smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H](C(N)=O)C1 ZINC000257229499 244206276 /nfs/dbraw/zinc/20/62/76/244206276.db2.gz FYILNHFHCDLZTH-ZDUSSCGKSA-N 1 1 328.376 -0.244 40 0 EBABMO C[N@@H+](C1CCN(C(=O)Cc2ccncc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288405 376523997 /nfs/dbraw/zinc/52/39/97/376523997.db2.gz ZUQWIMTTYKHSIT-NUJGCVRESA-N 1 1 349.431 -0.333 40 0 EBABMO C[N@@H+](C1CCN(C(=O)Cc2cccnc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287870 376524284 /nfs/dbraw/zinc/52/42/84/376524284.db2.gz GJBQXEHCBMMIHP-NUJGCVRESA-N 1 1 349.431 -0.333 40 0 EBABMO Cn1cc(C[N@H+]2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)cn1 ZINC000096040626 376487364 /nfs/dbraw/zinc/48/73/64/376487364.db2.gz UXTFYGHTNRBJNJ-MJBXVCDLSA-N 1 1 328.438 -0.051 40 0 EBABMO Cn1cc(C[N@@H+]2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)cn1 ZINC000096040626 376487374 /nfs/dbraw/zinc/48/73/74/376487374.db2.gz UXTFYGHTNRBJNJ-MJBXVCDLSA-N 1 1 328.438 -0.051 40 0 EBABMO CS(=O)(=O)N1CCO[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096229448 376495290 /nfs/dbraw/zinc/49/52/90/376495290.db2.gz HAHHBAZJZZWWNK-OAHLLOKOSA-N 1 1 341.433 -0.056 40 0 EBABMO CS(=O)(=O)N1CCO[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096229448 376495296 /nfs/dbraw/zinc/49/52/96/376495296.db2.gz HAHHBAZJZZWWNK-OAHLLOKOSA-N 1 1 341.433 -0.056 40 0 EBABMO COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000257294225 379197487 /nfs/dbraw/zinc/19/74/87/379197487.db2.gz QTCSGTTUBASHKV-KBXIAJHMSA-N 1 1 339.392 -0.463 40 0 EBABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3ccnn3C)[C@H]2O)CC1 ZINC000257298357 379199860 /nfs/dbraw/zinc/19/98/60/379199860.db2.gz RLIUJGZSYAXEJP-IIAWOOMASA-N 1 1 349.435 -0.404 40 0 EBABMO Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3cccnc3)C1)OC2 ZINC000306137773 380773834 /nfs/dbraw/zinc/77/38/34/380773834.db2.gz RFXTVLBOWOSGEP-MRXNPFEDSA-N 1 1 329.360 -0.488 40 0 EBABMO Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@@H+](Cc3cccnc3)C1)OC2 ZINC000306137773 380773838 /nfs/dbraw/zinc/77/38/38/380773838.db2.gz RFXTVLBOWOSGEP-MRXNPFEDSA-N 1 1 329.360 -0.488 40 0 EBABMO NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000330545883 155282902 /nfs/dbraw/zinc/28/29/02/155282902.db2.gz ZVYYHTSMFCZETQ-CYBMUJFWSA-N 1 1 333.454 -0.232 40 0 EBABMO CS(=O)(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccco1 ZINC000035323663 418984384 /nfs/dbraw/zinc/98/43/84/418984384.db2.gz VVZAUDAVMGAAMZ-JTQLQIEISA-N 1 1 330.362 -0.441 40 0 EBABMO CNC(=O)[C@@H]1CN(C2CCN(S(C)(=O)=O)CC2)CC[N@@H+](C)C1 ZINC000257228629 419302057 /nfs/dbraw/zinc/30/20/57/419302057.db2.gz FUPVBTBVKPMZFM-LBPRGKRZSA-N 1 1 332.470 -0.980 40 0 EBABMO CNC(=O)[C@H]1CN(C)CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257228629 419302058 /nfs/dbraw/zinc/30/20/58/419302058.db2.gz FUPVBTBVKPMZFM-LBPRGKRZSA-N 1 1 332.470 -0.980 40 0 EBABMO CNC(=O)[C@H]1CN(C)CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257228629 419302060 /nfs/dbraw/zinc/30/20/60/419302060.db2.gz FUPVBTBVKPMZFM-LBPRGKRZSA-N 1 1 332.470 -0.980 40 0 EBABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2scnc2C)C1 ZINC000257336656 419303649 /nfs/dbraw/zinc/30/36/49/419303649.db2.gz YPJYKLXHMRATIB-NSHDSACASA-N 1 1 346.478 -0.109 40 0 EBABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](Cc2scnc2C)C1 ZINC000257336656 419303651 /nfs/dbraw/zinc/30/36/51/419303651.db2.gz YPJYKLXHMRATIB-NSHDSACASA-N 1 1 346.478 -0.109 40 0 EBABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)n1 ZINC000306139808 419409700 /nfs/dbraw/zinc/40/97/00/419409700.db2.gz UBHXPVJFFBLEAJ-QGZVFWFLSA-N 1 1 343.387 -0.180 40 0 EBABMO CNC(=O)[C@@H]1CN(C(=O)CN(C)Cc2cccnc2)CC[N@@H+](C)C1 ZINC000257263149 536398450 /nfs/dbraw/zinc/39/84/50/536398450.db2.gz LOQGRZYLLNZMAH-HNNXBMFYSA-N 1 1 333.436 -0.350 40 0 EBABMO C[N@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](C(N)=O)C1 ZINC000257274324 536407885 /nfs/dbraw/zinc/40/78/85/536407885.db2.gz NKMKTKFWEMPDFF-CYBMUJFWSA-N 1 1 328.376 -0.244 40 0 EBABMO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C3COC3)[C@@H]2O)cc1 ZINC000077265435 202391503 /nfs/dbraw/zinc/39/15/03/202391503.db2.gz LBMDEJOQTNIDJP-KFWWJZLASA-N 1 1 342.417 -0.610 40 0 biogenic,in-vitro EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccccn2)C1 ZINC000257208073 244139962 /nfs/dbraw/zinc/13/99/62/244139962.db2.gz BKPRMSFILOFRBL-CYBMUJFWSA-N 1 1 340.449 -0.137 40 0 EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](Cc2ccccn2)C1 ZINC000257208073 244139970 /nfs/dbraw/zinc/13/99/70/244139970.db2.gz BKPRMSFILOFRBL-CYBMUJFWSA-N 1 1 340.449 -0.137 40 0 EBABMO O=C(CN1CC[NH+](CCO)CC1)N1CCC[C@H](c2ccncn2)C1 ZINC000257241599 244244603 /nfs/dbraw/zinc/24/46/03/244244603.db2.gz HYQOGKAYYYSPON-HNNXBMFYSA-N 1 1 333.436 -0.208 40 0 EBABMO CN(CC(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C1)Cc1cccnc1 ZINC000257248921 244263354 /nfs/dbraw/zinc/26/33/54/244263354.db2.gz JFUVFEHBPPRGBW-SFHVURJKSA-N 1 1 348.447 -0.191 40 0 EBABMO CCS(=O)(=O)N1C[C@H]2C[C@H](C(=O)N3CC[NH+](C)CC3)[C@@H](C1)O2 ZINC000096253273 376499145 /nfs/dbraw/zinc/49/91/45/376499145.db2.gz VZXYNKPXCVEGIS-FRRDWIJNSA-N 1 1 331.438 -0.801 40 0 EBABMO CNC(=O)C[C@]1(O)COCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000585280198 376518842 /nfs/dbraw/zinc/51/88/42/376518842.db2.gz CEKUYVXMLGCMIZ-MRXNPFEDSA-N 1 1 327.425 -0.413 40 0 EBABMO CN(C)C(=O)N1CC[N@H+](Cc2cnn(C)c2)C[C@@]2(CNC(=O)C2)C1 ZINC000097952718 376526397 /nfs/dbraw/zinc/52/63/97/376526397.db2.gz KNYMOWBRKPJJGR-MRXNPFEDSA-N 1 1 334.424 -0.274 40 0 EBABMO CN(C)C(=O)N1CC[N@@H+](Cc2cnn(C)c2)C[C@@]2(CNC(=O)C2)C1 ZINC000097952718 376526410 /nfs/dbraw/zinc/52/64/10/376526410.db2.gz KNYMOWBRKPJJGR-MRXNPFEDSA-N 1 1 334.424 -0.274 40 0 EBABMO O=C(c1cnn2cccnc12)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257284312 379195202 /nfs/dbraw/zinc/19/52/02/379195202.db2.gz