smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCCC2)c1 ZINC000459379014 1032138564 /nfs/dbraw/zinc/13/85/64/1032138564.db2.gz ZNIDITZYDIXYGS-UHFFFAOYSA-N 1 1 335.407 4.334 20 30 EIEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000450058057 1032242608 /nfs/dbraw/zinc/24/26/08/1032242608.db2.gz GSHDICBPBJIHEE-ICSRJNTNSA-N 1 1 340.511 4.292 20 30 EIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC001211975325 1032261849 /nfs/dbraw/zinc/26/18/49/1032261849.db2.gz DEPQLGUQUBTYJC-ROUUACIJSA-N 1 1 343.471 4.123 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000585756126 1032299043 /nfs/dbraw/zinc/29/90/43/1032299043.db2.gz HTLBUTRRLLGHTC-QFIPXVFZSA-N 1 1 332.447 4.228 20 30 EIEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956492 1032314062 /nfs/dbraw/zinc/31/40/62/1032314062.db2.gz GWDIHIPRPIWFFO-LJQANCHMSA-N 1 1 349.434 4.162 20 30 EIEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956492 1032314075 /nfs/dbraw/zinc/31/40/75/1032314075.db2.gz GWDIHIPRPIWFFO-LJQANCHMSA-N 1 1 349.434 4.162 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1OCCCC#N ZINC000245563648 1032316480 /nfs/dbraw/zinc/31/64/80/1032316480.db2.gz PVEDTNQLFQKBPR-ZWKOTPCHSA-N 1 1 328.456 4.142 20 30 EIEDMO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000532928842 1032394329 /nfs/dbraw/zinc/39/43/29/1032394329.db2.gz RYVXCAVHWUPPKR-LSDHHAIUSA-N 1 1 347.528 4.243 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000532928841 1032394733 /nfs/dbraw/zinc/39/47/33/1032394733.db2.gz RYVXCAVHWUPPKR-HUUCEWRRSA-N 1 1 347.528 4.243 20 30 EIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000532977175 1032423513 /nfs/dbraw/zinc/42/35/13/1032423513.db2.gz WHYNNTUSZPYWQI-HNNXBMFYSA-N 1 1 341.480 4.258 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245735577 1032448887 /nfs/dbraw/zinc/44/88/87/1032448887.db2.gz KRETZAMPCHUWJQ-FXAWDEMLSA-N 1 1 335.451 4.054 20 30 EIEDMO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCCCC1 ZINC000450514296 1032539405 /nfs/dbraw/zinc/53/94/05/1032539405.db2.gz CUVWGHHKRXKSNE-ZWKOTPCHSA-N 1 1 332.532 4.282 20 30 EIEDMO C=CCC[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000533262982 1032585595 /nfs/dbraw/zinc/58/55/95/1032585595.db2.gz BVCMOFNKAMZZHF-IBGZPJMESA-N 1 1 343.515 4.210 20 30 EIEDMO N#Cc1cccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000533368473 1032706752 /nfs/dbraw/zinc/70/67/52/1032706752.db2.gz BBOJWLMRVRXFAO-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1)C(C)C ZINC000116805153 1018819625 /nfs/dbraw/zinc/81/96/25/1018819625.db2.gz ICAYQJYDZIFUID-LAUBAEHRSA-N 1 1 341.499 4.119 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 ZINC000274590319 1018822421 /nfs/dbraw/zinc/82/24/21/1018822421.db2.gz JUCOYUFPUMJVAV-ZJUUUORDSA-N 1 1 325.359 4.445 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CSC)C2)ccc1OC ZINC000430187474 1019054940 /nfs/dbraw/zinc/05/49/40/1019054940.db2.gz CCVFRLGLYSPMBW-KRWDZBQOSA-N 1 1 335.513 4.225 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)ccc1F ZINC000120474509 1019635456 /nfs/dbraw/zinc/63/54/56/1019635456.db2.gz KHYGZQOVFYHWGN-UHFFFAOYSA-N 1 1 336.366 4.198 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)ccc1F ZINC000120474509 1019635464 /nfs/dbraw/zinc/63/54/64/1019635464.db2.gz KHYGZQOVFYHWGN-UHFFFAOYSA-N 1 1 336.366 4.198 20 30 EIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC2 ZINC001204427981 1019651697 /nfs/dbraw/zinc/65/16/97/1019651697.db2.gz ACTRYJAPUDQKGP-UHFFFAOYSA-N 1 1 332.325 4.015 20 30 EIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC2 ZINC001204427981 1019651708 /nfs/dbraw/zinc/65/17/08/1019651708.db2.gz ACTRYJAPUDQKGP-UHFFFAOYSA-N 1 1 332.325 4.015 20 30 EIEDMO Cc1ccc(OC2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1C ZINC000512478723 1032879487 /nfs/dbraw/zinc/87/94/87/1032879487.db2.gz DKSNFPCUUGMYNS-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO C=CCCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001209436280 1020334455 /nfs/dbraw/zinc/33/44/55/1020334455.db2.gz PGWTVYCLPJCOEZ-JKSUJKDBSA-N 1 1 328.472 4.060 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(C)C ZINC001167227459 1020602320 /nfs/dbraw/zinc/60/23/20/1020602320.db2.gz QSPHXUCWOCVACQ-FQEVSTJZSA-N 1 1 332.463 4.070 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001167240697 1020648310 /nfs/dbraw/zinc/64/83/10/1020648310.db2.gz KMAHKEZNRBRBPR-HXUWFJFHSA-N 1 1 342.483 4.092 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001167240696 1020649085 /nfs/dbraw/zinc/64/90/85/1020649085.db2.gz KMAHKEZNRBRBPR-FQEVSTJZSA-N 1 1 342.483 4.092 20 30 EIEDMO CCOc1cc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000177616996 1021008308 /nfs/dbraw/zinc/00/83/08/1021008308.db2.gz LHHQLCWQLVMQRQ-ONNFQVAWSA-N 1 1 348.402 4.181 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001167309515 1021017996 /nfs/dbraw/zinc/01/79/96/1021017996.db2.gz DDQBZSXZSSDXRE-NKELODKYSA-N 1 1 345.483 4.123 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000153553078 1021202068 /nfs/dbraw/zinc/20/20/68/1021202068.db2.gz FWEYVVUMAFWSEY-LJQANCHMSA-N 1 1 325.481 4.435 20 30 EIEDMO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177685667 1021441410 /nfs/dbraw/zinc/44/14/10/1021441410.db2.gz NQPRWMMIBSUJFS-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177685667 1021441429 /nfs/dbraw/zinc/44/14/29/1021441429.db2.gz NQPRWMMIBSUJFS-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 ZINC000177616862 1021465059 /nfs/dbraw/zinc/46/50/59/1021465059.db2.gz KYKKOMGAEIMGPL-FARCUNLSSA-N 1 1 339.376 4.047 20 30 EIEDMO C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431814114 1021895339 /nfs/dbraw/zinc/89/53/39/1021895339.db2.gz OHDVWTIIEXEMFC-YOEHRIQHSA-N 1 1 340.858 4.072 20 30 EIEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054429010 1022126409 /nfs/dbraw/zinc/12/64/09/1022126409.db2.gz QKSLAGAXPXOFAX-LBPRGKRZSA-N 1 1 347.871 4.295 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180182706 1022138919 /nfs/dbraw/zinc/13/89/19/1022138919.db2.gz BHMAKDSCGXGKJY-INIZCTEOSA-N 1 1 331.529 4.096 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180182706 1022138938 /nfs/dbraw/zinc/13/89/38/1022138938.db2.gz BHMAKDSCGXGKJY-INIZCTEOSA-N 1 1 331.529 4.096 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000378106787 1022380269 /nfs/dbraw/zinc/38/02/69/1022380269.db2.gz ZKQZMXVWICRYAX-IEBWSBKVSA-N 1 1 346.902 4.217 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nc1 ZINC000580869836 1022642538 /nfs/dbraw/zinc/64/25/38/1022642538.db2.gz PKAJIZMTMPCWLF-UHFFFAOYSA-N 1 1 340.430 4.180 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180463738 1022670563 /nfs/dbraw/zinc/67/05/63/1022670563.db2.gz VZVPYWZXFFZLDR-UHFFFAOYSA-N 1 1 347.418 4.018 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180463738 1022670570 /nfs/dbraw/zinc/67/05/70/1022670570.db2.gz VZVPYWZXFFZLDR-UHFFFAOYSA-N 1 1 347.418 4.018 20 30 EIEDMO C=C(Br)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180565029 1022719583 /nfs/dbraw/zinc/71/95/83/1022719583.db2.gz PFLYPJIXQFCQOA-NSHDSACASA-N 1 1 326.131 4.317 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363819913 1022815823 /nfs/dbraw/zinc/81/58/23/1022815823.db2.gz NPXYHKKUYAGONY-AWEZNQCLSA-N 1 1 344.443 4.404 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539429 1022921359 /nfs/dbraw/zinc/92/13/59/1022921359.db2.gz HWEMPYMAIJFBKT-LBPRGKRZSA-N 1 1 344.381 4.031 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539429 1022921368 /nfs/dbraw/zinc/92/13/68/1022921368.db2.gz HWEMPYMAIJFBKT-LBPRGKRZSA-N 1 1 344.381 4.031 20 30 EIEDMO C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167707365 1022962915 /nfs/dbraw/zinc/96/29/15/1022962915.db2.gz RRYBDTWBGJKXAY-HNNXBMFYSA-N 1 1 335.455 4.148 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1OC ZINC000628421956 1022987559 /nfs/dbraw/zinc/98/75/59/1022987559.db2.gz GTBRLTMMNJHTNH-UHFFFAOYSA-N 1 1 325.399 4.271 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340959607 1023013400 /nfs/dbraw/zinc/01/34/00/1023013400.db2.gz RAGNMQSVODGSQV-GOSISDBHSA-N 1 1 348.425 4.020 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510394518 1023056269 /nfs/dbraw/zinc/05/62/69/1023056269.db2.gz HFEOBBQJMNYEKW-LJQANCHMSA-N 1 1 344.462 4.284 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206672 1023086275 /nfs/dbraw/zinc/08/62/75/1023086275.db2.gz YVEOEJVGIYGSMS-JRJVTICQSA-N 1 1 346.902 4.363 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364065994 1023235754 /nfs/dbraw/zinc/23/57/54/1023235754.db2.gz LRWZNPVCGPSJOO-ICSRJNTNSA-N 1 1 328.500 4.102 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1cc(OC)no1)c1ccc(C(F)(F)F)cc1 ZINC000660203527 1023298672 /nfs/dbraw/zinc/29/86/72/1023298672.db2.gz DIVWNFMMALRPCY-OAHLLOKOSA-N 1 1 340.345 4.499 20 30 EIEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865898 1023327585 /nfs/dbraw/zinc/32/75/85/1023327585.db2.gz CHWCNOZWAFUMII-SJLPKXTDSA-N 1 1 328.419 4.319 20 30 EIEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccncc2)c2cc(F)ccc2F)C1 ZINC000376955496 1023339416 /nfs/dbraw/zinc/33/94/16/1023339416.db2.gz OJFTZTKPLKLWFN-VVFCZOMOSA-N 1 1 327.378 4.121 20 30 EIEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5C#N)cc4)[C@H]1[C@H]3C2 ZINC000511638824 1023388162 /nfs/dbraw/zinc/38/81/62/1023388162.db2.gz CGDMRUVMFWVJDF-UUWFGAOWSA-N 1 1 344.458 4.080 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(OCCOC)c1)Cc1ccccc1F ZINC000511519974 1023406248 /nfs/dbraw/zinc/40/62/48/1023406248.db2.gz AIXLXQUETRFASE-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO C=CC[N@H+](Cc1cccc(OCCOC)c1)Cc1ccccc1F ZINC000511519974 1023406250 /nfs/dbraw/zinc/40/62/50/1023406250.db2.gz AIXLXQUETRFASE-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911076 1023414603 /nfs/dbraw/zinc/41/46/03/1023414603.db2.gz FDAGEZYTDIAHIR-KGVIQGDOSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911076 1023414607 /nfs/dbraw/zinc/41/46/07/1023414607.db2.gz FDAGEZYTDIAHIR-KGVIQGDOSA-N 1 1 333.479 4.262 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549173474 1023420805 /nfs/dbraw/zinc/42/08/05/1023420805.db2.gz XFRYTXMRHBXVIC-MRXNPFEDSA-N 1 1 338.373 4.121 20 30 EIEDMO CC(C)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000236654847 1023431412 /nfs/dbraw/zinc/43/14/12/1023431412.db2.gz PHKHRTOMQNZYIJ-UHFFFAOYSA-N 1 1 327.359 4.019 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H](C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000472753716 1023500461 /nfs/dbraw/zinc/50/04/61/1023500461.db2.gz SXUVMICDDRLAIA-AWEZNQCLSA-N 1 1 328.378 4.369 20 30 EIEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000155402019 1023660913 /nfs/dbraw/zinc/66/09/13/1023660913.db2.gz JMGNFUULVXVHCB-UHFFFAOYSA-N 1 1 334.398 4.028 20 30 EIEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000155402019 1023660917 /nfs/dbraw/zinc/66/09/17/1023660917.db2.gz JMGNFUULVXVHCB-UHFFFAOYSA-N 1 1 334.398 4.028 20 30 EIEDMO CC[N@@H+](CC(=O)c1c[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000103468816 1023686227 /nfs/dbraw/zinc/68/62/27/1023686227.db2.gz DSEHRLLRXFTGDV-HNNXBMFYSA-N 1 1 331.419 4.305 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1Cl ZINC000510467759 1023764174 /nfs/dbraw/zinc/76/41/74/1023764174.db2.gz RMWUTISJRQWGKY-UHFFFAOYSA-N 1 1 336.907 4.211 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1Cl ZINC000510467759 1023764191 /nfs/dbraw/zinc/76/41/91/1023764191.db2.gz RMWUTISJRQWGKY-UHFFFAOYSA-N 1 1 336.907 4.211 20 30 EIEDMO Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167487458 1023829952 /nfs/dbraw/zinc/82/99/52/1023829952.db2.gz MXQRPZUXFSSPKN-OAQYLSRUSA-N 1 1 347.462 4.423 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000388551129 1023893171 /nfs/dbraw/zinc/89/31/71/1023893171.db2.gz PFMXEEASQISIRS-UHFFFAOYSA-N 1 1 338.270 4.365 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661380673 1024078528 /nfs/dbraw/zinc/07/85/28/1024078528.db2.gz IJLGHKMRLFTIIE-AWEZNQCLSA-N 1 1 340.389 4.322 20 30 EIEDMO CCC[N@@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000109104293 1024150390 /nfs/dbraw/zinc/15/03/90/1024150390.db2.gz WXKLFUOABNSDFV-UHFFFAOYSA-N 1 1 331.419 4.134 20 30 EIEDMO CCOc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1OC(F)F ZINC000127386132 1024398893 /nfs/dbraw/zinc/39/88/93/1024398893.db2.gz BCVIKVSYQXMHBM-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1OC(F)F ZINC000127386132 1024398907 /nfs/dbraw/zinc/39/89/07/1024398907.db2.gz BCVIKVSYQXMHBM-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000893971029 1033208603 /nfs/dbraw/zinc/20/86/03/1033208603.db2.gz ALVLXJVNPHWIDD-NEPJUHHUSA-N 1 1 332.835 4.369 20 30 EIEDMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341584903 1024474157 /nfs/dbraw/zinc/47/41/57/1024474157.db2.gz MKXAEIAVSKIPBE-LBPRGKRZSA-N 1 1 347.871 4.041 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341584903 1024474173 /nfs/dbraw/zinc/47/41/73/1024474173.db2.gz MKXAEIAVSKIPBE-LBPRGKRZSA-N 1 1 347.871 4.041 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181810994 1024495053 /nfs/dbraw/zinc/49/50/53/1024495053.db2.gz MXHSOBDEAZKEAB-DEYYWGMASA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181810994 1024495083 /nfs/dbraw/zinc/49/50/83/1024495083.db2.gz MXHSOBDEAZKEAB-DEYYWGMASA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181810994 1024495104 /nfs/dbraw/zinc/49/51/04/1024495104.db2.gz MXHSOBDEAZKEAB-DEYYWGMASA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181810994 1024495108 /nfs/dbraw/zinc/49/51/08/1024495108.db2.gz MXHSOBDEAZKEAB-DEYYWGMASA-N 1 1 345.537 4.415 20 30 EIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@@H](C)C#N ZINC000091982928 1024707604 /nfs/dbraw/zinc/70/76/04/1024707604.db2.gz VVJYRJRMGDYRPC-INIZCTEOSA-N 1 1 338.451 4.352 20 30 EIEDMO CC[N@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@@H](C)C#N ZINC000091982928 1024707631 /nfs/dbraw/zinc/70/76/31/1024707631.db2.gz VVJYRJRMGDYRPC-INIZCTEOSA-N 1 1 338.451 4.352 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000662084475 1024850740 /nfs/dbraw/zinc/85/07/40/1024850740.db2.gz RTMDQZZIBDXWEV-TXEJJXNPSA-N 1 1 325.239 4.115 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000662084475 1024850743 /nfs/dbraw/zinc/85/07/43/1024850743.db2.gz RTMDQZZIBDXWEV-TXEJJXNPSA-N 1 1 325.239 4.115 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000662084862 1024851646 /nfs/dbraw/zinc/85/16/46/1024851646.db2.gz XOAQFKWLSFUDPX-IYBDPMFKSA-N 1 1 329.831 4.116 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000093872221 1024897304 /nfs/dbraw/zinc/89/73/04/1024897304.db2.gz RJJYJXIRRAUGTJ-LEWJYISDSA-N 1 1 342.446 4.348 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000093872221 1024897313 /nfs/dbraw/zinc/89/73/13/1024897313.db2.gz RJJYJXIRRAUGTJ-LEWJYISDSA-N 1 1 342.446 4.348 20 30 EIEDMO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000610946724 1025152614 /nfs/dbraw/zinc/15/26/14/1025152614.db2.gz BJNUJJDNWGEJMV-UHFFFAOYSA-N 1 1 346.409 4.150 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC000610993797 1025230433 /nfs/dbraw/zinc/23/04/33/1025230433.db2.gz ISMYLLITJDLNEP-QGZVFWFLSA-N 1 1 338.476 4.181 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)ccn1 ZINC000610992336 1025235699 /nfs/dbraw/zinc/23/56/99/1025235699.db2.gz WCGZQJZMOTVRQE-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)ccn1 ZINC000610992336 1025235710 /nfs/dbraw/zinc/23/57/10/1025235710.db2.gz WCGZQJZMOTVRQE-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO CC(C)(C#N)CCN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000548527650 1025367287 /nfs/dbraw/zinc/36/72/87/1025367287.db2.gz UESGYAMXHBTXPJ-GOSISDBHSA-N 1 1 349.469 4.410 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000426573518 1025638622 /nfs/dbraw/zinc/63/86/22/1025638622.db2.gz MXRSHLWRVIWQCM-CQSZACIVSA-N 1 1 329.362 4.177 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719522 1025802625 /nfs/dbraw/zinc/80/26/25/1025802625.db2.gz YQCDSSSWCLRCKS-KDOFPFPSSA-N 1 1 345.899 4.345 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157060148 1025806035 /nfs/dbraw/zinc/80/60/35/1025806035.db2.gz SMRHLBBZMRNRPI-OAHLLOKOSA-N 1 1 338.904 4.078 20 30 EIEDMO Cc1cc(C(F)(F)F)c(C#N)c(SCC[C@H]2CCCC[N@@H+]2C)n1 ZINC000585731389 1025810151 /nfs/dbraw/zinc/81/01/51/1025810151.db2.gz FGHHHQWEFAAGBO-GFCCVEGCSA-N 1 1 343.418 4.247 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC=C(c3c(F)cccc3F)CC2)CCOCC1 ZINC000369198538 1025853433 /nfs/dbraw/zinc/85/34/33/1025853433.db2.gz OOQMCANABZDMBR-UHFFFAOYSA-N 1 1 346.421 4.154 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000278968990 1025874761 /nfs/dbraw/zinc/87/47/61/1025874761.db2.gz PVDALUMPQDIVFE-LJQANCHMSA-N 1 1 344.842 4.062 20 30 EIEDMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c12 ZINC001167842952 1025943243 /nfs/dbraw/zinc/94/32/43/1025943243.db2.gz SSOWJRMGBHRNJZ-WKILWMFISA-N 1 1 349.438 4.184 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000550113423 1026143150 /nfs/dbraw/zinc/14/31/50/1026143150.db2.gz XVFHINNMTCWEQP-CYBMUJFWSA-N 1 1 326.827 4.340 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000550113423 1026143158 /nfs/dbraw/zinc/14/31/58/1026143158.db2.gz XVFHINNMTCWEQP-CYBMUJFWSA-N 1 1 326.827 4.340 20 30 EIEDMO C=CC[N@@H+](CCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000303783331 1026193598 /nfs/dbraw/zinc/19/35/98/1026193598.db2.gz DEOUCGZARKKGGY-UHFFFAOYSA-N 1 1 333.435 4.010 20 30 EIEDMO N#Cc1c(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cn2ccccc12 ZINC000344383763 1026360468 /nfs/dbraw/zinc/36/04/68/1026360468.db2.gz XCNRQUYAUQDPDF-INIZCTEOSA-N 1 1 349.459 4.110 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cn2ccccc12 ZINC000344383763 1026360483 /nfs/dbraw/zinc/36/04/83/1026360483.db2.gz XCNRQUYAUQDPDF-INIZCTEOSA-N 1 1 349.459 4.110 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@H](c4cccc(F)c4)C3)n2)cc1 ZINC000729468636 1026395327 /nfs/dbraw/zinc/39/53/27/1026395327.db2.gz CVEHZHMPKPUHLG-IBGZPJMESA-N 1 1 346.409 4.008 20 30 EIEDMO CSc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000894750335 1026402773 /nfs/dbraw/zinc/40/27/73/1026402773.db2.gz SSDWGSLLFDDZMQ-UHFFFAOYSA-N 1 1 346.427 4.056 20 30 EIEDMO N#Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC001167983036 1026425331 /nfs/dbraw/zinc/42/53/31/1026425331.db2.gz JEYGUNQLYYVVRF-UHFFFAOYSA-N 1 1 332.403 4.102 20 30 EIEDMO Cc1ccc(N2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H](C)C2)cc1C ZINC001167562483 1026429775 /nfs/dbraw/zinc/42/97/75/1026429775.db2.gz LRXNXZVFXUBHAR-LJQANCHMSA-N 1 1 336.454 4.005 20 30 EIEDMO Cc1ccc(N2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H](C)C2)cc1C ZINC001167562483 1026429787 /nfs/dbraw/zinc/42/97/87/1026429787.db2.gz LRXNXZVFXUBHAR-LJQANCHMSA-N 1 1 336.454 4.005 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CCCC2)c(-c2ccncc2)n1 ZINC000279464956 1026438814 /nfs/dbraw/zinc/43/88/14/1026438814.db2.gz UVRMVCYCWZMUDV-FQEVSTJZSA-N 1 1 349.482 4.013 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313368 1026682951 /nfs/dbraw/zinc/68/29/51/1026682951.db2.gz IPYIMLBUPBYWHI-ZOBUZTSGSA-N 1 1 329.463 4.001 20 30 EIEDMO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccc(C#N)cc1 ZINC000507202179 1026690269 /nfs/dbraw/zinc/69/02/69/1026690269.db2.gz INWFRIHYHYOCGK-UHFFFAOYSA-N 1 1 336.826 4.029 20 30 EIEDMO C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccc(C#N)cc1 ZINC000507202179 1026690277 /nfs/dbraw/zinc/69/02/77/1026690277.db2.gz INWFRIHYHYOCGK-UHFFFAOYSA-N 1 1 336.826 4.029 20 30 EIEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(OC(F)F)cc1C ZINC000507242353 1026715056 /nfs/dbraw/zinc/71/50/56/1026715056.db2.gz FZNAIJVQYVUNOC-UHFFFAOYSA-N 1 1 330.378 4.409 20 30 EIEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000500482675 1026784012 /nfs/dbraw/zinc/78/40/12/1026784012.db2.gz XBBNZCASCNSEAX-INIZCTEOSA-N 1 1 333.863 4.051 20 30 EIEDMO C=CCC[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427230410 1026787270 /nfs/dbraw/zinc/78/72/70/1026787270.db2.gz FGQWXLKJEKDFPL-VQTJNVASSA-N 1 1 328.500 4.069 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000479442903 1026813768 /nfs/dbraw/zinc/81/37/68/1026813768.db2.gz XCCLLDUSIQLTEP-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375277 1026814755 /nfs/dbraw/zinc/81/47/55/1026814755.db2.gz PDHWEZHTNLYRKT-UHFFFAOYSA-N 1 1 348.406 4.173 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375277 1026814758 /nfs/dbraw/zinc/81/47/58/1026814758.db2.gz PDHWEZHTNLYRKT-UHFFFAOYSA-N 1 1 348.406 4.173 20 30 EIEDMO N#Cc1cccc(OCCC[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000127914542 1026818652 /nfs/dbraw/zinc/81/86/52/1026818652.db2.gz DRJJJEMOGHVUAM-LJQANCHMSA-N 1 1 349.459 4.163 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC001167590261 1026863379 /nfs/dbraw/zinc/86/33/79/1026863379.db2.gz PIPPLPGHGXDMLA-UHFFFAOYSA-N 1 1 349.519 4.182 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC001167590261 1026863382 /nfs/dbraw/zinc/86/33/82/1026863382.db2.gz PIPPLPGHGXDMLA-UHFFFAOYSA-N 1 1 349.519 4.182 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000519749039 1026975855 /nfs/dbraw/zinc/97/58/55/1026975855.db2.gz CWQVTQBTRHTBMV-TZIWHRDSSA-N 1 1 347.462 4.155 20 30 EIEDMO C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000237410805 1026989652 /nfs/dbraw/zinc/98/96/52/1026989652.db2.gz TYYPNTWKMVOWMM-LJQANCHMSA-N 1 1 348.490 4.014 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000519908962 1027042227 /nfs/dbraw/zinc/04/22/27/1027042227.db2.gz ZSTPKTHPBLPNET-CYBMUJFWSA-N 1 1 343.298 4.411 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000519908962 1027042238 /nfs/dbraw/zinc/04/22/38/1027042238.db2.gz ZSTPKTHPBLPNET-CYBMUJFWSA-N 1 1 343.298 4.411 20 30 EIEDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001167608063 1027098335 /nfs/dbraw/zinc/09/83/35/1027098335.db2.gz IQFRDMMBBKAHMP-GFCCVEGCSA-N 1 1 349.297 4.445 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000342814039 1027125806 /nfs/dbraw/zinc/12/58/06/1027125806.db2.gz URVZWDJSXRLVFR-NRFANRHFSA-N 1 1 330.435 4.044 20 30 EIEDMO CC[C@@H](CC#N)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000302161634 1027237597 /nfs/dbraw/zinc/23/75/97/1027237597.db2.gz PURFGXBNFQQKTN-AWEZNQCLSA-N 1 1 343.500 4.008 20 30 EIEDMO COc1ccccc1OCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173887 1027276914 /nfs/dbraw/zinc/27/69/14/1027276914.db2.gz GSABLZSTZRWSAG-UHFFFAOYSA-N 1 1 338.451 4.104 20 30 EIEDMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000428346977 1027335364 /nfs/dbraw/zinc/33/53/64/1027335364.db2.gz GZKAVTSSMMRSQL-HNNXBMFYSA-N 1 1 345.450 4.318 20 30 EIEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000897301417 1027457393 /nfs/dbraw/zinc/45/73/93/1027457393.db2.gz IXPYMTJOAAOOMG-KRWDZBQOSA-N 1 1 337.492 4.071 20 30 EIEDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428354161 1027486392 /nfs/dbraw/zinc/48/63/92/1027486392.db2.gz XXAPMBSTJZOVLI-CQSZACIVSA-N 1 1 334.398 4.042 20 30 EIEDMO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000329163527 1027618774 /nfs/dbraw/zinc/61/87/74/1027618774.db2.gz GIINVCDABWQQHE-IEBWSBKVSA-N 1 1 343.471 4.068 20 30 EIEDMO C[C@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCCCCC1 ZINC000329268092 1027681615 /nfs/dbraw/zinc/68/16/15/1027681615.db2.gz GIULDMGSKPYGMR-CYBMUJFWSA-N 1 1 330.457 4.058 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000329371615 1027754326 /nfs/dbraw/zinc/75/43/26/1027754326.db2.gz JASHPXPYIYHUQN-QFBILLFUSA-N 1 1 338.455 4.275 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686330 1027795757 /nfs/dbraw/zinc/79/57/57/1027795757.db2.gz GFUWJOQTWLPIEW-CABCVRRESA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686330 