVFPWMGG-QZTJIDSGSA-N 1 2 330.428 0.622 40 0 ECABLO Cc1ocnc1C(=O)NC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257257223 244284976 /nfs/dbraw/zinc/28/49/76/244284976.db2.gz KOQFRFYOAIQNEZ-MRXNPFEDSA-N 1 2 331.376 0.843 40 0 ECABLO CC[NH+]1CCN(S(=O)(=O)c2cncc(Br)c2N)CC1 ZINC000072210920 436035615 /nfs/dbraw/zinc/03/56/15/436035615.db2.gz XGQGOUBDGQLHMJ-UHFFFAOYSA-N 1 2 349.254 0.753 40 0 ECABLO CS(=O)(=O)N1CCc2[nH+]cc(CNC(=O)C3CCC3)n2CC1 ZINC000096197068 436520897 /nfs/dbraw/zinc/52/08/97/436520897.db2.gz LNHHPNVLWWFVSJ-UHFFFAOYSA-N 1 2 326.422 0.117 40 0 ECABLO O=S(=O)(c1ccccc1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096201144 436523219 /nfs/dbraw/zinc/52/32/19/436523219.db2.gz NDDWAOWPCGHZJE-UHFFFAOYSA-N 1 2 344.400 0.727 40 0 ECABLO COCC[NH+]1CCN(C(=O)c2cncc(-c3cnn(C)c3)c2)CC1 ZINC000257296294 436866372 /nfs/dbraw/zinc/86/63/72/436866372.db2.gz RCCNVMKLAJITED-UHFFFAOYSA-N 1 2 329.404 0.886 40 0 ECABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257317936 436870364 /nfs/dbraw/zinc/87/03/64/436870364.db2.gz VLTZFEKTTGOPPB-CQSZACIVSA-N 1 2 345.403 0.877 40 0 ECABLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[NH2+]C1(CS(=O)(=O)C1)CO2 ZINC000306145599 437167118 /nfs/dbraw/zinc/16/71/18/437167118.db2.gz KBQHOXQAMWKEEM-AWEZNQCLSA-N 1 2 332.422 0.153 40 0 ECABLO Cc1ccccc1OC[C@]1(O)COCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000585278099 439639307 /nfs/dbraw/zinc/63/93/07/439639307.db2.gz ZOBSLMJYWFJLEW-GOSISDBHSA-N 1 2 345.399 0.860 40 0 ECABLO COc1cccc(F)c1C[N@@H+]1CCOC[C@](O)(CC(=O)N(C)C)C1 ZINC000585280935 439639860 /nfs/dbraw/zinc/63/98/60/439639860.db2.gz QNQCXUHKINRDBH-KRWDZBQOSA-N 1 2 340.395 0.876 40 0 ECABLO COc1cccc(F)c1C[N@H+]1CCOC[C@](O)(CC(=O)N(C)C)C1 ZINC000585280935 439639864 /nfs/dbraw/zinc/63/98/64/439639864.db2.gz QNQCXUHKINRDBH-KRWDZBQOSA-N 1 2 340.395 0.876 40 0 ECABLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1C ZINC000585288350 439641504 /nfs/dbraw/zinc/64/15/04/439641504.db2.gz WSBPHKZNUYEKKB-ZACQAIPSSA-N 1 2 334.416 0.182 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)Cc2c[nH+]cn21 ZINC000585095957 439627523 /nfs/dbraw/zinc/62/75/23/439627523.db2.gz HLPNHHUMMSMRQK-DZGCQCFKSA-N 1 2 326.356 0.516 40 0 ECABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CCN(S(C)(=O)=O)CC2 ZINC000096254594 282313657 /nfs/dbraw/zinc/31/36/57/282313657.db2.gz RYFHFVHCENGVIA-UHFFFAOYSA-N 1 2 339.465 0.503 40 0 ECABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000067897289 215246056 /nfs/dbraw/zinc/24/60/56/215246056.db2.gz MMNQAELAWQYJQZ-CJNGLKHVSA-N 1 2 334.372 0.473 40 0 biogenic,in-vitro ECABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000067897289 215246059 /nfs/dbraw/zinc/24/60/59/215246059.db2.gz MMNQAELAWQYJQZ-CJNGLKHVSA-N 1 2 334.372 0.473 40 0 biogenic,in-vitro ECABLO CNC(=O)[C@@]1(C)CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CCO1 ZINC000072379773 216181960 /nfs/dbraw/zinc/18/19/60/216181960.db2.gz UUVFTPFKCBINRX-QGZVFWFLSA-N 1 2 330.388 0.708 40 0 ECABLO CC(=O)NCc1ccnc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257204936 244129319 /nfs/dbraw/zinc/12/93/19/244129319.db2.gz AWYJALKYHJVGHY-AWEZNQCLSA-N 1 2 330.392 0.420 40 0 ECABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(-c2cncnc2)c1 ZINC000257246170 244257668 /nfs/dbraw/zinc/25/76/68/244257668.db2.gz ISVNPDKHVUJVOZ-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO CNc1cc([C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)cc[nH+]1 ZINC000257275615 244392710 /nfs/dbraw/zinc/39/27/10/244392710.db2.gz NQCXVXZSPJYALK-GFCCVEGCSA-N 1 2 326.422 0.379 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCN(c2ccccn2)C1 ZINC000257278025 244398908 /nfs/dbraw/zinc/39/89/08/244398908.db2.gz OALLUVIOCALFQT-QGZVFWFLSA-N 1 2 329.404 0.816 40 0 ECABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2ccnc(N3CCCC3)n2)CCO1 ZINC000019746813 212061330 /nfs/dbraw/zinc/06/13/30/212061330.db2.gz AYJDHBPFWGRJFK-KRWDZBQOSA-N 1 2 333.436 0.756 40 0 ECABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2ccnc(N3CCCC3)n2)CCO1 ZINC000019746813 212061333 /nfs/dbraw/zinc/06/13/33/212061333.db2.gz AYJDHBPFWGRJFK-KRWDZBQOSA-N 1 2 333.436 0.756 40 0 ECABLO CN(C)S(=O)(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706169 212056006 /nfs/dbraw/zinc/05/60/06/212056006.db2.gz GBDAIUBPHHZPON-GFCCVEGCSA-N 1 2 342.469 0.099 40 0 ECABLO CN(C)S(=O)(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706169 212056008 /nfs/dbraw/zinc/05/60/08/212056008.db2.gz GBDAIUBPHHZPON-GFCCVEGCSA-N 1 2 342.469 0.099 40 0 ECABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000019576527 212044926 /nfs/dbraw/zinc/04/49/26/212044926.db2.gz CVBDGXVDTYIZDY-UHFFFAOYSA-N 1 2 342.355 0.804 40 0 ECABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000019576527 212044932 /nfs/dbraw/zinc/04/49/32/212044932.db2.gz CVBDGXVDTYIZDY-UHFFFAOYSA-N 1 2 342.355 0.804 40 0 ECABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(O)cc1)[NH2+][C@@]2(CC)C(=O)OC ZINC000004884696 285175119 /nfs/dbraw/zinc/17/51/19/285175119.db2.gz PBVUXEVKFKGMQM-WZTLGTBRSA-N 1 2 346.383 0.979 40 0 ECABLO Cc1cn([C@@H]2C[N@H+](Cc3cncn3C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257311598 279000990 /nfs/dbraw/zinc/00/09/90/279000990.db2.gz UKGMHGDCPJQOFX-CZUORRHYSA-N 1 2 333.392 0.189 40 0 ECABLO Cc1cn([C@@H]2C[N@@H+](Cc3cncn3C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257311598 279000993 /nfs/dbraw/zinc/00/09/93/279000993.db2.gz UKGMHGDCPJQOFX-CZUORRHYSA-N 1 2 333.392 0.189 40 0 ECABLO Cc1cn([C@@H]2CN(Cc3c[nH+]cn3C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257311598 279000994 /nfs/dbraw/zinc/00/09/94/279000994.db2.gz UKGMHGDCPJQOFX-CZUORRHYSA-N 1 2 333.392 0.189 40 0 ECABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CO)CC[C@@H]3C2)cs1 ZINC000096249696 436528654 /nfs/dbraw/zinc/52/86/54/436528654.db2.gz GPTUBEVYMJBMFO-TZMCWYRMSA-N 1 2 325.434 0.493 40 0 ECABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CO)CC[C@@H]3C2)cs1 ZINC000096249696 436528658 /nfs/dbraw/zinc/52/86/58/436528658.db2.gz GPTUBEVYMJBMFO-TZMCWYRMSA-N 1 2 325.434 0.493 40 0 ECABLO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3S(=O)(=O)N(C)C)n1 ZINC000096248725 436528954 /nfs/dbraw/zinc/52/89/54/436528954.db2.gz XIFKBQDYXNTXFK-CABCVRRESA-N 1 2 340.449 0.081 40 0 ECABLO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3S(=O)(=O)N(C)C)n1 ZINC000096248725 436528956 /nfs/dbraw/zinc/52/89/56/436528956.db2.gz XIFKBQDYXNTXFK-CABCVRRESA-N 1 2 340.449 0.081 40 0 ECABLO O=S(=O)(C1CC1)N1CCO[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000108525922 436619815 /nfs/dbraw/zinc/61/98/15/436619815.db2.gz KSTFCXBQOGPAAZ-HOTGVXAUSA-N 1 2 337.445 0.849 40 0 ECABLO O=S(=O)(C1CC1)N1CCO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000108525922 436619817 /nfs/dbraw/zinc/61/98/17/436619817.db2.gz KSTFCXBQOGPAAZ-HOTGVXAUSA-N 1 2 337.445 0.849 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccncc3)C2)nc[nH+]1 ZINC000257339254 436874688 /nfs/dbraw/zinc/87/46/88/436874688.db2.gz ZAYJPWHHVSATPK-KRWDZBQOSA-N 1 2 342.403 0.675 40 0 ECABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccncc3)C2)[nH+]cn1 ZINC000257339254 436874690 /nfs/dbraw/zinc/87/46/90/436874690.db2.gz ZAYJPWHHVSATPK-KRWDZBQOSA-N 1 2 342.403 0.675 40 0 ECABLO CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257321003 436870127 /nfs/dbraw/zinc/87/01/27/436870127.db2.gz VZRIBDLTJMYZDM-NCOADZHNSA-N 1 2 349.431 0.587 40 0 ECABLO C[C@H](CNC(=O)c1cccc(-c2cncnc2)n1)[NH+]1CCOCC1 ZINC000257334394 436874110 /nfs/dbraw/zinc/87/41/10/436874110.db2.gz YFRXMWOFNICDSO-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](CNS(C)(=O)=O)C1 ZINC000306123944 437166063 /nfs/dbraw/zinc/16/60/63/437166063.db2.gz BBBKAIJJOFBDQI-GFCCVEGCSA-N 1 2 341.462 0.754 40 0 ECABLO C[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329064662 437312177 /nfs/dbraw/zinc/31/21/77/437312177.db2.gz XKZPCPITECWTRZ-JSGCOSHPSA-N 1 2 329.404 0.766 40 0 ECABLO COCCNC(=O)[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000585110836 439631036 /nfs/dbraw/zinc/63/10/36/439631036.db2.gz MFVPKKXXCWHFPS-ZDUSSCGKSA-N 1 2 332.408 0.016 40 0 ECABLO COCCNC(=O)[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000585110836 439631040 /nfs/dbraw/zinc/63/10/40/439631040.db2.gz MFVPKKXXCWHFPS-ZDUSSCGKSA-N 1 2 332.408 0.016 40 0 ECABLO CC(=O)N1CC[N@@H+](Cc2nc3ccccc3n2C)C[C@@H](C(N)=O)C1 ZINC000585178739 439635462 /nfs/dbraw/zinc/63/54/62/439635462.db2.gz DELCGZRULSTYDP-CYBMUJFWSA-N 