PCEHKVYTFFYNAA-INIZCTEOSA-N 1 1 331.376 -0.362 40 0 EBABMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1 ZINC000257280324 379195972 /nfs/dbraw/zinc/19/59/72/379195972.db2.gz OKKKJXJDKKWFPE-VXGBXAGGSA-N 1 1 344.437 -0.483 40 0 EBABMO C[NH+]1CCN([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000257297387 379199628 /nfs/dbraw/zinc/19/96/28/379199628.db2.gz RHADYBZHJZCMAU-HUUCEWRRSA-N 1 1 325.434 -0.332 40 0 EBABMO C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000013783460 287190620 /nfs/dbraw/zinc/19/06/20/287190620.db2.gz QVCMHGGNRFRMAD-KDDSUGKUSA-N 1 1 325.361 -0.393 40 0 endogenous,in-man EBABMO O=C(CCO)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289498 419058297 /nfs/dbraw/zinc/05/82/97/419058297.db2.gz MQRGCMMORFATNP-DLBZAZTESA-N 1 1 345.443 -0.099 40 0 biogenic,in-vitro EBABMO O=C(CCO)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289498 419058300 /nfs/dbraw/zinc/05/83/00/419058300.db2.gz MQRGCMMORFATNP-DLBZAZTESA-N 1 1 345.443 -0.099 40 0 biogenic,in-vitro EBABMO O=S1(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2Oc2ncccc21 ZINC000514289658 280352455 /nfs/dbraw/zinc/35/24/55/280352455.db2.gz NAKBRADJMQUTOO-NEPJUHHUSA-N 1 1 325.390 -0.016 40 0 biogenic,in-vitro EBABMO CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CC[N@H+](C2CCOCC2)C1 ZINC000257202634 536398264 /nfs/dbraw/zinc/39/82/64/536398264.db2.gz AMRSGRDURHRATC-CQSZACIVSA-N 1 1 349.435 -0.281 40 0 EBABMO C[N@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](C(N)=O)C1 ZINC000257274325 536407420 /nfs/dbraw/zinc/40/74/20/536407420.db2.gz NKMKTKFWEMPDFF-ZDUSSCGKSA-N 1 1 328.376 -0.244 40 0 EBABMO Cc1[nH+]cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)n1C ZINC000019287336 202002762 /nfs/dbraw/zinc/00/27/62/202002762.db2.gz IMZRSOSXXCEBMD-UHFFFAOYSA-N 1 1 343.453 -0.577 40 0 EBABMO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]C2COC2)[C@@H]1O)c1ccccc1 ZINC000077265418 202391072 /nfs/dbraw/zinc/39/10/72/202391072.db2.gz VWJRFHRULJICAB-MCIONIFRSA-N 1 1 328.390 -0.918 40 0 biogenic,in-vitro EBABMO C[NH+]1CCN([C@H]2[C@@H](CNC(=O)C3CCCC3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465107 212134428 /nfs/dbraw/zinc/13/44/28/212134428.db2.gz JJLGUPDYCIUQOL-FXUDXRNXSA-N 1 1 341.452 -0.971 40 0 biogenic,in-vitro EBABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)c3cccnc3)[C@H]2O)CC1 ZINC000257225106 244199183 /nfs/dbraw/zinc/19/91/83/244199183.db2.gz FEVKHBARVCGBTJ-BZUAXINKSA-N 1 1 332.404 -0.133 40 0 EBABMO C[C@H]1C(=O)O[C@H]2CC[N@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000059817010 376188684 /nfs/dbraw/zinc/18/86/84/376188684.db2.gz QVCMHGGNRFRMAD-QUEVIFFYSA-N 1 1 325.361 -0.393 40 0 in-man EBABMO CO[C@H]1C[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@H]1CC(=O)N(C)C ZINC000585277142 376516084 /nfs/dbraw/zinc/51/60/84/376516084.db2.gz FYEFOMYWTOJMIN-OCCSQVGLSA-N 1 1 347.481 -0.165 40 0 EBABMO CC[N@@H+](Cc1ccncc1)[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC000257303020 379199436 /nfs/dbraw/zinc/19/94/36/379199436.db2.gz SFLJYLQTLRJYNL-IAGOWNOFSA-N 1 1 348.447 -0.193 40 0 EBABMO NNc1c(Br)cncc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000072210909 419049339 /nfs/dbraw/zinc/04/93/39/419049339.db2.gz CLTJDYUDFPXHBD-UHFFFAOYSA-N 1 1 336.215 -0.276 40 0 EBABMO CN1CCN(n2ccc3nc(N4CC[NH+](C)CC4)ncc3c2=O)CC1 ZINC000009290406 419130534 /nfs/dbraw/zinc/13/05/34/419130534.db2.gz DRZVSHOQGDNUFC-UHFFFAOYSA-N 1 1 343.435 -0.573 40 0 EBABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-n2cccn2)nc1 ZINC000257330730 419304240 /nfs/dbraw/zinc/30/42/40/419304240.db2.gz XPQZPGRCRZBHAD-OLZOCXBDSA-N 1 1 328.376 -0.327 40 0 EBABMO CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C(C)C)C2)C1 ZINC000514288817 277029603 /nfs/dbraw/zinc/02/96/03/277029603.db2.gz FUNAEYIDIQUZMY-LSDHHAIUSA-N 1 1 338.452 -0.747 40 0 biogenic,in-vitro EBABMO CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C(C)C)C2)C1 ZINC000514288817 277029604 /nfs/dbraw/zinc/02/96/04/277029604.db2.gz FUNAEYIDIQUZMY-LSDHHAIUSA-N 1 1 338.452 -0.747 40 0 biogenic,in-vitro EBABMO CC(=O)Nc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)ccn1 ZINC000257250443 534691315 /nfs/dbraw/zinc/69/13/15/534691315.db2.gz JMOCGLSBNOKUGS-IIAWOOMASA-N 1 1 348.403 -0.006 40 0 EBABMO C[N@@H+](CCC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1)Cc1cccnc1 ZINC000257259198 536304328 /nfs/dbraw/zinc/30/43/28/536304328.db2.gz KXHHPQWKGKYZNQ-IAGOWNOFSA-N 1 1 348.447 -0.193 40 0 EBABMO O=C(CCN1CCCC1=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257202478 244123851 /nfs/dbraw/zinc/12/38/51/244123851.db2.gz AMARVGCBIXIHCE-GJZGRUSLSA-N 1 1 339.436 -0.317 40 0 EBABMO C[N@@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C(N)=O)C1 ZINC000257216451 244166336 /nfs/dbraw/zinc/16/63/36/244166336.db2.gz CUOMNKXYUHRSIA-CYBMUJFWSA-N 1 1 325.434 -0.061 40 0 EBABMO C[N@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C(N)=O)C1 ZINC000257216451 244166342 /nfs/dbraw/zinc/16/63/42/244166342.db2.gz CUOMNKXYUHRSIA-CYBMUJFWSA-N 1 1 325.434 -0.061 40 0 EBABMO CN1CCC([N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)CC1 ZINC000257232192 244216818 /nfs/dbraw/zinc/21/68/18/244216818.db2.gz GJTZQSIQUAJBAS-HIFRSBDPSA-N 1 1 340.449 -0.625 40 0 EBABMO CN1CCC([N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)CC1 ZINC000257232192 244216825 /nfs/dbraw/zinc/21/68/25/244216825.db2.gz GJTZQSIQUAJBAS-HIFRSBDPSA-N 1 1 340.449 -0.625 40 0 EBABMO CNc1nc([C@H]2CCN(C(=O)CNC(C)=O)C2)nc2c1CC[N@H+](C)C2 ZINC000257241441 244243599 /nfs/dbraw/zinc/24/35/99/244243599.db2.gz HYAWROVKWSSXSQ-LBPRGKRZSA-N 1 1 346.435 -0.042 40 0 EBABMO CNc1nc([C@H]2CCN(C(=O)CNC(C)=O)C2)nc2c1CC[N@@H+](C)C2 ZINC000257241441 244243602 /nfs/dbraw/zinc/24/36/02/244243602.db2.gz HYAWROVKWSSXSQ-LBPRGKRZSA-N 1 1 346.435 -0.042 40 0 EBABMO CC(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCC(c2cc(CCO)n[nH]2)CC1 