1027795780 /nfs/dbraw/zinc/79/57/80/1027795780.db2.gz GFUWJOQTWLPIEW-CABCVRRESA-N 1 1 346.862 4.159 20 30 EIEDMO CCN(c1ccccc1)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000583003241 1027830528 /nfs/dbraw/zinc/83/05/28/1027830528.db2.gz CSOTYGXFZSZIRC-IBGZPJMESA-N 1 1 332.451 4.378 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428307489 1027897783 /nfs/dbraw/zinc/89/77/83/1027897783.db2.gz VBBBBXLSARJUOA-QGZVFWFLSA-N 1 1 348.425 4.020 20 30 EIEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660651 1027930623 /nfs/dbraw/zinc/93/06/23/1027930623.db2.gz KADUHJNXDPNTFL-UGKGYDQZSA-N 1 1 348.490 4.122 20 30 EIEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278073594 1027976446 /nfs/dbraw/zinc/97/64/46/1027976446.db2.gz GPGAMSUXHIGRPE-OAHLLOKOSA-N 1 1 326.465 4.021 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2noc(Cc3ccccc3)n2)CCCC1(C)C ZINC000444776065 1028057209 /nfs/dbraw/zinc/05/72/09/1028057209.db2.gz AVQNEFDEVSQCRS-QGZVFWFLSA-N 1 1 325.456 4.227 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2noc(Cc3ccccc3)n2)CCCC1(C)C ZINC000444776065 1028057224 /nfs/dbraw/zinc/05/72/24/1028057224.db2.gz AVQNEFDEVSQCRS-QGZVFWFLSA-N 1 1 325.456 4.227 20 30 EIEDMO CCCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000523450495 1028103939 /nfs/dbraw/zinc/10/39/39/1028103939.db2.gz YHBULZWNXBOMTR-GOSISDBHSA-N 1 1 349.478 4.038 20 30 EIEDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000329891663 1028148450 /nfs/dbraw/zinc/14/84/50/1028148450.db2.gz IEKSRUQYJGETPQ-MJBXVCDLSA-N 1 1 344.484 4.095 20 30 EIEDMO C[N@@H+](CCNC(=O)[C@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000330013675 1028185120 /nfs/dbraw/zinc/18/51/20/1028185120.db2.gz MJIZMITWICKSRI-SFHVURJKSA-N 1 1 330.472 4.033 20 30 EIEDMO CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2O1 ZINC000330227560 1028232825 /nfs/dbraw/zinc/23/28/25/1028232825.db2.gz PHVRTNPXFJUKPU-OAHLLOKOSA-N 1 1 330.428 4.189 20 30 EIEDMO CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2O1 ZINC000330227560 1028232841 /nfs/dbraw/zinc/23/28/41/1028232841.db2.gz PHVRTNPXFJUKPU-OAHLLOKOSA-N 1 1 330.428 4.189 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001203409572 1028264161 /nfs/dbraw/zinc/26/41/61/1028264161.db2.gz WGZOVQNLCNKWKG-OAHLLOKOSA-N 1 1 344.817 4.394 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001203409572 1028264173 /nfs/dbraw/zinc/26/41/73/1028264173.db2.gz WGZOVQNLCNKWKG-OAHLLOKOSA-N 1 1 344.817 4.394 20 30 EIEDMO C=CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(OC)cc1 ZINC000346155815 1028287032 /nfs/dbraw/zinc/28/70/32/1028287032.db2.gz RRUQNKUXECXLCK-UHFFFAOYSA-N 1 1 339.464 4.131 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)ccc1Br ZINC001307481238 1028476027 /nfs/dbraw/zinc/47/60/27/1028476027.db2.gz ZZHDXJPKZMSEJS-SUYBPPKGSA-N 1 1 333.273 4.474 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000346723127 1028610031 /nfs/dbraw/zinc/61/00/31/1028610031.db2.gz SHULVXRMXSAFNW-INIZCTEOSA-N 1 1 329.488 4.096 20 30 EIEDMO Cc1ccc(C#N)c(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000346832381 1028778681 /nfs/dbraw/zinc/77/86/81/1028778681.db2.gz NESVADJDPKAYEG-KRWDZBQOSA-N 1 1 334.467 4.248 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)cc1 ZINC000583627141 1028964516 /nfs/dbraw/zinc/96/45/16/1028964516.db2.gz LMLHGOPKSVGJGY-CQSZACIVSA-N 1 1 343.434 4.109 20 30 EIEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254147 1029113902 /nfs/dbraw/zinc/11/39/02/1029113902.db2.gz VTWUETOWGPQCRO-WBVHZDCISA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444317011 1029207619 /nfs/dbraw/zinc/20/76/19/1029207619.db2.gz NNHNRWKPWMCWGO-KRWDZBQOSA-N 1 1 328.456 4.215 20 30 EIEDMO C=C(C)C[N@H+](C/C=C/c1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000583839669 1029254153 /nfs/dbraw/zinc/25/41/53/1029254153.db2.gz RLIOSNZQZBMQFY-ONEGZZNKSA-N 1 1 333.378 4.142 20 30 EIEDMO C=C(C)C[N@@H+](C/C=C/c1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000583839669 1029254166 /nfs/dbraw/zinc/25/41/66/1029254166.db2.gz RLIOSNZQZBMQFY-ONEGZZNKSA-N 1 1 333.378 4.142 20 30 EIEDMO C[C@@H]1CC([N@H+]2CCC[C@H](CC#N)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168058789 1029376629 /nfs/dbraw/zinc/37/66/29/1029376629.db2.gz CFNZOZZOPUYCDT-QWFCFKBJSA-N 1 1 325.500 4.054 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127883 1029465531 /nfs/dbraw/zinc/46/55/31/1029465531.db2.gz QXBXILBZSWDVNV-MOPGFXCFSA-N 1 1 330.447 4.257 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)ccc1OC ZINC000475288007 1029501051 /nfs/dbraw/zinc/50/10/51/1029501051.db2.gz QHJDFKPSCQRLTC-HIFRSBDPSA-N 1 1 343.389 4.423 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441091708 1029566523 /nfs/dbraw/zinc/56/65/23/1029566523.db2.gz NMDSWKLMSXZMOY-LPHOPBHVSA-N 1 1 347.462 4.011 20 30 EIEDMO C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1Br ZINC000446797496 1029575711 /nfs/dbraw/zinc/57/57/11/1029575711.db2.gz RCQFAAHTVYYMKD-GXTWGEPZSA-N 1 1 336.277 4.005 20 30 EIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329681218 1029635033 /nfs/dbraw/zinc/63/50/33/1029635033.db2.gz YEHAJTDTYQUHFK-OCCSQVGLSA-N 1 1 343.496 4.207 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000129752138 1029657316 /nfs/dbraw/zinc/65/73/16/1029657316.db2.gz PPORAFBTIHICAP-XLIONFOSSA-N 1 1 347.462 4.012 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 ZINC000348524512 1029688043 /nfs/dbraw/zinc/68/80/43/1029688043.db2.gz IHOPKYFUGAGEIL-UHFFFAOYSA-N 1 1 343.515 4.463 20 30 EIEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690649 1029697153 /nfs/dbraw/zinc/69/71/53/1029697153.db2.gz SESKNVMRKYGSGJ-UGKGYDQZSA-N 1 1 345.490 4.086 20 30 EIEDMO CC(C)[N@H+](Cc1cccs1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441212615 1029707404 /nfs/dbraw/zinc/70/74/04/1029707404.db2.gz UOWBLZDVZFXCSM-UHFFFAOYSA-N 1 1 338.436 4.080 20 30 EIEDMO CC(C)[N@@H+](Cc1cccs1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441212615 1029707417 /nfs/dbraw/zinc/70/74/17/1029707417.db2.gz UOWBLZDVZFXCSM-UHFFFAOYSA-N 1 1 338.436 4.080 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000135286734 1029725383 /nfs/dbraw/zinc/72/53/83/1029725383.db2.gz DAIQJRSYXUTJSU-GOSISDBHSA-N 1 1 326.465 4.123 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000135286734 1029725391 /nfs/dbraw/zinc/72/53/91/1029725391.db2.gz DAIQJRSYXUTJSU-GOSISDBHSA-N 1 1 326.465 4.123 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080959053 1029766422 /nfs/dbraw/zinc/76/64/22/1029766422.db2.gz HZJMAAFVMATPNN-FQEVSTJZSA-N 1 1 342.446 4.328 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1CCOC2 ZINC000639643421 1029777851 /nfs/dbraw/zinc/77/78/51/1029777851.db2.gz HRPVLANUUHTNGO-UHFFFAOYSA-N 1 1 339.483 4.115 20 30 EIEDMO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750079 1029806734 /nfs/dbraw/zinc/80/67/34/1029806734.db2.gz NTXDIIMMLJTUSV-BSIFCXSSSA-N 1 1 325.500 4.252 20 30 EIEDMO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750079 1029806737 /nfs/dbraw/zinc/80/67/37/1029806737.db2.gz NTXDIIMMLJTUSV-BSIFCXSSSA-N 1 1 325.500 4.252 20 30 EIEDMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@H]3CC[C@@H](CC#N)C3)c12 ZINC000450676794 1029912184 /nfs/dbraw/zinc/91/21/84/1029912184.db2.gz XVXYLVAIEIHHLF-HOTGVXAUSA-N 1 1 349.438 4.184 20 30 EIEDMO CC[N@@H+](Cc1cncn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000525833002 1030052805 /nfs/dbraw/zinc/05/28/05/1030052805.db2.gz YKQQIOJLHVXBPZ-SFHVURJKSA-N 1 1 344.462 4.386 20 30 EIEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000361472493 1030073094 /nfs/dbraw/zinc/07/30/94/1030073094.db2.gz YAMASRVGYLMDLE-QGZVFWFLSA-N 1 1 347.890 4.097 20 30 EIEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367383035 1030100553 /nfs/dbraw/zinc/10/05/53/1030100553.db2.gz AZGQXSDKDFYXOF-FXAWDEMLSA-N 1 1 346.902 4.033 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccc(Cl)cc3)C3CC3)n2c1 ZINC000130105896 1030180639 /nfs/dbraw/zinc/18/06/39/1030180639.db2.gz XTDPJSNCALRXCX-UHFFFAOYSA-N 1 1 336.826 4.024 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+](Cc3ccc(Cl)cc3)C3CC3)n2c1 ZINC000130105896 1030180653 /nfs/dbraw/zinc/18/06/53/1030180653.db2.gz XTDPJSNCALRXCX-UHFFFAOYSA-N 1 1 336.826 4.024 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)ccc1OC ZINC000069168282 1030183323 /nfs/dbraw/zinc/18/33/23/1030183323.db2.gz XTQAPFKOPNFJHE-AWEZNQCLSA-N 1 1 332.469 4.266 20 30 EIEDMO CC[N@@H+](Cc1cnc2ccc(Cl)cn12)[C@H](C)c1ccc(C#N)cc1 ZINC000508606183 1030316869 /nfs/dbraw/zinc/31/68/69/1030316869.db2.gz UXFNGALUGSSTOI-CQSZACIVSA-N 1 1 338.842 4.442 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccc(C#N)c4)C3)nc2c1 ZINC000179187236 1030326651 /nfs/dbraw/zinc/32/66/51/1030326651.db2.gz QLWVKICJEZOAHH-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cccc(C#N)c4)C3)[nH]c2c1 ZINC000179187236 1030326668 /nfs/dbraw/zinc/32/66/68/1030326668.db2.gz QLWVKICJEZOAHH-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cccc(C#N)c4)C3)[nH]c2c1 ZINC000179187236 1030326687 /nfs/dbraw/zinc/32/66/87/1030326687.db2.gz QLWVKICJEZOAHH-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451331211 1030409335 /nfs/dbraw/zinc/40/93/35/1030409335.db2.gz NMIGTJXJYWFAGJ-IBGZPJMESA-N 1 1 342.870 4.307 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2ccccc2F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000527074096 1030465441 /nfs/dbraw/zinc/46/54/41/1030465441.db2.gz PJOQAOFLYJLXCB-MRXNPFEDSA-N 1 1 348.425 4.466 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000527074096 1030465461 /nfs/dbraw/zinc/46/54/61/1030465461.db2.gz PJOQAOFLYJLXCB-MRXNPFEDSA-N 1 1 348.425 4.466 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000191445737 1030626058 /nfs/dbraw/zinc/62/60/58/1030626058.db2.gz LIWNCSXCOIDIQB-WMZOPIPTSA-N 1 1 343.515 4.485 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cncn1Cc1ccccc1 ZINC000527324679 1030633290 /nfs/dbraw/zinc/63/32/90/1030633290.db2.gz BPRBGZRTTTYBMQ-UHFFFAOYSA-N 1 1 331.463 4.162 20 30 EIEDMO CC[N@@H+](Cc1ccnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000448334635 1030745940 /nfs/dbraw/zinc/74/59/40/1030745940.db2.gz JLVBBKFHEDKICP-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527617977 1030776374 /nfs/dbraw/zinc/77/63/74/1030776374.db2.gz APPJSDMTQCQCFV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527617977 1030776392 /nfs/dbraw/zinc/77/63/92/1030776392.db2.gz APPJSDMTQCQCFV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001142388505 1030777805 /nfs/dbraw/zinc/77/78/05/1030777805.db2.gz YOOQHZFSSAGTFY-GOSISDBHSA-N 1 1 338.451 4.025 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452108708 1030844585 /nfs/dbraw/zinc/84/45/85/1030844585.db2.gz FKUHNUVZZIBBST-UHFFFAOYSA-N 1 1 333.442 4.055 20 30 EIEDMO C[NH+](C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811775 1030856230 /nfs/dbraw/zinc/85/62/30/1030856230.db2.gz SLNBCXLYBBHNIW-SFHVURJKSA-N 1 1 348.277 4.258 20 30 EIEDMO Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)[nH+]1 ZINC000237751205 1030866644 /nfs/dbraw/zinc/86/66/44/1030866644.db2.gz LHDKXPNKSGQGNZ-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO Cc1ccc[nH+]c1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237757467 1030867035 /nfs/dbraw/zinc/86/70/35/1030867035.db2.gz UZXXDLVYAYDKIT-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(SCC)cc1Br)CC1CC1 ZINC001168233968 1031384884 /nfs/dbraw/zinc/38/48/84/1031384884.db2.gz ITVIFFQFSHMMED-UHFFFAOYSA-N 1 1 338.314 4.406 20 30 EIEDMO C#CC[N@H+](Cc1ccc(SCC)cc1Br)CC1CC1 ZINC001168233968 1031384897 /nfs/dbraw/zinc/38/48/97/1031384897.db2.gz ITVIFFQFSHMMED-UHFFFAOYSA-N 1 1 338.314 4.406 20 30 EIEDMO C[C@@H]1C[NH+](Cc2ccccc2NC2CCC(C)(C#N)CC2)C[C@@H](C)O1 ZINC000449051869 1031403896 /nfs/dbraw/zinc/40/38/96/1031403896.db2.gz WSYUFICSSASHMI-BFIFELMSSA-N 1 1 341.499 4.180 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000119999822 1031421038 /nfs/dbraw/zinc/42/10/38/1031421038.db2.gz GJTFFYIZNINYEI-NSHDSACASA-N 1 1 331.407 4.281 20 30 EIEDMO C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073715 1031429809 /nfs/dbraw/zinc/42/98/09/1031429809.db2.gz NSJSLHVQQWPWIB-RBUKOAKNSA-N 1 1 347.506 4.304 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000124225465 1031517056 /nfs/dbraw/zinc/51/70/56/1031517056.db2.gz BOKMYOZJDUHMFH-HRAATJIYSA-N 1 1 336.435 4.323 20 30 EIEDMO C=CCOCC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC001168252744 1031546573 /nfs/dbraw/zinc/54/65/73/1031546573.db2.gz SBNJXRLTKLCFNP-UHFFFAOYSA-N 1 1 333.472 4.041 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(C#N)cc1 ZINC000548931911 1031553479 /nfs/dbraw/zinc/55/34/79/1031553479.db2.gz HJXIVZNFAUKMPT-LBPRGKRZSA-N 1 1 340.224 4.043 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1F ZINC000449239341 1031576422 /nfs/dbraw/zinc/57/64/22/1031576422.db2.gz JEGVRONQSRVSSK-RFAUZJTJSA-N 1 1 334.316 4.453 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179908009 1031597249 /nfs/dbraw/zinc/59/72/49/1031597249.db2.gz NRJPGCOJCPDIEB-UHFFFAOYSA-N 1 1 342.446 4.123 20 30 EIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000449327411 1031623924 /nfs/dbraw/zinc/62/39/24/1031623924.db2.gz BFPAYNQFKKIVCF-GOSISDBHSA-N 1 1 327.516 4.002 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000532654502 1031678767 /nfs/dbraw/zinc/67/87/67/1031678767.db2.gz VARUVOZMZFTIBT-HXUWFJFHSA-N 1 1 348.446 4.098 20 30 EIEDMO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000612585232 1031680313 /nfs/dbraw/zinc/68/03/13/1031680313.db2.gz SYHQMNRFWQXZFH-UHFFFAOYSA-N 1 1 338.411 4.002 20 30 EIEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000127431274 1031692819 /nfs/dbraw/zinc/69/28/19/1031692819.db2.gz GQBZMRWHCYEJAC-UHFFFAOYSA-N 1 1 329.403 4.055 20 30 EIEDMO COc1cccc(C[C@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000528752658 1031828171 /nfs/dbraw/zinc/82/81/71/1031828171.db2.gz YOUREXNNEHRASJ-QGZVFWFLSA-N 1 1 341.480 4.011 20 30 EIEDMO N#CCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1CC1 ZINC000459335113 1031849598 /nfs/dbraw/zinc/84/95/98/1031849598.db2.gz HBWPLWWIDJLIOY-UHFFFAOYSA-N 1 1 349.482 4.186 20 30 EIEDMO N#CCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1CC1 ZINC000459335113 1031849610 /nfs/dbraw/zinc/84/96/10/1031849610.db2.gz HBWPLWWIDJLIOY-UHFFFAOYSA-N 1 1 349.482 4.186 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453608330 1032043705 /nfs/dbraw/zinc/04/37/05/1032043705.db2.gz GQOUVWBFFVBPGZ-OAHLLOKOSA-N 1 1 336.277 4.311 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000512551008 1033330705 /nfs/dbraw/zinc/33/07/05/1033330705.db2.gz ADOBDWWHOZJPLO-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO CCC[N@H+](C)[C@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574428 1033404384 /nfs/dbraw/zinc/40/43/84/1033404384.db2.gz RGQMCUHKAZPRBD-GOSISDBHSA-N 1 1 347.915 4.446 20 30 EIEDMO CCC[N@@H+](C)[C@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574428 1033404408 /nfs/dbraw/zinc/40/44/08/1033404408.db2.gz RGQMCUHKAZPRBD-GOSISDBHSA-N 1 1 347.915 4.446 20 30 EIEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000512621521 1033511656 /nfs/dbraw/zinc/51/16/56/1033511656.db2.gz YWWBYZITDVHYEE-BBATYDOGSA-N 1 1 334.341 4.014 20 30 EIEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000614159363 1033528440 /nfs/dbraw/zinc/52/84/40/1033528440.db2.gz AJMFMOAUUUXMBL-UHFFFAOYSA-N 1 1 349.478 4.175 20 30 EIEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000614159363 1033528453 /nfs/dbraw/zinc/52/84/53/1033528453.db2.gz AJMFMOAUUUXMBL-UHFFFAOYSA-N 1 1 349.478 4.175 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000614160545 1033533645 /nfs/dbraw/zinc/53/36/45/1033533645.db2.gz AYNXFRVGCFOJCU-FQEVSTJZSA-N 1 1 338.451 4.262 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000614168183 1033556886 /nfs/dbraw/zinc/55/68/86/1033556886.db2.gz WPNNVCQXQKGNQG-MRXNPFEDSA-N 1 1 340.389 4.031 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512635808 1033580968 /nfs/dbraw/zinc/58/09/68/1033580968.db2.gz IKKWYUSRKJYXQU-NWDGAFQWSA-N 1 1 346.377 4.265 20 30 EIEDMO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176866 1033594883 /nfs/dbraw/zinc/59/48/83/1033594883.db2.gz REPVCBAKNMYYJV-UHFFFAOYSA-N 1 1 330.472 4.040 20 30 EIEDMO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176866 1033594890 /nfs/dbraw/zinc/59/48/90/1033594890.db2.gz REPVCBAKNMYYJV-UHFFFAOYSA-N 1 1 330.472 4.040 20 30 EIEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186055 1033638908 /nfs/dbraw/zinc/63/89/08/1033638908.db2.gz OSMDQKLFCHAUHD-GOSISDBHSA-N 1 1 342.483 4.041 20 30 EIEDMO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659357 1033645803 /nfs/dbraw/zinc/64/58/03/1033645803.db2.gz FZPGVLRNMMNLNE-MRXNPFEDSA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000512659547 1033647225 /nfs/dbraw/zinc/64/72/25/1033647225.db2.gz HWGPHBIEAGRYMN-HZPDHXFCSA-N 1 1 348.425 4.354 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1F ZINC000512661344 1033652730 /nfs/dbraw/zinc/65/27/30/1033652730.db2.gz RFTKYTXJKAOGPX-CQSZACIVSA-N 1 1 339.414 4.265 20 30 EIEDMO CCOc1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542317272 1033840773 /nfs/dbraw/zinc/84/07/73/1033840773.db2.gz VHIBHXMXKPLLLD-UHFFFAOYSA-N 1 1 336.435 4.000 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000411492506 1033933496 /nfs/dbraw/zinc/93/34/96/1033933496.db2.gz WRGGDLZZSTYUJW-ZDUSSCGKSA-N 1 1 329.425 4.183 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000411492506 1033933506 /nfs/dbraw/zinc/93/35/06/1033933506.db2.gz WRGGDLZZSTYUJW-ZDUSSCGKSA-N 1 1 329.425 4.183 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OC ZINC000509818906 1034051342 /nfs/dbraw/zinc/05/13/42/1034051342.db2.gz IXCAPRIXTCFIQF-QGZVFWFLSA-N 1 1 342.439 4.284 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OC ZINC000509818906 1034051358 /nfs/dbraw/zinc/05/13/58/1034051358.db2.gz IXCAPRIXTCFIQF-QGZVFWFLSA-N 1 1 342.439 4.284 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC#N)cc1 ZINC000729266757 1034767664 /nfs/dbraw/zinc/76/76/64/1034767664.db2.gz CMEBVRLAAVACNY-UHFFFAOYSA-N 1 1 332.856 4.492 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC#N)cc1 ZINC000729266757 1034767673 /nfs/dbraw/zinc/76/76/73/1034767673.db2.gz CMEBVRLAAVACNY-UHFFFAOYSA-N 1 1 332.856 4.492 20 30 EIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267404 1034768540 /nfs/dbraw/zinc/76/85/40/1034768540.db2.gz VEAFWAZNYVKOLU-NRFANRHFSA-N 1 1 336.435 4.325 20 30 EIEDMO COc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513354037 1034888822 /nfs/dbraw/zinc/88/88/22/1034888822.db2.gz YHKBTCHIOOGMQD-VQIMIIECSA-N 1 1 335.451 4.032 20 30 EIEDMO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC000513524378 1035006001 /nfs/dbraw/zinc/00/60/01/1035006001.db2.gz GGTIAKAJGBFMMA-UHFFFAOYSA-N 1 1 341.252 4.408 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000501575345 1035471969 /nfs/dbraw/zinc/47/19/69/1035471969.db2.gz MOAOQBSIGCRWDL-UHFFFAOYSA-N 1 1 349.544 4.100 20 30 EIEDMO COc1sc(C[NH2+]CC2(C#N)CCCCC2)cc1Br ZINC000594981263 1035513666 /nfs/dbraw/zinc/51/36/66/1035513666.db2.gz MPZVQFFKKOXJJY-UHFFFAOYSA-N 1 1 343.290 4.083 20 30 EIEDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981318 1035516404 /nfs/dbraw/zinc/51/64/04/1035516404.db2.gz NBQHLNUGMGAKJZ-UHFFFAOYSA-N 1 1 328.485 4.145 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595383469 1035669634 /nfs/dbraw/zinc/66/96/34/1035669634.db2.gz OOWXKSZLZLWLJD-KRWDZBQOSA-N 1 1 325.481 4.129 20 30 EIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000595482672 1035679095 /nfs/dbraw/zinc/67/90/95/1035679095.db2.gz UGJYSSGJTXPFQT-GOSISDBHSA-N 1 1 349.478 4.148 20 30 EIEDMO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(OCc2ccccc2)n1 ZINC000595623335 1035736948 /nfs/dbraw/zinc/73/69/48/1035736948.db2.gz NIHZCYXNBBZAEC-IBGZPJMESA-N 1 1 349.478 4.403 20 30 EIEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(OCc2ccccc2)n1 ZINC000595623335 1035736963 /nfs/dbraw/zinc/73/69/63/1035736963.db2.gz NIHZCYXNBBZAEC-IBGZPJMESA-N 1 1 349.478 4.403 20 30 EIEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602881 1035744928 /nfs/dbraw/zinc/74/49/28/1035744928.db2.gz XMMNSDKBRABXNX-HUUCEWRRSA-N 1 1 333.501 4.140 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC4(CCCC4)CC3)o2)cc1 ZINC000595643328 1035753737 /nfs/dbraw/zinc/75/37/37/1035753737.db2.gz XPZLGJUAKCPEIT-UHFFFAOYSA-N 1 1 336.439 4.155 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790208 1035791601 /nfs/dbraw/zinc/79/16/01/1035791601.db2.gz VBOZXQILEPVZBU-AZUAARDMSA-N 1 1 326.484 4.269 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1=CCSC1 ZINC000595887973 1035802205 /nfs/dbraw/zinc/80/22/05/1035802205.db2.gz JWSQLIPCOSJAFF-UHFFFAOYSA-N 1 1 348.515 4.491 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126563 1035807050 /nfs/dbraw/zinc/80/70/50/1035807050.db2.gz WHNLRFVQUCGRMS-FKBYEOEOSA-N 1 1 332.447 4.361 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491117444 1035811920 /nfs/dbraw/zinc/81/19/20/1035811920.db2.gz XSVHZPQTTMRRKC-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491117444 1035811924 /nfs/dbraw/zinc/81/19/24/1035811924.db2.gz XSVHZPQTTMRRKC-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000905775518 1035882503 /nfs/dbraw/zinc/88/25/03/1035882503.db2.gz BNLWDZDRZOVSMP-AWEZNQCLSA-N 1 1 342.240 4.135 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000420994709 1035925432 /nfs/dbraw/zinc/92/54/32/1035925432.db2.gz NMDPUZXKRYLXMK-FQEVSTJZSA-N 1 1 332.447 4.105 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000571486208 1036054980 /nfs/dbraw/zinc/05/49/80/1036054980.db2.gz VDGMDGJORDVEHF-UHFFFAOYSA-N 1 1 337.341 4.266 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000571490384 1036057113 /nfs/dbraw/zinc/05/71/13/1036057113.db2.gz ZDRLXOBGAIQKQP-FQEVSTJZSA-N 1 1 333.435 4.114 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596995496 1036072162 /nfs/dbraw/zinc/07/21/62/1036072162.db2.gz IKJVYHBLYQRQNY-HXUWFJFHSA-N 1 1 330.472 4.006 20 30 EIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000597137695 1036119932 /nfs/dbraw/zinc/11/99/32/1036119932.db2.gz XLDVVQSXJTTZMO-IBGZPJMESA-N 1 1 340.854 4.061 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1OC ZINC000045004555 1036134086 /nfs/dbraw/zinc/13/40/86/1036134086.db2.gz SWTXIDCFCPNLGO-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1OC ZINC000045004555 1036134121 /nfs/dbraw/zinc/13/41/21/1036134121.db2.gz SWTXIDCFCPNLGO-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174748 1036141899 /nfs/dbraw/zinc/14/18/99/1036141899.db2.gz UPGXTIMCEIWYIL-GOSISDBHSA-N 1 1 342.483 4.257 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597176527 1036142380 /nfs/dbraw/zinc/14/23/80/1036142380.db2.gz IINLIBHIHTYEIA-CQSZACIVSA-N 1 1 348.372 4.017 20 30 EIEDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174750 1036143793 /nfs/dbraw/zinc/14/37/93/1036143793.db2.gz UPGXTIMCEIWYIL-SFHVURJKSA-N 1 1 342.483 4.257 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC001168381202 1036173873 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4.059 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000489503959 1038089716 /nfs/dbraw/zinc/08/97/16/1038089716.db2.gz ZUUUMPXLTVNFCY-MRXNPFEDSA-N 1 1 340.423 4.059 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc2c(cccc2F)n1CC ZINC000489544592 1038103525 /nfs/dbraw/zinc/10/35/25/1038103525.db2.gz CUALQJCBMVPEDL-UHFFFAOYSA-N 1 1 337.442 4.426 20 30 EIEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653012 1038116229 /nfs/dbraw/zinc/11/62/29/1038116229.db2.gz WCCCWTJGGVGSPE-UHFFFAOYSA-N 1 1 328.847 4.008 20 30 EIEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000593944685 