1 2 329.404 0.339 40 0 ECABLO CC(=O)N1CC[N@H+](Cc2nc3ccccc3n2C)C[C@@H](C(N)=O)C1 ZINC000585178739 439635464 /nfs/dbraw/zinc/63/54/64/439635464.db2.gz DELCGZRULSTYDP-CYBMUJFWSA-N 1 2 329.404 0.339 40 0 ECABLO O=C(C[N@@H+]1CCO[C@@](CO)(Cc2ccccc2)C1)N1CCOCC1 ZINC000585273395 439637432 /nfs/dbraw/zinc/63/74/32/439637432.db2.gz ULLUGAYLPVGOIN-SFHVURJKSA-N 1 2 334.416 0.151 40 0 ECABLO O=C(C[N@H+]1CCO[C@@](CO)(Cc2ccccc2)C1)N1CCOCC1 ZINC000585273395 439637436 /nfs/dbraw/zinc/63/74/36/439637436.db2.gz ULLUGAYLPVGOIN-SFHVURJKSA-N 1 2 334.416 0.151 40 0 ECABLO Cc1cc(OCC(=O)N(C)[C@@H]2COC[C@@H](O)[C@H]2O)c2ccccc2[nH+]1 ZINC000585286304 439640431 /nfs/dbraw/zinc/64/04/31/439640431.db2.gz KINYMGNXKXYYNI-RKVPGOIHSA-N 1 2 346.383 0.501 40 0 ECABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1S(=O)(=O)c1cn(C)cn1 ZINC000585094583 439627815 /nfs/dbraw/zinc/62/78/15/439627815.db2.gz CJVRUPOUDTVIQE-LLVKDONJSA-N 1 2 339.421 0.306 40 0 ECABLO COCC[NH+]1CCN(C(=O)c2cccc(-c3cnc(N)nc3)n2)CC1 ZINC000257254170 536871827 /nfs/dbraw/zinc/87/18/27/536871827.db2.gz KBZSSQWJQHFOGL-UHFFFAOYSA-N 1 2 342.403 0.525 40 0 ECABLO CCN1C(=O)[C@@H]2[C@H](c3ccc(O)cc3)[NH2+][C@](CC)(C(=O)OC)[C@H]2C1=O ZINC000100420630 219099017 /nfs/dbraw/zinc/09/90/17/219099017.db2.gz PBVUXEVKFKGMQM-AHXJXLJNSA-N 1 2 346.383 0.979 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@@H](C(=O)N2CCC(C)(c3n[nH]cc3C)CC2)C1 ZINC000072388940 216190261 /nfs/dbraw/zinc/19/02/61/216190261.db2.gz OFRPCRZDDXXGGG-OAHLLOKOSA-N 1 2 347.463 0.761 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@@H](C(=O)N2CCC(C)(c3n[nH]cc3C)CC2)C1 ZINC000072388940 216190262 /nfs/dbraw/zinc/19/02/62/216190262.db2.gz OFRPCRZDDXXGGG-OAHLLOKOSA-N 1 2 347.463 0.761 40 0 ECABLO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000022874309 212330632 /nfs/dbraw/zinc/33/06/32/212330632.db2.gz WXIYTUCYKCBNFD-UHFFFAOYSA-N 1 2 341.433 0.429 40 0 ECABLO CC(=O)Nc1nnc(S(=O)(=O)NCCCn2cc[nH+]c2)s1 ZINC000225764576 242025199 /nfs/dbraw/zinc/02/51/99/242025199.db2.gz YLIRBNKIXPOYIE-UHFFFAOYSA-N 1 2 330.395 0.062 40 0 ECABLO CN(C)C(=O)[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000257200272 244118143 /nfs/dbraw/zinc/11/81/43/244118143.db2.gz ACRQWTOSUPINTF-KRWDZBQOSA-N 1 2 343.387 0.587 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)Cn3cccn3)CC[N@@H+]2C)c1 ZINC000257201517 244121140 /nfs/dbraw/zinc/12/11/40/244121140.db2.gz AHYPLUQCAZFPDK-MRXNPFEDSA-N 1 2 341.415 0.758 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)Cn3cccn3)CC[N@H+]2C)c1 ZINC000257201517 244121146 /nfs/dbraw/zinc/12/11/46/244121146.db2.gz AHYPLUQCAZFPDK-MRXNPFEDSA-N 1 2 341.415 0.758 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(F)cn1)C[C@@H]2O ZINC000257241398 244244555 /nfs/dbraw/zinc/24/45/55/244244555.db2.gz HXYBRMLWLQEBSP-GJZGRUSLSA-N 1 2 343.424 0.582 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(F)cn1)C[C@@H]2O ZINC000257241398 244244559 /nfs/dbraw/zinc/24/45/59/244244559.db2.gz HXYBRMLWLQEBSP-GJZGRUSLSA-N 1 2 343.424 0.582 40 0 ECABLO CS(=O)(=O)N1CC[N@H+](Cc2ccccc2Cl)C[C@@H](C(N)=O)C1 ZINC000257251381 244270410 /nfs/dbraw/zinc/27/04/10/244270410.db2.gz JQMZZDMUZUWCNY-GFCCVEGCSA-N 1 2 345.852 0.519 40 0 ECABLO CS(=O)(=O)N1CC[N@@H+](Cc2ccccc2Cl)C[C@@H](C(N)=O)C1 ZINC000257251381 244270414 /nfs/dbraw/zinc/27/04/14/244270414.db2.gz JQMZZDMUZUWCNY-GFCCVEGCSA-N 1 2 345.852 0.519 40 0 ECABLO CC(C)n1cc[nH+]c1CN1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC000257255550 244280636 /nfs/dbraw/zinc/28/06/36/244280636.db2.gz KHXAZKRZMWDFFQ-DGCLKSJQSA-N 1 2 335.433 0.896 40 0 ECABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)[nH+]1 ZINC000257266791 244364861 /nfs/dbraw/zinc/36/48/61/244364861.db2.gz MENYNYPQEOXEON-GFCCVEGCSA-N 1 2 345.403 0.146 40 0 ECABLO Cc1cc(=O)[nH]c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000072341813 254485006 /nfs/dbraw/zinc/48/50/06/254485006.db2.gz XTQLYJOIUQBJDP-CQSZACIVSA-N 1 2 333.436 0.601 40 0 ECABLO COC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000096187756 293240640 /nfs/dbraw/zinc/24/06/40/293240640.db2.gz SENMQUDGOHEZIA-NSHDSACASA-N 1 2 325.394 0.084 40 0 ECABLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085467022 436389176 /nfs/dbraw/zinc/38/91/76/436389176.db2.gz CICCIRRESDNSOM-CYBMUJFWSA-N 1 2 329.422 0.369 40 0 ECABLO O=C(c1ccccc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCOCC1 ZINC000096183965 436518821 /nfs/dbraw/zinc/51/88/21/436518821.db2.gz TZAOKXBJLPSADT-SJORKVTESA-N 1 2 343.427 0.834 40 0 ECABLO C[N@H+](Cc1ccco1)Cc1cnc2n1CCN(S(C)(=O)=O)CC2 ZINC000096197096 436521448 /nfs/dbraw/zinc/52/14/48/436521448.db2.gz MTIPBNYQWPSRER-UHFFFAOYSA-N 1 2 338.433 0.926 40 0 ECABLO C[N@@H+](Cc1ccco1)Cc1cnc2n1CCN(S(C)(=O)=O)CC2 ZINC000096197096 436521451 /nfs/dbraw/zinc/52/14/51/436521451.db2.gz MTIPBNYQWPSRER-UHFFFAOYSA-N 1 2 338.433 0.926 40 0 ECABLO CCOc1cc([C@@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)ccc1OC ZINC000095534401 436500128 /nfs/dbraw/zinc/50/01/28/436500128.db2.gz GRFJQTNFDPCEGI-CQSZACIVSA-N 1 2 329.364 0.900 40 0 ECABLO O=C1CCCN1Cc1nnc2n1CC[N@@H+](Cc1nccs1)CC2 ZINC000096058967 436508334 /nfs/dbraw/zinc/50/83/34/436508334.db2.gz 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436870577 /nfs/dbraw/zinc/87/05/77/436870577.db2.gz VDVVVXGZHUAJHB-CQSZACIVSA-N 1 2 340.449 0.582 40 0 ECABLO O=C(CCc1ccc(F)cc1)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257328119 436872961 /nfs/dbraw/zinc/87/29/61/436872961.db2.gz XEFSKWLDZRFKEB-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO O=C(CCc1ccc(F)cc1)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257328119 436872967 /nfs/dbraw/zinc/87/29/67/436872967.db2.gz XEFSKWLDZRFKEB-IIDMSEBBSA-N 1 2 349.406 0.198 40 0 ECABLO CNc1cc([C@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)cc[nH+]1 ZINC000257336833 436875133 /nfs/dbraw/zinc/87/51/33/436875133.db2.gz YQFHIFZWPRWMKA-ZDUSSCGKSA-N 1 2 330.392 0.613 40 0 ECABLO C[N@@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306131112 437166696 /nfs/dbraw/zinc/16/66/96/437166696.db2.gz JXBZLYRBPQRZSQ-KBPBESRZSA-N 1 2 346.412 0.743 40 0 ECABLO C[N@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306131112 437166698 /nfs/dbraw/zinc/16/66/98/437166698.db2.gz JXBZLYRBPQRZSQ-KBPBESRZSA-N 1 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439641332 /nfs/dbraw/zinc/64/13/32/439641332.db2.gz ZKNZTTQANQYPRI-QRVBRYPASA-N 1 2 343.427 0.473 40 0 ECABLO O[C@@H]1COC[C@@H]([NH+]2CCN(Cc3ccc4ccccc4n3)CC2)[C@@H]1O ZINC000585292258 439641334 /nfs/dbraw/zinc/64/13/34/439641334.db2.gz ZKNZTTQANQYPRI-QRVBRYPASA-N 1 2 343.427 0.473 40 0 ECABLO COc1ccccc1OCC(=O)N1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094572 439627407 /nfs/dbraw/zinc/62/74/07/439627407.db2.gz BZJADRIAHMOKSL-LBPRGKRZSA-N 1 2 331.372 0.753 40 0 ECABLO CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)CCn1cc[nH+]c1 ZINC000257263781 536452452 /nfs/dbraw/zinc/45/24/52/536452452.db2.gz LRJYSAVUPJRPNM-QGZVFWFLSA-N 1 2 329.404 0.768 40 0 ECABLO O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000214856554 545919298 /nfs/dbraw/zinc/91/92/98/545919298.db2.gz LRMYVLHAKRQXMK-IAGOWNOFSA-N 1 2 329.400 0.614 40 0 ECABLO CCn1cc(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257219499 244176602 /nfs/dbraw/zinc/17/66/02/244176602.db2.gz DGZUTKLPAQXNON-MRXNPFEDSA-N 1 2 330.392 0.373 40 0 ECABLO CCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257215483 244165815 /nfs/dbraw/zinc/16/58/15/244165815.db2.gz CQHFFWZWWZKYES-HNNXBMFYSA-N 1 2 333.417 0.867 40 0 ECABLO CN([C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1 ZINC000257221816 244187841 /nfs/dbraw/zinc/18/78/41/244187841.db2.gz DQQFLSSRWRVMFS-NQBHXWOUSA-N 1 2 325.394 0.002 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccn(C)n3)CC[N@@H+]2C)c1 ZINC000257267746 244365996 /nfs/dbraw/zinc/36/59/96/244365996.db2.gz MIPGTWPVVZXHAO-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccn(C)n3)CC[N@H+]2C)c1 ZINC000257267746 244365999 /nfs/dbraw/zinc/36/59/99/244365999.db2.gz MIPGTWPVVZXHAO-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 ZINC000257331232 244549772 /nfs/dbraw/zinc/54/97/72/244549772.db2.gz XRXPZHONFQFLFL-QZTJIDSGSA-N 1 2 345.443 0.355 40 0 ECABLO CN(C)C1=N[C@@](NCCc2ccccc2)(N(C)C)OC(N(C)C)=[NH+]1 ZINC000019328002 212016458 /nfs/dbraw/zinc/01/64/58/212016458.db2.gz MVLOPAXGOCCYTO-KRWDZBQOSA-N 1 2 332.452 0.857 40 0 ECABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1ccco1)C2 ZINC000096187558 218654479 /nfs/dbraw/zinc/65/44/79/218654479.db2.gz FLOZVASOPMMLCH-UHFFFAOYSA-N 1 2 329.404 0.917 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@@H+]1C ZINC000257267086 295391511 /nfs/dbraw/zinc/39/15/11/295391511.db2.gz MFXPISORSIHRGI-ZDUSSCGKSA-N 1 2 341.433 0.060 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@H+]1C ZINC000257267086 295391512 /nfs/dbraw/zinc/39/15/12/295391512.db2.gz MFXPISORSIHRGI-ZDUSSCGKSA-N 1 2 341.433 0.060 40 0 ECABLO S=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccco1 ZINC000044241653 436340354 /nfs/dbraw/zinc/34/03/54/436340354.db2.gz NEZGCLOKASLEBC-UHFFFAOYSA-N 1 2 346.460 0.856 40 0 ECABLO C[N@H+](Cc1cccnc1)[C@@H]1CN(S(C)(=O)=O)[C@@H]2CCCO[C@@H]21 ZINC000096186011 436519121 /nfs/dbraw/zinc/51/91/21/436519121.db2.gz MIPXRXGFMFEYHM-KFWWJZLASA-N 1 2 325.434 0.705 40 0 ECABLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(S(C)(=O)=O)[C@@H]2CCCO[C@@H]21 ZINC000096186011 436519122 /nfs/dbraw/zinc/51/91/22/436519122.db2.gz MIPXRXGFMFEYHM-KFWWJZLASA-N 1 2 325.434 0.705 40 0 ECABLO O=C(c1ccncc1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196909 436521276 /nfs/dbraw/zinc/52/12/76/436521276.db2.gz NQCUSOJGRMVXNG-UHFFFAOYSA-N 1 2 341.415 0.809 40 0 ECABLO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)CC1 ZINC000096042948 436504649 /nfs/dbraw/zinc/50/46/49/436504649.db2.gz LBLRMKQTRHVXAQ-SOUVJXGZSA-N 1 2 331.420 0.234 40 0 ECABLO COCCNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058181 436509257 /nfs/dbraw/zinc/50/92/57/436509257.db2.gz UVGGDKJXOACQNF-YNEHKIRRSA-N 1 2 325.434 0.885 40 0 ECABLO COCCNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058181 436509261 /nfs/dbraw/zinc/50/92/61/436509261.db2.gz UVGGDKJXOACQNF-YNEHKIRRSA-N 1 2 325.434 0.885 40 0 ECABLO Cc1nc(C[N@H+]2CC[C@]3(C2)CNC(=O)CN3C(=O)N(C)C)cs1 ZINC000096093706 436511796 /nfs/dbraw/zinc/51/17/96/436511796.db2.gz KVIDVNTWROEYLZ-OAHLLOKOSA-N 1 2 337.449 0.509 40 0 ECABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)CNC(=O)CN3C(=O)N(C)C)cs1 ZINC000096093706 436511801 /nfs/dbraw/zinc/51/18/01/436511801.db2.gz KVIDVNTWROEYLZ-OAHLLOKOSA-N 1 2 337.449 0.509 40 0 ECABLO Cn1cc(CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cn1 ZINC000096086877 436511924 /nfs/dbraw/zinc/51/19/24/436511924.db2.gz TZKCSHGNPKVQLV-UHFFFAOYSA-N 1 2 339.403 0.628 40 0 ECABLO COCC(=O)NC[C@@H]1CN(Cc2nc(C)cs2)Cc2c[nH+]cn21 ZINC000247956932 436798435 /nfs/dbraw/zinc/79/84/35/436798435.db2.gz MJHRQFNKOOQKPW-CYBMUJFWSA-N 1 2 335.433 0.968 40 0 ECABLO O=C(CCn1cc[nH+]c1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257298545 436865492 /nfs/dbraw/zinc/86/54/92/436865492.db2.gz RMEPKCNMTCXLHA-CQSZACIVSA-N 1 2 331.376 0.629 40 0 ECABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cnn(C)c1 ZINC000257330375 436873563 /nfs/dbraw/zinc/87/35/63/436873563.db2.gz XOCKDLQKSGFWDY-QGZVFWFLSA-N 1 2 329.404 0.919 40 0 ECABLO COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)CC2)cc1 ZINC000257337444 436874158 /nfs/dbraw/zinc/87/41/58/436874158.db2.gz YSUDDNQZMMYWDD-IAGOWNOFSA-N 1 2 346.427 0.631 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC000257343029 436875763 /nfs/dbraw/zinc/87/57/63/436875763.db2.gz ZRDGMIHYTRGWSV-HZPDHXFCSA-N 1 2 335.379 0.175 40 0 ECABLO c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CC3)n2)nc1 ZINC000328985299 437299617 /nfs/dbraw/zinc/29/96/17/437299617.db2.gz HSIPSJDIZICMHC-UHFFFAOYSA-N 1 2 340.431 0.701 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C3CC(F)C3)C2)C[N@@H+]1CC1CC1 ZINC000575406806 438747565 /nfs/dbraw/zinc/74/75/65/438747565.db2.gz UDGROEJICCKVQZ-RUXDESIVSA-N 1 2 339.411 0.172 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C3CC(F)C3)C2)C[N@H+]1CC1CC1 ZINC000575406806 438747570 /nfs/dbraw/zinc/74/75/70/438747570.db2.gz UDGROEJICCKVQZ-RUXDESIVSA-N 1 2 339.411 0.172 40 0 ECABLO CC(C)[NH+]1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289450 438812681 /nfs/dbraw/zinc/81/26/81/438812681.db2.gz LGLBOQMFECCROE-ZWKOTPCHSA-N 1 2 343.471 0.969 40 0 biogenic,in-vitro ECABLO Cc1cncc(OC[C@@H]2Cc3c([nH+]cn3C)CN2S(C)(=O)=O)n1 ZINC000585094760 439628218 /nfs/dbraw/zinc/62/82/18/439628218.db2.gz LJRHSUJRIAGIRU-NSHDSACASA-N 1 2 337.405 0.284 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccco3)C2)C[N@@H+]1CC1CC1 ZINC000585109356 439630591 /nfs/dbraw/zinc/63/05/91/439630591.db2.gz LSMMNRFFWJVHMM-ZDUSSCGKSA-N 1 2 333.388 0.331 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccco3)C2)C[N@H+]1CC1CC1 ZINC000585109356 439630594 /nfs/dbraw/zinc/63/05/94/439630594.db2.gz LSMMNRFFWJVHMM-ZDUSSCGKSA-N 1 2 333.388 0.331 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccnc3)C2)C[N@@H+]1CC1CC1 ZINC000585109533 439630994 /nfs/dbraw/zinc/63/09/94/439630994.db2.gz WERNULACRQWQST-INIZCTEOSA-N 1 2 330.432 0.493 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccnc3)C2)C[N@H+]1CC1CC1 ZINC000585109533 439630997 /nfs/dbraw/zinc/63/09/97/439630997.db2.gz WERNULACRQWQST-INIZCTEOSA-N 1 2 330.432 0.493 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3cc(C)nn3C)C2)C[N@@H+]1CC1CC1 ZINC000585109284 439631172 /nfs/dbraw/zinc/63/11/72/439631172.db2.gz GMWHYHGKDNVGHQ-INIZCTEOSA-N 1 2 347.463 0.140 40 0 ECABLO CNC(=O)[C@@H]1COC2(CN(Cc3cc(C)nn3C)C2)C[N@H+]1CC1CC1 ZINC000585109284 439631173 /nfs/dbraw/zinc/63/11/73/439631173.db2.gz GMWHYHGKDNVGHQ-INIZCTEOSA-N 1 2 347.463 0.140 40 0 ECABLO O=C(C[N@@H+]1CCO[C@](CO)(Cc2ccccc2)C1)N1CCOCC1 ZINC000585273393 439637088 /nfs/dbraw/zinc/63/70/88/439637088.db2.gz ULLUGAYLPVGOIN-GOSISDBHSA-N 1 2 334.416 0.151 40 0 ECABLO O=C(C[N@H+]1CCO[C@](CO)(Cc2ccccc2)C1)N1CCOCC1 ZINC000585273393 439637090 /nfs/dbraw/zinc/63/70/90/439637090.db2.gz ULLUGAYLPVGOIN-GOSISDBHSA-N 1 2 334.416 0.151 40 0 ECABLO Cn1cc(NC(=O)C[N@@H+]2CC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585277491 439637228 /nfs/dbraw/zinc/63/72/28/439637228.db2.gz VSUJWIDCURKXEQ-KRWDZBQOSA-N 1 2 330.388 0.874 40 0 ECABLO Cn1cc(NC(=O)C[N@H+]2CC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585277491 439637234 /nfs/dbraw/zinc/63/72/34/439637234.db2.gz VSUJWIDCURKXEQ-KRWDZBQOSA-N 1 2 330.388 0.874 40 0 ECABLO Cc1cc(C)cc(C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1 ZINC000585288092 439642320 /nfs/dbraw/zinc/64/23/20/439642320.db2.gz PKZXGZCIYIPYDH-ZACQAIPSSA-N 1 2 334.416 0.182 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1cccc3c1OCCO3)C2 ZINC000585094726 439627087 /nfs/dbraw/zinc/62/70/87/439627087.db2.gz JHXQTVOTGCJMQK-NSHDSACASA-N 1 2 329.356 0.751 40 0 ECABLO O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000216453785 545919775 /nfs/dbraw/zinc/91/97/75/545919775.db2.gz KYOLOSZRQAGZBS-HZPDHXFCSA-N 1 2 344.415 0.399 40 0 ECABLO O=S1(=O)CC[C@@H](Nc2ccc([NH2+][C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000040177516 213279845 /nfs/dbraw/zinc/27/98/45/213279845.db2.gz RLGDMQXDSGLJTQ-ZIAGYGMSSA-N 1 2 344.458 0.885 40 0 ECABLO Cc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)co1 ZINC000072350844 216162625 /nfs/dbraw/zinc/16/26/25/216162625.db2.gz RTIPYBHVAHSJIL-HNNXBMFYSA-N 1 2 328.372 0.795 40 0 ECABLO Cc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)co1 ZINC000072350844 216162627 /nfs/dbraw/zinc/16/26/27/216162627.db2.gz RTIPYBHVAHSJIL-HNNXBMFYSA-N 1 2 328.372 0.795 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)CCOC)CC[N@@H+]1CCc1ccccc1 ZINC000257200808 244118638 /nfs/dbraw/zinc/11/86/38/244118638.db2.gz AEZNJQPBSOVKFB-INIZCTEOSA-N 1 2 333.432 0.524 40 0 ECABLO CNC(=O)[C@@H]1CN(C(=O)CCOC)CC[N@H+]1CCc1ccccc1 ZINC000257200808 244118641 /nfs/dbraw/zinc/11/86/41/244118641.db2.gz AEZNJQPBSOVKFB-INIZCTEOSA-N 1 2 333.432 0.524 40 0 ECABLO Cc1cc(N2CC[C@@H](n3cnc4c3ncnc4N)[C@](C)(O)C2)nc[nH+]1 ZINC000257213400 244155859 /nfs/dbraw/zinc/15/58/59/244155859.db2.gz CHKVFGAGDYMLAI-BDJLRTHQSA-N 1 2 340.391 0.709 40 0 ECABLO CCn1nc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1C ZINC000257225758 244197275 /nfs/dbraw/zinc/19/72/75/244197275.db2.gz FHRHNYVUFZKAFP-KRWDZBQOSA-N 1 2 329.404 0.978 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000257220047 244181193 /nfs/dbraw/zinc/18/11/93/244181193.db2.gz DJHIQZSIXZYHJS-HNNXBMFYSA-N 1 2 343.431 0.726 40 0 ECABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000257220047 244181197 /nfs/dbraw/zinc/18/11/97/244181197.db2.gz DJHIQZSIXZYHJS-HNNXBMFYSA-N 1 2 343.431 0.726 40 0 ECABLO Cc1cnc([C@@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)cn1 ZINC000257261426 244350473 /nfs/dbraw/zinc/35/04/73/244350473.db2.gz LHGNCMUVZRSNNU-HNNXBMFYSA-N 1 2 340.449 