ZINC000257252772 244273293 /nfs/dbraw/zinc/27/32/93/244273293.db2.gz JWCJMLDLHCOJDZ-MRXNPFEDSA-N 1 1 349.435 -0.529 40 0 EBABMO COc1ccccc1N1C(=O)C[C@@H](N2CC[NH+](CCO)CC2)C1=O ZINC000101274539 204003669 /nfs/dbraw/zinc/00/36/69/204003669.db2.gz DYTDMOVLTUNTJC-CQSZACIVSA-N 1 1 333.388 -0.063 40 0 EBABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCO[C@@](C)(C(N)=O)C2)CC1 ZINC000585284062 376522865 /nfs/dbraw/zinc/52/28/65/376522865.db2.gz RBFXYACAQBODBB-CQSZACIVSA-N 1 1 329.397 -0.454 40 0 EBABMO Cn1cc(CN2C[C@H]3C[C@H](C(=O)N4CCN(C)CC4)[N@@H+](C)[C@H]3C2)cn1 ZINC000096182576 376493057 /nfs/dbraw/zinc/49/30/57/376493057.db2.gz MYAAJSOBCGUWEB-ZACQAIPSSA-N 1 1 346.479 -0.301 40 0 EBABMO CC(C)n1nccc1NC(=O)C[N@H+](C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291710 376526506 /nfs/dbraw/zinc/52/65/06/376526506.db2.gz SCOGSTXZLDMVCA-JMSVASOKSA-N 1 1 326.397 -0.298 40 0 EBABMO CC(C)n1nccc1NC(=O)C[N@@H+](C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291710 376526520 /nfs/dbraw/zinc/52/65/20/376526520.db2.gz SCOGSTXZLDMVCA-JMSVASOKSA-N 1 1 326.397 -0.298 40 0 EBABMO CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H](NC(=O)C3CC3)[C@H]2O)CC1 ZINC000514289659 419058608 /nfs/dbraw/zinc/05/86/08/419058608.db2.gz XYLNFNWCYJUZJT-SOUVJXGZSA-N 1 1 325.409 -0.805 40 0 biogenic,in-vitro EBABMO CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H](NC(=O)C3CC3)[C@H]2O)CC1 ZINC000514289659 419058611 /nfs/dbraw/zinc/05/86/11/419058611.db2.gz XYLNFNWCYJUZJT-SOUVJXGZSA-N 1 1 325.409 -0.805 40 0 biogenic,in-vitro EBABMO CS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]12 ZINC000306135715 419410037 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40 0 EBABMO Cc1c(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cnn1C ZINC000257200334 244117230 /nfs/dbraw/zinc/11/72/30/244117230.db2.gz ACWZBNDWXKWMDX-WBVHZDCISA-N 1 1 345.403 -0.539 40 0 EBABMO Cc1c(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cnn1C ZINC000257200334 244117238 /nfs/dbraw/zinc/11/72/38/244117238.db2.gz ACWZBNDWXKWMDX-WBVHZDCISA-N 1 1 345.403 -0.539 40 0 EBABMO C[NH+]1CCN([C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]2O)CC1 ZINC000257240852 244240655 /nfs/dbraw/zinc/24/06/55/244240655.db2.gz HVLKISDINAWXJH-HUUCEWRRSA-N 1 1 343.424 -0.193 40 0 EBABMO Cc1ccnc([C@@H]2CN(C(=O)CN3CC[NH+](CCO)CC3)CCO2)n1 ZINC000257250211 244267487 /nfs/dbraw/zinc/26/74/87/244267487.db2.gz JLNZKLBSNCTEKE-HNNXBMFYSA-N 1 1 349.435 -0.705 40 0 EBABMO C[NH+]1CCN([C@@H]2CN(C(=O)Cn3nnc4ccccc43)C[C@H]2O)CC1 ZINC000257259487 244292933 /nfs/dbraw/zinc/29/29/33/244292933.db2.gz KYPXMANYNHIICB-HZPDHXFCSA-N 1 1 344.419 -0.750 40 0 EBABMO Cn1c(=O)cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000100787035 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O=C(Cn1cc(Cl)cn1)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257270816 244377138 /nfs/dbraw/zinc/37/71/38/244377138.db2.gz MVTUSCXBJKDZFI-AWEZNQCLSA-N 1 1 328.800 -0.168 40 0 EBABMO CC(C)S(=O)(=O)NC1=NCN(CCCN2CC[NH+](C)CC2)CN1 ZINC000040387378 376085787 /nfs/dbraw/zinc/08/57/87/376085787.db2.gz KALQURQXMVAVDT-UHFFFAOYSA-N 1 1 346.501 -0.872 40 0 EBABMO CC[N@H+]1CC2(CCN(S(=O)(=O)N(C)C)CC2)[C@@]2(CCNC2=O)C1 ZINC000096243922 376499291 /nfs/dbraw/zinc/49/92/91/376499291.db2.gz ZRCDASXKQAYIJD-HNNXBMFYSA-N 1 1 344.481 -0.283 40 0 EBABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCO[C@](C)(C(=O)NC)C2)CC1 ZINC000585287488 376524573 /nfs/dbraw/zinc/52/45/73/376524573.db2.gz YAWMBDXCAQQWJU-HNNXBMFYSA-N 1 1 343.424 -0.193 40 0 EBABMO C[N@@H+](C1CCN(C(=O)Cc2ccccn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288401 376524793 /nfs/dbraw/zinc/52/47/93/376524793.db2.gz ZQGLGFPZALWFLI-NUJGCVRESA-N 1 1 349.431 -0.333 40 0 EBABMO CC(C)C[N@H+](CC(=O)Nc1cnn(C)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290983 376525772 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-0.243 40 0 EBABMO CCOC(=O)N1CCC(O)(C[N@H+]2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000585283991 376522376 /nfs/dbraw/zinc/52/23/76/376522376.db2.gz QGZCMQJQGFRRHW-STQMWFEESA-N 1 1 341.408 -0.489 40 0 EBABMO C[C@H]1C(=O)O[C@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000054979046 379137518 /nfs/dbraw/zinc/13/75/18/379137518.db2.gz QVCMHGGNRFRMAD-UHHUMBINSA-N 1 1 325.361 -0.393 40 0 biogenic,in-vitro EBABMO O=C(Cn1nc2ccccc2n1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257282046 379195663 /nfs/dbraw/zinc/19/56/63/379195663.db2.gz OSCKYSBNUVFQNA-QGZVFWFLSA-N 1 1 345.403 -0.273 40 0 EBABMO O=C(CN1CC[NH+](CCO)CC1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257309234 379198177 /nfs/dbraw/zinc/19/81/77/379198177.db2.gz UADAOWSHZMBHFB-OAHLLOKOSA-N 1 1 335.452 -0.199 40 0 EBABMO COc1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1OCC(N)=O ZINC000257299527 379199223 /nfs/dbraw/zinc/19/92/23/379199223.db2.gz RQKRNXCQAZMGLW-QWHCGFSZSA-N 1 1 349.387 -0.351 40 0 EBABMO COc1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1OCC(N)=O ZINC000257299527 379199232 /nfs/dbraw/zinc/19/92/32/379199232.db2.gz RQKRNXCQAZMGLW-QWHCGFSZSA-N 1 1 349.387 -0.351 40 0 EBABMO COCCN1C(=O)CO[C@H]2C[N@@H+](C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC000257219710 285005221 /nfs/dbraw/zinc/00/52/21/285005221.db2.gz DHVABNPKVDSDCW-GJZGRUSLSA-N 1 1 325.409 -0.445 40 0 EBABMO O=C(CCO)N1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514288582 419059881 /nfs/dbraw/zinc/05/98/81/419059881.db2.gz CYSFROQVDRJEHW-HZPDHXFCSA-N 1 1 346.431 -0.704 40 0 biogenic,in-vitro EBABMO O=C(CCO)N1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514288582 419059886 /nfs/dbraw/zinc/05/98/86/419059886.db2.gz CYSFROQVDRJEHW-HZPDHXFCSA-N 1 1 346.431 -0.704 40 0 biogenic,in-vitro EBABMO CNc1cc(N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3C)C2)ncn1 ZINC000257320381 419302853 /nfs/dbraw/zinc/30/28/53/419302853.db2.gz