1038203754 /nfs/dbraw/zinc/20/37/54/1038203754.db2.gz ZWHAWANAVXBRCU-GOSISDBHSA-N 1 1 332.407 4.487 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000594498186 1038345740 /nfs/dbraw/zinc/34/57/40/1038345740.db2.gz NMVXXJVCWUWKJQ-UHFFFAOYSA-N 1 1 337.448 4.494 20 30 EIEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC12CCOCC2 ZINC000594605893 1038381097 /nfs/dbraw/zinc/38/10/97/1038381097.db2.gz FQFBQLOBCGWAGI-IBGZPJMESA-N 1 1 326.484 4.125 20 30 EIEDMO C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001168405091 1038383309 /nfs/dbraw/zinc/38/33/09/1038383309.db2.gz WTYJBYIJZCQKOH-OTWHNJEPSA-N 1 1 348.531 4.195 20 30 EIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000594733980 1038396204 /nfs/dbraw/zinc/39/62/04/1038396204.db2.gz MLRNEZDVQQGCFC-STQMWFEESA-N 1 1 341.282 4.211 20 30 EIEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814796 1038459650 /nfs/dbraw/zinc/45/96/50/1038459650.db2.gz JZGISHNQOSTAMD-BBRMVZONSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1F ZINC000594941921 1038508947 /nfs/dbraw/zinc/50/89/47/1038508947.db2.gz CFPPDIUYXQZQDP-GFCCVEGCSA-N 1 1 328.362 4.228 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](Cc2ccc(C)cc2)c2ccc(C)cc2)nn1 ZINC000424295540 1038771060 /nfs/dbraw/zinc/77/10/60/1038771060.db2.gz MXSWHPJMNIPKPN-JOCHJYFZSA-N 1 1 346.478 4.155 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(C)c(C)c2)nn1 ZINC000424298677 1038773426 /nfs/dbraw/zinc/77/34/26/1038773426.db2.gz SYVAQRDKNUBXTC-QFIPXVFZSA-N 1 1 346.478 4.155 20 30 EIEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000424331863 1038809412 /nfs/dbraw/zinc/80/94/12/1038809412.db2.gz BBWTYVPHJSALQK-SFHVURJKSA-N 1 1 348.406 4.009 20 30 EIEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128993 1038857622 /nfs/dbraw/zinc/85/76/22/1038857622.db2.gz FJPNGKGNHUXLAS-WMZOPIPTSA-N 1 1 338.854 4.087 20 30 EIEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128993 1038857628 /nfs/dbraw/zinc/85/76/28/1038857628.db2.gz FJPNGKGNHUXLAS-WMZOPIPTSA-N 1 1 338.854 4.087 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1sccc1C ZINC000137252831 1038873496 /nfs/dbraw/zinc/87/34/96/1038873496.db2.gz DEXZPMVHRBUSOM-UHFFFAOYSA-N 1 1 346.521 4.405 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1sccc1C ZINC000137252831 1038873502 /nfs/dbraw/zinc/87/35/02/1038873502.db2.gz DEXZPMVHRBUSOM-UHFFFAOYSA-N 1 1 346.521 4.405 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000505001033 1038877293 /nfs/dbraw/zinc/87/72/93/1038877293.db2.gz NNEAFPJBDVICNX-GOSISDBHSA-N 1 1 343.515 4.295 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000505034628 1038905870 /nfs/dbraw/zinc/90/58/70/1038905870.db2.gz FMFFGYYBUCMWDN-AEFFLSMTSA-N 1 1 329.488 4.142 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000505036835 1038910587 /nfs/dbraw/zinc/91/05/87/1038910587.db2.gz ZYOBIAUWLAXFNB-DLBZAZTESA-N 1 1 329.488 4.047 20 30 EIEDMO CC[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619934 1038955871 /nfs/dbraw/zinc/95/58/71/1038955871.db2.gz NJZVXIIREPACDR-GHTZIAJQSA-N 1 1 344.462 4.222 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424689658 1039014875 /nfs/dbraw/zinc/01/48/75/1039014875.db2.gz XGKXTSUHQTUYCX-IEBWSBKVSA-N 1 1 328.500 4.100 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000058013807 1039029303 /nfs/dbraw/zinc/02/93/03/1039029303.db2.gz JSADNKYAJCNBQP-UHFFFAOYSA-N 1 1 336.479 4.132 20 30 EIEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000552218959 1039266266 /nfs/dbraw/zinc/26/62/66/1039266266.db2.gz BUHHYTYRROPHRX-QWHCGFSZSA-N 1 1 341.282 4.233 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000600167785 1039339727 /nfs/dbraw/zinc/33/97/27/1039339727.db2.gz XWIHKHLYNUVBJA-OAHLLOKOSA-N 1 1 336.435 4.301 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100612 1039342050 /nfs/dbraw/zinc/34/20/50/1039342050.db2.gz OQSWIJCBZXIPLT-AWEZNQCLSA-N 1 1 335.373 4.328 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000600178801 1039354291 /nfs/dbraw/zinc/35/42/91/1039354291.db2.gz POINQMIXLBDDLP-AWEZNQCLSA-N 1 1 334.847 4.039 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000600178801 1039354304 /nfs/dbraw/zinc/35/43/04/1039354304.db2.gz POINQMIXLBDDLP-AWEZNQCLSA-N 1 1 334.847 4.039 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)CCC#N ZINC000092078514 1039461259 /nfs/dbraw/zinc/46/12/59/1039461259.db2.gz CAIKCBPPIFZREL-UHFFFAOYSA-N 1 1 342.462 4.410 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092757851 1039580729 /nfs/dbraw/zinc/58/07/29/1039580729.db2.gz CQGSLHNVCAQSQG-HXUWFJFHSA-N 1 1 335.451 4.056 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1OCCCC#N ZINC000092781231 1039585318 /nfs/dbraw/zinc/58/53/18/1039585318.db2.gz HSSXACTZEWMEKQ-SFHVURJKSA-N 1 1 328.456 4.142 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706861 1039818712 /nfs/dbraw/zinc/81/87/12/1039818712.db2.gz OMXAHFHNAJNCTJ-OAHLLOKOSA-N 1 1 339.439 4.016 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706861 1039818717 /nfs/dbraw/zinc/81/87/17/1039818717.db2.gz OMXAHFHNAJNCTJ-OAHLLOKOSA-N 1 1 339.439 4.016 20 30 EIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903900 1039847242 /nfs/dbraw/zinc/84/72/42/1039847242.db2.gz HWXHXSZVKVIEKL-HNNXBMFYSA-N 1 1 326.415 4.017 20 30 EIEDMO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1F ZINC000593062534 1040165108 /nfs/dbraw/zinc/16/51/08/1040165108.db2.gz ZSUANNRXFJKIGM-INIZCTEOSA-N 1 1 345.443 4.055 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000514774764 1040222078 /nfs/dbraw/zinc/22/20/78/1040222078.db2.gz PRCYLBATFIKFCG-UHFFFAOYSA-N 1 1 342.364 4.241 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000514774764 1040222083 /nfs/dbraw/zinc/22/20/83/1040222083.db2.gz PRCYLBATFIKFCG-UHFFFAOYSA-N 1 1 342.364 4.241 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000425364638 1040334870 /nfs/dbraw/zinc/33/48/70/1040334870.db2.gz GTXLDYISOBIMPG-SUMWQHHRSA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000425364638 1040334890 /nfs/dbraw/zinc/33/48/90/1040334890.db2.gz GTXLDYISOBIMPG-SUMWQHHRSA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369216 1040355861 /nfs/dbraw/zinc/35/58/61/1040355861.db2.gz ZIXWUEOMZRFIOK-AWEZNQCLSA-N 1 1 336.464 4.213 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000539467199 1040460901 /nfs/dbraw/zinc/46/09/01/1040460901.db2.gz VOIPUUVBWNGNNU-OTWHNJEPSA-N 1 1 335.536 4.027 20 30 EIEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)C2CCCCC2)cc1OC ZINC000539491028 1040476118 /nfs/dbraw/zinc/47/61/18/1040476118.db2.gz ZBLFEOZGLUJELY-UHFFFAOYSA-N 1 1 328.456 4.142 20 30 EIEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000154758719 1040523526 /nfs/dbraw/zinc/52/35/26/1040523526.db2.gz KHQYTRAWCFMBNL-UHFFFAOYSA-N 1 1 347.256 4.041 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553864462 1040595161 /nfs/dbraw/zinc/59/51/61/1040595161.db2.gz ZQKLSKRCQSREJG-HXUWFJFHSA-N 1 1 342.870 4.026 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553864461 1040595657 /nfs/dbraw/zinc/59/56/57/1040595657.db2.gz ZQKLSKRCQSREJG-FQEVSTJZSA-N 1 1 342.870 4.026 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255911 1040637820 /nfs/dbraw/zinc/63/78/20/1040637820.db2.gz GKOXGXKDCULORC-CZUORRHYSA-N 1 1 348.372 4.172 20 30 EIEDMO Cn1cc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000483157767 1040746808 /nfs/dbraw/zinc/74/68/08/1040746808.db2.gz MTJZJRMMGBEOPZ-UHFFFAOYSA-N 1 1 325.431 4.023 20 30 EIEDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cc1C#N ZINC000483307341 1040812853 /nfs/dbraw/zinc/81/28/53/1040812853.db2.gz HDGIVWBKUFNENP-KBOKABMXSA-N 1 1 325.481 4.416 20 30 EIEDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)cc1C#N ZINC000483307342 1040813091 /nfs/dbraw/zinc/81/30/91/1040813091.db2.gz HDGIVWBKUFNENP-XZVRFQMRSA-N 1 1 325.481 4.416 20 30 EIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000515503001 1040825047 /nfs/dbraw/zinc/82/50/47/1040825047.db2.gz WCKJSEGIJFYTOC-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000483435193 1040859124 /nfs/dbraw/zinc/85/91/24/1040859124.db2.gz WZKLKYDVKVFJCN-UHFFFAOYSA-N 1 1 328.437 4.191 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000539887430 1040868491 /nfs/dbraw/zinc/86/84/91/1040868491.db2.gz PFNRDYVZSHLFRN-SFHVURJKSA-N 1 1 348.368 4.415 20 30 EIEDMO CC[N@H+](CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1)CC1CC1 ZINC000540047065 1041051343 /nfs/dbraw/zinc/05/13/43/1041051343.db2.gz NBJVUOUUOPFEEH-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CC[N@@H+](CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1)CC1CC1 ZINC000540047065 1041051363 /nfs/dbraw/zinc/05/13/63/1041051363.db2.gz NBJVUOUUOPFEEH-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000483888025 1041060038 /nfs/dbraw/zinc/06/00/38/1041060038.db2.gz SUJAKDBREILVSD-IBGZPJMESA-N 1 1 349.563 4.419 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982945 1041082086 /nfs/dbraw/zinc/08/20/86/1041082086.db2.gz VYGCTSNCKSDAIU-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982945 1041082107 /nfs/dbraw/zinc/08/21/07/1041082107.db2.gz VYGCTSNCKSDAIU-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1F ZINC000484091175 1041114946 /nfs/dbraw/zinc/11/49/46/1041114946.db2.gz AZQCEHXGGPEPBE-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO Cc1cccc(COc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)c1 ZINC000554487784 1041181697 /nfs/dbraw/zinc/18/16/97/1041181697.db2.gz LABCWTFQJXJSFQ-HXUWFJFHSA-N 1 1 333.435 4.107 20 30 EIEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OCc1ccccc1 ZINC000538223404 1041186305 /nfs/dbraw/zinc/18/63/05/1041186305.db2.gz LNVUPYLMTMJGHC-IEBWSBKVSA-N 1 1 333.435 4.360 20 30 EIEDMO CC1(C)C[C@H](c2ccccc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000425548836 1041239250 /nfs/dbraw/zinc/23/92/50/1041239250.db2.gz XECUFYJPYFTKCG-MRXNPFEDSA-N 1 1 339.464 4.031 20 30 EIEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000425548836 1041239266 /nfs/dbraw/zinc/23/92/66/1041239266.db2.gz XECUFYJPYFTKCG-MRXNPFEDSA-N 1 1 339.464 4.031 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000463083389 1041334708 /nfs/dbraw/zinc/33/47/08/1041334708.db2.gz GFCIQJMXIXIQIK-OAHLLOKOSA-N 1 1 325.843 4.095 20 30 EIEDMO Cn1nc(CCC[N@@H+](C)CCC(C)(C)C#N)cc1-c1ccc(F)cc1 ZINC000538465421 1041369083 /nfs/dbraw/zinc/36/90/83/1041369083.db2.gz XINXOSPVRXGYBB-UHFFFAOYSA-N 1 1 342.462 4.030 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000505858142 1041408958 /nfs/dbraw/zinc/40/89/58/1041408958.db2.gz BILKWDGIQUXMBN-UHFFFAOYSA-N 1 1 338.451 4.346 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1cccc(C#N)c1 ZINC000139229693 1041448439 /nfs/dbraw/zinc/44/84/39/1041448439.db2.gz MPHSVPFGMPJDKM-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO Cc1cc(Br)cc2c1C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000540426016 1041451794 /nfs/dbraw/zinc/45/17/94/1041451794.db2.gz QUMCQCULZFJRTH-UHFFFAOYSA-N 1 1 335.289 4.446 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc1OC ZINC000538718054 1041488489 /nfs/dbraw/zinc/48/84/89/1041488489.db2.gz RRQLDBFHUCYKSN-UHFFFAOYSA-N 1 1 341.373 4.345 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc1OC ZINC000538718054 1041488494 /nfs/dbraw/zinc/48/84/94/1041488494.db2.gz RRQLDBFHUCYKSN-UHFFFAOYSA-N 1 1 341.373 4.345 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713400 1041492152 /nfs/dbraw/zinc/49/21/52/1041492152.db2.gz LYECUFXONWUJRX-ZRGWGRIASA-N 1 1 331.891 4.049 20 30 EIEDMO C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593919 1041550287 /nfs/dbraw/zinc/55/02/87/1041550287.db2.gz WJYSGCPGBHGBNL-FHWLQOOXSA-N 1 1 347.506 4.365 20 30 EIEDMO COc1cc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000538823862 1041556661 /nfs/dbraw/zinc/55/66/61/1041556661.db2.gz KCWTXEKDXAGPEE-UHFFFAOYSA-N 1 1 348.446 4.173 20 30 EIEDMO CC[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000506055792 1041819575 /nfs/dbraw/zinc/81/95/75/1041819575.db2.gz HIYIFDBAQOUKPJ-AWEZNQCLSA-N 1 1 328.378 4.346 20 30 EIEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C2CC2)cc1 ZINC000517020201 1041840111 /nfs/dbraw/zinc/84/01/11/1041840111.db2.gz AXHLFRVZRXNGRZ-AWEZNQCLSA-N 1 1 344.418 4.336 20 30 EIEDMO Cc1cc(CNc2cc(Cl)ccc2C#N)cc(N2CCCC2)[nH+]1 ZINC000517208276 1041907223 /nfs/dbraw/zinc/90/72/23/1041907223.db2.gz CBCBVBYNHFUFRE-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894210 1041952853 /nfs/dbraw/zinc/95/28/53/1041952853.db2.gz HHQCTMAUSXETQV-HUUCEWRRSA-N 1 1 340.439 4.266 20 30 EIEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000506178114 1042050141 /nfs/dbraw/zinc/05/01/41/1042050141.db2.gz HIDAJROOBFOOEE-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000506178114 1042050144 /nfs/dbraw/zinc/05/01/44/1042050144.db2.gz HIDAJROOBFOOEE-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464587138 1042076610 /nfs/dbraw/zinc/07/66/10/1042076610.db2.gz KNHIFPUYAUMQQQ-UHFFFAOYSA-N 1 1 344.499 4.266 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)c(C)c1 ZINC000541763194 1042097068 /nfs/dbraw/zinc/09/70/68/1042097068.db2.gz BTKJNUUBDUSMLF-KRWDZBQOSA-N 1 1 344.462 4.405 20 30 EIEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438341857 1042145303 /nfs/dbraw/zinc/14/53/03/1042145303.db2.gz PQDBVXMQUQUROS-LJQANCHMSA-N 1 1 336.483 4.332 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)C2CCC(C)(C)CC2)c(C#N)c1C ZINC000438494123 1042210243 /nfs/dbraw/zinc/21/02/43/1042210243.db2.gz SBMYDQKOAHWUPA-UHFFFAOYSA-N 1 1 333.501 4.076 20 30 EIEDMO N#CC1(CCC[N@H+](Cc2ccc(F)cc2F)C2CC2)CCOCC1 ZINC000282099444 1042355561 /nfs/dbraw/zinc/35/55/61/1042355561.db2.gz VZHAZVQUOXZACD-UHFFFAOYSA-N 1 1 334.410 4.030 20 30 EIEDMO C=CCc1cc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558488 1042379184 /nfs/dbraw/zinc/37/91/84/1042379184.db2.gz PQOKUPSPVRAYEK-HNNXBMFYSA-N 1 1 341.451 4.418 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491342128 1042407588 /nfs/dbraw/zinc/40/75/88/1042407588.db2.gz HSBCCIQEORGGIJ-UHFFFAOYSA-N 1 1 340.467 4.381 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491342128 1042407592 /nfs/dbraw/zinc/40/75/92/1042407592.db2.gz HSBCCIQEORGGIJ-UHFFFAOYSA-N 1 1 340.467 4.381 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491342850 1042416301 /nfs/dbraw/zinc/41/63/01/1042416301.db2.gz LCYSCHDBIINWAZ-UHFFFAOYSA-N 1 1 337.366 4.120 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc(F)cc1 ZINC000491351107 1042431295 /nfs/dbraw/zinc/43/12/95/1042431295.db2.gz RPYLFZHLSXBSIA-JOCHJYFZSA-N 1 1 346.405 4.264 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000491397945 1042439817 /nfs/dbraw/zinc/43/98/17/1042439817.db2.gz ROTOZQUQJXQLTE-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000491397945 1042439822 /nfs/dbraw/zinc/43/98/22/1042439822.db2.gz ROTOZQUQJXQLTE-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000491628109 1042483670 /nfs/dbraw/zinc/48/36/70/1042483670.db2.gz KRGUOPJDHTVMDE-JOCHJYFZSA-N 1 1 346.405 4.264 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 ZINC000491811240 1042504173 /nfs/dbraw/zinc/50/41/73/1042504173.db2.gz LGKYGNZUKFGOGI-HXUWFJFHSA-N 1 1 338.838 4.487 20 30 EIEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426374823 1042611916 /nfs/dbraw/zinc/61/19/16/1042611916.db2.gz ZCBVVMZXVYKFNW-GOSISDBHSA-N 1 1 332.369 4.233 20 30 EIEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)C(C)C ZINC000174863821 1042717278 /nfs/dbraw/zinc/71/72/78/1042717278.db2.gz OYUZJNQKIZLDPE-INIZCTEOSA-N 1 1 325.456 4.104 20 30 EIEDMO Cc1cc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)ccc1C#N ZINC000444002304 1042740714 /nfs/dbraw/zinc/74/07/14/1042740714.db2.gz JNCORARYGNOBOR-OAHLLOKOSA-N 1 1 333.218 4.397 20 30 EIEDMO CCC[N@H+](Cc1cc(C#N)cs1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426504773 1042782199 /nfs/dbraw/zinc/78/21/99/1042782199.db2.gz PKRBMPIWRHMFMT-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426504773 1042782208 /nfs/dbraw/zinc/78/22/08/1042782208.db2.gz PKRBMPIWRHMFMT-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814802 1042977810 /nfs/dbraw/zinc/97/78/10/1042977810.db2.gz JZGISHNQOSTAMD-CZUORRHYSA-N 1 1 333.863 4.051 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)c1C ZINC000494100724 1043017849 /nfs/dbraw/zinc/01/78/49/1043017849.db2.gz YZHHSXHADFQYHY-UHFFFAOYSA-N 1 1 335.451 4.087 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c1C ZINC000494100724 1043017854 /nfs/dbraw/zinc/01/78/54/1043017854.db2.gz YZHHSXHADFQYHY-UHFFFAOYSA-N 1 1 335.451 4.087 20 30 EIEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784163 1043031468 /nfs/dbraw/zinc/03/14/68/1043031468.db2.gz BXSYSVFDBUVNAP-CQSZACIVSA-N 1 1 348.244 4.212 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784163 1043031477 /nfs/dbraw/zinc/03/14/77/1043031477.db2.gz BXSYSVFDBUVNAP-CQSZACIVSA-N 1 1 348.244 4.212 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645189 1043106738 /nfs/dbraw/zinc/10/67/38/1043106738.db2.gz MHFJYHRHDXTBPV-BDTNDASRSA-N 1 1 348.490 4.298 20 30 EIEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000427659544 1043148067 /nfs/dbraw/zinc/14/80/67/1043148067.db2.gz JZXNGCOHWHWONT-FPOVZHCZSA-N 1 1 342.527 4.221 20 30 EIEDMO CC(C)[N@H+]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000507849376 1043152732 /nfs/dbraw/zinc/15/27/32/1043152732.db2.gz YZZZMXKMKFANJY-UHFFFAOYSA-N 1 1 333.479 4.141 20 30 EIEDMO CC(C)N1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000507849376 1043152734 /nfs/dbraw/zinc/15/27/34/1043152734.db2.gz YZZZMXKMKFANJY-UHFFFAOYSA-N 1 1 333.479 4.141 20 30 EIEDMO CC(C)N1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000507849376 1043152740 /nfs/dbraw/zinc/15/27/40/1043152740.db2.gz YZZZMXKMKFANJY-UHFFFAOYSA-N 1 1 333.479 4.141 20 30 EIEDMO Cc1cnn(-c2ccc([C@@H](C)[NH2+]Cc3ccccc3C#N)cc2F)c1 ZINC000162965734 1043185262 /nfs/dbraw/zinc/18/52/62/1043185262.db2.gz GZEURXHNYFBFGT-OAHLLOKOSA-N 1 1 334.398 4.042 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557715 1043318287 /nfs/dbraw/zinc/31/82/87/1043318287.db2.gz GLIJHRCIZRKLGB-LEWJYISDSA-N 1 1 341.401 4.168 20 30 EIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccc(OCC#N)cc1 ZINC000731212917 1043714703 /nfs/dbraw/zinc/71/47/03/1043714703.db2.gz XANBXOPFGHPBPQ-UHFFFAOYSA-N 1 1 330.431 4.417 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731658045 1043809730 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EIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732987229 1044063517 /nfs/dbraw/zinc/06/35/17/1044063517.db2.gz RKLVERFUHLHDNY-LJQANCHMSA-N 1 1 328.362 4.052 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543187771 1044066272 /nfs/dbraw/zinc/06/62/72/1044066272.db2.gz IXJBZKBAHIFWCK-UHFFFAOYSA-N 1 1 332.447 4.441 20 30 EIEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206845 1044133068 /nfs/dbraw/zinc/13/30/68/1044133068.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206845 1044133182 /nfs/dbraw/zinc/13/31/82/1044133182.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206845 1044133214 /nfs/dbraw/zinc/13/32/14/1044133214.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 1 1 347.506 4.238 20 30 EIEDMO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000173949491 1044196764 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CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000494971050 1044551489 /nfs/dbraw/zinc/55/14/89/1044551489.db2.gz DWVPMHRPZJRNRU-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO COCC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000542529294 1044552921 /nfs/dbraw/zinc/55/29/21/1044552921.db2.gz WDXOQHFTEZDZFR-MRXNPFEDSA-N 1 1 337.341 4.017 20 30 EIEDMO C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644951 1044602196 /nfs/dbraw/zinc/60/21/96/1044602196.db2.gz ZOVRZXRHSUDYJB-SJORKVTESA-N 1 1 337.467 4.106 20 30 EIEDMO C=CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049218 1044614391 /nfs/dbraw/zinc/61/43/91/1044614391.db2.gz QZBUYRIFGKSAPV-YADHBBJMSA-N 1 1 348.490 4.127 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491809 1044649079 /nfs/dbraw/zinc/64/90/79/1044649079.db2.gz GGJKIGHCFKLYLT-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491809 1044649098 /nfs/dbraw/zinc/64/90/98/1044649098.db2.gz GGJKIGHCFKLYLT-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491809 1044649118 /nfs/dbraw/zinc/64/91/18/1044649118.db2.gz GGJKIGHCFKLYLT-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000118392831 1044668007 /nfs/dbraw/zinc/66/80/07/1044668007.db2.gz YGESNACWNWXNAI-ZDUSSCGKSA-N 1 1 346.377 4.361 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000428865695 1044768288 /nfs/dbraw/zinc/76/82/88/1044768288.db2.gz WZUKUEYBAXFYAY-OAHLLOKOSA-N 1 1 341.480 4.420 20 30 EIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306496 1044782885 /nfs/dbraw/zinc/78/28/85/1044782885.db2.gz OIIFWTXMMSDNQE-CQSZACIVSA-N 1 1 344.842 4.444 20 30 EIEDMO Cc1ccc(C[N@H+](Cc2cc(Cl)ccc2OCC#N)C2CC2)o1 ZINC000735308209 1044784025 /nfs/dbraw/zinc/78/40/25/1044784025.db2.gz FPLZPLBNTTVVFJ-UHFFFAOYSA-N 1 1 330.815 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C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496350399 1045912131 /nfs/dbraw/zinc/91/21/31/1045912131.db2.gz WIZUBKGQVPBMKQ-SJORKVTESA-N 1 1 349.519 4.086 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496350396 1045913520 /nfs/dbraw/zinc/91/35/20/1045913520.db2.gz WIZUBKGQVPBMKQ-IAGOWNOFSA-N 1 1 349.519 4.086 20 30 EIEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769318054 1045919507 /nfs/dbraw/zinc/91/95/07/1045919507.db2.gz HIXSKXCOONLOHC-WIYYLYMNSA-N 1 1 334.463 4.493 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000769388672 1045947067 /nfs/dbraw/zinc/94/70/67/1045947067.db2.gz XDVNFIMQGUJKJD-UHFFFAOYSA-N 1 1 339.870 4.248 20 30 EIEDMO C=CCCCNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001170296447 1045979883 /nfs/dbraw/zinc/97/98/83/1045979883.db2.gz JKHNNARSFSGEMR-UHFFFAOYSA-N 1 1 332.524 4.122 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000769471697 1045984677 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20 30 EIEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369672 1046017070 /nfs/dbraw/zinc/01/70/70/1046017070.db2.gz YRNZAXNEWHCGBJ-UHFFFAOYSA-N 1 1 342.483 4.100 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769549735 1046017869 /nfs/dbraw/zinc/01/78/69/1046017869.db2.gz UUYAHSRMXKQWGK-QZTJIDSGSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769549735 1046017883 /nfs/dbraw/zinc/01/78/83/1046017883.db2.gz UUYAHSRMXKQWGK-QZTJIDSGSA-N 1 1 326.827 4.317 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001170387435 1046026193 /nfs/dbraw/zinc/02/61/93/1046026193.db2.gz UOZWMPAXIFMOKQ-JSRJAPPDSA-N 1 1 331.463 4.275 20 30 EIEDMO COCC[C@@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386766 1046026911 /nfs/dbraw/zinc/02/69/11/1046026911.db2.gz LORMAPXXWUGCJZ-MWXLCCTBSA-N 1 1 326.484 4.282 20 30 EIEDMO CCC[N@H+](CCCN(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397889 1046031842 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EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2cc(Cl)cnc2o1 ZINC000648581331 1046221691 /nfs/dbraw/zinc/22/16/91/1046221691.db2.gz LNDNXECFTMTWCX-UHFFFAOYSA-N 1 1 346.814 4.145 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2cc(Cl)cnc2o1 ZINC000648581331 1046221698 /nfs/dbraw/zinc/22/16/98/1046221698.db2.gz LNDNXECFTMTWCX-UHFFFAOYSA-N 1 1 346.814 4.145 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000124862504 1046270979 /nfs/dbraw/zinc/27/09/79/1046270979.db2.gz PEXXDLCXVXVMEJ-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000124862504 1046270993 /nfs/dbraw/zinc/27/09/93/1046270993.db2.gz