0.582 40 0 ECABLO Cc1cnc([C@@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)cn1 ZINC000257261426 244350477 /nfs/dbraw/zinc/35/04/77/244350477.db2.gz LHGNCMUVZRSNNU-HNNXBMFYSA-N 1 2 340.449 0.582 40 0 ECABLO COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1 ZINC000010339064 211165459 /nfs/dbraw/zinc/16/54/59/211165459.db2.gz XCQBSNJUTZHBCZ-SECBINFHSA-N 1 2 328.332 0.714 40 0 ECABLO COCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096201029 292273629 /nfs/dbraw/zinc/27/36/29/292273629.db2.gz RTFLJDTWYYFZMR-SJORKVTESA-N 1 2 333.432 0.962 40 0 ECABLO O=C([C@H]1CCOC1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188474 436521114 /nfs/dbraw/zinc/52/11/14/436521114.db2.gz QXRARMBDCWPXHJ-KBPBESRZSA-N 1 2 332.404 0.500 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@H]3C2)no1 ZINC000096043202 436505293 /nfs/dbraw/zinc/50/52/93/436505293.db2.gz YEQDCYXFNNCXQT-IMJJTQAJSA-N 1 2 335.404 0.821 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@H]3C2)no1 ZINC000096043202 436505299 /nfs/dbraw/zinc/50/52/99/436505299.db2.gz YEQDCYXFNNCXQT-IMJJTQAJSA-N 1 2 335.404 0.821 40 0 ECABLO Cn1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2nccs2)C3)cn1 ZINC000096076872 436509633 /nfs/dbraw/zinc/50/96/33/436509633.db2.gz ZFNJPLDYAYMKEO-MRXNPFEDSA-N 1 2 349.460 0.984 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2nccs2)C3)cn1 ZINC000096076872 436509639 /nfs/dbraw/zinc/50/96/39/436509639.db2.gz ZFNJPLDYAYMKEO-MRXNPFEDSA-N 1 2 349.460 0.984 40 0 ECABLO C[N@@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1ccsc1)CC2 ZINC000096077158 436510326 /nfs/dbraw/zinc/51/03/26/436510326.db2.gz QHOUERJQEJVGTJ-UHFFFAOYSA-N 1 2 337.445 0.489 40 0 ECABLO C[N@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1ccsc1)CC2 ZINC000096077158 436510329 /nfs/dbraw/zinc/51/03/29/436510329.db2.gz QHOUERJQEJVGTJ-UHFFFAOYSA-N 1 2 337.445 0.489 40 0 ECABLO CNC(=O)[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCCOC ZINC000096113020 436512927 /nfs/dbraw/zinc/51/29/27/436512927.db2.gz RIGAOAUBMLNKSR-JKSUJKDBSA-N 1 2 333.432 0.571 40 0 biogenic,in-vitro ECABLO CNC(=O)[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCCOC ZINC000096113020 436512930 /nfs/dbraw/zinc/51/29/30/436512930.db2.gz RIGAOAUBMLNKSR-JKSUJKDBSA-N 1 2 333.432 0.571 40 0 biogenic,in-vitro ECABLO CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096219021 436525640 /nfs/dbraw/zinc/52/56/40/436525640.db2.gz CKLBKSJJULCNQB-OCCSQVGLSA-N 1 2 326.422 0.248 40 0 ECABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1ccnnc1)CC2 ZINC000096230126 436526400 /nfs/dbraw/zinc/52/64/00/436526400.db2.gz YIXPGEDWHDGNRE-UHFFFAOYSA-N 1 2 343.431 0.635 40 0 ECABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)c1ccnnc1)CC2 ZINC000096230126 436526407 /nfs/dbraw/zinc/52/64/07/436526407.db2.gz YIXPGEDWHDGNRE-UHFFFAOYSA-N 1 2 343.431 0.635 40 0 ECABLO C[C@@H](CNC(=O)c1cccc(-c2cncnc2)n1)[NH+]1CCOCC1 ZINC000257334395 436875499 /nfs/dbraw/zinc/87/54/99/436875499.db2.gz YFRXMWOFNICDSO-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)C1CC1 ZINC000306129960 437165313 /nfs/dbraw/zinc/16/53/13/437165313.db2.gz ISPLBHLZVORHNV-CYZMBNFOSA-N 1 2 343.474 0.672 40 0 ECABLO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)C1CC1 ZINC000306129960 437165320 /nfs/dbraw/zinc/16/53/20/437165320.db2.gz ISPLBHLZVORHNV-CYZMBNFOSA-N 1 2 343.474 0.672 40 0 ECABLO CS(=O)(=O)NC[C@H]1CN(C(=O)C2=CCCCC2)Cc2c[nH+]cn21 ZINC000306142922 437168013 /nfs/dbraw/zinc/16/80/13/437168013.db2.gz XODQHHKUYVDNQR-AWEZNQCLSA-N 1 2 338.433 0.816 40 0 ECABLO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332842465 437251920 /nfs/dbraw/zinc/25/19/20/437251920.db2.gz DLPUWMPMVWAEKX-MNOVXSKESA-N 1 2 326.422 0.486 40 0 ECABLO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332842465 437251922 /nfs/dbraw/zinc/25/19/22/437251922.db2.gz DLPUWMPMVWAEKX-MNOVXSKESA-N 1 2 326.422 0.486 40 0 ECABLO C[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329064663 437310617 /nfs/dbraw/zinc/31/06/17/437310617.db2.gz XKZPCPITECWTRZ-OCCSQVGLSA-N 1 2 329.404 0.766 40 0 ECABLO OCCNc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000328996727 437300969 /nfs/dbraw/zinc/30/09/69/437300969.db2.gz JMPNDIGTVIIGOL-UHFFFAOYSA-N 1 2 336.399 0.836 40 0 ECABLO CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000408604983 438583259 /nfs/dbraw/zinc/58/32/59/438583259.db2.gz MHWJNGGLOYRTRY-LBPRGKRZSA-N 1 2 341.433 0.136 40 0 ECABLO CCS(=O)(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408704264 438583561 /nfs/dbraw/zinc/58/35/61/438583561.db2.gz ZIDGQXRCDOCBJF-UHFFFAOYSA-N 1 2 341.433 0.510 40 0 ECABLO O=C(Cn1cc[nH+]c1)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585276889 439636733 /nfs/dbraw/zinc/63/67/33/439636733.db2.gz SNSOBBPZNHILSS-KRWDZBQOSA-N 1 2 331.372 0.552 40 0 ECABLO CO[C@@]1(CCC(N)=O)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000585290989 439641339 /nfs/dbraw/zinc/64/13/39/439641339.db2.gz JXWSZWBGHNSFJK-NKEDHYFDSA-N 1 2 339.436 0.148 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCC(=O)N(C)C)[nH]n1 ZINC000585094628 439627142 /nfs/dbraw/zinc/62/71/42/439627142.db2.gz FZSKMDNNVBLHHB-CQSZACIVSA-N 1 2 346.435 0.483 40 0 ECABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCC(=O)N(C)C)n[nH]1 ZINC000585094628 439627146 /nfs/dbraw/zinc/62/71/46/439627146.db2.gz FZSKMDNNVBLHHB-CQSZACIVSA-N 1 2 346.435 0.483 40 0 ECABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000242827979 545934735 /nfs/dbraw/zinc/93/47/35/545934735.db2.gz FOSJEJQUNJAZQN-UHFFFAOYSA-N 1 2 347.481 0.029 40 0 ECABLO Cc1cc(Nc2cnccn2)nc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072360951 216167724 /nfs/dbraw/zinc/16/77/24/216167724.db2.gz 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0.570 40 0 ECABLO O=C(N1CCOCC1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188484 436520704 /nfs/dbraw/zinc/52/07/04/436520704.db2.gz NBWKZKINVAGDTB-AWEZNQCLSA-N 1 2 347.419 0.390 40 0 ECABLO COCC(=O)N1CCCn2c(=O)cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197687 436521386 /nfs/dbraw/zinc/52/13/86/436521386.db2.gz VGIZCXJWZMODKM-UHFFFAOYSA-N 1 2 343.387 0.629 40 0 ECABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1 ZINC000096062121 436508459 /nfs/dbraw/zinc/50/84/59/436508459.db2.gz CKDQXUUPJLNQKG-LBPRGKRZSA-N 1 2 330.392 0.853 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229331 436527246 /nfs/dbraw/zinc/52/72/46/436527246.db2.gz XQWGOQSWGKDPBS-MRXNPFEDSA-N 1 2 339.461 0.956 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229331 436527247 /nfs/dbraw/zinc/52/72/47/436527247.db2.gz XQWGOQSWGKDPBS-MRXNPFEDSA-N 1 2 339.461 0.956 40 0 ECABLO Cn1c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2sc1=O ZINC000064946768 436651260 /nfs/dbraw/zinc/65/12/60/436651260.db2.gz HGGGUFVRCCCVAX-UHFFFAOYSA-N 1 2 327.431 0.536 40 0 ECABLO C[N@@H+]1CC2(CN(Cc3ccncc3)C2)OC[C@H]1C(=O)N1CCCC1 ZINC000248098684 436800316 /nfs/dbraw/zinc/80/03/16/436800316.db2.gz ZFTLXYHHUZTPMC-INIZCTEOSA-N 1 2 330.432 0.589 40 0 ECABLO C[N@H+]1CC2(CN(Cc3ccncc3)C2)OC[C@H]1C(=O)N1CCCC1 ZINC000248098684 436800320 /nfs/dbraw/zinc/80/03/20/436800320.db2.gz ZFTLXYHHUZTPMC-INIZCTEOSA-N 1 2 330.432 0.589 40 0 ECABLO O=C(C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1)N1CCOCC1 ZINC000257285614 436862095 /nfs/dbraw/zinc/86/20/95/436862095.db2.gz PHYUUTREIJWYDG-AWEZNQCLSA-N 1 2 345.403 0.821 40 0 ECABLO O=C(C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1)N1CCOCC1 ZINC000257285614 436862098 /nfs/dbraw/zinc/86/20/98/436862098.db2.gz PHYUUTREIJWYDG-AWEZNQCLSA-N 1 2 345.403 0.821 40 0 ECABLO O=C(CCc1ccccc1)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257283280 436862425 /nfs/dbraw/zinc/86/24/25/436862425.db2.gz OXQMLBCXEJBDBJ-IIDMSEBBSA-N 1 2 331.416 0.059 40 0 ECABLO O=C(CCc1ccccc1)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257283280 436862429 /nfs/dbraw/zinc/86/24/29/436862429.db2.gz OXQMLBCXEJBDBJ-IIDMSEBBSA-N 1 2 331.416 0.059 40 0 ECABLO Cc1cc(C)n(CCCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000257291129 436863617 /nfs/dbraw/zinc/86/36/17/436863617.db2.gz QFUFZFAUCSWVTO-IAGOWNOFSA-N 1 2 349.479 0.099 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[N@@H+]2C)cc1 ZINC000257311173 436868209 /nfs/dbraw/zinc/86/82/09/436868209.db2.gz UIHGPVFDDBJCJF-HNNXBMFYSA-N 1 2 328.372 0.907 40 0 ECABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[N@H+]2C)cc1 ZINC000257311173 436868210 /nfs/dbraw/zinc/86/82/10/436868210.db2.gz UIHGPVFDDBJCJF-HNNXBMFYSA-N 