VWOKDQQINZAIGA-MRXNPFEDSA-N 1 1 345.407 -0.219 40 0 EBABMO CCc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 ZINC000257326474 419303024 /nfs/dbraw/zinc/30/30/24/419303024.db2.gz WXIXROBMTMAMNF-MRXNPFEDSA-N 1 1 330.392 -0.007 40 0 EBABMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257334618 419303428 /nfs/dbraw/zinc/30/34/28/419303428.db2.gz YGRPHMSRTLRFAJ-MGPQQGTHSA-N 1 1 338.408 -0.148 40 0 EBABMO Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccccn3)C1)OC2 ZINC000306130387 419406476 /nfs/dbraw/zinc/40/64/76/419406476.db2.gz JETKVTURRXXWNB-INIZCTEOSA-N 1 1 329.360 -0.488 40 0 EBABMO Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@@H+](Cc3ccccn3)C1)OC2 ZINC000306130387 419406484 /nfs/dbraw/zinc/40/64/84/419406484.db2.gz JETKVTURRXXWNB-INIZCTEOSA-N 1 1 329.360 -0.488 40 0 EBABMO CCn1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cn1 ZINC000257255400 536027257 /nfs/dbraw/zinc/02/72/57/536027257.db2.gz KHHQXIMJRHYUBP-CQSZACIVSA-N 1 1 349.435 -0.059 40 0 EBABMO COc1ncccc1C(=O)N1CC[C@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257236936 537152456 /nfs/dbraw/zinc/15/24/56/537152456.db2.gz 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/nfs/dbraw/zinc/30/23/90/419302390.db2.gz LOTCGUBYLUQRDR-CYBMUJFWSA-N 1 1 346.497 -0.638 40 0 EBABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257263175 419302393 /nfs/dbraw/zinc/30/23/93/419302393.db2.gz LOTCGUBYLUQRDR-CYBMUJFWSA-N 1 1 346.497 -0.638 40 0 EBABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257263175 419302395 /nfs/dbraw/zinc/30/23/95/419302395.db2.gz LOTCGUBYLUQRDR-CYBMUJFWSA-N 1 1 346.497 -0.638 40 0 EBABMO Cc1cc(C)n(CC(=O)N2CC[C@](O)(CN3CC[NH+](C)CC3)C2)n1 ZINC000257340922 419304194 /nfs/dbraw/zinc/30/41/94/419304194.db2.gz ZICXJGXPBFTZMY-KRWDZBQOSA-N 1 1 335.452 -0.289 40 0 EBABMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1 ZINC000108529144 282295866 /nfs/dbraw/zinc/29/58/66/282295866.db2.gz WBIMGYBSVAKTCH-KBPBESRZSA-N 1 1 328.438 -0.037 40 0 EBABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1 ZINC000108529144 282295869 /nfs/dbraw/zinc/29/58/69/282295869.db2.gz WBIMGYBSVAKTCH-KBPBESRZSA-N 1 1 328.438 -0.037 40 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379195294 /nfs/dbraw/zinc/19/52/94/379195294.db2.gz PCEHKVYTFFYNAA-MRXNPFEDSA-N 1 1 331.376 -0.362 40 0 EBABMO C[NH+]1CCN([C@@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2O)CC1 ZINC000257268142 419302813 /nfs/dbraw/zinc/30/28/13/419302813.db2.gz MKKKZVXYZRDPBX-VXGBXAGGSA-N 1 1 331.463 -0.271 40 0 EBABMO CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCOCC2)C1 ZINC000096188521 278094187 /nfs/dbraw/zinc/09/41/87/278094187.db2.gz BGQGTPNYTJRMLK-CQSZACIVSA-N 1 1 335.408 -0.690 40 0 EBABMO O=C(CN1CCCCCC1=O)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257344816 303606750 /nfs/dbraw/zinc/60/67/50/303606750.db2.gz ZYTWKCCXMGOQAZ-QGZVFWFLSA-N 1 1 339.436 -0.315 40 0 EBABMO COc1cc(CCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)on1 ZINC000257201950 244122382 /nfs/dbraw/zinc/12/23/82/244122382.db2.gz AJTUBVMTNANSNV-XJKCOSOUSA-N 1 1 339.392 -0.044 40 0 EBABMO C[NH+]1CCN(C[C@]2(O)CCN(S(=O)(=O)C3CCCC3)C2)CC1 ZINC000257233663 244219425 /nfs/dbraw/zinc/21/94/25/244219425.db2.gz GQDYXRRDJHGQJB-OAHLLOKOSA-N 1 1 331.482 -0.057 40 0 EBABMO C[N@H+]1CCN(C(=O)CCn2nnc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257239589 244239541 /nfs/dbraw/zinc/23/95/41/244239541.db2.gz HPZYWUVFFZQKSA-GFCCVEGCSA-N 1 1 330.392 -0.303 40 0 EBABMO NC(=O)[C@@H]1CN(C(=O)c2cncnc2)CC[N@H+](C2CCOCC2)C1 ZINC000257241902 244243697 /nfs/dbraw/zinc/24/36/97/244243697.db2.gz IADZHKWUWQRDFY-ZDUSSCGKSA-N 1 1 333.392 -0.485 40 0 EBABMO Cc1nn(C)cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257251773 244271122 /nfs/dbraw/zinc/27/11/22/244271122.db2.gz JSDDOMAXUGYIRF-ZDUSSCGKSA-N 1 1 349.435 -0.233 40 0 EBABMO COc1cccc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnc[nH]3)C2)c1 ZINC000257265571 244360740 /nfs/dbraw/zinc/36/07/40/244360740.db2.gz LZFUUNLNRFXOHW-WBVHZDCISA-N 1 1 346.387 -0.244 40 0 EBABMO CNC(=O)C[C@]1(O)COCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000585280527 376521294 /nfs/dbraw/zinc/52/12/94/376521294.db2.gz JVFXLUCGHZJTFI-QGZVFWFLSA-N 1 1 338.404 -0.243 40 0 EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCCC2)C1 ZINC000585282213 376522720 /nfs/dbraw/zinc/52/27/20/376522720.db2.gz BSKWRIICZQTJKU-CYBMUJFWSA-N 1 1 347.481 -0.427 40 0 EBABMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000000139309 379763512 /nfs/dbraw/zinc/76/35/12/379763512.db2.gz ZVLMCQUITDHGQF-UHFFFAOYSA-N 1 1 340.405 -0.530 40 0 EBABMO COCCNC(=O)N[C@H]1CO[C@@H](C[N@H+]2CCC[C@@H]2COC)[C@@H]1O ZINC000514289021 419058372 /nfs/dbraw/zinc/05/83/72/419058372.db2.gz OBEWYOHLCZNRSA-ZOBORPQBSA-N 1 1 331.413 -0.829 40 0 biogenic,in-vitro EBABMO C[NH+]1CCN(C[C@]2(O)CCN(S(=O)(=O)c3cccnc3)C2)CC1 ZINC000257319462 419303001 /nfs/dbraw/zinc/30/30/01/419303001.db2.gz VSQUHDWLKCPXPN-OAHLLOKOSA-N 1 1 340.449 -0.546 40 0 EBABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H]2O)CC1 ZINC000257330923 419303510 /nfs/dbraw/zinc/30/35/10/419303510.db2.gz XQPOFQHLDRZLRJ-JFIYKMOQSA-N 1 1 346.431 -0.204 40 0 EBABMO O=C(CN1CC[NH+](CCO)CC1)N1CCC(c2cnccn2)CC1 ZINC000257334803 419303834 /nfs/dbraw/zinc/30/38/34/419303834.db2.gz YHKZBHKFFUCMIW-UHFFFAOYSA-N 1 1 333.436 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EBABMO CCn1cc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC000257297260 379197934 /nfs/dbraw/zinc/19/79/34/379197934.db2.gz RGNKKPYTKUNAMQ-KRWDZBQOSA-N 1 1 349.435 -0.356 40 0 EBABMO Cc1cccc(C[N@@H+]2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)n1 ZINC000257293886 379198921 /nfs/dbraw/zinc/19/89/21/379198921.db2.gz QRPOAWSMPBJUJK-LBPRGKRZSA-N 1 1 326.422 -0.431 40 0 EBABMO Cc1cccc(C[N@H+]2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)n1 ZINC000257293886 