PEXXDLCXVXVMEJ-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO C=CC[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000628486588 1046273209 /nfs/dbraw/zinc/27/32/09/1046273209.db2.gz LZHWGOCWDTXCAW-LJQANCHMSA-N 1 1 348.490 4.357 20 30 EIEDMO N#CC1(CCC[N@@H+](Cc2ccco2)Cc2ccccc2)CCOCC1 ZINC000282072928 1046358874 /nfs/dbraw/zinc/35/88/74/1046358874.db2.gz TTXNDDNCGPHLHP-UHFFFAOYSA-N 1 1 338.451 4.382 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000271968087 1046385246 /nfs/dbraw/zinc/38/52/46/1046385246.db2.gz MMIPBDNZSCGZNS-OAHLLOKOSA-N 1 1 326.465 4.194 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cccc(F)c1 ZINC000916986581 1046527357 /nfs/dbraw/zinc/52/73/57/1046527357.db2.gz KTKZTFKINHCYBG-OAHLLOKOSA-N 1 1 325.836 4.262 20 30 EIEDMO CCCCCCCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534323 1046576754 /nfs/dbraw/zinc/57/67/54/1046576754.db2.gz HTHRRAALCOAJCV-JOCHJYFZSA-N 1 1 342.527 4.472 20 30 EIEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127161473 1046622386 /nfs/dbraw/zinc/62/23/86/1046622386.db2.gz NJALFRJSXFJEAN-QGZVFWFLSA-N 1 1 348.450 4.025 20 30 EIEDMO C=CC[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C(C)C ZINC000917069509 1046645321 /nfs/dbraw/zinc/64/53/21/1046645321.db2.gz QLCNLTIDZJWJOC-NRFANRHFSA-N 1 1 339.479 4.050 20 30 EIEDMO C=CCc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc(OC)c1O ZINC000536681652 1046646867 /nfs/dbraw/zinc/64/68/67/1046646867.db2.gz PJIAFMDOTIJDEV-IBGZPJMESA-N 1 1 345.483 4.053 20 30 EIEDMO C=CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C(C)C ZINC000917070447 1046649424 /nfs/dbraw/zinc/64/94/24/1046649424.db2.gz BONYBNBVXULCBV-UHFFFAOYSA-N 1 1 325.334 4.152 20 30 EIEDMO C=CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C(C)C ZINC000917070447 1046649435 /nfs/dbraw/zinc/64/94/35/1046649435.db2.gz BONYBNBVXULCBV-UHFFFAOYSA-N 1 1 325.334 4.152 20 30 EIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000536669939 1046650829 /nfs/dbraw/zinc/65/08/29/1046650829.db2.gz FUNROQFNHYNARX-HNAYVOBHSA-N 1 1 348.450 4.335 20 30 EIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000536669939 1046650841 /nfs/dbraw/zinc/65/08/41/1046650841.db2.gz FUNROQFNHYNARX-HNAYVOBHSA-N 1 1 348.450 4.335 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c(F)c1 ZINC000191354657 1046680951 /nfs/dbraw/zinc/68/09/51/1046680951.db2.gz JVGRESROBDAUAA-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c(F)c1 ZINC000191354657 1046680958 /nfs/dbraw/zinc/68/09/58/1046680958.db2.gz JVGRESROBDAUAA-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459539493 1046763683 /nfs/dbraw/zinc/76/36/83/1046763683.db2.gz KBQCZPBEEHXSGU-HXUWFJFHSA-N 1 1 338.426 4.081 20 30 EIEDMO CCN(C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)C1CCCCC1 ZINC000497618239 1046895211 /nfs/dbraw/zinc/89/52/11/1046895211.db2.gz LURLMWAEFOECMV-QGZVFWFLSA-N 1 1 341.499 4.122 20 30 EIEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000746665508 1046976355 /nfs/dbraw/zinc/97/63/55/1046976355.db2.gz CKCNJFPZQXYMCE-JKSUJKDBSA-N 1 1 337.508 4.084 20 30 EIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000787322808 1046992839 /nfs/dbraw/zinc/99/28/39/1046992839.db2.gz TWUSYTLRLDUNAF-CQSZACIVSA-N 1 1 346.780 4.405 20 30 EIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000787322808 1046992816 /nfs/dbraw/zinc/99/28/16/1046992816.db2.gz TWUSYTLRLDUNAF-CQSZACIVSA-N 1 1 346.780 4.405 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccc(OCC#N)cc1 ZINC000805749549 1046999588 /nfs/dbraw/zinc/99/95/88/1046999588.db2.gz YONZNXTUUFIDAD-SJORKVTESA-N 1 1 346.434 4.186 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1nccn1-c1ccccc1 ZINC000805749547 1047000844 /nfs/dbraw/zinc/00/08/44/1047000844.db2.gz YONZNXTUUFIDAD-IAGOWNOFSA-N 1 1 346.434 4.186 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203668 1047037118 /nfs/dbraw/zinc/03/71/18/1047037118.db2.gz JZGJPHGRZCABPU-GCJKJVERSA-N 1 1 349.478 4.302 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OCC(C)(C)CCC#N)cc1)C(C)C ZINC000805948928 1047059821 /nfs/dbraw/zinc/05/98/21/1047059821.db2.gz KWJRHBNWLWCQEG-UHFFFAOYSA-N 1 1 330.472 4.404 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCCCCC#N ZINC000805947273 1047060825 /nfs/dbraw/zinc/06/08/25/1047060825.db2.gz LFGRGCOVZSYUJT-IBGZPJMESA-N 1 1 342.483 4.304 20 30 EIEDMO N#Cc1ccc(CC2CC[NH+](Cc3c(F)ccc(F)c3F)CC2)cc1 ZINC001137930350 1047077095 /nfs/dbraw/zinc/07/70/95/1047077095.db2.gz LVFARPWRQGZWKT-UHFFFAOYSA-N 1 1 344.380 4.430 20 30 EIEDMO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000806134752 1047127478 /nfs/dbraw/zinc/12/74/78/1047127478.db2.gz BPIUBJIVSUYVQE-GOSISDBHSA-N 1 1 341.499 4.375 20 30 EIEDMO C#CCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCCC1 ZINC000788219054 1047135161 /nfs/dbraw/zinc/13/51/61/1047135161.db2.gz ZSDJEBTUKXJKAS-WOJBJXKFSA-N 1 1 344.543 4.073 20 30 EIEDMO COc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cc1C#N ZINC000746742166 1047153272 /nfs/dbraw/zinc/15/32/72/1047153272.db2.gz QHUJWQKHYHISEQ-UHFFFAOYSA-N 1 1 341.461 4.042 20 30 EIEDMO COc1cc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)ccc1Cl ZINC000788472534 1047198226 /nfs/dbraw/zinc/19/82/26/1047198226.db2.gz WLZFKJZZHCNPBL-UHFFFAOYSA-N 1 1 332.835 4.034 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000788751766 1047285812 /nfs/dbraw/zinc/28/58/12/1047285812.db2.gz AONLAYRFPZGHIO-ADLMAVQZSA-N 1 1 347.365 4.423 20 30 EIEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000763425645 1047306630 /nfs/dbraw/zinc/30/66/30/1047306630.db2.gz LYUBDXBNXSVUKG-UHFFFAOYSA-N 1 1 347.466 4.327 20 30 EIEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000918064487 1047311375 /nfs/dbraw/zinc/31/13/75/1047311375.db2.gz SDZBJLGOZYNGOA-GOSISDBHSA-N 1 1 343.515 4.025 20 30 EIEDMO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000556124904 1047465272 /nfs/dbraw/zinc/46/52/72/1047465272.db2.gz DIELKQMRYLHEPK-QMMMGPOBSA-N 1 1 325.243 4.239 20 30 EIEDMO C=C(C)CN(C)C(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000498293740 1047508785 /nfs/dbraw/zinc/50/87/85/1047508785.db2.gz WQEPXQOHEAFHCK-UHFFFAOYSA-N 1 1 331.504 4.026 20 30 EIEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000532965734 1047607578 /nfs/dbraw/zinc/60/75/78/1047607578.db2.gz QIOLKNSKZIGGAW-LLVKDONJSA-N 1 1 327.255 4.218 20 30 EIEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919626 1047692662 /nfs/dbraw/zinc/69/26/62/1047692662.db2.gz SGWCZGGVRZPUKD-KNKQGSTJSA-N 1 1 348.490 4.298 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccc(F)c(F)c1 ZINC000130455095 1047712078 /nfs/dbraw/zinc/71/20/78/1047712078.db2.gz JPQRTWFAUCVPMM-UHFFFAOYSA-N 1 1 330.378 4.279 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532479 1047811039 /nfs/dbraw/zinc/81/10/39/1047811039.db2.gz SXDAMWGIFXRRRT-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000824522627 1047880569 /nfs/dbraw/zinc/88/05/69/1047880569.db2.gz ZEMGSSFJXXKHBF-LJQANCHMSA-N 1 1 327.472 4.467 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000824522626 1047881526 /nfs/dbraw/zinc/88/15/26/1047881526.db2.gz ZEMGSSFJXXKHBF-IBGZPJMESA-N 1 1 327.472 4.467 20 30 EIEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808449473 1047914510 /nfs/dbraw/zinc/91/45/10/1047914510.db2.gz UWEAKIORDZJQHB-FCHUYYIVSA-N 1 1 328.415 4.123 20 30 EIEDMO N#Cc1cccc2c1CC[C@H]2Nc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001171065351 1047929056 /nfs/dbraw/zinc/92/90/56/1047929056.db2.gz XBNQKCXBZFLFHA-LJQANCHMSA-N 1 1 328.419 4.413 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000499055610 1048136748 /nfs/dbraw/zinc/13/67/48/1048136748.db2.gz NRRKXGHGTRXUNI-INIZCTEOSA-N 1 1 334.529 4.306 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000499055610 1048136764 /nfs/dbraw/zinc/13/67/64/1048136764.db2.gz NRRKXGHGTRXUNI-INIZCTEOSA-N 1 1 334.529 4.306 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001143791043 1048207210 /nfs/dbraw/zinc/20/72/10/1048207210.db2.gz CKSIKVRYMMCGLE-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001143791043 1048207226 /nfs/dbraw/zinc/20/72/26/1048207226.db2.gz CKSIKVRYMMCGLE-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO CCOc1c(Cl)ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001143830965 1048226247 /nfs/dbraw/zinc/22/62/47/1048226247.db2.gz BSCNRGYOVUFIMX-UHFFFAOYSA-N 1 1 332.806 4.381 20 30 EIEDMO CCOc1c(Cl)ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001143830965 1048226258 /nfs/dbraw/zinc/22/62/58/1048226258.db2.gz BSCNRGYOVUFIMX-UHFFFAOYSA-N 1 1 332.806 4.381 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000556956821 1048306494 /nfs/dbraw/zinc/30/64/94/1048306494.db2.gz ROVDOGMOVRFKEI-CQSZACIVSA-N 1 1 348.899 4.094 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000556956821 1048306507 /nfs/dbraw/zinc/30/65/07/1048306507.db2.gz ROVDOGMOVRFKEI-CQSZACIVSA-N 1 1 348.899 4.094 20 30 EIEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000815060905 1048313341 /nfs/dbraw/zinc/31/33/41/1048313341.db2.gz FSAZULNJMMFKMH-PMPSAXMXSA-N 1 1 334.895 4.330 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@@H+](CCC#N)CC(C)C ZINC000919944181 1048327037 /nfs/dbraw/zinc/32/70/37/1048327037.db2.gz WFPKZFFDQHJPAZ-UHFFFAOYSA-N 1 1 328.485 4.144 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@H+](CCC#N)CC(C)C ZINC000919944181 1048327052 /nfs/dbraw/zinc/32/70/52/1048327052.db2.gz WFPKZFFDQHJPAZ-UHFFFAOYSA-N 1 1 328.485 4.144 20 30 EIEDMO COc1ccc(F)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1F ZINC001143979241 1048339372 /nfs/dbraw/zinc/33/93/72/1048339372.db2.gz XQQYQFQIITZOFQ-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000809550291 1048410970 /nfs/dbraw/zinc/41/09/70/1048410970.db2.gz GFZVFIVWTBSOTK-ZIAGYGMSSA-N 1 1 335.291 4.231 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809605772 1048414135 /nfs/dbraw/zinc/41/41/35/1048414135.db2.gz IIMGKHYHOMQSEH-IBGZPJMESA-N 1 1 332.491 4.332 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809605772 1048414142 /nfs/dbraw/zinc/41/41/42/1048414142.db2.gz IIMGKHYHOMQSEH-IBGZPJMESA-N 1 1 332.491 4.332 20 30 EIEDMO C#C[C@H]([NH2+][C@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1F ZINC000809699573 1048461974 /nfs/dbraw/zinc/46/19/74/1048461974.db2.gz QJRAVIJIXVYUNB-ACJLOTCBSA-N 1 1 333.838 4.152 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(OCC)c1O)c1ccc(Cl)cc1F ZINC000809698937 1048462289 /nfs/dbraw/zinc/46/22/89/1048462289.db2.gz IYLBLGFQXPVBSN-INIZCTEOSA-N 1 1 333.790 4.048 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(CC)CC)cc1 ZINC000809701446 1048465534 /nfs/dbraw/zinc/46/55/34/1048465534.db2.gz FSOVHGRIYNZSJH-UHFFFAOYSA-N 1 1 342.483 4.196 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N/CC[N@H+]1CCc2sccc2C1 ZINC000920173070 1048572913 /nfs/dbraw/zinc/57/29/13/1048572913.db2.gz OERIGKGHPRZLFN-FYJGNVAPSA-N 1 1 336.460 4.084 20 30 EIEDMO [NH2+]=C(Nc1cc(Cl)nc2[nH]ccc21)c1ccc2cc(O)ccc2c1 ZINC001171176056 1048650499 /nfs/dbraw/zinc/65/04/99/1048650499.db2.gz JEJKYXMMKSFDPU-UHFFFAOYSA-N 1 1 336.782 4.112 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(SC(F)F)cc1 ZINC000810148201 1048655446 /nfs/dbraw/zinc/65/54/46/1048655446.db2.gz WAEUCVBCYGKTSE-SECBINFHSA-N 1 1 325.409 4.180 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(F)c2)c1C ZINC000920386202 1048663272 /nfs/dbraw/zinc/66/32/72/1048663272.db2.gz TYWOAUOYYGAXGO-HXUWFJFHSA-N 1 1 342.462 4.174 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)c(F)cc2O)C2CC2)cc1 ZINC000816484539 1048813080 /nfs/dbraw/zinc/81/30/80/1048813080.db2.gz GMBZEQKRVBRGRF-UHFFFAOYSA-N 1 1 330.790 4.221 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cc(Cl)c(F)cc2O)C2CC2)cc1 ZINC000816484539 1048813082 /nfs/dbraw/zinc/81/30/82/1048813082.db2.gz GMBZEQKRVBRGRF-UHFFFAOYSA-N 1 1 330.790 4.221 20 30 EIEDMO CC[N@H+](CCCN[C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182649 1048835617 /nfs/dbraw/zinc/83/56/17/1048835617.db2.gz NWSCJJOITGCDOS-SFHVURJKSA-N 1 1 343.515 4.284 20 30 EIEDMO CC[N@@H+](CCCN[C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182649 1048835621 /nfs/dbraw/zinc/83/56/21/1048835621.db2.gz NWSCJJOITGCDOS-SFHVURJKSA-N 1 1 343.515 4.284 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cccc(Br)c2C1 ZINC001171221841 1048857298 /nfs/dbraw/zinc/85/72/98/1048857298.db2.gz VYGJPABJFHAEGG-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cccc(Br)c2C1 ZINC001171221841 1048857299 /nfs/dbraw/zinc/85/72/99/1048857299.db2.gz VYGJPABJFHAEGG-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)Cc2cccc(C#N)c2)on1 ZINC001171230651 1048869969 /nfs/dbraw/zinc/86/99/69/1048869969.db2.gz XCABNABOVICKJO-SFHVURJKSA-N 1 1 345.446 4.488 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231677 1048871461 /nfs/dbraw/zinc/87/14/61/1048871461.db2.gz KRFGOUQVAOMVIN-GCJKJVERSA-N 1 1 348.490 4.453 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001171232446 1048878182 /nfs/dbraw/zinc/87/81/82/1048878182.db2.gz SKXJIXPQAPSSEX-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171232446 1048878183 /nfs/dbraw/zinc/87/81/83/1048878183.db2.gz SKXJIXPQAPSSEX-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171232446 1048878185 /nfs/dbraw/zinc/87/81/85/1048878185.db2.gz SKXJIXPQAPSSEX-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860486 1048932327 /nfs/dbraw/zinc/93/23/27/1048932327.db2.gz IVJNVHHEYCHQSA-VQTJNVASSA-N 1 1 338.426 4.375 20 30 EIEDMO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)c(F)c1 ZINC000817581636 1049012655 /nfs/dbraw/zinc/01/26/55/1049012655.db2.gz QWDZZSHTXXZVSC-LJQANCHMSA-N 1 1 328.362 4.086 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(CC=C)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000811517409 1049102341 /nfs/dbraw/zinc/10/23/41/1049102341.db2.gz RMANXQSGOJKMQR-SFHVURJKSA-N 1 1 341.838 4.247 20 30 EIEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541441 1049144738 /nfs/dbraw/zinc/14/47/38/1049144738.db2.gz PFIPOFJRCLUPMZ-KRWDZBQOSA-N 1 1 326.827 4.080 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nc(C)sc2C)c1 ZINC000772982290 1049192461 /nfs/dbraw/zinc/19/24/61/1049192461.db2.gz BSNUCZLIRTZULE-LRDDRELGSA-N 1 1 329.469 4.292 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000772989626 1049292791 /nfs/dbraw/zinc/29/27/91/1049292791.db2.gz XLCIUYSPZFWDBL-CQSZACIVSA-N 1 1 329.827 4.211 20 30 EIEDMO C[C@H](NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818472 1049374988 /nfs/dbraw/zinc/37/49/88/1049374988.db2.gz MQOFMYBKSABSNY-HRAATJIYSA-N 1 1 334.467 4.088 20 30 EIEDMO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000609891680 1049382689 /nfs/dbraw/zinc/38/26/89/1049382689.db2.gz YXRAOOKAPDRMLL-AWEZNQCLSA-N 1 1 325.843 4.070 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359139 1049507688 /nfs/dbraw/zinc/50/76/88/1049507688.db2.gz AZKFKHQQDLIFCS-SFHVURJKSA-N 1 1 326.390 4.238 20 30 EIEDMO C#CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115693 1049586097 /nfs/dbraw/zinc/58/60/97/1049586097.db2.gz OENTVBMBRDTOCX-PTUXOGIPSA-N 1 1 332.491 4.394 20 30 EIEDMO C#CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115693 1049586109 /nfs/dbraw/zinc/58/61/09/1049586109.db2.gz OENTVBMBRDTOCX-PTUXOGIPSA-N 1 1 332.491 4.394 20 30 EIEDMO C=C[C@@H](CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136405707 1049587373 /nfs/dbraw/zinc/58/73/73/1049587373.db2.gz WPWMYQGBQYRLGL-OTWHNJEPSA-N 1 1 342.527 4.219 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)c(OCC)c1)c1ccc(F)cc1 ZINC000812793781 1049592679 /nfs/dbraw/zinc/59/26/79/1049592679.db2.gz DORJSKMXRQLPPA-GOSISDBHSA-N 1 1 327.399 4.087 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCCC)c1)c1ccc(F)cc1 ZINC000812793791 1049593258 /nfs/dbraw/zinc/59/32/58/1049593258.db2.gz FFDHLVJIERCMLR-GOSISDBHSA-N 1 1 327.399 4.087 20 30 EIEDMO N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716715921 1049703722 /nfs/dbraw/zinc/70/37/22/1049703722.db2.gz YORCSKXGOJYHCO-TYPHKJRUSA-N 1 1 347.462 4.054 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001171489518 1049718310 /nfs/dbraw/zinc/71/83/10/1049718310.db2.gz HILLDDIDSNQLDA-QGZVFWFLSA-N 1 1 337.463 4.460 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001171489986 1049719147 /nfs/dbraw/zinc/71/91/47/1049719147.db2.gz LPYZTBJZMDRRNR-CQSZACIVSA-N 1 1 343.268 4.233 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747844337 1049723872 /nfs/dbraw/zinc/72/38/72/1049723872.db2.gz SDKALZVTQVYEGF-HNNXBMFYSA-N 1 1 345.487 4.102 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544991 1049736613 /nfs/dbraw/zinc/73/66/13/1049736613.db2.gz NEQCGGOERAERPX-IBGZPJMESA-N 1 1 346.490 4.290 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1 ZINC001171615492 1049766121 /nfs/dbraw/zinc/76/61/21/1049766121.db2.gz WTCDKXMODDDRCO-KURKYZTESA-N 1 1 348.531 4.146 20 30 EIEDMO CC(C)[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171623515 1049767929 /nfs/dbraw/zinc/76/79/29/1049767929.db2.gz AYEBWASKILITGB-LJQANCHMSA-N 1 1 327.516 4.496 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847277 1049812663 /nfs/dbraw/zinc/81/26/63/1049812663.db2.gz KWTPAPQTMFHBJQ-CHWSQXEVSA-N 1 1 347.459 4.051 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001171867326 1049814934 /nfs/dbraw/zinc/81/49/34/1049814934.db2.gz BAEZZJQEHHKAEV-SFHVURJKSA-N 1 1 347.849 4.124 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001171867326 1049814936 /nfs/dbraw/zinc/81/49/36/1049814936.db2.gz BAEZZJQEHHKAEV-SFHVURJKSA-N 1 1 347.849 4.124 20 30 EIEDMO C#CC[N@@H+](Cc1cc(Br)c2ccccc2c1)C1CSC1 ZINC001171867801 1049815470 /nfs/dbraw/zinc/81/54/70/1049815470.db2.gz OKVBNRCANSTCTD-UHFFFAOYSA-N 1 1 346.293 4.153 20 30 EIEDMO C#CC[N@H+](Cc1cc(Br)c2ccccc2c1)C1CSC1 ZINC001171867801 1049815476 /nfs/dbraw/zinc/81/54/76/1049815476.db2.gz OKVBNRCANSTCTD-UHFFFAOYSA-N 1 1 346.293 4.153 20 30 EIEDMO CCC[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071522 1049844178 /nfs/dbraw/zinc/84/41/78/1049844178.db2.gz XGPCYWWDTDBPJF-WOZUAGRISA-N 1 1 325.500 4.244 20 30 EIEDMO C(#Cc1ccccc1)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077177 1049846757 /nfs/dbraw/zinc/84/67/57/1049846757.db2.gz PERDOVVELQULJH-JOZNFPNDSA-N 1 1 344.502 4.213 20 30 EIEDMO CC(C)C[C@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066789 1049851236 /nfs/dbraw/zinc/85/12/36/1049851236.db2.gz BHJQUCWYVZLLJF-NCYKPQTJSA-N 1 1 325.500 4.100 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313566 1049875554 /nfs/dbraw/zinc/87/55/54/1049875554.db2.gz ZRWPWLPFLLBUJY-UTKZUKDTSA-N 1 1 334.463 4.377 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001172318745 1049876525 /nfs/dbraw/zinc/87/65/25/1049876525.db2.gz IAFGRDWPNDPAJO-AVRDEDQJSA-N 1 1 334.463 4.170 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320604 1049877746 /nfs/dbraw/zinc/87/77/46/1049877746.db2.gz WRVPEYMVIBQPGT-MGPUTAFESA-N 1 1 340.467 4.418 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320603 1049877756 /nfs/dbraw/zinc/87/77/56/1049877756.db2.gz WRVPEYMVIBQPGT-FOIQADDNSA-N 1 1 340.467 4.418 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCCn2nnc(COCC)c2C1 ZINC001172354099 1049893504 /nfs/dbraw/zinc/89/35/04/1049893504.db2.gz FGYJHBQCZCYNJU-KRWDZBQOSA-N 1 1 336.524 4.159 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001172355296 1049894725 /nfs/dbraw/zinc/89/47/25/1049894725.db2.gz NQYZRRHUOKTEBS-LJQANCHMSA-N 1 1 343.519 4.083 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001172355296 1049894728 /nfs/dbraw/zinc/89/47/28/1049894728.db2.gz NQYZRRHUOKTEBS-LJQANCHMSA-N 1 1 343.519 4.083 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000616750713 1049916701 /nfs/dbraw/zinc/91/67/01/1049916701.db2.gz KAHKIJHFUCDCKB-CTNGQTDRSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@@H](CCCC#N)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488042 1049920297 /nfs/dbraw/zinc/92/02/97/1049920297.db2.gz PTZLINOIWFPCIX-AWEZNQCLSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488042 1049920311 /nfs/dbraw/zinc/92/03/11/1049920311.db2.gz PTZLINOIWFPCIX-AWEZNQCLSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496312 1049921443 /nfs/dbraw/zinc/92/14/43/1049921443.db2.gz LYFDZOMGWDACOJ-PXNSSMCTSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495504 1049921790 /nfs/dbraw/zinc/92/17/90/1049921790.db2.gz FILPZMAGUIVZSM-XLIONFOSSA-N 1 1 349.519 4.182 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172509084 1049925103 /nfs/dbraw/zinc/92/51/03/1049925103.db2.gz SEZMIFDKNXBIND-OALUTQOASA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172510479 1049926830 /nfs/dbraw/zinc/92/68/30/1049926830.db2.gz CWGBHOMJYNSMBJ-ZWKOTPCHSA-N 1 1 335.536 4.495 20 30 EIEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729081 1049967904 /nfs/dbraw/zinc/96/79/04/1049967904.db2.gz PAERWZDUDXNIMQ-TZIWHRDSSA-N 1 1 333.516 4.316 20 30 EIEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326049 1050049191 /nfs/dbraw/zinc/04/91/91/1050049191.db2.gz BQOBZOZFKZJPKZ-JKSUJKDBSA-N 1 1 347.528 4.245 20 30 EIEDMO C=CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000249586376 1050102192 /nfs/dbraw/zinc/10/21/92/1050102192.db2.gz TWUHJJQEVWIHED-UYAOXDASSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172848103 1050186535 /nfs/dbraw/zinc/18/65/35/1050186535.db2.gz RQQPSDCFNPAFAL-ZDUSSCGKSA-N 1 1 328.818 4.340 20 30 EIEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001185913986 1050193372 /nfs/dbraw/zinc/19/33/72/1050193372.db2.gz GLDUZGKCUFBQOI-SFGWALBWSA-N 1 1 349.453 4.410 20 30 EIEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172864146 1050200978 /nfs/dbraw/zinc/20/09/78/1050200978.db2.gz OMGZAALVEFSUKD-CYBMUJFWSA-N 1 1 328.818 4.340 20 30 EIEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005345 1050263944 /nfs/dbraw/zinc/26/39/44/1050263944.db2.gz NNLJMSMKIUHCCT-UHFFFAOYSA-N 1 1 344.474 4.251 20 30 EIEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172994413 1050266751 /nfs/dbraw/zinc/26/67/51/1050266751.db2.gz UYYHTMSPXBFXLZ-ROUUACIJSA-N 1 1 347.503 4.099 20 30 EIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833587 1050310771 /nfs/dbraw/zinc/31/07/71/1050310771.db2.gz AVCBTHYGMGVCNW-SFHVURJKSA-N 1 1 341.543 4.478 20 30 EIEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833587 1050310787 /nfs/dbraw/zinc/31/07/87/1050310787.db2.gz AVCBTHYGMGVCNW-SFHVURJKSA-N 1 1 341.543 4.478 20 30 EIEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196573 1050340540 /nfs/dbraw/zinc/34/05/40/1050340540.db2.gz QJSHWIGQJHMEHQ-UUKMXZOPSA-N 1 1 345.483 4.110 20 30 EIEDMO C=CCOc1c(Cl)cc(CNc2[nH+]c(C)ccc2OC)cc1OC ZINC001178104394 1050374454 /nfs/dbraw/zinc/37/44/54/1050374454.db2.gz OIQAJSIJAPPSNR-UHFFFAOYSA-N 1 1 348.830 4.238 20 30 EIEDMO N#Cc1ccc(F)cc1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001186639440 1050380741 /nfs/dbraw/zinc/38/07/41/1050380741.db2.gz FISPYNMBBUGMSJ-SFHVURJKSA-N 1 1 337.442 4.412 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173323474 1050414564 /nfs/dbraw/zinc/41/45/64/1050414564.db2.gz YPGNDXQCGOVQAP-CTWPCTMYSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173323474 1050414572 /nfs/dbraw/zinc/41/45/72/1050414572.db2.gz YPGNDXQCGOVQAP-CTWPCTMYSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Sc3ccccc3OC)C2)CC1 ZINC001173322756 1050414676 /nfs/dbraw/zinc/41/46/76/1050414676.db2.gz LEKFDWMWUCAHPC-DAWZGUTISA-N 1 1 347.524 4.375 20 30 EIEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001173321706 1050415453 /nfs/dbraw/zinc/41/54/53/1050415453.db2.gz SCIVKFYSJWDYQX-FEKWIAJESA-N 1 1 333.516 4.027 20 30 EIEDMO C=CCOC1CCC(n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)CC1 ZINC001173326387 1050417550 /nfs/dbraw/zinc/41/75/50/1050417550.db2.gz GIEMAOYWAZYMMM-KKXNLOMOSA-N 1 1 339.483 4.420 20 30 