1 2 328.372 0.907 40 0 ECABLO O=C(N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000257307490 436868311 /nfs/dbraw/zinc/86/83/11/436868311.db2.gz SYVUSXLPYGLKSU-IIAWOOMASA-N 1 2 334.420 0.242 40 0 ECABLO CCCn1cc[nH+]c1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257321276 436871216 /nfs/dbraw/zinc/87/12/16/436871216.db2.gz WAYJYHYTWNHDGU-HOTGVXAUSA-N 1 2 348.447 0.884 40 0 ECABLO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257316989 436871383 /nfs/dbraw/zinc/87/13/83/436871383.db2.gz VHWJPWQDPWZJIE-NCOADZHNSA-N 1 2 349.431 0.435 40 0 ECABLO CCn1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NCCOC)C2)cn1 ZINC000306144987 437166582 /nfs/dbraw/zinc/16/65/82/437166582.db2.gz ZTZIOAVYHOMPOS-CQSZACIVSA-N 1 2 346.435 0.499 40 0 ECABLO CCn1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NCCOC)C2)cn1 ZINC000306144987 437166584 /nfs/dbraw/zinc/16/65/84/437166584.db2.gz ZTZIOAVYHOMPOS-CQSZACIVSA-N 1 2 346.435 0.499 40 0 ECABLO CCn1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCCOC)C2)cn1 ZINC000306144986 437168633 /nfs/dbraw/zinc/16/86/33/437168633.db2.gz ZTZIOAVYHOMPOS-AWEZNQCLSA-N 1 2 346.435 0.499 40 0 ECABLO CCn1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCCOC)C2)cn1 ZINC000306144986 437168639 /nfs/dbraw/zinc/16/86/39/437168639.db2.gz ZTZIOAVYHOMPOS-AWEZNQCLSA-N 1 2 346.435 0.499 40 0 ECABLO FC(F)(F)c1cc(NCC[NH+]2CCOCC2)nc(NC2CC2)n1 ZINC000329071532 437313269 /nfs/dbraw/zinc/31/32/69/437313269.db2.gz ZQQXBBDBHFXZKV-UHFFFAOYSA-N 1 2 331.342 0.658 40 0 ECABLO Cn1cc[nH+]c1CN1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514289988 438812624 /nfs/dbraw/zinc/81/26/24/438812624.db2.gz QOUUBNJOTPNWOB-YPMHNXCESA-N 1 2 334.401 0.344 40 0 biogenic,in-vitro ECABLO Cn1cnc(C(=O)N2CCCn3c(C[NH+]4CCCC4)nnc3C2)n1 ZINC000585110552 439630710 /nfs/dbraw/zinc/63/07/10/439630710.db2.gz UXXFXUYEVBNRJB-UHFFFAOYSA-N 1 2 330.396 0.049 40 0 ECABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cccc3c1OCCO3)C2 ZINC000585094725 439627384 /nfs/dbraw/zinc/62/73/84/439627384.db2.gz JHXQTVOTGCJMQK-LLVKDONJSA-N 1 2 329.356 0.751 40 0 ECABLO COCC(=O)N1CCc2c(nc3cc(C4CC[NH2+]CC4)[nH]n3c2=O)C1 ZINC000100234460 219095328 /nfs/dbraw/zinc/09/53/28/219095328.db2.gz YEDSZHUYTQTFHA-UHFFFAOYSA-N 1 2 345.403 0.433 40 0 ECABLO O=C(N1CCCC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096059610 283888558 /nfs/dbraw/zinc/88/85/58/283888558.db2.gz ZCGLKSOOCIBIAG-UHFFFAOYSA-N 1 2 342.403 0.910 40 0 ECABLO Cc1cc(C[N@@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)no1 ZINC000257205175 244129182 /nfs/dbraw/zinc/12/91/82/244129182.db2.gz AXYMRTLXPPCQDO-KBPBESRZSA-N 1 2 329.422 0.344 40 0 ECABLO Cc1cc(C[N@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)no1 ZINC000257205175 244129188 /nfs/dbraw/zinc/12/91/88/244129188.db2.gz AXYMRTLXPPCQDO-KBPBESRZSA-N 1 2 329.422 0.344 40 0 ECABLO O=C(NCC[NH+]1CCOCC1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937329 212088018 /nfs/dbraw/zinc/08/80/18/212088018.db2.gz PYMULYHHKFQSCW-UHFFFAOYSA-N 1 2 328.372 0.499 40 0 ECABLO CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019500757 212034165 /nfs/dbraw/zinc/03/41/65/212034165.db2.gz NPECJSMGFDAYKF-LWGWVAHUSA-N 1 2 346.383 0.892 40 0 ECABLO CCOC(=O)C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000012275299 211333911 /nfs/dbraw/zinc/33/39/11/211333911.db2.gz CGUHNPDFYBBWOT-UHFFFAOYSA-N 1 2 345.399 0.787 40 0 ECABLO N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CC[NH+](CCO)CC1 ZINC000025183664 436146550 /nfs/dbraw/zinc/14/65/50/436146550.db2.gz VAXOZBMKWCGWCF-UHFFFAOYSA-N 1 2 332.795 0.907 40 0 ECABLO Cn1ccnc1C[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC000096240047 436526617 /nfs/dbraw/zinc/52/66/17/436526617.db2.gz LKDDZYFRZQGXMC-UHFFFAOYSA-N 1 2 342.465 0.294 40 0 ECABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC000096249730 436527690 /nfs/dbraw/zinc/52/76/90/436527690.db2.gz RKEJYECBLUATDH-HUUCEWRRSA-N 1 2 328.420 0.937 40 0 ECABLO Cn1ccnc1C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC000096249730 436527692 /nfs/dbraw/zinc/52/76/92/436527692.db2.gz RKEJYECBLUATDH-HUUCEWRRSA-N 1 2 328.420 0.937 40 0 ECABLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NS(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000096249239 436528602 /nfs/dbraw/zinc/52/86/02/436528602.db2.gz IIRLNQFYONRWPR-BBRMVZONSA-N 1 2 347.444 0.676 40 0 ECABLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NS(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000096249239 436528607 /nfs/dbraw/zinc/52/86/07/436528607.db2.gz IIRLNQFYONRWPR-BBRMVZONSA-N 1 2 347.444 0.676 40 0 ECABLO CN(C)C(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096250918 436529107 /nfs/dbraw/zinc/52/91/07/436529107.db2.gz GGHZTGPIESSREZ-RRFJBIMHSA-N 1 2 337.445 0.405 40 0 ECABLO CN(C)C(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096250918 436529111 /nfs/dbraw/zinc/52/91/11/436529111.db2.gz GGHZTGPIESSREZ-RRFJBIMHSA-N 1 2 337.445 0.405 40 0 ECABLO COCC(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)[nH+]cn3)C2)OC1 ZINC000248118233 436800877 /nfs/dbraw/zinc/80/08/77/436800877.db2.gz MHVUSVWQBIZMJJ-CYBMUJFWSA-N 1 2 349.435 0.291 40 0 ECABLO COCC(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)nc[nH+]3)C2)OC1 ZINC000248118233 436800880 /nfs/dbraw/zinc/80/08/80/436800880.db2.gz MHVUSVWQBIZMJJ-CYBMUJFWSA-N 1 2 349.435 0.291 40 0 ECABLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2O)CC1 ZINC000257228466 436858918 /nfs/dbraw/zinc/85/89/18/436858918.db2.gz FTYZVWRTJOFTGR-HUUCEWRRSA-N 1 2 337.445 0.026 40 0 ECABLO Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257305368 436868859 /nfs/dbraw/zinc/86/88/59/436868859.db2.gz SPRLXCNIDCYXIS-GPMSIDNRSA-N 1 2 345.443 0.368 40 0 ECABLO Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257305368 436868863 /nfs/dbraw/zinc/86/88/63/436868863.db2.gz SPRLXCNIDCYXIS-GPMSIDNRSA-N 1 2 345.443 0.368 40 0 ECABLO CN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257305409 436868913 /nfs/dbraw/zinc/86/89/13/436868913.db2.gz SPWMGENOMZBHHH-QGZVFWFLSA-N 1 2 344.419 0.252 40 0 ECABLO CN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257305409 436868914 /nfs/dbraw/zinc/86/89/14/436868914.db2.gz SPWMGENOMZBHHH-QGZVFWFLSA-N 1 2 344.419 0.252 40 0 ECABLO Cc1noc(C)c1CC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257311155 436868946 /nfs/dbraw/zinc/86/89/46/436868946.db2.gz UIFITKJGNQPPIU-QGZVFWFLSA-N 1 2 330.388 0.987 40 0 ECABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000257317635 436869682 /nfs/dbraw/zinc/86/96/82/436869682.db2.gz VKOXCLIAGYOXOA-LLVKDONJSA-N 1 2 337.405 0.764 40 0 ECABLO O=C(c1ccc2ccccc2n1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257342797 436875146 /nfs/dbraw/zinc/87/51/46/436875146.db2.gz ZQEVANWXCZQTOU-IAGOWNOFSA-N 1 2 327.384 0.752 40 0 ECABLO CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)on2)Cc2c[nH+]cn21 ZINC000306130900 437167999 /nfs/dbraw/zinc/16/79/99/437167999.db2.gz JSHAKYWBJNEWRS-AWEZNQCLSA-N 1 2 339.421 0.676 40 0 ECABLO Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585097579 439629485 /nfs/dbraw/zinc/62/94/85/439629485.db2.gz MTAXXDCZLJPQIV-CQSZACIVSA-N 1 2 345.403 0.926 40 0 ECABLO CC(=O)N1CC[N@@H+](Cc2nc3ccccc3n2C)C[C@H](C(N)=O)C1 ZINC000585178740 439635054 /nfs/dbraw/zinc/63/50/54/439635054.db2.gz DELCGZRULSTYDP-ZDUSSCGKSA-N 1 2 329.404 0.339 40 0 ECABLO CC(=O)N1CC[N@H+](Cc2nc3ccccc3n2C)C[C@H](C(N)=O)C1 ZINC000585178740 439635057 /nfs/dbraw/zinc/63/50/57/439635057.db2.gz DELCGZRULSTYDP-ZDUSSCGKSA-N 1 2 329.404 0.339 40 0 ECABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2cc(OC)ccc2F)CCO1 ZINC000585276479 439637396 /nfs/dbraw/zinc/63/73/96/439637396.db2.gz AQLXTHUCPHVTQV-MRXNPFEDSA-N 1 2 326.368 0.927 40 0 ECABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2cc(OC)ccc2F)CCO1 ZINC000585276479 439637400 /nfs/dbraw/zinc/63/74/00/439637400.db2.gz AQLXTHUCPHVTQV-MRXNPFEDSA-N 1 2 326.368 0.927 40 0 ECABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072360950 216167152 /nfs/dbraw/zinc/16/71/52/216167152.db2.gz JAUWARJSIWAZNG-GFCCVEGCSA-N 1 2 327.392 0.983 40 0 ECABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072360950 216167156 /nfs/dbraw/zinc/16/71/56/216167156.db2.gz JAUWARJSIWAZNG-GFCCVEGCSA-N 1 2 327.392 0.983 40 0 ECABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420261 284022210 /nfs/dbraw/zinc/02/22/10/284022210.db2.gz PUWNMBHSJKJIDM-AHXJXLJNSA-N 1 2 346.383 0.979 40 0 ECABLO