379198928 /nfs/dbraw/zinc/19/89/28/379198928.db2.gz QRPOAWSMPBJUJK-LBPRGKRZSA-N 1 1 326.422 -0.431 40 0 EBABMO CCn1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC000257297261 379198947 /nfs/dbraw/zinc/19/89/47/379198947.db2.gz RGNKKPYTKUNAMQ-QGZVFWFLSA-N 1 1 349.435 -0.356 40 0 EBABMO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2OC)[C@@H]1O ZINC000096533302 379545680 /nfs/dbraw/zinc/54/56/80/379545680.db2.gz TYNPPJNNDWJULG-OVYGPGRDSA-N 1 1 338.404 -0.126 40 0 biogenic,in-vitro EBABMO CCN(CC)C(=O)C[N@H+]1CC[C@@]2(NC(C)=O)CN(C(C)=O)C[C@H]2C1 ZINC000019713042 381198152 /nfs/dbraw/zinc/19/81/52/381198152.db2.gz SDPZAQWQDKGKAS-NVXWUHKLSA-N 1 1 338.452 -0.086 40 0 EBABMO C[N@H+]1CCN(C(=O)Cn2c3ccccc3oc2=O)C[C@@H](C(N)=O)C1 ZINC000257325128 419302018 /nfs/dbraw/zinc/30/20/18/419302018.db2.gz WROUENQJAJUMIL-NSHDSACASA-N 1 1 332.360 -0.530 40 0 EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](C2CCOCC2)C1 ZINC000257210900 419302084 /nfs/dbraw/zinc/30/20/84/419302084.db2.gz BWPWYOQUHIECRR-GFCCVEGCSA-N 1 1 333.454 -0.553 40 0 EBABMO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnccn3)C2)cn1 ZINC000257323399 419302655 /nfs/dbraw/zinc/30/26/55/419302655.db2.gz WJZGJYIOIDQGCB-WBVHZDCISA-N 1 1 343.387 -0.482 40 0 EBABMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnccn3)C2)cn1 ZINC000257323399 419302658 /nfs/dbraw/zinc/30/26/58/419302658.db2.gz WJZGJYIOIDQGCB-WBVHZDCISA-N 1 1 343.387 -0.482 40 0 EBABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCn1nnc2ccccc21 ZINC000257327012 419302871 /nfs/dbraw/zinc/30/28/71/419302871.db2.gz 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CC(=O)NCc1c[nH]c([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257224004 244195932 /nfs/dbraw/zinc/19/59/32/244195932.db2.gz DZWVYWODTVONHI-AWEZNQCLSA-N 1 1 338.408 -0.039 40 0 EBABMO CC(=O)NCc1c[nH]c([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257224004 244195938 /nfs/dbraw/zinc/19/59/38/244195938.db2.gz DZWVYWODTVONHI-AWEZNQCLSA-N 1 1 338.408 -0.039 40 0 EBABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)Cn3cc(C)cn3)[C@H]2O)CC1 ZINC000257253526 244276517 /nfs/dbraw/zinc/27/65/17/244276517.db2.gz JZHAUJVSPSFRQY-BFYDXBDKSA-N 1 1 349.435 -0.636 40 0 EBABMO CNC(=O)C[C@]1(COC)CN(C(=O)CCn2cc[nH+]c2C)CCO1 ZINC000585278472 376514699 /nfs/dbraw/zinc/51/46/99/376514699.db2.gz SWBJINXXSHREJA-MRXNPFEDSA-N 1 1 338.408 -0.038 40 0 EBABMO C[N@H+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C(N)=O)C1 ZINC000257291561 379195984 /nfs/dbraw/zinc/19/59/84/379195984.db2.gz QHNPLQQFSIUGJW-SNVBAGLBSA-N 1 1 329.360 -0.588 40 0 EBABMO COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C(C)=O)nn1 ZINC000008299747 419017703 /nfs/dbraw/zinc/01/77/03/419017703.db2.gz JPWNPEZKASPHJF-MCIONIFRSA-N 1 1 335.408 -0.046 40 0 biogenic,in-vitro EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2cccnc2)C1 ZINC000257223074 419302219 /nfs/dbraw/zinc/30/22/19/419302219.db2.gz DVUBGDUYGICLKQ-CQSZACIVSA-N 1 1 340.449 -0.137 40 0 EBABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](Cc2cccnc2)C1 ZINC000257223074 419302221 /nfs/dbraw/zinc/30/22/21/419302221.db2.gz DVUBGDUYGICLKQ-CQSZACIVSA-N 1 1 340.449 -0.137 40 0 EBABMO CNC(=O)[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)CC[N@@H+](C)C1 ZINC000257207649 536398788 /nfs/dbraw/zinc/39/87/88/536398788.db2.gz BIPYBVFFQIFVJX-LBPRGKRZSA-N 1 1 346.387 -0.269 40 0 EBABMO O=C([C@@H]1CC(c2cnc(N3CCOCC3)nc2)=[NH+]O1)N1CCOCC1 ZINC000226081490 242089972 /nfs/dbraw/zinc/08/99/72/242089972.db2.gz IFJABGQKAPLWNI-AWEZNQCLSA-N 1 1 347.375 -0.335 40 0 EBABMO CN(CC(=O)N1C[C@@H](O)[C@H](N2CC[NH+](C)CC2)C1)Cc1cccnc1 ZINC000257211163 244150516 /nfs/dbraw/zinc/15/05/16/244150516.db2.gz BXSXJCOIJRULBD-IAGOWNOFSA-N 1 1 347.463 -0.668 40 0 EBABMO C[N@@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C(N)=O)C1 ZINC000257216452 244167962 /nfs/dbraw/zinc/16/79/62/244167962.db2.gz CUOMNKXYUHRSIA-ZDUSSCGKSA-N 1 1 325.434 -0.061 40 0 EBABMO C[N@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C(N)=O)C1 ZINC000257216452 244167966 /nfs/dbraw/zinc/16/79/66/244167966.db2.gz CUOMNKXYUHRSIA-ZDUSSCGKSA-N 1 1 325.434 -0.061 40 0 EBABMO COC(C)(C)C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257237818 244236192 /nfs/dbraw/zinc/23/61/92/244236192.db2.gz HIHGVWXHGKPEKH-RBSFLKMASA-N 1 1 341.452 -0.026 40 0 EBABMO O=C(NC[C@]1(O)C[N@H+](Cc2cccs2)C[C@H]1O)c1cnccn1 ZINC000257250123 244267829 /nfs/dbraw/zinc/26/78/29/244267829.db2.gz JLCZTXZFPCSMRV-HIFRSBDPSA-N 1 1 334.401 -0.124 40 0 EBABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000020112717 212103242 /nfs/dbraw/zinc/10/32/42/212103242.db2.gz LNPAGQLECGLRBA-ZDUSSCGKSA-N 1 1 332.470 -0.331 40 0 EBABMO CC(=O)N1CCC([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257258492 244290478 /nfs/dbraw/zinc/29/04/78/244290478.db2.gz KUFYSHOLHLBWTK-TZMCWYRMSA-N 1 1 338.433 -0.071 40 0 EBABMO Cn1cncc1CN1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585291161 376524161 /nfs/dbraw/zinc/52/41/61/376524161.db2.gz MBAVKVFZSYHBLU-ZACQAIPSSA-N 1 1 338.452 -0.316 40 0 EBABMO Cn1cncc1CN1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585291161 376524163 /nfs/dbraw/zinc/52/41/63/376524163.db2.gz MBAVKVFZSYHBLU-ZACQAIPSSA-N 1 1 338.452 -0.316 40 0 EBABMO CCc1[nH+]ccn1CC(=O)N1CCO[C@](COC)(CC(=O)NC)C1 ZINC000585276651 376515900 /nfs/dbraw/zinc/51/59/00/376515900.db2.gz GYRUMWHERQRHAH-MRXNPFEDSA-N 1 1 338.408 -0.174 40 0 EBABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC000585284668 376522092 /nfs/dbraw/zinc/52/20/92/376522092.db2.gz UWDUIBSXUHFAHO-HKUYNNGSSA-N 1 1 347.459 -0.199 40 0 EBABMO CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CC[N@H+](C2CCOCC2)C1 ZINC000257282500 379195902 /nfs/dbraw/zinc/19/59/02/379195902.db2.gz OTYUTFYUOUQHNM-ZDUSSCGKSA-N 1 1 349.435 -0.281 40 0 EBABMO C[C@@]1(C(=O)N2CCOCC2)C[N@@H+](CC2(O)CCOCC2)CCO1 ZINC000257297571 379199514 /nfs/dbraw/zinc/19/95/14/379199514.db2.gz RHWDGSXFPJDMNZ-HNNXBMFYSA-N 1 1 328.409 -0.522 40 0 EBABMO COCCN1C(=O)CO[C@H]2C[N@@H+](C3CCN(C(C)=O)CC3)C[C@H]21 ZINC000067897306 285005197 /nfs/dbraw/zinc/00/51/97/285005197.db2.gz DHVABNPKVDSDCW-CABCVRRESA-N 1 1 325.409 -0.445 40 0 biogenic,in-vitro EBABMO COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514288885 419059750 /nfs/dbraw/zinc/05/97/50/419059750.db2.gz JDFNXAOJMVQLGW-FXUDXRNXSA-N 1 1 342.436 -0.232 40 0 biogenic,in-vitro EBABMO C[C@@]12CCN(C(=O)CN3CC[NH+](CCO)CC3)[C@@H]1CC[C@@H](O)C2 ZINC000257316455 419302818 /nfs/dbraw/zinc/30/28/18/419302818.db2.gz VFQQWSAXRYDGRW-INMHGKMJSA-N 1 1 325.453 -0.252 40 0 EBABMO C[N@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H](C(N)=O)C1 ZINC000257235807 244230026 /nfs/dbraw/zinc/23/00/26/244230026.db2.gz GZOVLYLOQMJQHI-CYBMUJFWSA-N 1 1 328.376 -0.244 40 0 EBABMO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](N3CC[NH+](C)CC3)C2)cnn1C ZINC000257248071 244263877 /nfs/dbraw/zinc/26/38/77/244263877.db2.gz JBYDPNFNYPERQG-HZPDHXFCSA-N 1 1 335.452 -0.520 40 0 EBABMO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104509 376361087 /nfs/dbraw/zinc/36/10/87/376361087.db2.gz PIEWCQYAIMGFCX-ZIAGYGMSSA-N 1 1 349.435 -0.107 40 0 EBABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCO[C@](C)(C(N)=O)C2)CC1 ZINC000585284060 376521723 /nfs/dbraw/zinc/52/17/23/376521723.db2.gz RBFXYACAQBODBB-AWEZNQCLSA-N 1 1 329.397 -0.454 40 0 EBABMO CCS(=O)(=O)N1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585290512 376524716 /nfs/dbraw/zinc/52/47/16/376524716.db2.gz DYCRMDFGNPIPAD-MCIONIFRSA-N 1 1 336.454 -0.900 40 0 EBABMO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H](C(N)=O)C1 ZINC000257312286 379202333 /nfs/dbraw/zinc/20/23/33/379202333.db2.gz UNFCJPKTOBHTSR-AWEZNQCLSA-N 1 1 346.435 -0.158 40 0 EBABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H](C(N)=O)C1 ZINC000257312286 379202343 /nfs/dbraw/zinc/20/23/43/379202343.db2.gz UNFCJPKTOBHTSR-AWEZNQCLSA-N 1 1 346.435 -0.158 40 0 EBABMO COC(C)(C)C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257213448 379193165 /nfs/dbraw/zinc/19/31/65/379193165.db2.gz CHQSOFBSLNGLJK-RBSFLKMASA-N 1 1 341.452 -0.074 40 0 EBABMO CNC(=O)[C@H]1CN(C(=O)CCn2nnc3ccccc32)CC[N@@H+](C)C1 ZINC000257319393 419302293 /nfs/dbraw/zinc/30/22/93/419302293.db2.gz VSFVCJRBDWZPNR-CYBMUJFWSA-N 1 1 344.419 -0.042 40 0 EBABMO CCS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]12 ZINC000306130592 419409794 /nfs/dbraw/zinc/40/97/94/419409794.db2.gz JKOBCZBLZOXXSF-BFHYXJOUSA-N 1 1 328.438 -0.194 40 0 EBABMO CCS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]12 ZINC000306130592 419409804 /nfs/dbraw/zinc/40/98/04/419409804.db2.gz JKOBCZBLZOXXSF-BFHYXJOUSA-N 1 1 328.438 -0.194 40 0 EBABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CNS(C)(=O)=O ZINC000257337168 295392670 /nfs/dbraw/zinc/39/26/70/295392670.db2.gz YRSLRAFMRHWBQB-LBPRGKRZSA-N 1 1 327.406 -0.283 40 0 EBABMO CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000257207328 536398685 /nfs/dbraw/zinc/39/86/85/536398685.db2.gz BHGQHWKQSUFDID-LBPRGKRZSA-N 1 1 341.433 -0.007 40 0 EBABMO CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)CC[N@@H+](C)C1 ZINC000257207328 536398688 /nfs/dbraw/zinc/39/86/88/536398688.db2.gz BHGQHWKQSUFDID-LBPRGKRZSA-N 1 1 341.433 -0.007 40 0 EBABMO CNC(=O)[C@H]1CN(C(=O)CN2CCN(C(C)C)CC2)CC[N@H+](C)C1 ZINC000257204475 244131169 /nfs/dbraw/zinc/13/11/69/244131169.db2.gz AUTQCBZIHWWEAC-OAHLLOKOSA-N 1 1 339.484 -0.851 40 0 EBABMO CNC(=O)[C@H]1CN(C(=O)CN2CCN(C(C)C)CC2)CC[N@@H+](C)C1 ZINC000257204475 244131172 /nfs/dbraw/zinc/13/11/72/244131172.db2.gz AUTQCBZIHWWEAC-OAHLLOKOSA-N 1 1 339.484 -0.851 40 0 EBABMO COc1ccc(C[N@H+](C)[C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2O)cc1 ZINC000257205461 244134090 /nfs/dbraw/zinc/13/40/90/244134090.db2.gz AZDZTIDEDPLXHV-HUUCEWRRSA-N 1 1 343.449 -0.022 40 0 EBABMO COc1ccc(C[N@@H+](C)[C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2O)cc1 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IOZVGPIUMZXGPQ-UHFFFAOYSA-N 1 1 338.433 -0.419 40 0 EBABMO CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CC[N@H+](C2CCOCC2)C1 ZINC000257253158 536396843 /nfs/dbraw/zinc/39/68/43/536396843.db2.gz JXUHYBVDDKRQSQ-CQSZACIVSA-N 1 1 349.435 -0.432 40 0 EBABMO C[C@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000052969724 214157121 /nfs/dbraw/zinc/15/71/21/214157121.db2.gz QVCMHGGNRFRMAD-CUFCCSJMSA-N 1 1 325.361 -0.393 40 0 in-man EBABMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257214074 244161646 /nfs/dbraw/zinc/16/16/46/244161646.db2.gz CKKWSWPJMKDEHB-MRXNPFEDSA-N 1 1 347.463 -0.224 40 0 EBABMO C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H](C(N)=O)C1 ZINC000257229498 244207272 /nfs/dbraw/zinc/20/72/72/244207272.db2.gz FYILNHFHCDLZTH-CYBMUJFWSA-N 1 1 328.376 -0.244 40 0 EBABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cncnc3)[C@H]2O)CC1 ZINC000257242148 244248357 /nfs/dbraw/zinc/24/83/57/244248357.db2.gz IBHOHWNZDLBPFF-BZUAXINKSA-N 1 1 347.419 -0.395 40 0 EBABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cncnc3)CC[C@@H]2O)CC1 ZINC000257274332 244389544 /nfs/dbraw/zinc/38/95/44/244389544.db2.gz NKNCWJAGZOANCU-HOTGVXAUSA-N 1 1 347.419 -0.394 40 0 EBABMO CO[C@H]1C[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@@H]1CC(=O)N(C)C ZINC000585277126 376516940 /nfs/dbraw/zinc/51/69/40/376516940.db2.gz FYEFOMYWTOJMIN-JSGCOSHPSA-N 1 1 347.481 -0.165 40 0 EBABMO CS(=O)(=O)NCc1cc(=O)n2c(n1)C[N@H+](CC1CC1)CCC2 ZINC000096197618 376491876 /nfs/dbraw/zinc/49/18/76/376491876.db2.gz XKZLYHKKNXIZSG-UHFFFAOYSA-N 1 1 326.422 -0.092 40 0 EBABMO C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000253634967 296263800 /nfs/dbraw/zinc/26/38/00/296263800.db2.gz QVCMHGGNRFRMAD-DXUMZHCMSA-N 1 1 325.361 -0.393 40 0 endogenous,in-man EBABMO CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CC[N@H+](C2CCOCC2)C1 ZINC000257282499 379194812 /nfs/dbraw/zinc/19/48/12/379194812.db2.gz OTYUTFYUOUQHNM-CYBMUJFWSA-N 1 1 349.435 -0.281 40 0 EBABMO Cc1cc([C@@H]2CN(C(=O)CN3CC[NH+](CCO)CC3)CCO2)ccn1 ZINC000257281096 379195640 /nfs/dbraw/zinc/19/56/40/379195640.db2.gz ONPBKWCHWYBJIL-KRWDZBQOSA-N 1 1 348.447 -0.100 40 0 EBABMO C[NH+]1CCN([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2O)CC1 ZINC000257302724 379197750 /nfs/dbraw/zinc/19/77/50/379197750.db2.gz SEBFGHKMSVTUPT-ZIAGYGMSSA-N 1 1 333.388 -0.152 40 0 EBABMO O=C(Cn1nnc2ccccc21)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257307140 379199196 /nfs/dbraw/zinc/19/91/96/379199196.db2.gz SXJATQJNXGXLAH-QGZVFWFLSA-N 1 1 345.403 -0.273 40 0 EBABMO CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H](NC(=O)NC(C)C)[C@H]2O)CC1 ZINC000514289609 419059626 /nfs/dbraw/zinc/05/96/26/419059626.db2.gz WOYNVQPUOSYBSB-SOUVJXGZSA-N 1 1 342.440 -0.624 40 0 biogenic,in-vitro EBABMO CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H](NC(=O)NC(C)C)[C@H]2O)CC1 ZINC000514289609 419059630 /nfs/dbraw/zinc/05/96/30/419059630.db2.gz WOYNVQPUOSYBSB-SOUVJXGZSA-N 1 1 342.440 -0.624 40 0 biogenic,in-vitro EBABMO CN1CCC([N@H+]2CC[C@@](O)(CNC(=O)c3cnccn3)[C@H](O)C2)CC1 ZINC000257329930 419303541 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CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CC[N@H+](C2CCOCC2)C1 ZINC000257202633 244123095 /nfs/dbraw/zinc/12/30/95/244123095.db2.gz AMRSGRDURHRATC-AWEZNQCLSA-N 1 1 349.435 -0.281 40 0 EBABMO NC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[N@H+](C2CCOCC2)C1 ZINC000257208554 244143688 /nfs/dbraw/zinc/14/36/88/244143688.db2.gz BMQHQUVLZMWHGO-ZDUSSCGKSA-N 1 1 348.403 -0.175 40 0 EBABMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cn1 ZINC000257220942 244185759 /nfs/dbraw/zinc/18/57/59/244185759.db2.gz DMXGSRNSRRHQCE-ZBFHGGJFSA-N 1 1 331.376 -0.847 40 0 EBABMO Cn1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cn1 ZINC000257220942 244185767 /nfs/dbraw/zinc/18/57/67/244185767.db2.gz DMXGSRNSRRHQCE-ZBFHGGJFSA-N 1 1 331.376 -0.847 40 0 EBABMO Cc1nn(C)cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257251772 244271572 /nfs/dbraw/zinc/27/15/72/244271572.db2.gz JSDDOMAXUGYIRF-CYBMUJFWSA-N 1 1 349.435 -0.233 40 0 EBABMO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096218753 376496184 /nfs/dbraw/zinc/49/61/84/376496184.db2.gz BISVCFNRSSYQNH-KGLIPLIRSA-N 1 1 328.438 -0.192 40 0 EBABMO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096218753 376496193 /nfs/dbraw/zinc/49/61/93/376496193.db2.gz BISVCFNRSSYQNH-KGLIPLIRSA-N 1 1 328.438 -0.192 40 0 EBABMO CO[C@@H]1COC[C@@H](N(C)C(=O)C2CC[NH+](CCN(C)C)CC2)[C@@H]1O ZINC000585287046 376521577 /nfs/dbraw/zinc/52/15/77/376521577.db2.gz RIXKBMUYANLRNU-OAGGEKHMSA-N 1 1 343.468 -0.507 40 0 EBABMO CS(=O)(=O)NCc1cnc2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096197030 376492660 /nfs/dbraw/zinc/49/26/60/376492660.db2.gz NVEURNZTUDPEQK-GFCCVEGCSA-N 1 1 328.438 -0.173 40 0 EBABMO C[N@@H+](CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585292000 376527864 /nfs/dbraw/zinc/52/78/64/376527864.db2.gz WMJKKHROYCTUBE-ZBFHGGJFSA-N 1 1 342.823 -0.259 40 0 EBABMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCCCO)cc2)C[C@H]1O ZINC000257203547 377042071 /nfs/dbraw/zinc/04/20/71/377042071.db2.gz AQNWKMVGLIFWSN-HZPDHXFCSA-N 1 1 338.404 -0.245 40 0 EBABMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCCCO)cc2)C[C@H]1O ZINC000257203547 377042085 /nfs/dbraw/zinc/04/20/85/377042085.db2.gz AQNWKMVGLIFWSN-HZPDHXFCSA-N 1 1 338.404 -0.245 40 0 EBABMO C[C@@H]1C(=O)O[C@H]2CC[N@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000059817005 296263826 /nfs/dbraw/zinc/26/38/26/296263826.db2.gz QVCMHGGNRFRMAD-SPGXYJMSSA-N 1 1 325.361 -0.393 40 0 in-man EBABMO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O)N1CCOCC1 ZINC000077264999 381192345 /nfs/dbraw/zinc/19/23/45/381192345.db2.gz URIIFGHOIWRMFB-KFWWJZLASA-N 1 1 336.392 -0.659 40 0 biogenic,in-vitro EBABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN(C)CC[NH+](C)C ZINC000022926899 292180592 /nfs/dbraw/zinc/18/05/92/292180592.db2.gz ZZBTUEGILXPFFI-HRCADAONSA-N 1 1 326.485 -0.047 40 0 biogenic,in-vitro EBABMO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+](C)CCN(C)C ZINC000022926899 292180595 /nfs/dbraw/zinc/18/05/95/292180595.db2.gz ZZBTUEGILXPFFI-HRCADAONSA-N 1 1 326.485 -0.047 40 0 biogenic,in-vitro EBABMO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+](C)CCN(C)C ZINC000022926899 292180599 /nfs/dbraw/zinc/18/05/99/292180599.db2.gz ZZBTUEGILXPFFI-HRCADAONSA-N 1 1 326.485 -0.047 40 0 biogenic,in-vitro EBABMO CCCS(=O)(=O)N[C@H]1CO[C@@H](C[N@H+]2CCC[C@@H]2COC)[C@@H]1O ZINC000514289107 419059210 /nfs/dbraw/zinc/05/92/10/419059210.db2.gz SZFXXKIJCOCPFM-ZOBORPQBSA-N 1 1 336.454 -0.445 40 0 biogenic,in-vitro EBABMO O=C(c1ccc(=O)[nH]n1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257340723 419303377 /nfs/dbraw/zinc/30/33/77/419303377.db2.gz ZHHIHHCHTVJXSF-GHMZBOCLSA-N 1 1 328.319 -0.314 40 0 EBABMO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257335427 419303947 /nfs/dbraw/zinc/30/39/47/419303947.db2.gz YKCNMLKTOPMOCR-BFYDXBDKSA-N 1 1 336.436 -0.080 40 0 EBABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc2nc(C)cc(C)n2n1 ZINC000257343407 277245500 /nfs/dbraw/zinc/24/55/00/277245500.db2.gz ZSWOFDKPUVKYBF-YPMHNXCESA-N 1 1 330.392 -0.248 40 0 EBABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccncc2)C1 ZINC000257234379 536400338 /nfs/dbraw/zinc/40/03/38/536400338.db2.gz GTGLSCDKOSYRCH-ZDUSSCGKSA-N 1 1 326.422 -0.479 40 0 EBABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](Cc2ccncc2)C1 ZINC000257234379 536400340 /nfs/dbraw/zinc/40/03/40/536400340.db2.gz GTGLSCDKOSYRCH-ZDUSSCGKSA-N 1 1 326.422 -0.479 40 0 EBABMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)[N@H+]1C