EIEDMO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173332427 1050422888 /nfs/dbraw/zinc/42/28/88/1050422888.db2.gz NEYPSCLBHOLFTF-KCUKBOBISA-N 1 1 339.527 4.207 20 30 EIEDMO N#CCC1CCC([N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001173337260 1050424971 /nfs/dbraw/zinc/42/49/71/1050424971.db2.gz DLFHXYSRUKQNDJ-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO CCOC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CCC(CC#N)CC1 ZINC001173336818 1050425379 /nfs/dbraw/zinc/42/53/79/1050425379.db2.gz NASDLEWJQWSCNR-LRYGQEGESA-N 1 1 328.456 4.085 20 30 EIEDMO CC[N@@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173337043 1050425776 /nfs/dbraw/zinc/42/57/76/1050425776.db2.gz WSUKYAQAHSPWLN-DAWZGUTISA-N 1 1 349.519 4.180 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001173320159 1050441306 /nfs/dbraw/zinc/44/13/06/1050441306.db2.gz BVQOJMUVLSZWIT-UHFFFAOYSA-N 1 1 328.378 4.046 20 30 EIEDMO CC1(C#N)CCC([NH+]2CCC(N)(c3ccc(Cl)cc3)CC2)CC1 ZINC001173591239 1050495620 /nfs/dbraw/zinc/49/56/20/1050495620.db2.gz NHFNSPXQYHJHKV-UHFFFAOYSA-N 1 1 331.891 4.062 20 30 EIEDMO CN(C[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173592147 1050496575 /nfs/dbraw/zinc/49/65/75/1050496575.db2.gz IADVNIIYJFTWPP-ZRZPHAQCSA-N 1 1 349.519 4.038 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173597010 1050499924 /nfs/dbraw/zinc/49/99/24/1050499924.db2.gz JWZHWYKUIHLOOO-FDYSRKEFSA-N 1 1 326.440 4.083 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173597013 1050500480 /nfs/dbraw/zinc/50/04/80/1050500480.db2.gz JWZHWYKUIHLOOO-QPIRBTGLSA-N 1 1 326.440 4.083 20 30 EIEDMO CCOc1cc2c(cc1OCC)C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173601450 1050501793 /nfs/dbraw/zinc/50/17/93/1050501793.db2.gz UPEMXYDVRPOLOJ-UHFFFAOYSA-N 1 1 342.483 4.315 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600607 1050502468 /nfs/dbraw/zinc/50/24/68/1050502468.db2.gz GNDQFIWEYRJRPW-BBOORHDQSA-N 1 1 346.515 4.434 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nccc(C)c2Br)cc1 ZINC001178700002 1050534965 /nfs/dbraw/zinc/53/49/65/1050534965.db2.gz GHIPBSDSOQCVGW-UHFFFAOYSA-N 1 1 347.256 4.007 20 30 EIEDMO C[C@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000093227476 1050536253 /nfs/dbraw/zinc/53/62/53/1050536253.db2.gz FLUKMONHOYQTGE-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000093227476 1050536273 /nfs/dbraw/zinc/53/62/73/1050536273.db2.gz FLUKMONHOYQTGE-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807478 1050537162 /nfs/dbraw/zinc/53/71/62/1050537162.db2.gz ZWZBAFFLQLBFPE-URZJWIJPSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711579 1050553566 /nfs/dbraw/zinc/55/35/66/1050553566.db2.gz FLLINOLJTJIUBX-FYYLOGMGSA-N 1 1 346.474 4.358 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc1 ZINC000775150453 1050639004 /nfs/dbraw/zinc/63/90/04/1050639004.db2.gz JUSNOBDYAIFMST-ZDUSSCGKSA-N 1 1 332.806 4.402 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc1 ZINC000775150453 1050639009 /nfs/dbraw/zinc/63/90/09/1050639009.db2.gz JUSNOBDYAIFMST-ZDUSSCGKSA-N 1 1 332.806 4.402 20 30 EIEDMO C=C(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000619285815 1050740377 /nfs/dbraw/zinc/74/03/77/1050740377.db2.gz AAEUSAWXZZKMFW-UHFFFAOYSA-N 1 1 337.379 4.314 20 30 EIEDMO C=C(C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000619285815 1050740396 /nfs/dbraw/zinc/74/03/96/1050740396.db2.gz AAEUSAWXZZKMFW-UHFFFAOYSA-N 1 1 337.379 4.314 20 30 EIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001179863211 1050809523 /nfs/dbraw/zinc/80/95/23/1050809523.db2.gz MCLOLWSNGOFUSY-UHFFFAOYSA-N 1 1 328.843 4.469 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc([N+](=O)[O-])c1 ZINC000775187618 1050822388 /nfs/dbraw/zinc/82/23/88/1050822388.db2.gz QZEXYXJJIBYSOV-LBPRGKRZSA-N 1 1 345.786 4.001 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCN(c2ccccc2)C1 ZINC001179966822 1050851123 /nfs/dbraw/zinc/85/11/23/1050851123.db2.gz URRVGERLPYKIJA-HXUWFJFHSA-N 1 1 336.479 4.210 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001180133143 1050881337 /nfs/dbraw/zinc/88/13/37/1050881337.db2.gz QNAIAJLGCHGUNU-MOPGFXCFSA-N 1 1 347.886 4.132 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001180133143 1050881341 /nfs/dbraw/zinc/88/13/41/1050881341.db2.gz QNAIAJLGCHGUNU-MOPGFXCFSA-N 1 1 347.886 4.132 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1Cl ZINC000619748819 1050894492 /nfs/dbraw/zinc/89/44/92/1050894492.db2.gz POCOPNQJVFGTPZ-UHFFFAOYSA-N 1 1 331.803 4.250 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)c1cccc(Cl)c1 ZINC001180183257 1050895538 /nfs/dbraw/zinc/89/55/38/1050895538.db2.gz AJPNLYBNBGZCFW-INIZCTEOSA-N 1 1 342.870 4.464 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041777 1050942414 /nfs/dbraw/zinc/94/24/14/1050942414.db2.gz WNJUADQNGMZQMH-ZDUSSCGKSA-N 1 1 342.405 4.118 20 30 EIEDMO C=CCO[C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001180317531 1050950580 /nfs/dbraw/zinc/95/05/80/1050950580.db2.gz IDELUVCLMYNLEL-QHCPKHFHSA-N 1 1 335.491 4.365 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001180280945 1050953435 /nfs/dbraw/zinc/95/34/35/1050953435.db2.gz RHQZOYFRAGBLMQ-UHFFFAOYSA-N 1 1 331.843 4.285 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193462 1051056825 /nfs/dbraw/zinc/05/68/25/1051056825.db2.gz HSDXSBXTHINPTE-FPOVZHCZSA-N 1 1 340.511 4.007 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC001181162449 1051179908 /nfs/dbraw/zinc/17/99/08/1051179908.db2.gz HWXVSQBBVHXQGU-UHFFFAOYSA-N 1 1 336.178 4.063 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190458209 1051192468 /nfs/dbraw/zinc/19/24/68/1051192468.db2.gz YWIZUAVYHPJFDV-IBGZPJMESA-N 1 1 349.833 4.209 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)c1ccccc1 ZINC000775400010 1051230378 /nfs/dbraw/zinc/23/03/78/1051230378.db2.gz GURLNGYXLJKGLS-HXUWFJFHSA-N 1 1 332.403 4.204 20 30 EIEDMO C=C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000153861549 1051238014 /nfs/dbraw/zinc/23/80/14/1051238014.db2.gz ZWAHHOWGJSUHEO-RBUKOAKNSA-N 1 1 328.500 4.117 20 30 EIEDMO CC1(C)C[N@@H+](CCCSCC#N)C(C)(C)CN1Cc1ccccc1 ZINC001174942631 1051262838 /nfs/dbraw/zinc/26/28/38/1051262838.db2.gz ZWTYHNCLIIATLE-UHFFFAOYSA-N 1 1 345.556 4.008 20 30 EIEDMO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1CCCSCC#N ZINC001174942631 1051262850 /nfs/dbraw/zinc/26/28/50/1051262850.db2.gz ZWTYHNCLIIATLE-UHFFFAOYSA-N 1 1 345.556 4.008 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1CCCSCC#N ZINC001174942631 1051262863 /nfs/dbraw/zinc/26/28/63/1051262863.db2.gz ZWTYHNCLIIATLE-UHFFFAOYSA-N 1 1 345.556 4.008 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@]1(C)Br ZINC001181707676 1051280340 /nfs/dbraw/zinc/28/03/40/1051280340.db2.gz OBWDQYKBJDFJCJ-JKSUJKDBSA-N 1 1 340.309 4.016 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@]1(C)Br ZINC001181707676 1051280348 /nfs/dbraw/zinc/28/03/48/1051280348.db2.gz OBWDQYKBJDFJCJ-JKSUJKDBSA-N 1 1 340.309 4.016 20 30 EIEDMO C[C@@H]1CCC[C@@H](CC[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818740 1051284210 /nfs/dbraw/zinc/28/42/10/1051284210.db2.gz NOSGHUZALHWQNF-MOPGFXCFSA-N 1 1 325.500 4.287 20 30 EIEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001190895232 1051300261 /nfs/dbraw/zinc/30/02/61/1051300261.db2.gz QABODSWTQMBZRY-DAWZGUTISA-N 1 1 349.519 4.038 20 30 EIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156575 1051366140 /nfs/dbraw/zinc/36/61/40/1051366140.db2.gz LXGHIXWUZFUSRH-QAPCUYQASA-N 1 1 335.407 4.153 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C#N ZINC001191173734 1051374210 /nfs/dbraw/zinc/37/42/10/1051374210.db2.gz IHCWLLCGRIHFAC-GOSISDBHSA-N 1 1 336.410 4.101 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(Br)cc1 ZINC001182043389 1051379546 /nfs/dbraw/zinc/37/95/46/1051379546.db2.gz KGVRQKIROCTHTD-KRWDZBQOSA-N 1 1 339.236 4.395 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182132 1051390860 /nfs/dbraw/zinc/39/08/60/1051390860.db2.gz PFYZEJJWVKKELB-INIZCTEOSA-N 1 1 326.827 4.210 20 30 EIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232122 1051404447 /nfs/dbraw/zinc/40/44/47/1051404447.db2.gz GFZPXHNFXUQYQH-RTWAWAEBSA-N 1 1 347.462 4.155 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC001191416920 1051451555 /nfs/dbraw/zinc/45/15/55/1051451555.db2.gz LBDPROQPQLKBLR-NRFANRHFSA-N 1 1 333.479 4.276 20 30 EIEDMO COCC#CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001191443548 1051458960 /nfs/dbraw/zinc/45/89/60/1051458960.db2.gz BXXQFBUXFBXFRR-IBGZPJMESA-N 1 1 331.818 4.150 20 30 EIEDMO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520523 1051473208 /nfs/dbraw/zinc/47/32/08/1051473208.db2.gz HTOOGRNCFLTXDB-XPWALMASSA-N 1 1 345.490 4.238 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(Cl)cc(C#N)c1)CCC2 ZINC001191861878 1051560087 /nfs/dbraw/zinc/56/00/87/1051560087.db2.gz NPEMHTCURYJPQH-INIZCTEOSA-N 1 1 331.872 4.486 20 30 EIEDMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191911019 1051575288 /nfs/dbraw/zinc/57/52/88/1051575288.db2.gz WILOLSUKGTYFMI-MRXNPFEDSA-N 1 1 333.863 4.051 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001182523134 1051631123 /nfs/dbraw/zinc/63/11/23/1051631123.db2.gz ZDSLVILPBCFFQW-LJQANCHMSA-N 1 1 327.468 4.015 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545023 1051635778 /nfs/dbraw/zinc/63/57/78/1051635778.db2.gz UBAJXKUZOYRQGQ-ZDUSSCGKSA-N 1 1 332.419 4.324 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603947 1051656381 /nfs/dbraw/zinc/65/63/81/1051656381.db2.gz BUMFILOFUQZLEH-SJORKVTESA-N 1 1 336.520 4.051 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC001192388984 1051713210 /nfs/dbraw/zinc/71/32/10/1051713210.db2.gz GEKGFUHLOHZQGT-INIZCTEOSA-N 1 1 347.380 4.112 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158961036 1051801324 /nfs/dbraw/zinc/80/13/24/1051801324.db2.gz KWGHNVCCHJVTNM-HSZRJFAPSA-N 1 1 346.474 4.162 20 30 EIEDMO COc1cccc2c(C[N@H+]3CCc4c(CC#N)cccc4C3)cccc12 ZINC001183181786 1051802094 /nfs/dbraw/zinc/80/20/94/1051802094.db2.gz YIPSTMDLFNLCNQ-UHFFFAOYSA-N 1 1 342.442 4.473 20 30 EIEDMO Cc1cc(C#N)cc(Cl)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859931 1051824834 /nfs/dbraw/zinc/82/48/34/1051824834.db2.gz WXNHBPCDXQTGIJ-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO C=C(C)C[C@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183313962 1051825046 /nfs/dbraw/zinc/82/50/46/1051825046.db2.gz VVWFERMXLUWPKM-INIZCTEOSA-N 1 1 343.389 4.126 20 30 EIEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919501 1051833537 /nfs/dbraw/zinc/83/35/37/1051833537.db2.gz VABALRIJMVTPMI-ZWKOTPCHSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919501 1051833545 /nfs/dbraw/zinc/83/35/45/1051833545.db2.gz VABALRIJMVTPMI-ZWKOTPCHSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919501 1051833547 /nfs/dbraw/zinc/83/35/47/1051833547.db2.gz VABALRIJMVTPMI-ZWKOTPCHSA-N 1 1 333.479 4.140 20 30 EIEDMO CCCCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001183378767 1051837828 /nfs/dbraw/zinc/83/78/28/1051837828.db2.gz CLAHZTAIWWOUON-UHFFFAOYSA-N 1 1 349.478 4.059 20 30 EIEDMO C=CC(C)(C)CCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC001203571446 1051861986 /nfs/dbraw/zinc/86/19/86/1051861986.db2.gz HVIHTVROQSHTAA-UHFFFAOYSA-N 1 1 349.950 4.174 20 30 EIEDMO C#CC[C@H]1CC[N@@H+](C[C@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904088 /nfs/dbraw/zinc/90/40/88/1051904088.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 1 1 346.518 4.247 20 30 EIEDMO C#CC[C@H]1CC[N@H+](C[C@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904098 /nfs/dbraw/zinc/90/40/98/1051904098.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 1 1 346.518 4.247 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001176114084 1051918086 /nfs/dbraw/zinc/91/80/86/1051918086.db2.gz OSAWPKBAVIOHCM-CQSZACIVSA-N 1 1 340.309 4.389 20 30 EIEDMO C#CC[N@H+](C[C@@H](C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130425 1051925954 /nfs/dbraw/zinc/92/59/54/1051925954.db2.gz VIZOOONBYGFEND-MRXNPFEDSA-N 1 1 336.520 4.003 20 30 EIEDMO CC#CC[N@H+](C)Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001184115348 1051957000 /nfs/dbraw/zinc/95/70/00/1051957000.db2.gz DKIPNVHHVVJJDN-UHFFFAOYSA-N 1 1 329.875 4.278 20 30 EIEDMO CC#CC[N@@H+](C)Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001184115348 1051957012 /nfs/dbraw/zinc/95/70/12/1051957012.db2.gz DKIPNVHHVVJJDN-UHFFFAOYSA-N 1 1 329.875 4.278 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC001193703276 1051979793 /nfs/dbraw/zinc/97/97/93/1051979793.db2.gz DQPAHGVCBILTFB-FQEVSTJZSA-N 1 1 332.403 4.032 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4cc(O)ccc4c3)sc2C1 ZINC001176386576 1052029934 /nfs/dbraw/zinc/02/99/34/1052029934.db2.gz NXNKBIREMZAWBA-UHFFFAOYSA-N 1 1 335.432 4.210 20 30 EIEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001194019250 1052050641 /nfs/dbraw/zinc/05/06/41/1052050641.db2.gz CBJGPYALIHPMFR-QGZVFWFLSA-N 1 1 329.463 4.200 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001194051277 1052062145 /nfs/dbraw/zinc/06/21/45/1052062145.db2.gz ASWHLHBBHGMDIT-FQEVSTJZSA-N 1 1 329.484 4.041 20 30 EIEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222270 1052110207 /nfs/dbraw/zinc/11/02/07/1052110207.db2.gz QPHYNKZAGJIDJZ-UTKZUKDTSA-N 1 1 347.462 4.360 20 30 EIEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222268 1052111286 /nfs/dbraw/zinc/11/12/86/1052111286.db2.gz QPHYNKZAGJIDJZ-LAUBAEHRSA-N 1 1 347.462 4.360 20 30 EIEDMO C=C(C)COc1cc(CNCC[N@@H+](C)C2CCCCC2)ccc1OC ZINC000622266610 1052169774 /nfs/dbraw/zinc/16/97/74/1052169774.db2.gz NXOIFGHLVYWZCV-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]CCN(C)C2CCCCC2)ccc1OC ZINC000622266610 1052169778 /nfs/dbraw/zinc/16/97/78/1052169778.db2.gz NXOIFGHLVYWZCV-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001176663287 1052172805 /nfs/dbraw/zinc/17/28/05/1052172805.db2.gz DTLZELLAPKQHMY-IBGZPJMESA-N 1 1 326.465 4.248 20 30 EIEDMO C=CCOc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1Cl ZINC000671193382 1052228186 /nfs/dbraw/zinc/22/81/86/1052228186.db2.gz LTJLFQVHNBSZTN-UHFFFAOYSA-N 1 1 341.842 4.113 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1nc2oc(C)c(C)c2c(N)n1)c1ccccc1 ZINC000180036405 1052775557 /nfs/dbraw/zinc/77/55/57/1052775557.db2.gz RNESTYDZJAHALY-INIZCTEOSA-N 1 1 336.439 4.219 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184784555 1053006433 /nfs/dbraw/zinc/00/64/33/1053006433.db2.gz HIRYFPIHFDETNN-UHFFFAOYSA-N 1 1 333.435 4.226 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466356 1053121036 /nfs/dbraw/zinc/12/10/36/1053121036.db2.gz JJGXYWBUKCXXLB-SFTDATJTSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764466356 1053121060 /nfs/dbraw/zinc/12/10/60/1053121060.db2.gz JJGXYWBUKCXXLB-SFTDATJTSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764466356 1053121075 /nfs/dbraw/zinc/12/10/75/1053121075.db2.gz JJGXYWBUKCXXLB-SFTDATJTSA-N 1 1 337.596 4.085 20 30 EIEDMO CC[N@H+](c1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C(C)C ZINC000864026081 1053163535 /nfs/dbraw/zinc/16/35/35/1053163535.db2.gz YSHPPMNROGUUEM-UHFFFAOYSA-N 1 1 336.483 4.471 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001194920385 1053172190 /nfs/dbraw/zinc/17/21/90/1053172190.db2.gz FAARYPYMCUZPAW-IBGZPJMESA-N 1 1 347.503 4.133 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001194920385 1053172233 /nfs/dbraw/zinc/17/22/33/1053172233.db2.gz FAARYPYMCUZPAW-IBGZPJMESA-N 1 1 347.503 4.133 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](CCC)CC2)cc1 ZINC000764639774 1053246067 /nfs/dbraw/zinc/24/60/67/1053246067.db2.gz SKFVDUXAHBMFMG-MRXNPFEDSA-N 1 1 336.907 4.343 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CCC)CC2)cc1 ZINC000764639774 1053246094 /nfs/dbraw/zinc/24/60/94/1053246094.db2.gz SKFVDUXAHBMFMG-MRXNPFEDSA-N 1 1 336.907 4.343 20 30 EIEDMO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1O ZINC000850488566 1053255622 /nfs/dbraw/zinc/25/56/22/1053255622.db2.gz NFSCAEYCIFFICB-GFCCVEGCSA-N 1 1 334.341 4.176 20 30 EIEDMO CC(=[NH+]NCc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1O ZINC000764716997 1053277928 /nfs/dbraw/zinc/27/79/28/1053277928.db2.gz CIQWJYLREVCPRE-UHFFFAOYSA-N 1 1 343.858 4.160 20 30 EIEDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000864862201 1053374723 /nfs/dbraw/zinc/37/47/23/1053374723.db2.gz BZSILLMRNOWGAI-PWRODBHTSA-N 1 1 347.462 4.011 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000775654795 1053401723 /nfs/dbraw/zinc/40/17/23/1053401723.db2.gz OZSFUZGLEQKZGX-NRFANRHFSA-N 1 1 332.451 4.124 20 30 EIEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cn(C4CC4)cn3)c2)s1 ZINC000865472024 1053517403 /nfs/dbraw/zinc/51/74/03/1053517403.db2.gz YDDBAYFDFZUROA-UHFFFAOYSA-N 1 1 334.448 4.108 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000765353113 1053520280 /nfs/dbraw/zinc/52/02/80/1053520280.db2.gz ZUVSLKZDMAEWOK-ZDUSSCGKSA-N 1 1 347.871 4.378 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776581002 1053563721 /nfs/dbraw/zinc/56/37/21/1053563721.db2.gz BRQQNONUAYMGGV-IAGOWNOFSA-N 1 1 349.519 4.038 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331544 1053570409 /nfs/dbraw/zinc/57/04/09/1053570409.db2.gz APUJROCFDYZNCW-VGSWGCGISA-N 1 1 331.463 4.189 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331544 1053570417 /nfs/dbraw/zinc/57/04/17/1053570417.db2.gz APUJROCFDYZNCW-VGSWGCGISA-N 1 1 331.463 4.189 20 30 EIEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000776592055 1053574798 /nfs/dbraw/zinc/57/47/98/1053574798.db2.gz XPCUFFNMBTUMNG-QHCPKHFHSA-N 1 1 348.490 4.262 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000171972147 1053630340 /nfs/dbraw/zinc/63/03/40/1053630340.db2.gz JCAMYAZOANMPLT-CYBMUJFWSA-N 1 1 344.256 4.299 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000171972366 1053630447 /nfs/dbraw/zinc/63/04/47/1053630447.db2.gz XDKHPTXJRFHAGZ-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000111219426 1053664192 /nfs/dbraw/zinc/66/41/92/1053664192.db2.gz TYYXSLZCABAGMJ-UHFFFAOYSA-N 1 1 336.464 4.351 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921528701 1053699700 /nfs/dbraw/zinc/69/97/00/1053699700.db2.gz HQBJFPHBIATCOC-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921528701 1053699709 /nfs/dbraw/zinc/69/97/09/1053699709.db2.gz HQBJFPHBIATCOC-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921535796 1053728079 /nfs/dbraw/zinc/72/80/79/1053728079.db2.gz MARGOUXGGMNAQA-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO C=CC1(CC(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCCC1 ZINC001127911599 1053778589 /nfs/dbraw/zinc/77/85/89/1053778589.db2.gz IEUNEYFGWFRZIQ-UHFFFAOYSA-N 1 1 347.528 4.375 20 30 EIEDMO C=CC1(CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCCC1 ZINC001127911599 1053778603 /nfs/dbraw/zinc/77/86/03/1053778603.db2.gz IEUNEYFGWFRZIQ-UHFFFAOYSA-N 1 1 347.528 4.375 20 30 EIEDMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC001196827879 1053783624 /nfs/dbraw/zinc/78/36/24/1053783624.db2.gz BTMYPFPNOIOVRY-YOEHRIQHSA-N 1 1 340.389 4.488 20 30 EIEDMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001196827875 1053784659 /nfs/dbraw/zinc/78/46/59/1053784659.db2.gz BTMYPFPNOIOVRY-RHSMWYFYSA-N 1 1 340.389 4.488 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)cc1 ZINC000794940892 1053815609 /nfs/dbraw/zinc/81/56/09/1053815609.db2.gz DUBYRIMRVNCWAA-SOFGYWHQSA-N 1 1 340.329 4.061 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)c1 ZINC001196982456 1053816926 /nfs/dbraw/zinc/81/69/26/1053816926.db2.gz NQANDCWBANGXIP-HSZRJFAPSA-N 1 1 342.442 4.294 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000121803095 1053848964 /nfs/dbraw/zinc/84/89/64/1053848964.db2.gz ATMTXDCDIFNJMQ-PKOBYXMFSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121803249 1053849330 /nfs/dbraw/zinc/84/93/30/1053849330.db2.gz ATMTXDCDIFNJMQ-HKUYNNGSSA-N 1 1 342.414 4.159 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c1=S ZINC000112694849 1053850102 /nfs/dbraw/zinc/85/01/02/1053850102.db2.gz WFHRGJUMPNJXLZ-KRWDZBQOSA-N 1 1 330.501 4.195 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](C)[C@H](c2ccccc2)C(C)C)c1=S ZINC000112694849 1053850103 /nfs/dbraw/zinc/85/01/03/1053850103.db2.gz WFHRGJUMPNJXLZ-KRWDZBQOSA-N 1 1 330.501 4.195 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c1=S ZINC000112694848 1053850863 /nfs/dbraw/zinc/85/08/63/1053850863.db2.gz WFHRGJUMPNJXLZ-QGZVFWFLSA-N 1 1 330.501 4.195 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c1=S ZINC000112694848 1053850864 /nfs/dbraw/zinc/85/08/64/1053850864.db2.gz WFHRGJUMPNJXLZ-QGZVFWFLSA-N 1 1 330.501 4.195 20 30 EIEDMO Fc1ccc(C2=CCC(=[NH+]n3cc(Br)cn3)CC2)cc1 ZINC000776777863 1053873528 /nfs/dbraw/zinc/87/35/28/1053873528.db2.gz WYMLZASUKDUXHP-UHFFFAOYSA-N 1 1 334.192 4.256 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000776790131 1053876664 /nfs/dbraw/zinc/87/66/64/1053876664.db2.gz OKLMKAKFYXWGHA-UHFFFAOYSA-N 1 1 333.479 4.489 20 30 EIEDMO CCC1(CC)CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001197514971 1053923166 /nfs/dbraw/zinc/92/31/66/1053923166.db2.gz VMXWKYZHNUDDKI-UHFFFAOYSA-N 1 1 341.499 4.205 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1 ZINC000776849483 1054006965 /nfs/dbraw/zinc/00/69/65/1054006965.db2.gz LALLGLZSHCQQLQ-SSGKUCQKSA-N 1 1 346.474 4.250 20 30 EIEDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCCSCC#N ZINC000509490432 1054043912 /nfs/dbraw/zinc/04/39/12/1054043912.db2.gz YYTJUACFBRVCMD-GFCCVEGCSA-N 1 1 339.302 4.015 20 30 EIEDMO CCCCCCC[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198140121 1054079078 /nfs/dbraw/zinc/07/90/78/1054079078.