O=C(N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2c(c1)CCC2 ZINC000257217243 284094383 /nfs/dbraw/zinc/09/43/83/284094383.db2.gz CYEPVUAUHFKJKB-JFIYKMOQSA-N 1 2 343.427 0.229 40 0 ECABLO O=C(N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2c(c1)CCC2 ZINC000257217243 284094384 /nfs/dbraw/zinc/09/43/84/284094384.db2.gz CYEPVUAUHFKJKB-JFIYKMOQSA-N 1 2 343.427 0.229 40 0 ECABLO Cc1[nH+]c[nH]c1CN1CCOC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257222506 244189393 /nfs/dbraw/zinc/18/93/93/244189393.db2.gz DTNVWHRORVHNDI-LLVKDONJSA-N 1 2 325.394 0.418 40 0 ECABLO CN(C)c1cc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cc[nH+]1 ZINC000257224440 244194465 /nfs/dbraw/zinc/19/44/65/244194465.db2.gz FBVQCECHMPJAGW-GFCCVEGCSA-N 1 2 331.376 0.363 40 0 ECABLO O=C(CCOc1ccccc1F)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257233721 244224503 /nfs/dbraw/zinc/22/45/03/244224503.db2.gz GQLUGBGGUGYJFF-HUUCEWRRSA-N 1 2 338.379 0.499 40 0 ECABLO O=S(=O)(c1ccc(F)cc1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257235542 244226265 /nfs/dbraw/zinc/22/62/65/244226265.db2.gz GYFYJJMZZGRZQX-OAHLLOKOSA-N 1 2 344.408 0.283 40 0 ECABLO C[C@@]1(O)CC[N@H+](Cc2ncccc2F)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257258904 244290696 /nfs/dbraw/zinc/29/06/96/244290696.db2.gz KVZOQHHMLQCXCB-CZUORRHYSA-N 1 2 334.351 0.681 40 0 ECABLO C[C@@]1(O)CC[N@@H+](Cc2ncccc2F)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257258904 244290700 /nfs/dbraw/zinc/29/07/00/244290700.db2.gz KVZOQHHMLQCXCB-CZUORRHYSA-N 1 2 334.351 0.681 40 0 ECABLO Cc1ncsc1C[N@@H+]1CCO[C@](C)(C(=O)N2CCOCC2)C1 ZINC000257258485 244291455 /nfs/dbraw/zinc/29/14/55/244291455.db2.gz KUFADVVQOSLQTQ-HNNXBMFYSA-N 1 2 325.434 0.901 40 0 ECABLO Cc1ncsc1C[N@H+]1CCO[C@](C)(C(=O)N2CCOCC2)C1 ZINC000257258485 244291462 /nfs/dbraw/zinc/29/14/62/244291462.db2.gz KUFADVVQOSLQTQ-HNNXBMFYSA-N 1 2 325.434 0.901 40 0 ECABLO CCCn1cc(C[N@@H+]2CCO[C@@](C)(C(=O)N3CCOCC3)C2)cn1 ZINC000257265346 244359297 /nfs/dbraw/zinc/35/92/97/244359297.db2.gz LYHNBLGZPPZFKN-QGZVFWFLSA-N 1 2 336.436 0.743 40 0 ECABLO CCCn1cc(C[N@H+]2CCO[C@@](C)(C(=O)N3CCOCC3)C2)cn1 ZINC000257265346 244359302 /nfs/dbraw/zinc/35/93/02/244359302.db2.gz LYHNBLGZPPZFKN-QGZVFWFLSA-N 1 2 336.436 0.743 40 0 ECABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)[nH+]1 ZINC000257270708 244377330 /nfs/dbraw/zinc/37/73/30/244377330.db2.gz MVIXOBWUZDDMOV-CQSZACIVSA-N 1 2 329.404 1.000 40 0 ECABLO Cn1c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2oc1=O ZINC000019936626 212087781 /nfs/dbraw/zinc/08/77/81/212087781.db2.gz XBQMVIRYHOZGJR-UHFFFAOYSA-N 1 2 336.373 0.697 40 0 ECABLO CC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019500755 212033969 /nfs/dbraw/zinc/03/39/69/212033969.db2.gz NPECJSMGFDAYKF-NUXNZHGMSA-N 1 2 346.383 0.892 40 0 ECABLO CCS(=O)(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202284 280015152 /nfs/dbraw/zinc/01/51/52/280015152.db2.gz SBJMFXXHYIATFO-OAHLLOKOSA-N 1 2 325.434 0.960 40 0 ECABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000257324375 293486590 /nfs/dbraw/zinc/48/65/90/293486590.db2.gz WOLBUTSLHYTJEJ-SFHVURJKSA-N 1 2 344.415 0.891 40 0 ECABLO C[C@H]1CC(=O)N=C(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000019141985 436104070 /nfs/dbraw/zinc/10/40/70/436104070.db2.gz WDROVQIUPOGTLG-LBPRGKRZSA-N 1 2 347.444 0.728 40 0 ECABLO C[NH+]1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3nccs3)O2)CC1 ZINC000096183656 436519657 /nfs/dbraw/zinc/51/96/57/436519657.db2.gz FAUGIXWKGCQKJF-MELADBBJSA-N 1 2 336.461 0.649 40 0 ECABLO O=C(c1ccno1)N1Cc2[nH+]ccn2C[C@H](Cn2ncccc2=O)C1 ZINC000096188735 436520327 /nfs/dbraw/zinc/52/03/27/436520327.db2.gz MQXVWVKSRWYUQA-LBPRGKRZSA-N 1 2 340.343 0.400 40 0 ECABLO C[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCN(c4ncc(F)cn4)C[C@@H]3O2)CC1 ZINC000096043207 436504918 /nfs/dbraw/zinc/50/49/18/436504918.db2.gz AKCUJICNRCWJST-CFVMTHIKSA-N 1 2 349.410 0.374 40 0 ECABLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096056354 436506594 /nfs/dbraw/zinc/50/65/94/436506594.db2.gz FBPYFCKQAVFNMH-BZUAXINKSA-N 1 2 341.415 0.977 40 0 ECABLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096056354 436506598 /nfs/dbraw/zinc/50/65/98/436506598.db2.gz FBPYFCKQAVFNMH-BZUAXINKSA-N 1 2 341.415 0.977 40 0 ECABLO CN(C)C(=O)C[N@@H+]1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096229416 436526452 /nfs/dbraw/zinc/52/64/52/436526452.db2.gz CPYFSXVNVSBPFS-KRWDZBQOSA-N 1 2 337.420 0.271 40 0 ECABLO CN(C)C(=O)C[N@H+]1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096229416 436526457 /nfs/dbraw/zinc/52/64/57/436526457.db2.gz CPYFSXVNVSBPFS-KRWDZBQOSA-N 1 2 337.420 0.271 40 0 ECABLO CN(C)C(=O)CN1CCOC[C@]2(C[N@H+](Cc3ccoc3)CCO2)C1 ZINC000096229416 436526462 /nfs/dbraw/zinc/52/64/62/436526462.db2.gz CPYFSXVNVSBPFS-KRWDZBQOSA-N 1 2 337.420 0.271 40 0 ECABLO CN(C)C(=O)CN1CCOC[C@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096229416 436526466 /nfs/dbraw/zinc/52/64/66/436526466.db2.gz CPYFSXVNVSBPFS-KRWDZBQOSA-N 1 2 337.420 0.271 40 0 ECABLO CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000257295816 436863376 /nfs/dbraw/zinc/86/33/76/436863376.db2.gz QZZZYFYSDMOVFK-KRWDZBQOSA-N 1 2 344.419 0.553 40 0 ECABLO O=S(=O)(c1cccc(F)c1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257312686 436869210 /nfs/dbraw/zinc/86/92/10/436869210.db2.gz UPCILWUQJSZUJR-OAHLLOKOSA-N 1 2 344.408 0.283 40 0 ECABLO O=C(CN1CCCCCC1=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257316094 436870599 /nfs/dbraw/zinc/87/05/99/436870599.db2.gz VEBYYQBTUXLYKV-SFHVURJKSA-N 1 2 346.431 0.542 40 0 ECABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257338906 436875485 /nfs/dbraw/zinc/87/54/85/436875485.db2.gz YZKBFMIOTDRCSN-LSDHHAIUSA-N 1 2 342.399 0.643 40 0 ECABLO CCS(=O)(=O)NC[C@@H]1CN(Cc2nccs2)Cc2c[nH+]cn21 ZINC000306125452 437163895 /nfs/dbraw/zinc/16/38/95/437163895.db2.gz CRHUHDOJSDPBQJ-GFCCVEGCSA-N 1 2 341.462 0.836 40 0 ECABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](COCC(=O)N(C)C)C2)n(C)n1 ZINC000306126035 437164397 /nfs/dbraw/zinc/16/43/97/437164397.db2.gz DKENGZGCJIAICS-MRXNPFEDSA-N 1 2 346.435 0.587 40 0 ECABLO Cc1onc(N)c1S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000331261125 437728919 /nfs/dbraw/zinc/72/89/19/437728919.db2.gz KZDOPCTYKCBOSQ-NSHDSACASA-N 1 2 332.426 0.200 40 0 ECABLO Cc1onc(N)c1S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000331261125 437728922 /nfs/dbraw/zinc/72/89/22/437728922.db2.gz KZDOPCTYKCBOSQ-NSHDSACASA-N 1 2 332.426 0.200 40 0 ECABLO CNC(=O)[C@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)Cc2c[nH+]cn21 ZINC000585095963 439628592 /nfs/dbraw/zinc/62/85/92/439628592.db2.gz HLPNHHUMMSMRQK-UKRRQHHQSA-N 1 2 326.356 0.516 40 0 ECABLO COCCc1c[nH+]c2n1CCN(S(=O)(=O)c1cn(C)cn1)[C@@H]2C ZINC000585098775 439629225 /nfs/dbraw/zinc/62/92/25/439629225.db2.gz ZZABOMRVEXJBLX-LLVKDONJSA-N 1 2 339.421 0.571 40 0 ECABLO O=C(Cn1cc[nH+]c1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585277389 439636674 /nfs/dbraw/zinc/63/66/74/439636674.db2.gz VTFIWRQLSKETHL-QGZVFWFLSA-N 1 2 333.363 0.855 40 0 ECABLO CC(=O)NCc1ccnc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257204937 244130846 /nfs/dbraw/zinc/13/08/46/244130846.db2.gz AWYJALKYHJVGHY-CQSZACIVSA-N 1 2 330.392 0.420 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccnn3C)CC[N@@H+]2C)c1 ZINC000257238803 244234647 /nfs/dbraw/zinc/23/46/47/244234647.db2.gz HMPSRUSWHROSKG-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccnn3C)CC[N@H+]2C)c1 ZINC000257238803 244234649 /nfs/dbraw/zinc/23/46/49/244234649.db2.gz HMPSRUSWHROSKG-MRXNPFEDSA-N 1 2 341.415 0.909 40 0 ECABLO O=C(CCN1CC1)NCCCCCCCCNC(=O)CC[NH+]1CC1 ZINC000004994407 210352893 /nfs/dbraw/zinc/35/28/93/210352893.db2.gz QWYPVKTWQWPOPK-UHFFFAOYSA-N 1 2 338.496 0.971 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]2[N@@H+]1C ZINC000096182559 436519322 /nfs/dbraw/zinc/51/93/22/436519322.db2.gz GNBWMHOWJBCSGE-HONMWMINSA-N 1 2 341.408 0.265 40 0 ECABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]2[N@H+]1C ZINC000096182559 436519324 /nfs/dbraw/zinc/51/93/24/436519324.db2.gz GNBWMHOWJBCSGE-HONMWMINSA-N 1 2 341.408 0.265 40 0 ECABLO Cn1cc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3C2)cn1 ZINC000096081623 436509654 /nfs/dbraw/zinc/50/96/54/436509654.db2.gz WHKQSOVEHWMBBX-HZPDHXFCSA-N 1 2 327.388 0.427 40 0 ECABLO Cn1cc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3C2)cn1 ZINC000096081623 436509657 /nfs/dbraw/zinc/50/96/57/436509657.db2.gz