ZINC000022922500 212334327 /nfs/dbraw/zinc/33/43/27/212334327.db2.gz MULIAZPZYCEFIP-ZOWXZIJZSA-N 1 1 335.408 -0.264 40 0 biogenic,in-vitro EBABMO CC(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCC(c2cncn2CCO)CC1 ZINC000257221239 244184184 /nfs/dbraw/zinc/18/41/84/244184184.db2.gz DOBUDVPHVMJYBA-INIZCTEOSA-N 1 1 349.435 -0.598 40 0 EBABMO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@H+]2CC(=O)N2CCOCC2)C1 ZINC000257254821 244278123 /nfs/dbraw/zinc/27/81/23/244278123.db2.gz KEVATHAYKAEUNW-YQQAZPJKSA-N 1 1 339.436 -0.461 40 0 EBABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019576028 376004544 /nfs/dbraw/zinc/00/45/44/376004544.db2.gz QRASVOAJWGNSAA-NUEKZKHPSA-N 1 1 333.436 -0.048 40 0 EBABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1S(C)(=O)=O ZINC000096063712 376487538 /nfs/dbraw/zinc/48/75/38/376487538.db2.gz SOMLKMSUURKKIY-MCIONIFRSA-N 1 1 338.433 -0.338 40 0 EBABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1S(C)(=O)=O ZINC000096063712 376487545 /nfs/dbraw/zinc/48/75/45/376487545.db2.gz SOMLKMSUURKKIY-MCIONIFRSA-N 1 1 338.433 -0.338 40 0 EBABMO CS(=O)(=O)NCc1cnc2n1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096197029 376493335 /nfs/dbraw/zinc/49/33/35/376493335.db2.gz NVEURNZTUDPEQK-LBPRGKRZSA-N 1 1 328.438 -0.173 40 0 EBABMO CC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC(=O)N(C)C1 ZINC000096113236 379530519 /nfs/dbraw/zinc/53/05/19/379530519.db2.gz KJSUPATVGPSLPQ-HUUCEWRRSA-N 1 1 338.452 -0.086 40 0 biogenic,in-vitro EBABMO COCCN1C(=O)CO[C@H]2CC[N@H+](CC(=O)N3CCCC3)CC[C@@H]21 ZINC000257310211 419302790 /nfs/dbraw/zinc/30/27/90/419302790.db2.gz UEDXAOFRSRFQRR-GJZGRUSLSA-N 1 1 339.436 -0.053 40 0 EBABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000257330002 419303459 /nfs/dbraw/zinc/30/34/59/419303459.db2.gz XMJALVPIASGODN-ZDUSSCGKSA-N 1 1 347.481 -0.379 40 0 EBABMO Cc1c(CCC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)cnn1C ZINC000257328395 419304124 /nfs/dbraw/zinc/30/41/24/419304124.db2.gz XFKUBSDQGWXHRK-QGZVFWFLSA-N 1 1 336.436 -0.043 40 0 EBABMO CNC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)nc(C)n2CCO ZINC000257240473 536369180 /nfs/dbraw/zinc/36/91/80/536369180.db2.gz HTRDHVWVQVGHFG-HNNXBMFYSA-N 1 1 345.403 -0.503 40 0 EBABMO CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CC[N@H+](C2CCOCC2)C1 ZINC000257243416 536397849 /nfs/dbraw/zinc/39/78/49/536397849.db2.gz IGWPTMCKIFIJIU-CYBMUJFWSA-N 1 1 349.435 -0.281 40 0 EBABMO CC(C)C[C@H]([NH3+])C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O ZINC000032064000 212785007 /nfs/dbraw/zinc/78/50/07/212785007.db2.gz MUAYBPXNPVZUIG-VIFPVBQESA-N 1 1 338.368 -0.408 40 0 in-vitro EBABMO O=C(Cn1cccnc1=O)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257208220 244141413 /nfs/dbraw/zinc/14/14/13/244141413.db2.gz BLEVIGTYOIOKEV-VXGBXAGGSA-N 1 1 342.346 -0.454 40 0 EBABMO CNC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)nc(C)n2CCO ZINC000257240474 244241568 /nfs/dbraw/zinc/24/15/68/244241568.db2.gz HTRDHVWVQVGHFG-OAHLLOKOSA-N 1 1 345.403 -0.503 40 0 EBABMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1cnccn1 ZINC000257262061 244350204 /nfs/dbraw/zinc/35/02/04/244350204.db2.gz LJWLHENZWORLJK-NVXWUHKLSA-N 1 1 343.387 -0.401 40 0 EBABMO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccn2)C[C@H]1O)c1cnccn1 ZINC000257262061 244350213 /nfs/dbraw/zinc/35/02/13/244350213.db2.gz LJWLHENZWORLJK-NVXWUHKLSA-N 1 1 343.387 -0.401 40 0 EBABMO CN(C)C(=O)C[N@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099492 376360935 /nfs/dbraw/zinc/36/09/35/376360935.db2.gz OCUWLXJUNWLRAI-KRWDZBQOSA-N 1 1 332.404 -0.098 40 0 EBABMO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104507 376361295 /nfs/dbraw/zinc/36/12/95/376361295.db2.gz PIEWCQYAIMGFCX-UONOGXRCSA-N 1 1 349.435 -0.107 40 0 EBABMO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104506 376361533 /nfs/dbraw/zinc/36/15/33/376361533.db2.gz PIEWCQYAIMGFCX-KGLIPLIRSA-N 1 1 349.435 -0.107 40 0 EBABMO CS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CC[N@H+](CC3CC3)CC[C@@H]21 ZINC000096251591 376498515 /nfs/dbraw/zinc/49/85/15/376498515.db2.gz PVOLAZHKUSXPLD-QWHCGFSZSA-N 1 1 336.479 -0.081 40 0 EBABMO CS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CC[N@@H+](CC3CC3)CC[C@@H]21 ZINC000096251591 376498531 /nfs/dbraw/zinc/49/85/31/376498531.db2.gz PVOLAZHKUSXPLD-QWHCGFSZSA-N 1 1 336.479 -0.081 40 0 EBABMO C[NH2+][C@@H]1C[C@@H](O)[C@](O)(CN2CCN(c3ccccc3)CC2)[C@@H](O)C1 ZINC000257288051 379195221 /nfs/dbraw/zinc/19/52/21/379195221.db2.gz PSPDYDKWPLNSTJ-QOQWGRSLSA-N 1 1 335.448 -0.357 40 0 EBABMO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)n1cncn1 ZINC000257293676 379198763 /nfs/dbraw/zinc/19/87/63/379198763.db2.gz 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Cc1c(CCC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)cnn1C ZINC000257328394 419303474 /nfs/dbraw/zinc/30/34/74/419303474.db2.gz XFKUBSDQGWXHRK-KRWDZBQOSA-N 1 1 336.436 -0.043 40 0 EBABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3ccon3)[C@H]2O)CC1 ZINC000257343024 419303811 /nfs/dbraw/zinc/30/38/11/419303811.db2.gz ZRCPRVVZVYTDSS-RBSFLKMASA-N 1 1 336.392 -0.197 40 0 EBABMO CN1CCN(CCNc2cc(C3CC3)nc(NCC[NH+](C)C)n2)CC1 ZINC000328967214 419508145 /nfs/dbraw/zinc/50/81/45/419508145.db2.gz CRCCJKYXWITHLE-UHFFFAOYSA-N 1 1 347.511 -0.169 40 0 EBABMO COC(C)(C)C(=O)N[C@@H]1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257319924 277175618 /nfs/dbraw/zinc/17/56/18/277175618.db2.gz VUPVVDPEHNGENO-MGPQQGTHSA-N 1 1 327.425 -0.416 40 0 EBABMO O=C(Cn1nnc2ccccc21)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257307139 295564423 /nfs/dbraw/zinc/56/44/23/295564423.db2.gz SXJATQJNXGXLAH-KRWDZBQOSA-N 1 1 345.403 -0.273 40 0 EBABMO C[C@H]1C(=O)O[C@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000054979045 214261863 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