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 1 1 332.532 4.181 20 30 EIEDMO CC1(C)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001198202830 1054095210 /nfs/dbraw/zinc/09/52/10/1054095210.db2.gz ROPZTJHMDLHNSS-NHCUHLMSSA-N 1 1 334.463 4.107 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198243417 1054110043 /nfs/dbraw/zinc/11/00/43/1054110043.db2.gz VDXQRJLSQBCUHP-QFIPXVFZSA-N 1 1 333.406 4.118 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000130775198 1054139714 /nfs/dbraw/zinc/13/97/14/1054139714.db2.gz JTYPIOOXKIIPID-GOSISDBHSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2oc(C[N@H+](CCOCCC#N)Cc3ccco3)cc2c1 ZINC000339002631 1054207402 /nfs/dbraw/zinc/20/74/02/1054207402.db2.gz ABYPAFMZYADMGI-UHFFFAOYSA-N 1 1 338.407 4.267 20 30 EIEDMO Cc1ccc2oc(C[N@@H+](CCOCCC#N)Cc3ccco3)cc2c1 ZINC000339002631 1054207418 /nfs/dbraw/zinc/20/74/18/1054207418.db2.gz ABYPAFMZYADMGI-UHFFFAOYSA-N 1 1 338.407 4.267 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000123823111 1054301445 /nfs/dbraw/zinc/30/14/45/1054301445.db2.gz JPZOXRNNWZBRQU-AWEZNQCLSA-N 1 1 326.827 4.189 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000123823111 1054301462 /nfs/dbraw/zinc/30/14/62/1054301462.db2.gz JPZOXRNNWZBRQU-AWEZNQCLSA-N 1 1 326.827 4.189 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023831 1054403946 /nfs/dbraw/zinc/40/39/46/1054403946.db2.gz RDKYKXBKCXPMFJ-NRFANRHFSA-N 1 1 347.462 4.183 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052183 1054410476 /nfs/dbraw/zinc/41/04/76/1054410476.db2.gz UYTXJPFFSGZINQ-QRWLVFNGSA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000872179554 1054423616 /nfs/dbraw/zinc/42/36/16/1054423616.db2.gz CGTSLRJUKLHMPV-NSHDSACASA-N 1 1 344.217 4.330 20 30 EIEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC[C@@H]2CCCC2(F)F)CC1 ZINC000872405823 1054442472 /nfs/dbraw/zinc/44/24/72/1054442472.db2.gz DMPPIBLSQDUWDV-KKFHFHRHSA-N 1 1 349.469 4.442 20 30 EIEDMO N#CCCOCC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000339012749 1054542396 /nfs/dbraw/zinc/54/23/96/1054542396.db2.gz ILXOJQMMTLTVAA-FQEVSTJZSA-N 1 1 340.854 4.370 20 30 EIEDMO N#CCCOCC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000339012749 1054542411 /nfs/dbraw/zinc/54/24/11/1054542411.db2.gz ILXOJQMMTLTVAA-FQEVSTJZSA-N 1 1 340.854 4.370 20 30 EIEDMO C#CCCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC000858688431 1054549366 /nfs/dbraw/zinc/54/93/66/1054549366.db2.gz DIEZBFJNPSCRRS-VQTJNVASSA-N 1 1 349.478 4.041 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416725 1054672946 /nfs/dbraw/zinc/67/29/46/1054672946.db2.gz UHLPAOWQQPZDRH-KRWDZBQOSA-N 1 1 342.389 4.247 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000859909192 1054746789 /nfs/dbraw/zinc/74/67/89/1054746789.db2.gz KCZPZGNMISOSOO-UHFFFAOYSA-N 1 1 346.352 4.166 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000859909192 1054746804 /nfs/dbraw/zinc/74/68/04/1054746804.db2.gz KCZPZGNMISOSOO-UHFFFAOYSA-N 1 1 346.352 4.166 20 30 EIEDMO COc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C#N ZINC001201475536 1054828604 /nfs/dbraw/zinc/82/86/04/1054828604.db2.gz VPKPQZAHXMBJDC-RTWAWAEBSA-N 1 1 345.446 4.300 20 30 EIEDMO C#CCOc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001201478166 1054830971 /nfs/dbraw/zinc/83/09/71/1054830971.db2.gz ZCNQYRPMLAXAGR-YADHBBJMSA-N 1 1 344.458 4.431 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001201776680 1054915856 /nfs/dbraw/zinc/91/58/56/1054915856.db2.gz HWKNULZLXZAAJM-JOCHJYFZSA-N 1 1 342.527 4.390 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001201839380 1054931587 /nfs/dbraw/zinc/93/15/87/1054931587.db2.gz MLWKVGQHIOGCLA-KZNAEPCWSA-N 1 1 335.492 4.423 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001201839682 1054932243 /nfs/dbraw/zinc/93/22/43/1054932243.db2.gz GZSXWYZDXOGDBT-OAHLLOKOSA-N 1 1 328.298 4.253 20 30 EIEDMO C=CCN1CC[C@@]2(CCC[N@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201977664 1054954956 /nfs/dbraw/zinc/95/49/56/1054954956.db2.gz VRWDTBLMPTYFIB-TZIWHRDSSA-N 1 1 332.532 4.260 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940033 1054985661 /nfs/dbraw/zinc/98/56/61/1054985661.db2.gz OOISSKXFDAXLSJ-IRLDBZIGSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940033 1054985673 /nfs/dbraw/zinc/98/56/73/1054985673.db2.gz OOISSKXFDAXLSJ-IRLDBZIGSA-N 1 1 331.463 4.016 20 30 EIEDMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876934673 1054986008 /nfs/dbraw/zinc/98/60/08/1054986008.db2.gz IFGPTMJDWUODMK-ZDUSSCGKSA-N 1 1 329.831 4.245 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000877138060 1055025166 /nfs/dbraw/zinc/02/51/66/1055025166.db2.gz INLBMWIWQKOYTE-HNNXBMFYSA-N 1 1 348.233 4.264 20 30 EIEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2Br)c1 ZINC000126428048 1055036193 /nfs/dbraw/zinc/03/61/93/1055036193.db2.gz YDNYJLPLYYTESL-UHFFFAOYSA-N 1 1 335.632 4.264 20 30 EIEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)s1 ZINC000862281412 1055044075 /nfs/dbraw/zinc/04/40/75/1055044075.db2.gz YKOXTIBUSYTYHI-UHFFFAOYSA-N 1 1 335.432 4.442 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000862528581 1055077188 /nfs/dbraw/zinc/07/71/88/1055077188.db2.gz ATACOLXAKBYSOA-JJJJLYANSA-N 1 1 332.447 4.213 20 30 EIEDMO C=CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877907192 1055149356 /nfs/dbraw/zinc/14/93/56/1055149356.db2.gz RULJMNQDFYZXIR-HXUWFJFHSA-N 1 1 338.476 4.177 20 30 EIEDMO C=CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877907192 1055149363 /nfs/dbraw/zinc/14/93/63/1055149363.db2.gz RULJMNQDFYZXIR-HXUWFJFHSA-N 1 1 338.476 4.177 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878000420 1055171199 /nfs/dbraw/zinc/17/11/99/1055171199.db2.gz CEXWYMVFZWVSSM-HSZRJFAPSA-N 1 1 346.474 4.158 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044466 1055178513 /nfs/dbraw/zinc/17/85/13/1055178513.db2.gz PFISORDNKOJTSL-GCJKJVERSA-N 1 1 334.463 4.163 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044467 1055179556 /nfs/dbraw/zinc/17/95/56/1055179556.db2.gz PFISORDNKOJTSL-PGRDOPGGSA-N 1 1 334.463 4.163 20 30 EIEDMO CCS[C@@H]1CCCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098683 1055187839 /nfs/dbraw/zinc/18/78/39/1055187839.db2.gz ZVINPORAKGYRIH-UXHICEINSA-N 1 1 344.524 4.035 20 30 EIEDMO CCS[C@H]1CCCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098684 1055187892 /nfs/dbraw/zinc/18/78/92/1055187892.db2.gz ZVINPORAKGYRIH-VQTJNVASSA-N 1 1 344.524 4.035 20 30 EIEDMO CCS[C@H]1CCCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098680 1055188049 /nfs/dbraw/zinc/18/80/49/1055188049.db2.gz ZVINPORAKGYRIH-PMACEKPBSA-N 1 1 344.524 4.035 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515838 1055331955 /nfs/dbraw/zinc/33/19/55/1055331955.db2.gz JBRMIRCTYYUGLR-INIZCTEOSA-N 1 1 327.428 4.009 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878524848 1055332737 /nfs/dbraw/zinc/33/27/37/1055332737.db2.gz SYDCUPORNTUWSY-KRWDZBQOSA-N 1 1 349.434 4.439 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878524848 1055332750 /nfs/dbraw/zinc/33/27/50/1055332750.db2.gz SYDCUPORNTUWSY-KRWDZBQOSA-N 1 1 349.434 4.439 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC(C)=C(c2ccco2)C1)c1ccccc1 ZINC000878566804 1055345775 /nfs/dbraw/zinc/34/57/75/1055345775.db2.gz PMWVHMIXQBFMDL-QFIPXVFZSA-N 1 1 348.446 4.199 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1ncccc1Br)c1ccccc1 ZINC000878647922 1055366634 /nfs/dbraw/zinc/36/66/34/1055366634.db2.gz LDASKHUCCZUGMO-MRXNPFEDSA-N 1 1 344.256 4.369 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000127326660 1055394384 /nfs/dbraw/zinc/39/43/84/1055394384.db2.gz RLUOSLVGDIOZRR-UHFFFAOYSA-N 1 1 348.668 4.089 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000878807441 1055402339 /nfs/dbraw/zinc/40/23/39/1055402339.db2.gz BJORPAUXSYZRHX-WZONZLPQSA-N 1 1 346.474 4.089 20 30 EIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422262 1055806518 /nfs/dbraw/zinc/80/65/18/1055806518.db2.gz KAMJHKHLKNDGPZ-WOJBJXKFSA-N 1 1 342.389 4.189 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000542703510 1055850360 /nfs/dbraw/zinc/85/03/60/1055850360.db2.gz UKNLORTWBONMDB-UXHICEINSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000542703510 1055850362 /nfs/dbraw/zinc/85/03/62/1055850362.db2.gz UKNLORTWBONMDB-UXHICEINSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000542703512 1055850748 /nfs/dbraw/zinc/85/07/48/1055850748.db2.gz UKNLORTWBONMDB-WOJBJXKFSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000542703512 1055850751 /nfs/dbraw/zinc/85/07/51/1055850751.db2.gz UKNLORTWBONMDB-WOJBJXKFSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Cl)cccc2C#N)cc1F ZINC000301158383 1055901315 /nfs/dbraw/zinc/90/13/15/1055901315.db2.gz BBNSLNKVIVJEPJ-UHFFFAOYSA-N 1 1 340.789 4.457 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)c(Cl)c2)cc1F ZINC000301285951 1055915940 /nfs/dbraw/zinc/91/59/40/1055915940.db2.gz ZEOGKZGQHSVSQK-UHFFFAOYSA-N 1 1 340.789 4.457 20 30 EIEDMO C[C@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000301365490 1055926641 /nfs/dbraw/zinc/92/66/41/1055926641.db2.gz SCLZGQMMGLFUMV-CQSZACIVSA-N 1 1 348.475 4.027 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000301509132 1055944516 /nfs/dbraw/zinc/94/45/16/1055944516.db2.gz ARTLKFIPKJHOEO-CYBMUJFWSA-N 1 1 347.378 4.134 20 30 EIEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988194 1055963931 /nfs/dbraw/zinc/96/39/31/1055963931.db2.gz YOGOPEPVIUPIBV-RHSMWYFYSA-N 1 1 338.455 4.255 20 30 EIEDMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301876112 1055995437 /nfs/dbraw/zinc/99/54/37/1055995437.db2.gz YKADMWMSQLMFPW-MSOLQXFVSA-N 1 1 329.806 4.208 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301876112 1055995445 /nfs/dbraw/zinc/99/54/45/1055995445.db2.gz YKADMWMSQLMFPW-MSOLQXFVSA-N 1 1 329.806 4.208 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000301868070 1055995972 /nfs/dbraw/zinc/99/59/72/1055995972.db2.gz IPGOWSKKRPZTDG-YOEHRIQHSA-N 1 1 347.249 4.117 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061519 1056012165 /nfs/dbraw/zinc/01/21/65/1056012165.db2.gz RHUWWILXFWBYEY-MSOLQXFVSA-N 1 1 348.494 4.197 20 30 EIEDMO Cc1ccc(CNc2cc(Cl)ccc2C#N)c(N2CCCC2)[nH+]1 ZINC000302063948 1056013182 /nfs/dbraw/zinc/01/31/82/1056013182.db2.gz VEMQDKGRWGFBGQ-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087996 1056014546 /nfs/dbraw/zinc/01/45/46/1056014546.db2.gz ZUCAUICHPULNNJ-CVEARBPZSA-N 1 1 331.891 4.302 20 30 EIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000302733430 1056070898 /nfs/dbraw/zinc/07/08/98/1056070898.db2.gz AFPOXHGVLZNUMT-NRFANRHFSA-N 1 1 336.435 4.173 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302840023 1056078569 /nfs/dbraw/zinc/07/85/69/1056078569.db2.gz ZVFZHTJZXFPCDF-MSOLQXFVSA-N 1 1 347.796 4.347 20 30 EIEDMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412098 1056106775 /nfs/dbraw/zinc/10/67/75/1056106775.db2.gz USAMYIRUSQPIEN-YVHKJVDXSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412098 1056106801 /nfs/dbraw/zinc/10/68/01/1056106801.db2.gz USAMYIRUSQPIEN-YVHKJVDXSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412098 1056106845 /nfs/dbraw/zinc/10/68/45/1056106845.db2.gz USAMYIRUSQPIEN-YVHKJVDXSA-N 1 1 333.479 4.044 20 30 EIEDMO CC[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412334 1056107303 /nfs/dbraw/zinc/10/73/03/1056107303.db2.gz PJXBQWZJSGYKAT-VGSWGCGISA-N 1 1 333.479 4.045 20 30 EIEDMO CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412334 1056107322 /nfs/dbraw/zinc/10/73/22/1056107322.db2.gz PJXBQWZJSGYKAT-VGSWGCGISA-N 1 1 333.479 4.045 20 30 EIEDMO CCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412334 1056107370 /nfs/dbraw/zinc/10/73/70/1056107370.db2.gz PJXBQWZJSGYKAT-VGSWGCGISA-N 1 1 333.479 4.045 20 30 EIEDMO COC[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000921753164 1056447062 /nfs/dbraw/zinc/44/70/62/1056447062.db2.gz YGZIZERBYIKURC-HNNXBMFYSA-N 1 1 340.370 4.116 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 ZINC000741336264 1058202939 /nfs/dbraw/zinc/20/29/39/1058202939.db2.gz UYHFQHJLBNDEBK-UHFFFAOYSA-N 1 1 336.435 4.147 20 30 EIEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741798106 1058380426 /nfs/dbraw/zinc/38/04/26/1058380426.db2.gz QMNMMZXCOCVZBY-AWEZNQCLSA-N 1 1 326.827 4.189 20 30 EIEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741798106 1058380430 /nfs/dbraw/zinc/38/04/30/1058380430.db2.gz QMNMMZXCOCVZBY-AWEZNQCLSA-N 1 1 326.827 4.189 20 30 EIEDMO CCOc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cc(Cl)c1OC ZINC000742381888 1058584343 /nfs/dbraw/zinc/58/43/43/1058584343.db2.gz QJGIWJNDLDKATH-UHFFFAOYSA-N 1 1 348.805 4.048 20 30 EIEDMO CCCCCCCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000742964095 1058822515 /nfs/dbraw/zinc/82/25/15/1058822515.db2.gz XHLJZPSGEYAULX-IBGZPJMESA-N 1 1 330.516 4.470 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743260817 1058901106 /nfs/dbraw/zinc/90/11/06/1058901106.db2.gz JURPHLPYMRDQSC-IBGZPJMESA-N 1 1 328.843 4.157 20 30 EIEDMO CC(=NNc1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000743531218 1059037939 /nfs/dbraw/zinc/03/79/39/1059037939.db2.gz KZGPXGQTZVQEJO-UHFFFAOYSA-N 1 1 349.837 4.256 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCC2 ZINC000746056099 1059999345 /nfs/dbraw/zinc/99/93/45/1059999345.db2.gz SRXGHTXOYSXHFI-UHFFFAOYSA-N 1 1 334.463 4.411 20 30 EIEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853697 1061001625 /nfs/dbraw/zinc/00/16/25/1061001625.db2.gz HHCGKDCDMYJKIU-YLJYHZDGSA-N 1 1 347.462 4.073 20 30 EIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000098068908 219077874 /nfs/dbraw/zinc/07/78/74/219077874.db2.gz LGQODEXYMUJHBJ-UHFFFAOYSA-N 1 1 335.662 4.483 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000098068908 219077875 /nfs/dbraw/zinc/07/78/75/219077875.db2.gz LGQODEXYMUJHBJ-UHFFFAOYSA-N 1 1 335.662 4.483 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000360038548 1032233933 /nfs/dbraw/zinc/23/39/33/1032233933.db2.gz UZNOITDACDSVLY-UHFFFAOYSA-N 1 1 347.418 4.314 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000532925282 1032391244 /nfs/dbraw/zinc/39/12/44/1032391244.db2.gz SZSHLWMLVWFWSN-UHFFFAOYSA-N 1 1 338.451 4.376 20 30 EIEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000532965324 1032415145 /nfs/dbraw/zinc/41/51/45/1032415145.db2.gz MRZAUZQQDONFGD-UHFFFAOYSA-N 1 1 336.435 4.315 20 30 EIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532973257 1032428997 /nfs/dbraw/zinc/42/89/97/1032428997.db2.gz RCQWJUPBPRLXII-SFHVURJKSA-N 1 1 327.472 4.178 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749888 1032460006 /nfs/dbraw/zinc/46/00/06/1032460006.db2.gz NOSRDWFKAONKPL-ACJLOTCBSA-N 1 1 341.480 4.252 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288561 1032600470 /nfs/dbraw/zinc/60/04/70/1032600470.db2.gz OPRQJBMBLRPQRY-DLBZAZTESA-N 1 1 334.529 4.478 20 30 EIEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000450671517 1032645170 /nfs/dbraw/zinc/64/51/70/1032645170.db2.gz VVVZRDZYUMMGCA-INIZCTEOSA-N 1 1 333.435 4.283 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533347969 1032656719 /nfs/dbraw/zinc/65/67/19/1032656719.db2.gz WREUGYNCBQYZFC-SFHVURJKSA-N 1 1 346.352 4.169 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533347969 1032656729 /nfs/dbraw/zinc/65/67/29/1032656729.db2.gz WREUGYNCBQYZFC-SFHVURJKSA-N 1 1 346.352 4.169 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000533360759 1032673475 /nfs/dbraw/zinc/67/34/75/1032673475.db2.gz FBTPMKAMTQIOOJ-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC)c1ccc(Cl)cc1 ZINC000512411051 1032708075 /nfs/dbraw/zinc/70/80/75/1032708075.db2.gz WSUGTBATCRPUJF-IBGZPJMESA-N 1 1 349.858 4.191 20 30 EIEDMO C=CCCC[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000533438178 1032745969 /nfs/dbraw/zinc/74/59/69/1032745969.db2.gz FXHHNQVZVHGWPC-UHFFFAOYSA-N 1 1 343.492 4.226 20 30 EIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000432775345 1032768451 /nfs/dbraw/zinc/76/84/51/1032768451.db2.gz UMRCLIDEPXPWJA-HNNXBMFYSA-N 1 1 347.418 4.326 20 30 EIEDMO N#CCCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000399463590 1018736952 /nfs/dbraw/zinc/73/69/52/1018736952.db2.gz MMRARBPOAHMYHD-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000274545821 1018784257 /nfs/dbraw/zinc/78/42/57/1018784257.db2.gz COTUZQULOVXWDU-NXEZZACHSA-N 1 1 325.359 4.445 20 30 EIEDMO C=CCC(CC=C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510074325 1019070644 /nfs/dbraw/zinc/07/06/44/1019070644.db2.gz UWWQJXVIGUSOER-ICSRJNTNSA-N 1 1 340.511 4.172 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC001167070771 1019409236 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CCC(CC)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000728913949 1032861856 /nfs/dbraw/zinc/86/18/56/1032861856.db2.gz FHIGDLVPBJEHMQ-OAHLLOKOSA-N 1 1 341.480 4.126 20 30 EIEDMO CCC(CC)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000728913949 1032861858 /nfs/dbraw/zinc/86/18/58/1032861858.db2.gz FHIGDLVPBJEHMQ-OAHLLOKOSA-N 1 1 341.480 4.126 20 30 EIEDMO CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000255037305 1020062744 /nfs/dbraw/zinc/06/27/44/1020062744.db2.gz ASLOXXVZGDUESN-XGICHPGQSA-N 1 1 345.402 4.035 20 30 EIEDMO CC(C)C[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001167298286 1020954415 /nfs/dbraw/zinc/95/44/15/1020954415.db2.gz KGGRPTYGMDOAPJ-MRXNPFEDSA-N 1 1 325.374 4.447 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(C#N)c1C ZINC000177242915 1020961665 /nfs/dbraw/zinc/96/16/65/1020961665.db2.gz UGQPEPZNDUZDMJ-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(C#N)c1C ZINC000177242915 1020961672 /nfs/dbraw/zinc/96/16/72/1020961672.db2.gz UGQPEPZNDUZDMJ-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](C)Cc2ccc3ccccc3c2)c1C#N ZINC000535977450 1020966658 /nfs/dbraw/zinc/96/66/58/1020966658.db2.gz FZLGSZNIIOZTBJ-UHFFFAOYSA-N 1 1 344.414 4.130 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc3ccccc3c2)c1C#N ZINC000535977450 1020966670 /nfs/dbraw/zinc/96/66/70/1020966670.db2.gz FZLGSZNIIOZTBJ-UHFFFAOYSA-N 1 1 344.414 4.130 20 30 EIEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2/C=C/c2cccs2)CCOCC1 ZINC000375622559 1020998361 /nfs/dbraw/zinc/99/83/61/1020998361.db2.gz BMCUAMZDBBDCPY-DKRLNXSXSA-N 1 1 330.497 4.326 20 30 EIEDMO CC(=NNc1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133520 1021303401 /nfs/dbraw/zinc/30/34/01/1021303401.db2.gz NHYKGWPUBZQYRF-UHFFFAOYSA-N 1 1 349.837 4.256 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001266555710 1021366280 /nfs/dbraw/zinc/36/62/80/1021366280.db2.gz RKNCSYGFMKJRDV-SLFFLAALSA-N 1 1 340.511 4.006 20 30 EIEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000376098282 1021442466 /nfs/dbraw/zinc/44/24/66/1021442466.db2.gz PRINMMUMICXJFU-GOSISDBHSA-N 1 1 329.488 4.127 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C)cc1OCCCC#N ZINC000160527483 1021832324 /nfs/dbraw/zinc/83/23/24/1021832324.db2.gz FQDMONZEOFEHTO-UHFFFAOYSA-N 1 1 338.451 4.318 20 30 EIEDMO Cc1[nH+]ccn1-c1ccccc1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613417182 1021991877 /nfs/dbraw/zinc/99/18/77/1021991877.db2.gz ADDGKZLXPZOOAW-UHFFFAOYSA-N 1 1 345.450 4.357 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H]1c1ccccc1 ZINC000613430900 1022012451 /nfs/dbraw/zinc/01/24/51/1022012451.db2.gz HXOBHTQIGOWVSS-HKUYNNGSSA-N 1 1 334.467 4.108 20 30 EIEDMO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096884 1022025205 /nfs/dbraw/zinc/02/52/05/1022025205.db2.gz RTXHMNDNJXFZND-IYBDPMFKSA-N 1 1 336.435 4.129 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377833420 1022038955 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Cc1cc(C#N)cc(C)c1C[N@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001167443160 1022804578 /nfs/dbraw/zinc/80/45/78/1022804578.db2.gz NWZAMWCSLIUKKR-FQEVSTJZSA-N 1 1 347.506 4.272 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001167443160 1022804580 /nfs/dbraw/zinc/80/45/80/1022804580.db2.gz NWZAMWCSLIUKKR-FQEVSTJZSA-N 1 1 347.506 4.272 20 30 EIEDMO COc1ccc([C@H](CCC#N)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000581051442 1022814080 /nfs/dbraw/zinc/81/40/80/1022814080.db2.gz LXKMHNVJKTZZOJ-NRFANRHFSA-N 1 1 346.434 4.016 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC001167447060 1022838962 /nfs/dbraw/zinc/83/89/62/1022838962.db2.gz GZXXHDJQNSTOJL-GOSISDBHSA-N 1 1 330.472 4.236 20 30 EIEDMO C=CCCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000581198792 1022868366 /nfs/dbraw/zinc/86/83/66/1022868366.db2.gz XVRORNJBDGQBMX-XAUMDUMWSA-N 1 1 329.488 4.120 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172296 1023175212 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ZINC000444657523 1027926059 /nfs/dbraw/zinc/92/60/59/1027926059.db2.gz CYODCCMFOXFSSG-UHFFFAOYSA-N 1 1 336.504 4.325 20 30 EIEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668374 1027950404 /nfs/dbraw/zinc/95/04/04/1027950404.db2.gz USMDUWAZKDZHON-ZBFHGGJFSA-N 1 1 333.501 4.076 20 30 EIEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668371 1027953842 /nfs/dbraw/zinc/95/38/42/1027953842.db2.gz USMDUWAZKDZHON-GOEBONIOSA-N 1 1 333.501 4.076 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)s1 ZINC000444763216 1028030096 /nfs/dbraw/zinc/03/00/96/1028030096.db2.gz TYVURCRAZWYTJW-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO Cn1c2ccc(NCc3ccc(C#N)cc3F)cc2[nH+]c1C(C)(C)C ZINC000536337300 1028030039 /nfs/dbraw/zinc/03/00/39/1028030039.db2.gz VYIGUHICPNOOKI-UHFFFAOYSA-N 1 1 336.414 4.494 20 30 EIEDMO Cc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000444745008 1028031418 /nfs/dbraw/zinc/03/14/18/1028031418.db2.gz RTJPBIMPNJBYHP-UHFFFAOYSA-N 1 1 348.425 4.038 20 30 EIEDMO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167656285 1028106987 /nfs/dbraw/zinc/10/69/87/1028106987.db2.gz IIYJCZWUAIUFAS-FQEVSTJZSA-N 1 1 335.407 4.222 20 30 EIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167656285 1028106995 /nfs/dbraw/zinc/10/69/95/1028106995.db2.gz IIYJCZWUAIUFAS-FQEVSTJZSA-N 1 1 335.407 4.222 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329785864 1028123924 /nfs/dbraw/zinc/12/39/24/1028123924.db2.gz QFOXZIKJTFEKAK-CQSZACIVSA-N 1 1 333.476 4.066 20 30 EIEDMO C=C1CC(c2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)C1 ZINC000896885522 1028179138 /nfs/dbraw/zinc/17/91/38/1028179138.db2.gz ZKMVUSNHQNGTPU-OAHLLOKOSA-N 1 1 327.403 4.022 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccc(F)c(F)c1 ZINC000187780466 1028209475 /nfs/dbraw/zinc/20/94/75/1028209475.db2.gz KOTKLOGQXALRMA-SFHVURJKSA-N 1 1 331.362 4.158 20 30 EIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC=CCC1 ZINC000346322192 1028372246 /nfs/dbraw/zinc/37/22/46/1028372246.db2.gz HUQJONAIWQHISR-SFHVURJKSA-N 1 1 334.467 4.252 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000150887993 1028457124 /nfs/dbraw/zinc/45/71/24/1028457124.db2.gz CLKSEGODHLCZFP-ZDUSSCGKSA-N 1 1 333.501 4.341 20 30 EIEDMO Cc1ccc([C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)c(C)c1 ZINC000281358279 1028561132 /nfs/dbraw/zinc/56/11/32/1028561132.db2.gz NPGVTLUYYXIRRI-IBGZPJMESA-N 1 1 326.484 4.193 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000346723129 1028609349 /nfs/dbraw/zinc/60/93/49/1028609349.db2.gz SHULVXRMXSAFNW-MRXNPFEDSA-N 1 1 329.488 4.096 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187782087 1028791334 /nfs/dbraw/zinc/79/13/34/1028791334.db2.gz RAFYSIHCEAUTPL-XOBRGWDASA-N 1 1 344.405 4.049 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000444082907 1028850570 /nfs/dbraw/zinc/85/05/70/1028850570.db2.gz XGXCOGOJOVECNJ-OAQYLSRUSA-N 1 1 347.462 4.286 20 30 EIEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000281819760 1028879067 /nfs/dbraw/zinc/87/90/67/1028879067.db2.gz HNOIUNKTNPTSON-OAHLLOKOSA-N 1 1 340.858 4.128 20 30 EIEDMO CCC[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445797438 1028914414 /nfs/dbraw/zinc/91/44/14/1028914414.db2.gz ADJWWBAXPNGKNE-UHFFFAOYSA-N 1 1 344.462 4.215 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246586645 1029091469 /nfs/dbraw/zinc/09/14/69/1029091469.db2.gz ZWFFZSIVRWPZMB-IHPCNDPISA-N 1 1 343.515 4.066 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000444231815 1029102906 /nfs/dbraw/zinc/10/29/06/1029102906.db2.gz JMKWMSVXVOPMQR-UHFFFAOYSA-N 1 1 336.863 4.263 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000444231815 1029102910 /nfs/dbraw/zinc/10/29/10/1029102910.db2.gz JMKWMSVXVOPMQR-UHFFFAOYSA-N 1 1 336.863 4.263 20 30 EIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254146 1029114941 /nfs/dbraw/zinc/11/49/41/1029114941.db2.gz VTWUETOWGPQCRO-RDJZCZTQSA-N 1 1 345.512 4.141 20 30 EIEDMO CCN(CC)c1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000130446257 1029183258 /nfs/dbraw/zinc/18/32/58/1029183258.db2.gz AWJAMCMOSHICSL-QGZVFWFLSA-N 1 1 328.485 4.124 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000101559232 1029218444 /nfs/dbraw/zinc/21/84/44/1029218444.db2.gz KQCCWDAJGPNYQT-UHFFFAOYSA-N 1 1 331.419 4.278 20 30 EIEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000168211288 1029286507 /nfs/dbraw/zinc/28/65/07/1029286507.db2.gz PLUXCNZWFXUABB-MRVPVSSYSA-N 1 1 337.030 4.147 20 30 EIEDMO Cc1cnc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)s1 ZINC000525182484 1029499873 /nfs/dbraw/zinc/49/98/73/1029499873.db2.gz FYQUNORKYYWRGE-UHFFFAOYSA-N 1 1 349.459 4.192 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4cccc(Cl)c4)CC3)n2c1 ZINC000475428013 1029635827 /nfs/dbraw/zinc/63/58/27/1029635827.db2.gz JAXSQXLQWDTFMF-UHFFFAOYSA-N 1 1 348.837 4.149 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4cccc(Cl)c4)CC3)n2c1 ZINC000475428013 