WHKQSOVEHWMBBX-HZPDHXFCSA-N 1 2 327.388 0.427 40 0 ECABLO Cn1cc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2nccs2)C3)cn1 ZINC000096076871 436510806 /nfs/dbraw/zinc/51/08/06/436510806.db2.gz ZFNJPLDYAYMKEO-INIZCTEOSA-N 1 2 349.460 0.984 40 0 ECABLO Cn1cc(C[N@H+]2CCO[C@]3(C2)COCCN(c2nccs2)C3)cn1 ZINC000096076871 436510810 /nfs/dbraw/zinc/51/08/10/436510810.db2.gz ZFNJPLDYAYMKEO-INIZCTEOSA-N 1 2 349.460 0.984 40 0 ECABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)CNC(=O)CN3C(=O)N(C)C)cs1 ZINC000096093705 436512750 /nfs/dbraw/zinc/51/27/50/436512750.db2.gz KVIDVNTWROEYLZ-HNNXBMFYSA-N 1 2 337.449 0.509 40 0 ECABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CNC(=O)CN3C(=O)N(C)C)cs1 ZINC000096093705 436512751 /nfs/dbraw/zinc/51/27/51/436512751.db2.gz KVIDVNTWROEYLZ-HNNXBMFYSA-N 1 2 337.449 0.509 40 0 ECABLO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N(C)C)o1 ZINC000096250915 436528505 /nfs/dbraw/zinc/52/85/05/436528505.db2.gz CAQWTYMDRZCCMC-RRFJBIMHSA-N 1 2 340.445 0.911 40 0 ECABLO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N(C)C)o1 ZINC000096250915 436528508 /nfs/dbraw/zinc/52/85/08/436528508.db2.gz CAQWTYMDRZCCMC-RRFJBIMHSA-N 1 2 340.445 0.911 40 0 ECABLO CC(C)n1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257289110 436864342 /nfs/dbraw/zinc/86/43/42/436864342.db2.gz PWZVTNAOBFLFMN-HUUCEWRRSA-N 1 2 330.392 0.229 40 0 ECABLO CC(C)n1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257289110 436864347 /nfs/dbraw/zinc/86/43/47/436864347.db2.gz PWZVTNAOBFLFMN-HUUCEWRRSA-N 1 2 330.392 0.229 40 0 ECABLO Cc1nc(N)nc(C)c1CCC(=O)N1CC[N@@H+](C(C)C)[C@@H](C(N)=O)C1 ZINC000257296382 436866119 /nfs/dbraw/zinc/86/61/19/436866119.db2.gz RCOOJTBRTQWUTQ-CQSZACIVSA-N 1 2 348.451 0.015 40 0 ECABLO Cc1nc(N)nc(C)c1CCC(=O)N1CC[N@H+](C(C)C)[C@@H](C(N)=O)C1 ZINC000257296382 436866124 /nfs/dbraw/zinc/86/61/24/436866124.db2.gz RCOOJTBRTQWUTQ-CQSZACIVSA-N 1 2 348.451 0.015 40 0 ECABLO Cc1noc(C)c1CC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257311154 436867601 /nfs/dbraw/zinc/86/76/01/436867601.db2.gz UIFITKJGNQPPIU-KRWDZBQOSA-N 1 2 330.388 0.987 40 0 ECABLO CCOC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000409109889 438583580 /nfs/dbraw/zinc/58/35/80/438583580.db2.gz NGLBGFTVEFGMOP-UHFFFAOYSA-N 1 2 342.417 0.565 40 0 ECABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CC3CC3)C2)C1 ZINC000514288821 438813688 /nfs/dbraw/zinc/81/36/88/438813688.db2.gz FUXZDYHPUOYZJF-DLBZAZTESA-N 1 2 342.443 0.437 40 0 biogenic,in-vitro ECABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CC3CC3)C2)C1 ZINC000514288821 438813693 /nfs/dbraw/zinc/81/36/93/438813693.db2.gz FUXZDYHPUOYZJF-DLBZAZTESA-N 1 2 342.443 0.437 40 0 biogenic,in-vitro ECABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CCOCC2)C1 ZINC000585096167 439628616 /nfs/dbraw/zinc/62/86/16/439628616.db2.gz WRNFCCGFKNCSDN-HNNXBMFYSA-N 1 2 334.420 0.965 40 0 ECABLO Cc1c(CN2Cc3ncn(C)c3C[C@H]2C[NH+]2CCOCC2)cnn1C ZINC000585094837 439627528 /nfs/dbraw/zinc/62/75/28/439627528.db2.gz PAQOTMOWZOHVIR-INIZCTEOSA-N 1 2 344.463 0.721 40 0 ECABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 ZINC000067897646 215245564 /nfs/dbraw/zinc/24/55/64/215245564.db2.gz KAZPVOFIBUYMLK-KGLIPLIRSA-N 1 2 341.371 0.067 40 0 biogenic,in-vitro ECABLO CS(=O)(=O)N1CCC(c2cccc(N3CC[C@@H](O)C3)[nH+]2)CC1 ZINC000072365307 216171167 /nfs/dbraw/zinc/17/11/67/216171167.db2.gz OLEPPQJHVPETQK-CYBMUJFWSA-N 1 2 325.434 0.792 40 0 ECABLO CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000072367372 216174534 /nfs/dbraw/zinc/17/45/34/216174534.db2.gz BALOXYQFSVZCAN-INIZCTEOSA-N 1 2 346.431 0.054 40 0 ECABLO CC(=O)N1CC[N@H+](C)[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000072367372 216174539 /nfs/dbraw/zinc/17/45/39/216174539.db2.gz BALOXYQFSVZCAN-INIZCTEOSA-N 1 2 346.431 0.054 40 0 ECABLO O=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378540 216181940 /nfs/dbraw/zinc/18/19/40/216181940.db2.gz UHGGFZAPPYVXQJ-OAHLLOKOSA-N 1 2 342.403 0.658 40 0 ECABLO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000257254615 244277472 /nfs/dbraw/zinc/27/74/72/244277472.db2.gz KDXVNJBJZYGQNQ-GDBMZVCRSA-N 1 2 344.358 0.025 40 0 ECABLO COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000257254615 244277476 /nfs/dbraw/zinc/27/74/76/244277476.db2.gz KDXVNJBJZYGQNQ-GDBMZVCRSA-N 1 2 344.358 0.025 40 0 ECABLO CN([C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1 ZINC000257267298 244363949 /nfs/dbraw/zinc/36/39/49/244363949.db2.gz MGRBLAVZQHODTK-YRGRVCCFSA-N 1 2 339.421 0.392 40 0 ECABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cncc(-c2cncnc2)c1 ZINC000257270818 244375755 /nfs/dbraw/zinc/37/57/55/244375755.db2.gz MVTVWENTEPXEMW-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1C ZINC000257275792 244390868 /nfs/dbraw/zinc/39/08/68/244390868.db2.gz NQWUNFAXAPPVQG-AWEZNQCLSA-N 1 2 328.372 0.907 40 0 ECABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[N@H+]1C ZINC000257275792 244390873 /nfs/dbraw/zinc/39/08/73/244390873.db2.gz NQWUNFAXAPPVQG-AWEZNQCLSA-N 1 2 328.372 0.907 40 0 ECABLO CNc1cc([C@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)cc[nH+]1 ZINC000257275616 244391327 /nfs/dbraw/zinc/39/13/27/244391327.db2.gz NQCXVXZSPJYALK-LBPRGKRZSA-N 1 2 326.422 0.379 40 0 ECABLO C[C@@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000015936087 135709065 /nfs/dbraw/zinc/70/90/65/135709065.db2.gz PZWSBRFQZNKOCW-ZDUSSCGKSA-N 1 2 333.388 0.249 40 0 ECABLO CN(C)C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254940 288981899 /nfs/dbraw/zinc/98/18/99/288981899.db2.gz OOOVWHAXKQIJLG-UHFFFAOYSA-N 1 2 348.451 0.461 40 0 ECABLO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380482 436045538 /nfs/dbraw/zinc/04/55/38/436045538.db2.gz GDBUBGZSNQNREL-ZDUSSCGKSA-N 1 2 349.435 0.150 40 0 ECABLO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380482 436045543 /nfs/dbraw/zinc/04/55/43/436045543.db2.gz GDBUBGZSNQNREL-ZDUSSCGKSA-N 1 2 349.435 0.150 40 0 ECABLO O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1)C1CC1 ZINC000019291961 436106487 /nfs/dbraw/zinc/10/64/87/436106487.db2.gz NKTILISFQKAPAY-UHFFFAOYSA-N 1 2 331.420 0.956 40 0 ECABLO O=c1c2cnc(N3CCOCC3)nc2ccn1CCc1c[nH+]c[nH]1 ZINC000013638637 436065901 /nfs/dbraw/zinc/06/59/01/436065901.db2.gz PDYCPBXJBRAMCF-UHFFFAOYSA-N 1 2 326.360 0.594 40 0 ECABLO O=c1c2cnc(N3CCOCC3)nc2ccn1CCc1c[nH]c[nH+]1 ZINC000013638637 436065905 /nfs/dbraw/zinc/06/59/05/436065905.db2.gz PDYCPBXJBRAMCF-UHFFFAOYSA-N 1 2 326.360 0.594 40 0 ECABLO Cc1cc(C[N@H+]2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040633 436504257 /nfs/dbraw/zinc/50/42/57/436504257.db2.gz UEDNLYPZDFGSNA-YUTCNCBUSA-N 1 2 329.422 0.512 40 0 ECABLO Cc1cc(C[N@@H+]2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040633 436504261 /nfs/dbraw/zinc/50/42/61/436504261.db2.gz UEDNLYPZDFGSNA-YUTCNCBUSA-N 1 2 329.422 0.512 40 0 ECABLO CN(C)S(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096207516 436523288 /nfs/dbraw/zinc/52/32/88/436523288.db2.gz MPKAXNVVJOXVCM-CYBMUJFWSA-N 1 2 328.438 0.548 40 0 ECABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096202295 436523534 /nfs/dbraw/zinc/52/35/34/436523534.db2.gz HCFRVCNSHAUYIC-QGZVFWFLSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096202295 436523537 /nfs/dbraw/zinc/52/35/37/436523537.db2.gz HCFRVCNSHAUYIC-QGZVFWFLSA-N 1 2 328.420 0.939 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096202295 436523540 /nfs/dbraw/zinc/52/35/40/436523540.db2.gz HCFRVCNSHAUYIC-QGZVFWFLSA-N 1 2 328.420 0.939 40 0 ECABLO CO[C@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096219893 436524937 /nfs/dbraw/zinc/52/49/37/436524937.db2.gz WUTMZPNSVCQMEX-MJBXVCDLSA-N 1 2 345.490 0.932 40 0 ECABLO CO[C@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096219893 436524942 /nfs/dbraw/zinc/52/49/42/436524942.db2.gz WUTMZPNSVCQMEX-MJBXVCDLSA-N 1 2 345.490 0.932 40 0 ECABLO Cn1cc(N2C[C@@]3(COCC[N@H+](Cc4ccco4)C3)OCC2=O)cn1 ZINC000096240214 436526102 /nfs/dbraw/zinc/52/61/02/436526102.db2.gz IOVDNZGGLGHWLB-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO Cn1cc(N2C[C@@]3(COCC[N@@H+](Cc4ccco4)C3)OCC2=O)cn1 ZINC000096240214 436526107 /nfs/dbraw/zinc/52/61/07/436526107.db2.gz IOVDNZGGLGHWLB-KRWDZBQOSA-N 1 2 346.387 0.648 40 0 ECABLO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccnnc1 ZINC000247363272 436793879 /nfs/dbraw/zinc/79/38/79/436793879.db2.gz FHJFENBBASESOG-MGPQQGTHSA-N 1 2 345.428 0.810 40 0 