1029635833 /nfs/dbraw/zinc/63/58/33/1029635833.db2.gz JAXSQXLQWDTFMF-UHFFFAOYSA-N 1 1 348.837 4.149 20 30 EIEDMO Cc1cc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)ccc1F ZINC000446972975 1029662069 /nfs/dbraw/zinc/66/20/69/1029662069.db2.gz BRCJWYXMWRCRBO-UHFFFAOYSA-N 1 1 326.415 4.449 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(Cl)c(C#N)s1 ZINC000278720526 1029732803 /nfs/dbraw/zinc/73/28/03/1029732803.db2.gz OUMNCRKULPOHRR-UHFFFAOYSA-N 1 1 334.876 4.120 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000428344762 1029755125 /nfs/dbraw/zinc/75/51/25/1029755125.db2.gz KDFSBUGEVVFDES-ZDUSSCGKSA-N 1 1 342.389 4.476 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080959055 1029767378 /nfs/dbraw/zinc/76/73/78/1029767378.db2.gz HZJMAAFVMATPNN-HXUWFJFHSA-N 1 1 342.446 4.328 20 30 EIEDMO C=CCCC[C@@H](C(=O)N1CCC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC001625951347 1029956230 /nfs/dbraw/zinc/95/62/30/1029956230.db2.gz YHNAIENLWDIBHS-AZUAARDMSA-N 1 1 328.500 4.069 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000361285146 1030025652 /nfs/dbraw/zinc/02/56/52/1030025652.db2.gz BWZPJDRYYYEDGK-UHFFFAOYSA-N 1 1 331.341 4.160 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000361285146 1030025670 /nfs/dbraw/zinc/02/56/70/1030025670.db2.gz BWZPJDRYYYEDGK-UHFFFAOYSA-N 1 1 331.341 4.160 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441278205 1030121863 /nfs/dbraw/zinc/12/18/63/1030121863.db2.gz RBXVMONFMZWOQN-FCHUYYIVSA-N 1 1 346.474 4.474 20 30 EIEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000158893562 1030168631 /nfs/dbraw/zinc/16/86/31/1030168631.db2.gz INJJMUIQBQUOOH-OAHLLOKOSA-N 1 1 347.418 4.415 20 30 EIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000158893562 1030168644 /nfs/dbraw/zinc/16/86/44/1030168644.db2.gz INJJMUIQBQUOOH-OAHLLOKOSA-N 1 1 347.418 4.415 20 30 EIEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000429718869 1030231970 /nfs/dbraw/zinc/23/19/70/1030231970.db2.gz BFZKARFFTUAZGY-UHFFFAOYSA-N 1 1 347.890 4.243 20 30 EIEDMO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)n1 ZINC000278778135 1030244165 /nfs/dbraw/zinc/24/41/65/1030244165.db2.gz NKYMFLWIHGOWNC-OAHLLOKOSA-N 1 1 349.500 4.177 20 30 EIEDMO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)n1 ZINC000278778135 1030244185 /nfs/dbraw/zinc/24/41/85/1030244185.db2.gz NKYMFLWIHGOWNC-OAHLLOKOSA-N 1 1 349.500 4.177 20 30 EIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000451140671 1030253821 /nfs/dbraw/zinc/25/38/21/1030253821.db2.gz CFUSYIJTHLCTKD-ZNMIVQPWSA-N 1 1 332.410 4.138 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000447686265 1030274189 /nfs/dbraw/zinc/27/41/89/1030274189.db2.gz POPFXJXEEVXSJD-UWJYYQICSA-N 1 1 348.494 4.150 20 30 EIEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939187 1030521926 /nfs/dbraw/zinc/52/19/26/1030521926.db2.gz QUQXIDJDVLPUOD-SCLBCKFNSA-N 1 1 327.453 4.080 20 30 EIEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939187 1030521939 /nfs/dbraw/zinc/52/19/39/1030521939.db2.gz QUQXIDJDVLPUOD-SCLBCKFNSA-N 1 1 327.453 4.080 20 30 EIEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000451607896 1030593747 /nfs/dbraw/zinc/59/37/47/1030593747.db2.gz QYBBKAHVUQLZEQ-MAZHCROVSA-N 1 1 332.831 4.298 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000527481539 1030715658 /nfs/dbraw/zinc/71/56/58/1030715658.db2.gz YQTPEHHXKUPNGP-HNNXBMFYSA-N 1 1 348.475 4.051 20 30 EIEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001142388511 1030778148 /nfs/dbraw/zinc/77/81/48/1030778148.db2.gz YOOQHZFSSAGTFY-SFHVURJKSA-N 1 1 338.451 4.025 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530963518 1030817001 /nfs/dbraw/zinc/81/70/01/1030817001.db2.gz CJOLNMUCAJZYOO-SFHVURJKSA-N 1 1 330.353 4.289 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530963518 1030817003 /nfs/dbraw/zinc/81/70/03/1030817003.db2.gz CJOLNMUCAJZYOO-SFHVURJKSA-N 1 1 330.353 4.289 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccc2)c1C ZINC000051428757 1030854896 /nfs/dbraw/zinc/85/48/96/1030854896.db2.gz SISVDVQEJJLRLJ-LJQANCHMSA-N 1 1 349.478 4.243 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2sccc2C#N)cc1 ZINC000052031705 1030952590 /nfs/dbraw/zinc/95/25/90/1030952590.db2.gz MAPZNKRHUNWGSL-AWEZNQCLSA-N 1 1 339.464 4.246 20 30 EIEDMO CCC(C#N)(CC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000527972239 1030983332 /nfs/dbraw/zinc/98/33/32/1030983332.db2.gz JUVVJOKLRLHCEQ-QGZVFWFLSA-N 1 1 341.499 4.007 20 30 EIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610788829 1030991477 /nfs/dbraw/zinc/99/14/77/1030991477.db2.gz UIQFEUARDWXUQB-QFIPXVFZSA-N 1 1 347.462 4.142 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2CCC2)ccc1Cl ZINC000347369815 1031053374 /nfs/dbraw/zinc/05/33/74/1031053374.db2.gz HWNKGBZLUIAGDH-UHFFFAOYSA-N 1 1 347.890 4.158 20 30 EIEDMO COCc1cccc(OCC2(C[N@H+]3CCC[C@](C)(C#N)C3)CCC2)c1 ZINC000612161522 1031074191 /nfs/dbraw/zinc/07/41/91/1031074191.db2.gz FKNKYNHNDHFZMG-HXUWFJFHSA-N 1 1 342.483 4.008 20 30 EIEDMO CC[N@@H+](Cc1ccccc1OCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464008 1031078935 /nfs/dbraw/zinc/07/89/35/1031078935.db2.gz UXDHFMDAZZKQFO-KRWDZBQOSA-N 1 1 338.451 4.167 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787265 1031291975 /nfs/dbraw/zinc/29/19/75/1031291975.db2.gz JAEPWVRMMHVNDE-MRXNPFEDSA-N 1 1 336.410 4.406 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1C(F)(F)F ZINC000528356605 1031431937 /nfs/dbraw/zinc/43/19/37/1031431937.db2.gz ZJTDJWIEAFFXSC-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1C(F)(F)F ZINC000528356605 1031431950 /nfs/dbraw/zinc/43/19/50/1031431950.db2.gz ZJTDJWIEAFFXSC-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1F ZINC000449239338 1031575324 /nfs/dbraw/zinc/57/53/24/1031575324.db2.gz JEGVRONQSRVSSK-PSLIRLAXSA-N 1 1 334.316 4.453 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1F ZINC000365270880 1031584019 /nfs/dbraw/zinc/58/40/19/1031584019.db2.gz FYWSUICATQCACB-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1F ZINC000365270880 1031584034 /nfs/dbraw/zinc/58/40/34/1031584034.db2.gz FYWSUICATQCACB-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000449348823 1031645804 /nfs/dbraw/zinc/64/58/04/1031645804.db2.gz HCPNDDKIZPUTMJ-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000449348823 1031645817 /nfs/dbraw/zinc/64/58/17/1031645817.db2.gz HCPNDDKIZPUTMJ-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO N#Cc1c(F)ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1Cl ZINC000365379040 1031653996 /nfs/dbraw/zinc/65/39/96/1031653996.db2.gz IWAJVSHUCGJCRP-IEBWSBKVSA-N 1 1 344.817 4.361 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c(OC(F)F)c1 ZINC000528660907 1031727832 /nfs/dbraw/zinc/72/78/32/1031727832.db2.gz STJKNQSCAHDBFE-GOSISDBHSA-N 1 1 343.377 4.186 20 30 EIEDMO CS[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449445222 1031740179 /nfs/dbraw/zinc/74/01/79/1031740179.db2.gz HVPQWSNLLKBXLN-HXUWFJFHSA-N 1 1 338.476 4.075 20 30 EIEDMO CC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](C)C#N ZINC000459327341 1031820803 /nfs/dbraw/zinc/82/08/03/1031820803.db2.gz NTTLCZQFGOXJBD-MRXNPFEDSA-N 1 1 337.471 4.042 20 30 EIEDMO CC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](C)C#N ZINC000459327341 1031820816 /nfs/dbraw/zinc/82/08/16/1031820816.db2.gz NTTLCZQFGOXJBD-MRXNPFEDSA-N 1 1 337.471 4.042 20 30 EIEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324862 1031924818 /nfs/dbraw/zinc/92/48/18/1031924818.db2.gz KQFRTXWPZBSQII-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324862 1031924835 /nfs/dbraw/zinc/92/48/35/1031924835.db2.gz KQFRTXWPZBSQII-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1csc2ccccc12 ZINC000052805667 1032005217 /nfs/dbraw/zinc/00/52/17/1032005217.db2.gz WOZYZTFRGZMTIL-CQSZACIVSA-N 1 1 349.459 4.232 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805667 1032005240 /nfs/dbraw/zinc/00/52/40/1032005240.db2.gz WOZYZTFRGZMTIL-CQSZACIVSA-N 1 1 349.459 4.232 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cc1 ZINC000512553044 1033334266 /nfs/dbraw/zinc/33/42/66/1033334266.db2.gz XVRXCJHIACSTHK-UHFFFAOYSA-N 1 1 327.472 4.441 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cc1 ZINC000512553044 1033334284 /nfs/dbraw/zinc/33/42/84/1033334284.db2.gz XVRXCJHIACSTHK-UHFFFAOYSA-N 1 1 327.472 4.441 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000429841482 1033394493 /nfs/dbraw/zinc/39/44/93/1033394493.db2.gz XJCCWLMMMYBGNP-QGZVFWFLSA-N 1 1 328.500 4.280 20 30 EIEDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614159666 1033528353 /nfs/dbraw/zinc/52/83/53/1033528353.db2.gz OAQFGHQIFXUOOQ-UHFFFAOYSA-N 1 1 338.451 4.007 20 30 EIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166502 1033549672 /nfs/dbraw/zinc/54/96/72/1033549672.db2.gz MQQFJAZBPZHAMM-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000614174242 1033572294 /nfs/dbraw/zinc/57/22/94/1033572294.db2.gz IDCVCJJFDGNVMN-KRWDZBQOSA-N 1 1 326.465 4.123 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000614174242 1033572334 /nfs/dbraw/zinc/57/23/34/1033572334.db2.gz IDCVCJJFDGNVMN-KRWDZBQOSA-N 1 1 326.465 4.123 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1F ZINC000512659548 1033646028 /nfs/dbraw/zinc/64/60/28/1033646028.db2.gz HWGPHBIEAGRYMN-JKSUJKDBSA-N 1 1 348.425 4.354 20 30 EIEDMO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1F ZINC000512661343 1033652593 /nfs/dbraw/zinc/65/25/93/1033652593.db2.gz RFTKYTXJKAOGPX-AWEZNQCLSA-N 1 1 339.414 4.265 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000433038118 1033706351 /nfs/dbraw/zinc/70/63/51/1033706351.db2.gz ICBCMGFBIUXRCW-OAQYLSRUSA-N 1 1 332.447 4.105 20 30 EIEDMO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC#N)cc1 ZINC000338045911 1033936497 /nfs/dbraw/zinc/93/64/97/1033936497.db2.gz YEQNRWJEXZWLCZ-UHFFFAOYSA-N 1 1 330.435 4.105 20 30 EIEDMO Cc1cccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000428756008 1034294214 /nfs/dbraw/zinc/29/42/14/1034294214.db2.gz DKHUGHOZEHODTO-UHFFFAOYSA-N 1 1 344.462 4.208 20 30 EIEDMO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000614417761 1034583196 /nfs/dbraw/zinc/58/31/96/1034583196.db2.gz GEYOSOQSOGHBSV-LJQANCHMSA-N 1 1 339.439 4.029 20 30 EIEDMO C[N@@H+](CCOCCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929504 1034784005 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C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000595072678 1035555864 /nfs/dbraw/zinc/55/58/64/1035555864.db2.gz JYXFGHAMKZWDDK-BZNIZROVSA-N 1 1 344.352 4.238 20 30 EIEDMO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(OCc2ccccc2)n1 ZINC000595623336 1035735577 /nfs/dbraw/zinc/73/55/77/1035735577.db2.gz NIHZCYXNBBZAEC-LJQANCHMSA-N 1 1 349.478 4.403 20 30 EIEDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c(OCc2ccccc2)n1 ZINC000595623336 1035735597 /nfs/dbraw/zinc/73/55/97/1035735597.db2.gz NIHZCYXNBBZAEC-LJQANCHMSA-N 1 1 349.478 4.403 20 30 EIEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619404 1035738489 /nfs/dbraw/zinc/73/84/89/1035738489.db2.gz AGBXNTUVUMLKAZ-DYVFJYSZSA-N 1 1 333.273 4.452 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000761123340 1035745236 /nfs/dbraw/zinc/74/52/36/1035745236.db2.gz KYRTYVTXMBVZKZ-FGZHOGPDSA-N 1 1 334.463 4.079 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595615778 1035748253 /nfs/dbraw/zinc/74/82/53/1035748253.db2.gz NSQQNCBXIWDPKO-GOSISDBHSA-N 1 1 347.462 4.308 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595615082 1035750481 /nfs/dbraw/zinc/75/04/81/1035750481.db2.gz OWQZZWRTUPWUPV-RKLPNKIQSA-N 1 1 333.273 4.478 20 30 EIEDMO N#CC[C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000596330733 1035853860 /nfs/dbraw/zinc/85/38/60/1035853860.db2.gz NZRIUOIGGGTTNX-LBPRGKRZSA-N 1 1 330.229 4.127 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000597021724 1036077010 /nfs/dbraw/zinc/07/70/10/1036077010.db2.gz RHOYVYPSPUAZLH-BEFAXECRSA-N 1 1 338.476 4.265 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000597021724 1036077036 /nfs/dbraw/zinc/07/70/36/1036077036.db2.gz RHOYVYPSPUAZLH-BEFAXECRSA-N 1 1 338.476 4.265 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)cc2)CC1 ZINC000597026568 1036078287 /nfs/dbraw/zinc/07/82/87/1036078287.db2.gz KNUWAWMCDSWQEW-QFIPXVFZSA-N 1 1 346.474 4.075 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421115198 1036079738 /nfs/dbraw/zinc/07/97/38/1036079738.db2.gz WPCJGIWNBIFZDY-KRWDZBQOSA-N 1 1 329.488 4.096 20 30 EIEDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597017561 1036082309 /nfs/dbraw/zinc/08/23/09/1036082309.db2.gz VYVCCRHYSYHLQK-UHFFFAOYSA-N 1 1 337.492 4.209 20 30 EIEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597017561 1036082332 /nfs/dbraw/zinc/08/23/32/1036082332.db2.gz VYVCCRHYSYHLQK-UHFFFAOYSA-N 1 1 337.492 4.209 20 30 EIEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084966 1036098468 /nfs/dbraw/zinc/09/84/68/1036098468.db2.gz DDEZEJFVOFGQFY-NRFANRHFSA-N 1 1 334.463 4.015 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088703 1036099911 /nfs/dbraw/zinc/09/99/11/1036099911.db2.gz MOAJPXVGMAFFOJ-LJQANCHMSA-N 1 1 336.435 4.318 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C2CC2)ccc1O ZINC000597088470 1036101223 /nfs/dbraw/zinc/10/12/23/1036101223.db2.gz NMASVENIPQGZKW-UHFFFAOYSA-N 1 1 348.446 4.121 20 30 EIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000597137696 1036119054 /nfs/dbraw/zinc/11/90/54/1036119054.db2.gz XLDVVQSXJTTZMO-LJQANCHMSA-N 1 1 340.854 4.061 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597174683 1036141116 /nfs/dbraw/zinc/14/11/16/1036141116.db2.gz SSLULLASIGUNJR-LBPRGKRZSA-N 1 1 337.250 4.395 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597231521 1036165497 /nfs/dbraw/zinc/16/54/97/1036165497.db2.gz ZGQUCRALJZKZIL-QGZVFWFLSA-N 1 1 327.409 4.059 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597231521 1036165514 /nfs/dbraw/zinc/16/55/14/1036165514.db2.gz ZGQUCRALJZKZIL-QGZVFWFLSA-N 1 1 327.409 4.059 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(O)c(OC)c1 ZINC000164519715 1036168633 /nfs/dbraw/zinc/16/86/33/1036168633.db2.gz JTDCNBDURLBOMI-IBGZPJMESA-N 1 1 338.451 4.170 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC001168381201 1036173463 /nfs/dbraw/zinc/17/34/63/1036173463.db2.gz DWSRPFLSZAJIHW-FQEVSTJZSA-N 1 1 349.519 4.039 20 30 EIEDMO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCCCC1 ZINC000060599148 1036277824 /nfs/dbraw/zinc/27/78/24/1036277824.db2.gz DLVUMBZUZIPBEE-UHFFFAOYSA-N 1 1 341.499 4.226 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](C)CCC#N ZINC000602428982 1036445962 /nfs/dbraw/zinc/44/59/62/1036445962.db2.gz AUKOXUDFZCKHQF-LBPRGKRZSA-N 1 1 342.270 4.194 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000602450291 1036450714 /nfs/dbraw/zinc/45/07/14/1036450714.db2.gz WVOXACMPFMIGSS-HNNXBMFYSA-N 1 1 328.435 4.020 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508025 1036482880 /nfs/dbraw/zinc/48/28/80/1036482880.db2.gz KWQYTAAKHLJOBL-IFMALSPDSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508025 1036482885 /nfs/dbraw/zinc/48/28/85/1036482885.db2.gz KWQYTAAKHLJOBL-IFMALSPDSA-N 1 1 331.463 4.016 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000502727686 1036583829 /nfs/dbraw/zinc/58/38/29/1036583829.db2.gz SDYIYYXTMVPPMQ-HNNXBMFYSA-N 1 1 326.444 4.261 20 30 EIEDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CC2(CC#N)CC2)C3)cs1 ZINC000602799065 1036624622 /nfs/dbraw/zinc/62/46/22/1036624622.db2.gz QXIALQUTWCHFDP-UHFFFAOYSA-N 1 1 329.494 4.232 20 30 EIEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC2(CC#N)CC2)C3)cs1 ZINC000602799065 1036624640 /nfs/dbraw/zinc/62/46/40/1036624640.db2.gz QXIALQUTWCHFDP-UHFFFAOYSA-N 1 1 329.494 4.232 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000588980535 1036631292 /nfs/dbraw/zinc/63/12/92/1036631292.db2.gz XDAXTDCIPLDBRC-UHFFFAOYSA-N 1 1 330.378 4.144 20 30 EIEDMO C[C@H](c1c(F)cccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909773 1036664065 /nfs/dbraw/zinc/66/40/65/1036664065.db2.gz OENLAYPTGRAUFD-CYBMUJFWSA-N 1 1 327.378 4.172 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979155 1036687930 /nfs/dbraw/zinc/68/79/30/1036687930.db2.gz ANAPWIYPMYIMHP-GHTZIAJQSA-N 1 1 347.462 4.306 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598587736 1036707471 /nfs/dbraw/zinc/70/74/71/1036707471.db2.gz UTWDWXCHKQPMGU-AAEUAGOBSA-N 1 1 329.271 4.287 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000598598032 1036711579 /nfs/dbraw/zinc/71/15/79/1036711579.db2.gz MOOYIQMXUYGCEC-NRFANRHFSA-N 1 1 349.478 4.014 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000598676376 1036750998 /nfs/dbraw/zinc/75/09/98/1036750998.db2.gz POCGSTSPWGGUFD-GOSISDBHSA-N 1 1 344.462 4.190 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000598676376 1036751016 /nfs/dbraw/zinc/75/10/16/1036751016.db2.gz POCGSTSPWGGUFD-GOSISDBHSA-N 1 1 344.462 4.190 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598725422 1036762116 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CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2cc(F)ccc2O1 ZINC000593674603 1036874411 /nfs/dbraw/zinc/87/44/11/1036874411.db2.gz ZKMSFNKIYFLYFS-KRWDZBQOSA-N 1 1 328.362 4.228 20 30 EIEDMO C[C@H]1C[C@H]1c1ccc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593688318 1036886430 /nfs/dbraw/zinc/88/64/30/1036886430.db2.gz OOULUXPNCBJCFB-HRAATJIYSA-N 1 1 349.478 4.029 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000603681493 1036938818 /nfs/dbraw/zinc/93/88/18/1036938818.db2.gz YADDFQKZUIYMGD-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000603681493 1036938834 /nfs/dbraw/zinc/93/88/34/1036938834.db2.gz YADDFQKZUIYMGD-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO Cc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cc1C#N ZINC000599378197 1036975305 /nfs/dbraw/zinc/97/53/05/1036975305.db2.gz HHFAOHIZEHBOCA-CYBMUJFWSA-N 1 1 340.377 4.462 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@H]1CC[C@H](C#N)C1 ZINC000590157708 1036992412 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EIEDMO CCN(Cc1ccccc1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490093 1037401932 /nfs/dbraw/zinc/40/19/32/1037401932.db2.gz ZJNSXWNZUYZQQN-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521518 1037403379 /nfs/dbraw/zinc/40/33/79/1037403379.db2.gz OEWIEAYMBBLSJE-FPOVZHCZSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H](CCc1cccc(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573606825 1037599802 /nfs/dbraw/zinc/59/98/02/1037599802.db2.gz GCDXYZKPVUTGCJ-QGZVFWFLSA-N 1 1 340.442 4.167 20 30 EIEDMO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667067 1037706859 /nfs/dbraw/zinc/70/68/59/1037706859.db2.gz CUFJFDACYULDDT-DLBZAZTESA-N 1 1 335.451 4.481 20 30 EIEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667067 1037706875 /nfs/dbraw/zinc/70/68/75/1037706875.db2.gz CUFJFDACYULDDT-DLBZAZTESA-N 1 1 335.451 4.481 20 30 EIEDMO CC(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000592100706 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C=CCC[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000606897882 1038297678 /nfs/dbraw/zinc/29/76/78/1038297678.db2.gz LQIZMOGQKNHLFR-UHFFFAOYSA-N 1 1 345.870 4.289 20 30 EIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490032797 1038310098 /nfs/dbraw/zinc/31/00/98/1038310098.db2.gz BZXOOUJGKCGOCT-QGZVFWFLSA-N 1 1 335.451 4.106 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031431 1038310870 /nfs/dbraw/zinc/31/08/70/1038310870.db2.gz IXIJANOCKPOKRY-KRWDZBQOSA-N 1 1 329.488 4.364 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000490092984 1038344555 /nfs/dbraw/zinc/34/45/55/1038344555.db2.gz OMMAZVPMNZWTIG-LJQANCHMSA-N 1 1 328.843 4.226 20 30 EIEDMO CC(C)(C#N)c1ccc(CNC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000594495576 1038344884 /nfs/dbraw/zinc/34/48/84/1038344884.db2.gz CIMMBNAINOXWSD-UHFFFAOYSA-N 1 1 339.527 4.232 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000594516826 1038358058 /nfs/dbraw/zinc/35/80/58/1038358058.db2.gz DRFYHPXZUZZKSB-UHFFFAOYSA-N 1 1 336.332 4.334 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000594522223 1038363441 /nfs/dbraw/zinc/36/34/41/1038363441.db2.gz KAXUWVWFRZCXCL-NRFANRHFSA-N 1 1 347.506 4.099 20 30 EIEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000594522223 1038363452 /nfs/dbraw/zinc/36/34/52/1038363452.db2.gz KAXUWVWFRZCXCL-NRFANRHFSA-N 1 1 347.506 4.099 20 30 EIEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000594522223 1038363467 /nfs/dbraw/zinc/36/34/67/1038363467.db2.gz KAXUWVWFRZCXCL-NRFANRHFSA-N 1 1 347.506 4.099 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000490176652 1038372782 /nfs/dbraw/zinc/37/27/82/1038372782.db2.gz QJMNKQLTCRPOHB-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(C(F)(F)F)c1 ZINC000594610794 1038382287 /nfs/dbraw/zinc/38/22/87/1038382287.db2.gz CQTCTYZGJTWSEZ-MRXNPFEDSA-N 1 1 338.373 4.111 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(C(F)(F)F)c1 ZINC000594610794 1038382300 /nfs/dbraw/zinc/38/23/00/1038382300.db2.gz CQTCTYZGJTWSEZ-MRXNPFEDSA-N 1 1 338.373 4.111 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccn1-c1ccccc1 ZINC000594956348 1038537856 /nfs/dbraw/zinc/53/78/56/1038537856.db2.gz RSOZYSRTTBOYSZ-QGZVFWFLSA-N 1 1 342.446 4.278 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000424336758 1038811579 /nfs/dbraw/zinc/81/15/79/1038811579.db2.gz YOFIFHZATUQDKQ-MJEQTWJJSA-N 1 1 345.240 4.413 20 30 EIEDMO Cc1cc(CNc2ccc(Cl)cc2C#N)cc(N2CCCC2)[nH+]1 ZINC000555142723 1038890122 /nfs/dbraw/zinc/89/01/22/1038890122.db2.gz LJSONVKIRUCALJ-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000505036838 1038910189 /nfs/dbraw/zinc/91/01/89/1038910189.db2.gz ZYOBIAUWLAXFNB-SJORKVTESA-N 1 1 329.488 4.047 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000505035573 1038911882 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/nfs/dbraw/zinc/32/44/59/1040324459.db2.gz VYGGQIKHFXMSTB-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccc(F)c(F)c1 ZINC000479411020 1040333917 /nfs/dbraw/zinc/33/39/17/1040333917.db2.gz PPPFIDURIQXGGQ-IBGZPJMESA-N 1 1 347.361 4.109 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000425363898 1040334821 /nfs/dbraw/zinc/33/48/21/1040334821.db2.gz DGSULNHLYMCPOK-CQSZACIVSA-N 1 1 330.378 4.395 20 30 EIEDMO CCN(CC)c1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425364101 1040334989 /nfs/dbraw/zinc/33/49/89/1040334989.db2.gz FCSZQQPYYGJTHL-AWEZNQCLSA-N 1 1 328.485 4.054 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000425364634 1040336020 /nfs/dbraw/zinc/33/60/20/1040336020.db2.gz GTXLDYISOBIMPG-DYVFJYSZSA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000425364634 1040336041 /nfs/dbraw/zinc/33/60/41/1040336041.db2.gz GTXLDYISOBIMPG-DYVFJYSZSA-N 1 1 327.453 4.059 20 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1040996087 /nfs/dbraw/zinc/99/60/87/1040996087.db2.gz YNQGDITXYVLMQJ-MRXNPFEDSA-N 1 1 330.435 4.007 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048352 1041052559 /nfs/dbraw/zinc/05/25/59/1041052559.db2.gz VZSOUOJKPOLLHZ-MRXNPFEDSA-N 1 1 346.430 4.180 20 30 EIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000483967050 1041078455 /nfs/dbraw/zinc/07/84/55/1041078455.db2.gz PZFGLKZRCPQFDO-GOSISDBHSA-N 1 1 336.504 4.253 20 30 EIEDMO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000538205370 1041142405 /nfs/dbraw/zinc/14/24/05/1041142405.db2.gz UGBJQQPAQBNBLH-CQSZACIVSA-N 1 1 344.455 4.287 20 30 EIEDMO CC1(C)C[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000425548833 1041241170 /nfs/dbraw/zinc/24/11/70/1041241170.db2.gz XECUFYJPYFTKCG-INIZCTEOSA-N 