ECABLO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccnnc1 ZINC000247363272 436793883 /nfs/dbraw/zinc/79/38/83/436793883.db2.gz FHJFENBBASESOG-MGPQQGTHSA-N 1 2 345.428 0.810 40 0 ECABLO O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCN(c2ncccn2)C1 ZINC000257292697 436863102 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CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585286976 439639826 /nfs/dbraw/zinc/63/98/26/439639826.db2.gz PRTGSGRASGUFDS-RKVPGOIHSA-N 1 2 347.415 0.832 40 0 ECABLO Cn1c[nH+]c2c1C[C@@H](COCc1ccncc1)N(S(C)(=O)=O)C2 ZINC000585094874 439627098 /nfs/dbraw/zinc/62/70/98/439627098.db2.gz RHJPLYHQCMMSRR-ZDUSSCGKSA-N 1 2 336.417 0.718 40 0 ECABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000585096127 439627191 /nfs/dbraw/zinc/62/71/91/439627191.db2.gz SSNNHJCYGZHMHV-CQSZACIVSA-N 1 2 349.416 0.301 40 0 ECABLO CCC(=O)Nc1nnc(S(=O)(=O)NC2CC[NH+](C)CC2)s1 ZINC000224447154 564042831 /nfs/dbraw/zinc/04/28/31/564042831.db2.gz SXCSDBFLBOJDSV-UHFFFAOYSA-N 1 2 333.439 0.259 40 0 ECABLO O=S(=O)(N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000257216270 244167711 /nfs/dbraw/zinc/16/77/11/244167711.db2.gz CTUMPIBHZDPHFS-RBSFLKMASA-N 1 2 344.408 0.328 40 0 ECABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1cncs1)C[C@@H]2O ZINC000257216076 244168153 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/nfs/dbraw/zinc/50/80/06/436508006.db2.gz QBTRAHYIQBVQGV-UHFFFAOYSA-N 1 2 326.360 0.882 40 0 ECABLO O=C(c1cscn1)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096067917 436510280 /nfs/dbraw/zinc/51/02/80/436510280.db2.gz FICKPWYPXMHJBH-UHFFFAOYSA-N 1 2 329.389 0.678 40 0 ECABLO c1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC000096076693 436510452 /nfs/dbraw/zinc/51/04/52/436510452.db2.gz UIRQFLLAJGBTSW-SFHVURJKSA-N 1 2 341.415 0.979 40 0 ECABLO c1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC000096076693 436510456 /nfs/dbraw/zinc/51/04/56/436510456.db2.gz UIRQFLLAJGBTSW-SFHVURJKSA-N 1 2 341.415 0.979 40 0 ECABLO COCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC000096070068 436510912 /nfs/dbraw/zinc/51/09/12/436510912.db2.gz CAMZEQPIAVNNGJ-CVEARBPZSA-N 1 2 336.436 0.301 40 0 ECABLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC000107201425 436608762 /nfs/dbraw/zinc/60/87/62/436608762.db2.gz NASQQOJMAPYNAM-FVQBIDKESA-N 1 2 343.387 0.711 40 0 ECABLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC000107201425 436608764 /nfs/dbraw/zinc/60/87/64/436608764.db2.gz NASQQOJMAPYNAM-FVQBIDKESA-N 1 2 343.387 0.711 40 0 ECABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccnc3)C2)OC1 ZINC000247496670 436794102 /nfs/dbraw/zinc/79/41/02/436794102.db2.gz DFGJPPNQRIZLIZ-AWEZNQCLSA-N 1 2 325.434 0.612 40 0 ECABLO C[C@@H](CNC(=O)c1ccnc(-c2cncnc2)c1)[NH+]1CCOCC1 ZINC000257229049 436858838 /nfs/dbraw/zinc/85/88/38/436858838.db2.gz FWMXQPMSAHGVAB-ZDUSSCGKSA-N 1 2 327.388 0.989 40 0 ECABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccnnc3)C2)nc[nH+]1 ZINC000257304880 436866806 /nfs/dbraw/zinc/86/68/06/436866806.db2.gz SNMQWLCKZHKDOG-INIZCTEOSA-N 1 2 328.376 0.336 40 0 ECABLO CCCCc1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)c[nH+]1 ZINC000257336538 436874806 /nfs/dbraw/zinc/87/48/06/436874806.db2.gz YOWPTRNPWZVJPS-ZIAGYGMSSA-N 1 2 332.408 0.451 40 0 ECABLO CCCCc1[nH]cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)[nH+]1 ZINC000257336538 436874810 /nfs/dbraw/zinc/87/48/10/436874810.db2.gz YOWPTRNPWZVJPS-ZIAGYGMSSA-N 1 2 332.408 0.451 40 0 ECABLO Cc1nonc1CC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257312415 436868336 /nfs/dbraw/zinc/86/83/36/436868336.db2.gz UNWATAXCSFFJRR-KRWDZBQOSA-N 1 2 345.403 0.805 40 0 ECABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000257319285 436869608 /nfs/dbraw/zinc/86/96/08/436869608.db2.gz VRSVRKPMYZRREC-LLVKDONJSA-N 1 2 333.392 0.375 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257323480 436869715 /nfs/dbraw/zinc/86/97/15/436869715.db2.gz WKJSRKXJVYLIML-QGZVFWFLSA-N 1 2 329.404 0.885 40 0 ECABLO O=C(c1ccc(N2CCCC2)cc1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257318873 436869750 /nfs/dbraw/zinc/86/97/50/436869750.db2.gz VPTOTKZJYUPMMA-QZTJIDSGSA-N 1 2 345.443 0.804 40 0 ECABLO CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000257318602 436870674 /nfs/dbraw/zinc/87/06/74/436870674.db2.gz VORDAFIGJCGDKU-LBPRGKRZSA-N 1 2 345.403 0.497 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)CN3CCOCC3)CC[N@@H+]2C)cc1 ZINC000257337916 436875276 /nfs/dbraw/zinc/87/52/76/436875276.db2.gz YUZZBUKDOALGST-QGZVFWFLSA-N 1 2 333.432 0.843 40 0 ECABLO COc1ccc([C@H]2CN(C(=O)CN3CCOCC3)CC[N@H+]2C)cc1 ZINC000257337916 436875282 /nfs/dbraw/zinc/87/52/82/436875282.db2.gz YUZZBUKDOALGST-QGZVFWFLSA-N 1 2 333.432 0.843 40 0 ECABLO Cc1ccccc1S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257344262 436877601 /nfs/dbraw/zinc/87/76/01/436877601.db2.gz ZWIYPKYKFUUMOU-MRXNPFEDSA-N 1 2 340.445 0.453 40 0 ECABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000257277736 303338650 /nfs/dbraw/zinc/33/86/50/303338650.db2.gz NZDUCJZEYDLLPL-OAHLLOKOSA-N 1 2 346.416 0.391 40 0 ECABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000257277736 303338653 /nfs/dbraw/zinc/33/86/53/303338653.db2.gz NZDUCJZEYDLLPL-OAHLLOKOSA-N 1 2 346.416 0.391 40 0 ECABLO C[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329003915 437300655 /nfs/dbraw/zinc/30/06/55/437300655.db2.gz 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ZINC000585279701 439638755 /nfs/dbraw/zinc/63/87/55/439638755.db2.gz XKWPHNHOCBJDPA-SFHVURJKSA-N 1 2 348.447 0.393 40 0 ECABLO CO[C@]1(CC(=O)N(C)C)COCC[N@H+](Cc2ncccc2F)C1 ZINC000585280092 439638837 /nfs/dbraw/zinc/63/88/37/439638837.db2.gz YJBIGJAQQNMGGE-INIZCTEOSA-N 1 2 325.384 0.916 40 0 ECABLO CO[C@]1(CC(=O)N(C)C)COCC[N@@H+](Cc2ncccc2F)C1 ZINC000585280092 439638840 /nfs/dbraw/zinc/63/88/40/439638840.db2.gz YJBIGJAQQNMGGE-INIZCTEOSA-N 1 2 325.384 0.916 40 0 ECABLO O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000585095955 439627306 /nfs/dbraw/zinc/62/73/06/439627306.db2.gz VDRSRDSZWMANBY-AWEZNQCLSA-N 1 2 326.360 0.396 40 0 ECABLO CC(=O)N[C@H]1CC2(CC[NH+](Cc3cn[nH]c3C)CC2)OC[C@]1(C)O ZINC000257239462 534650494 /nfs/dbraw/zinc/65/04/94/534650494.db2.gz HPIUGIRNOWQSDT-HOTGVXAUSA-N 1 2 336.436 0.729 40 0 ECABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019502005 284022120 /nfs/dbraw/zinc/02/21/20/284022120.db2.gz PUWNMBHSJKJIDM-NUXNZHGMSA-N 1 2 346.383 0.979 40 0 ECABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(-c2cncnc2)n1 ZINC000257206307 244135678 /nfs/dbraw/zinc/13/56/78/244135678.db2.gz BCUNDALFFLQVCC-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257211716 244154551 /nfs/dbraw/zinc/15/45/51/244154551.db2.gz CABSFJNRHNLLOE-JTQLQIEISA-N 1 2 325.394 0.120 40 0 ECABLO C[C@H](CNC(=O)c1ccc(-c2cncnc2)nc1)[NH+]1CCOCC1 ZINC000257217513 244170580 /nfs/dbraw/zinc/17/05/80/244170580.db2.gz CZHRZRHIFXYSSA-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(-c2cncnc2)c1 ZINC000257246169 244257821 /nfs/dbraw/zinc/25/78/21/244257821.db2.gz ISVNPDKHVUJVOZ-CYBMUJFWSA-N 1 2 327.388 0.989 40 0 ECABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)Cn3cccn3)C2)nc[nH+]1 ZINC000257239376 244239780 /nfs/dbraw/zinc/23/97/80/244239780.db2.gz HOZXWUPPKHQIIF-MRXNPFEDSA-N 1 2 330.392 0.129 40 0 ECABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)cc[nH+]1 ZINC000257258459 244291150 /nfs/dbraw/zinc/29/11/50/244291150.db2.gz KTZPRYLWXVSXGV-LBPRGKRZSA-N 1 2 343.387 0.498 40 0 ECABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)Cn3cccn3)C2)nc[nH+]1 ZINC000257260578 244348496 /nfs/dbraw/zinc/34/84/96/244348496.db2.gz LDMHTDOXUUEDDQ-KRWDZBQOSA-N 1 2 344.419 0.471 40 0 ECABLO CN1CC[NH+]([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)C[C@H]2O)CC1 ZINC000257276981 277111038 /nfs/dbraw/zinc/11/10/38/277111038.db2.gz NVYYCFHUSJQRSO-ZIAGYGMSSA-N 1 2 331.407 0.631 40 0 ECABLO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000019497882 436109191 /nfs/dbraw/zinc/10/91/91/436109191.db2.gz PAWSZMTZJCLLQI-LRDDRELGSA-N 1 2 340.445 0.763 40 0 ECABLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000080295932 436316664 /nfs/dbraw/zinc/31/66/64/436316664.db2.gz OXUNFOVGOCFZLW-ZDUSSCGKSA-N 1 2 336.417 0.756 40 0 ECABLO COCC[N@@H+]1C[C@@H]2CN(Cc3[nH+]ccn3C)CCC[C@]2(C(=O)[O-])C1 ZINC000096185172 436520086 /nfs/dbraw/zinc/52/00/86/436520086.db2.gz ZSEWORXKQHSPDX-YOEHRIQHSA-N 1 2 336.436 0.665 40 0 ECABLO 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