1 1 339.464 4.031 20 30 EIEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000425548833 1041241188 /nfs/dbraw/zinc/24/11/88/1041241188.db2.gz XECUFYJPYFTKCG-INIZCTEOSA-N 1 1 339.464 4.031 20 30 EIEDMO CC[N@@H+](CCCSCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC000425555049 1041242050 /nfs/dbraw/zinc/24/20/50/1041242050.db2.gz YHRLYJYGHOQTDF-UHFFFAOYSA-N 1 1 330.419 4.217 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290153 1041357819 /nfs/dbraw/zinc/35/78/19/1041357819.db2.gz GLZLWVZAMUHRJU-CZUORRHYSA-N 1 1 327.378 4.084 20 30 EIEDMO C=CCC1(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CCC1 ZINC000480576869 1041405927 /nfs/dbraw/zinc/40/59/27/1041405927.db2.gz GZRYABYPDRDOQH-UHFFFAOYSA-N 1 1 332.532 4.093 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)ccc1F ZINC000516214763 1041467315 /nfs/dbraw/zinc/46/73/15/1041467315.db2.gz YYLYJIXIRUIUNF-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)ccc1F ZINC000516214763 1041467319 /nfs/dbraw/zinc/46/73/19/1041467319.db2.gz YYLYJIXIRUIUNF-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO Cc1ccsc1C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000480707985 1041482219 /nfs/dbraw/zinc/48/22/19/1041482219.db2.gz WCSVYYMKABSSSB-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1ccsc1C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000480707985 1041482223 /nfs/dbraw/zinc/48/22/23/1041482223.db2.gz WCSVYYMKABSSSB-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000540822180 1041690418 /nfs/dbraw/zinc/69/04/18/1041690418.db2.gz UIKIVAQRLRHAPD-INIZCTEOSA-N 1 1 348.450 4.087 20 30 EIEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437425134 1041798042 /nfs/dbraw/zinc/79/80/42/1041798042.db2.gz GHKKXXNTROPVDN-LBPRGKRZSA-N 1 1 334.341 4.492 20 30 EIEDMO N#Cc1ccc(C[N@H+](CC[C@@H]2CCOC2)Cc2cccc(F)c2)cc1 ZINC000437594194 1041846777 /nfs/dbraw/zinc/84/67/77/1041846777.db2.gz VVJRFTKGCQNVQX-LJQANCHMSA-N 1 1 338.426 4.126 20 30 EIEDMO CCN(Cc1cccc(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517124588 1041877095 /nfs/dbraw/zinc/87/70/95/1041877095.db2.gz MDINRBMOCMKHIF-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517124588 1041877097 /nfs/dbraw/zinc/87/70/97/1041877097.db2.gz MDINRBMOCMKHIF-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517124588 1041877098 /nfs/dbraw/zinc/87/70/98/1041877098.db2.gz MDINRBMOCMKHIF-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[N@@H+](Cc1ccco1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000506112350 1041889052 /nfs/dbraw/zinc/88/90/52/1041889052.db2.gz KGXHUYJJSFGCLA-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000541348532 1041899659 /nfs/dbraw/zinc/89/96/59/1041899659.db2.gz QIBVSGZNJZAJIH-RTBURBONSA-N 1 1 342.483 4.270 20 30 EIEDMO Cc1cccc(COc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)c1 ZINC000517264869 1041933811 /nfs/dbraw/zinc/93/38/11/1041933811.db2.gz APYRIMKCFPRTLM-UHFFFAOYSA-N 1 1 349.459 4.192 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700914 1042076486 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N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464860515 1042205801 /nfs/dbraw/zinc/20/58/01/1042205801.db2.gz RMHRBODBPASWRS-UNMCSNQZSA-N 1 1 332.447 4.226 20 30 EIEDMO CCC1(CC)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438502152 1042214406 /nfs/dbraw/zinc/21/44/06/1042214406.db2.gz BQZMJWNCHWERES-UHFFFAOYSA-N 1 1 337.467 4.250 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260622 1042218097 /nfs/dbraw/zinc/21/80/97/1042218097.db2.gz XWUGTPKYWXHSRQ-CQSZACIVSA-N 1 1 329.415 4.461 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000506264375 1042225612 /nfs/dbraw/zinc/22/56/12/1042225612.db2.gz OELFEKZYOLLIHR-QGZVFWFLSA-N 1 1 345.446 4.250 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000506264375 1042225624 /nfs/dbraw/zinc/22/56/24/1042225624.db2.gz OELFEKZYOLLIHR-QGZVFWFLSA-N 1 1 345.446 4.250 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000518020142 1042315366 /nfs/dbraw/zinc/31/53/66/1042315366.db2.gz RNGSOWBKTDHMSQ-JKSUJKDBSA-N 1 1 340.414 4.437 20 30 EIEDMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(C#N)c1 ZINC000271785831 1042378678 /nfs/dbraw/zinc/37/86/78/1042378678.db2.gz HAPDDZJUWBYSNI-MRXNPFEDSA-N 1 1 342.446 4.083 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(C#N)cc1 ZINC000386753919 1042416370 /nfs/dbraw/zinc/41/63/70/1042416370.db2.gz DYMZLJIWDROLFD-LBPRGKRZSA-N 1 1 340.224 4.043 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000439010340 1042458920 /nfs/dbraw/zinc/45/89/20/1042458920.db2.gz NFSMVIFGPASCBZ-HMXCVIKNSA-N 1 1 340.511 4.393 20 30 EIEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000491599089 1042478452 /nfs/dbraw/zinc/47/84/52/1042478452.db2.gz NUQNFYUETKKBGU-LBPRGKRZSA-N 1 1 344.256 4.129 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000491628117 1042483561 /nfs/dbraw/zinc/48/35/61/1042483561.db2.gz KRGUOPJDHTVMDE-QFIPXVFZSA-N 1 1 346.405 4.264 20 30 EIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)C(C)C)c1C#N ZINC000030150141 1042491985 /nfs/dbraw/zinc/49/19/85/1042491985.db2.gz RJLOAQZLXPSDEJ-OAHLLOKOSA-N 1 1 344.503 4.007 20 30 EIEDMO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000491857640 1042509399 /nfs/dbraw/zinc/50/93/99/1042509399.db2.gz ZNLLXYARVIOICX-UHFFFAOYSA-N 1 1 344.462 4.371 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc1OC ZINC000426375542 1042613294 /nfs/dbraw/zinc/61/32/94/1042613294.db2.gz DUUFKXXGZHSZEI-UHFFFAOYSA-N 1 1 336.435 4.373 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2Cl)C2CC2)cc1 ZINC000439458822 1042628888 /nfs/dbraw/zinc/62/88/88/1042628888.db2.gz UWTXBVVTPIZQBY-UHFFFAOYSA-N 1 1 326.827 4.385 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2Cl)C2CC2)cc1 ZINC000439458822 1042628892 /nfs/dbraw/zinc/62/88/92/1042628892.db2.gz UWTXBVVTPIZQBY-UHFFFAOYSA-N 1 1 326.827 4.385 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1)C(C)C ZINC000176575835 1042812374 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20 30 EIEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000427659545 1043147183 /nfs/dbraw/zinc/14/71/83/1043147183.db2.gz JZXNGCOHWHWONT-PZJWPPBQSA-N 1 1 342.527 4.221 20 30 EIEDMO N#Cc1c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cn2ccccc12 ZINC000507977371 1043214644 /nfs/dbraw/zinc/21/46/44/1043214644.db2.gz ALVCGUILYHVOIV-UHFFFAOYSA-N 1 1 348.425 4.027 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000187374860 1043344944 /nfs/dbraw/zinc/34/49/44/1043344944.db2.gz JQPIGXDTZRASCO-LJQANCHMSA-N 1 1 333.378 4.389 20 30 EIEDMO C[C@H]1CC([NH2+]CCc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012996 1043470954 /nfs/dbraw/zinc/47/09/54/1043470954.db2.gz GRTHPYSPQZSCGR-OALUTQOASA-N 1 1 347.506 4.132 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)n2)cc1 ZINC000730455805 1043528565 /nfs/dbraw/zinc/52/85/65/1043528565.db2.gz TXYPVMQUDULKJV-GOSISDBHSA-N 1 1 346.409 4.008 20 30 EIEDMO C=CCOc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000521180964 1043623927 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C[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574872 1043803729 /nfs/dbraw/zinc/80/37/29/1043803729.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574872 1043803732 /nfs/dbraw/zinc/80/37/32/1043803732.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 1 1 333.479 4.043 20 30 EIEDMO N#Cc1ccc(OCC[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731848128 1043834484 /nfs/dbraw/zinc/83/44/84/1043834484.db2.gz TULOQKVKDVKTKM-UHFFFAOYSA-N 1 1 336.435 4.087 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)ccc1C#N ZINC000442803619 1043848209 /nfs/dbraw/zinc/84/82/09/1043848209.db2.gz UVKFOQSCVYJYBY-UHFFFAOYSA-N 1 1 333.435 4.097 20 30 EIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831440 1043859926 /nfs/dbraw/zinc/85/99/26/1043859926.db2.gz ADTLVQUMCFIPRK-MGPUTAFESA-N 1 1 336.435 4.159 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732183588 1043883477 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338.455 4.256 20 30 EIEDMO CCC[NH+]1CCC(NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766109853 1044200056 /nfs/dbraw/zinc/20/00/56/1044200056.db2.gz PWQBJXZLWKXXMI-UHFFFAOYSA-N 1 1 339.508 4.251 20 30 EIEDMO CCCN1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766109853 1044200071 /nfs/dbraw/zinc/20/00/71/1044200071.db2.gz PWQBJXZLWKXXMI-UHFFFAOYSA-N 1 1 339.508 4.251 20 30 EIEDMO C=CC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1cccc(C#N)c1 ZINC000194356636 1044291418 /nfs/dbraw/zinc/29/14/18/1044291418.db2.gz ITXJODHAEGGBLK-UHFFFAOYSA-N 1 1 335.432 4.463 20 30 EIEDMO C=CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1cccc(C#N)c1 ZINC000194356636 1044291442 /nfs/dbraw/zinc/29/14/42/1044291442.db2.gz ITXJODHAEGGBLK-UHFFFAOYSA-N 1 1 335.432 4.463 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000347964880 1044345166 /nfs/dbraw/zinc/34/51/66/1044345166.db2.gz LRJBEAFXMSZXKB-UHFFFAOYSA-N 1 1 330.378 4.144 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000522196192 1044370202 /nfs/dbraw/zinc/37/02/02/1044370202.db2.gz BKLLSLODOGJQCG-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000522196192 1044370215 /nfs/dbraw/zinc/37/02/15/1044370215.db2.gz BKLLSLODOGJQCG-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000466402855 1044394787 /nfs/dbraw/zinc/39/47/87/1044394787.db2.gz AIRAXDBVKFQMMN-IEBWSBKVSA-N 1 1 335.536 4.027 20 30 EIEDMO Oc1ccccc1/C=N/[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903615 1044410854 /nfs/dbraw/zinc/41/08/54/1044410854.db2.gz MMWHHAUEPPCLEB-TVSCDJBNSA-N 1 1 348.368 4.104 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)c1 ZINC000761764551 1044475891 /nfs/dbraw/zinc/47/58/91/1044475891.db2.gz CNHGOHGAMBHZOB-QFIPXVFZSA-N 1 1 328.415 4.285 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)c1 ZINC000761764551 1044475900 /nfs/dbraw/zinc/47/59/00/1044475900.db2.gz CNHGOHGAMBHZOB-QFIPXVFZSA-N 1 1 328.415 4.285 20 30 EIEDMO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000914558315 1044482530 /nfs/dbraw/zinc/48/25/30/1044482530.db2.gz SSLYWGFGDWWMQD-HZRSJKMUSA-N 1 1 344.458 4.411 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1F ZINC000914573081 1044500750 /nfs/dbraw/zinc/50/07/50/1044500750.db2.gz WVULWKCIYDCESZ-OAHLLOKOSA-N 1 1 325.836 4.262 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1F ZINC000914573081 1044500767 /nfs/dbraw/zinc/50/07/67/1044500767.db2.gz WVULWKCIYDCESZ-OAHLLOKOSA-N 1 1 325.836 4.262 20 30 EIEDMO C#CC[N@@H+](Cc1nc2ccccc2nc1C)[C@H]1CCc2ccccc21 ZINC000734146142 1044504423 /nfs/dbraw/zinc/50/44/23/1044504423.db2.gz IHMXDIYDTMAWDX-QFIPXVFZSA-N 1 1 327.431 4.061 20 30 EIEDMO C#CC[N@H+](Cc1nc2ccccc2nc1C)[C@H]1CCc2ccccc21 ZINC000734146142 1044504433 /nfs/dbraw/zinc/50/44/33/1044504433.db2.gz IHMXDIYDTMAWDX-QFIPXVFZSA-N 1 1 327.431 4.061 20 30 EIEDMO CC[N@H+](Cc1cn(-c2ccncc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543397589 1044512996 /nfs/dbraw/zinc/51/29/96/1044512996.db2.gz WBIBCKCJDCZYOU-KRWDZBQOSA-N 1 1 345.450 4.031 20 30 EIEDMO CC[N@@H+](Cc1cn(-c2ccncc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543397589 1044513004 /nfs/dbraw/zinc/51/30/04/1044513004.db2.gz WBIBCKCJDCZYOU-KRWDZBQOSA-N 1 1 345.450 4.031 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000914576312 1044521250 /nfs/dbraw/zinc/52/12/50/1044521250.db2.gz DBHUBNQWQUVSOH-SFHVURJKSA-N 1 1 346.268 4.171 20 30 EIEDMO C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000734297684 1044524689 /nfs/dbraw/zinc/52/46/89/1044524689.db2.gz SMJYLSFYCLBTJM-OAHLLOKOSA-N 1 1 333.439 4.015 20 30 EIEDMO C=CCSCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543429630 1044593087 /nfs/dbraw/zinc/59/30/87/1044593087.db2.gz SPTAYIOSOVAJEB-GOSISDBHSA-N 1 1 346.452 4.348 20 30 EIEDMO Fc1ccc(CC[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000676083432 1044644821 /nfs/dbraw/zinc/64/48/21/1044644821.db2.gz XTDPHNKPTUBUQC-NXEZZACHSA-N 1 1 347.249 4.180 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC(C)C)CC(C)(C)C)c1=S ZINC000761835587 1044746679 /nfs/dbraw/zinc/74/66/79/1044746679.db2.gz JDEIDJYPVPMCIE-UHFFFAOYSA-N 1 1 336.549 4.439 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC(C)C)CC(C)(C)C)c1=S ZINC000761835587 1044746693 /nfs/dbraw/zinc/74/66/93/1044746693.db2.gz JDEIDJYPVPMCIE-UHFFFAOYSA-N 1 1 336.549 4.439 20 30 EIEDMO CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735307887 1044783219 /nfs/dbraw/zinc/78/32/19/1044783219.db2.gz ASKMYVCFUZHJIH-UHFFFAOYSA-N 1 1 328.843 4.307 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000735310039 1044796465 /nfs/dbraw/zinc/79/64/65/1044796465.db2.gz YSAKCPIPTWSOGO-UHFFFAOYSA-N 1 1 330.790 4.160 20 30 EIEDMO N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000474220397 1044803315 /nfs/dbraw/zinc/80/33/15/1044803315.db2.gz VDZZQLDFDDYJNI-LJQANCHMSA-N 1 1 347.418 4.305 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000474244369 1044820201 /nfs/dbraw/zinc/82/02/01/1044820201.db2.gz HQQOSFBSVDCBKL-JAXLGGSGSA-N 1 1 340.511 4.102 20 30 EIEDMO CC(C)n1ncc2cc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cnc21 ZINC000155014856 1044857131 /nfs/dbraw/zinc/85/71/31/1044857131.db2.gz RITZUYUUVNHDAE-UHFFFAOYSA-N 1 1 347.466 4.294 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673801 1044858185 /nfs/dbraw/zinc/85/81/85/1044858185.db2.gz HBPOIQSYBYINES-UZLBHIALSA-N 1 1 338.476 4.268 20 30 EIEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000895711936 1044858279 /nfs/dbraw/zinc/85/82/79/1044858279.db2.gz ZWLVHEDVHNWESV-PMACEKPBSA-N 1 1 347.462 4.153 20 30 EIEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000895711936 1044858281 /nfs/dbraw/zinc/85/82/81/1044858281.db2.gz ZWLVHEDVHNWESV-PMACEKPBSA-N 1 1 347.462 4.153 20 30 EIEDMO CC(C)C[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168033451 1044895540 /nfs/dbraw/zinc/89/55/40/1044895540.db2.gz KSQIJTCZKVRZGM-YHELAOLJSA-N 1 1 327.516 4.346 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000428952453 1044896468 /nfs/dbraw/zinc/89/64/68/1044896468.db2.gz CQOJLGRYLWZVDV-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000428952453 1044896474 /nfs/dbraw/zinc/89/64/74/1044896474.db2.gz CQOJLGRYLWZVDV-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000429295947 1044913552 /nfs/dbraw/zinc/91/35/52/1044913552.db2.gz BUJMOGRCHTYOID-MLGOLLRUSA-N 1 1 346.272 4.106 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC000156105762 1045004948 /nfs/dbraw/zinc/00/49/48/1045004948.db2.gz ULMWWDLROJLWLN-HNNXBMFYSA-N 1 1 325.481 4.464 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S ZINC000915210205 1045188589 /nfs/dbraw/zinc/18/85/89/1045188589.db2.gz XUNOGGPKFKVRTM-XIRDDKMYSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S ZINC000915210205 1045188595 /nfs/dbraw/zinc/18/85/95/1045188595.db2.gz XUNOGGPKFKVRTM-XIRDDKMYSA-N 1 1 346.544 4.336 20 30 EIEDMO C#CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000740876141 1045236645 /nfs/dbraw/zinc/23/66/45/1045236645.db2.gz MYBVFQGLBBSYMW-UHFFFAOYSA-N 1 1 343.858 4.200 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000740888614 1045239764 /nfs/dbraw/zinc/23/97/64/1045239764.db2.gz RYVWGKCBTUSZKU-MOPGFXCFSA-N 1 1 330.472 4.005 20 30 EIEDMO N#CC1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000282438729 1045241815 /nfs/dbraw/zinc/24/18/15/1045241815.db2.gz UIGVJSXXDQESJD-DWIFJIFGSA-N 1 1 337.511 4.102 20 30 EIEDMO C[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192991 1045260456 /nfs/dbraw/zinc/26/04/56/1045260456.db2.gz YCTQCRAUKIJOBM-DYESRHJHSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192991 1045260463 /nfs/dbraw/zinc/26/04/63/1045260463.db2.gz YCTQCRAUKIJOBM-DYESRHJHSA-N 1 1 333.479 4.262 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000611265350 1045268158 /nfs/dbraw/zinc/26/81/58/1045268158.db2.gz AEGTYDOGAZIQRY-OAQYLSRUSA-N 1 1 336.435 4.412 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000611268799 1045271207 /nfs/dbraw/zinc/27/12/07/1045271207.db2.gz CWSGXGNLLONZLJ-UHFFFAOYSA-N 1 1 340.471 4.237 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000611268799 1045271213 /nfs/dbraw/zinc/27/12/13/1045271213.db2.gz CWSGXGNLLONZLJ-UHFFFAOYSA-N 1 1 340.471 4.237 20 30 EIEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCSC1 ZINC000130598393 1045280551 /nfs/dbraw/zinc/28/05/51/1045280551.db2.gz NYDCPPKOUIDMNC-LJQANCHMSA-N 1 1 338.476 4.075 20 30 EIEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000611372482 1045290132 /nfs/dbraw/zinc/29/01/32/1045290132.db2.gz VCRBEZSBHJEAMZ-MRXNPFEDSA-N 1 1 349.453 4.113 20 30 EIEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000611372481 1045290799 /nfs/dbraw/zinc/29/07/99/1045290799.db2.gz VCRBEZSBHJEAMZ-INIZCTEOSA-N 1 1 349.453 4.113 20 30 EIEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(Br)ncc1F)c1ccccc1 ZINC000762777235 1045349825 /nfs/dbraw/zinc/34/98/25/1045349825.db2.gz WBFWWDNYJQWRHF-MLGOLLRUSA-N 1 1 347.231 4.398 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000495797398 1045415035 /nfs/dbraw/zinc/41/50/35/1045415035.db2.gz DHIISBSDWSIARG-SJORKVTESA-N 1 1 349.519 4.038 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000533524081 1045536020 /nfs/dbraw/zinc/53/60/20/1045536020.db2.gz AMAWIOSGXAESCM-FQEVSTJZSA-N 1 1 330.435 4.172 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000533524081 1045536044 /nfs/dbraw/zinc/53/60/44/1045536044.db2.gz AMAWIOSGXAESCM-FQEVSTJZSA-N 1 1 330.435 4.172 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)cc1 ZINC000767730528 1045619556 /nfs/dbraw/zinc/61/95/56/1045619556.db2.gz PYPWYSWCLKGGPP-DAXSKMNVSA-N 1 1 342.320 4.494 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000066532290 1045727342 /nfs/dbraw/zinc/72/73/42/1045727342.db2.gz WJKWXUCTUDGOPF-XHSDSOJGSA-N 1 1 345.512 4.282 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000066532290 1045727353 /nfs/dbraw/zinc/72/73/53/1045727353.db2.gz WJKWXUCTUDGOPF-XHSDSOJGSA-N 1 1 345.512 4.282 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000768153367 1045727648 /nfs/dbraw/zinc/72/76/48/1045727648.db2.gz FECDJHZJZRWOJW-UHFFFAOYSA-N 1 1 349.272 4.097 20 30 EIEDMO CC(C)C[N@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000768153367 1045727635 /nfs/dbraw/zinc/72/76/35/1045727635.db2.gz FECDJHZJZRWOJW-UHFFFAOYSA-N 1 1 349.272 4.097 20 30 EIEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206809 1045744483 /nfs/dbraw/zinc/74/44/83/1045744483.db2.gz IHRBWCRWKQARTC-OAHLLOKOSA-N 1 1 325.481 4.217 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000763242893 1045790363 /nfs/dbraw/zinc/79/03/63/1045790363.db2.gz XVMOEGYETKAXIJ-BVYCBKJFSA-N 1 1 334.463 4.107 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000768512891 1045813094 /nfs/dbraw/zinc/81/30/94/1045813094.db2.gz KQVLDXYEHZFHIN-HNNXBMFYSA-N 1 1 325.431 4.346 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769107368 1045880435 /nfs/dbraw/zinc/88/04/35/1045880435.db2.gz SGEMLQDENOIBBY-OAQYLSRUSA-N 1 1 335.451 4.079 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307152 1045899462 /nfs/dbraw/zinc/89/94/62/1045899462.db2.gz NCKFBRYXQOQQQA-INIZCTEOSA-N 1 1 349.434 4.016 20 30 EIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496350397 1045912344 /nfs/dbraw/zinc/91/23/44/1045912344.db2.gz WIZUBKGQVPBMKQ-IRXDYDNUSA-N 1 1 349.519 4.086 20 30 EIEDMO C=C(C)C[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204671 1045927749 /nfs/dbraw/zinc/92/77/49/1045927749.db2.gz FBWBVPDVSDIJNG-ICSRJNTNSA-N 1 1 333.520 4.437 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000769405382 1045952626 /nfs/dbraw/zinc/95/26/26/1045952626.db2.gz USWDLHAUKXEUEG-MRXNPFEDSA-N 1 1 338.426 4.324 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446737 1045973900 /nfs/dbraw/zinc/97/39/00/1045973900.db2.gz TUGHWOFQPJZQBM-NQIIRXRSSA-N 1 1 333.479 4.414 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000769465333 1045983726 /nfs/dbraw/zinc/98/37/26/1045983726.db2.gz FYIKUZCFORBJJR-FCEWJHQRSA-N 1 1 338.426 4.495 20 30 EIEDMO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000769471194 1045987935 /nfs/dbraw/zinc/98/79/35/1045987935.db2.gz QMFPDIBJKGUNLJ-HNNXBMFYSA-N 1 1 328.481 4.219 20 30 EIEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000769471194 1045987951 /nfs/dbraw/zinc/98/79/51/1045987951.db2.gz QMFPDIBJKGUNLJ-HNNXBMFYSA-N 1 1 328.481 4.219 20 30 EIEDMO CCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769471552 1045988725 /nfs/dbraw/zinc/98/87/25/1045988725.db2.gz VRMKIHLZXJHNJO-XLNTUCKNSA-N 1 1 342.483 4.003 20 30 EIEDMO N#Cc1cc(C#N)cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170332275 1046004207 /nfs/dbraw/zinc/00/42/07/1046004207.db2.gz CFMTZDOZCPTRNI-DKUWSORSSA-N 1 1 342.446 4.037 20 30 EIEDMO CC(C)CC(N)=[NH+]OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000067711916 1046012217 /nfs/dbraw/zinc/01/22/17/1046012217.db2.gz IIGNHIMXZDMGMK-UHFFFAOYSA-N 1 1 333.476 4.207 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769549761 1046014886 /nfs/dbraw/zinc/01/48/86/1046014886.db2.gz VNHZLBWWYKJTSW-YJBOKZPZSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000769549761 1046014903 /nfs/dbraw/zinc/01/49/03/1046014903.db2.gz VNHZLBWWYKJTSW-YJBOKZPZSA-N 1 1 326.827 4.317 20 30 EIEDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000769548690 1046017269 /nfs/dbraw/zinc/01/72/69/1046017269.db2.gz JMQYVMMPAONVCD-QUCCMNQESA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000769548690 1046017277 /nfs/dbraw/zinc/01/72/77/1046017277.db2.gz JMQYVMMPAONVCD-QUCCMNQESA-N 1 1 337.442 4.163 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOc3ccccc3C2)CC1 ZINC001170386324 1046025201 /nfs/dbraw/zinc/02/52/01/1046025201.db2.gz DRGDGWMUUUSIOQ-UHFFFAOYSA-N 1 1 332.447 4.285 20 30 EIEDMO C[N@@H+](Cc1cccc2c1OCO2)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397511 1046031763 /nfs/dbraw/zinc/03/17/63/1046031763.db2.gz DOAUCHOUCOXQIU-UHFFFAOYSA-N 1 1 348.446 4.251 20 30 EIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405596 1046134332 /nfs/dbraw/zinc/13/43/32/1046134332.db2.gz DNUUKPJGSHGJMR-HSZRJFAPSA-N 1 1 342.442 4.391 20 30 EIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763413396 1046147736 /nfs/dbraw/zinc/14/77/36/1046147736.db2.gz KVEPJIPOHBVNEN-UIAACRFSSA-N 1 1 338.451 4.220 20 30 EIEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770302824 1046176888 /nfs/dbraw/zinc/17/68/88/1046176888.db2.gz CSLGGRWKZWYICW-FXAWDEMLSA-N 1 1 349.478 4.208 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000770326385 1046180792 /nfs/dbraw/zinc/18/07/92/1046180792.db2.gz OYLCSWGZQFTMGO-ZIAGYGMSSA-N 1 1 342.389 4.375 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000770326385 1046180781 /nfs/dbraw/zinc/18/07/81/1046180781.db2.gz OYLCSWGZQFTMGO-ZIAGYGMSSA-N 1 1 342.389 4.375 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000794399960 1046409464 /nfs/dbraw/zinc/40/94/64/1046409464.db2.gz SQSZGDKENIFWIX-VQIMIIECSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000794399960 1046409476 /nfs/dbraw/zinc/40/94/76/1046409476.db2.gz SQSZGDKENIFWIX-VQIMIIECSA-N 1 1 342.414 4.159 20 30 EIEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccc(C)cc1 ZINC000533884098 1046588393 /nfs/dbraw/zinc/58/83/93/1046588393.db2.gz HJUXFMWGAHACJB-QGZVFWFLSA-N 1 1 342.512 4.016 20 30 EIEDMO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459393548 1046611059 /nfs/dbraw/zinc/61/10/59/1046611059.db2.gz YOAUPQWZFAKDFW-LJQANCHMSA-N 1 1 335.407 4.270 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000459396781 1046615936 /nfs/dbraw/zinc/61/59/36/1046615936.db2.gz WKPMQRPOCASGQC-UHFFFAOYSA-N 1 1 335.407 4.416 20 30 EIEDMO C#CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc21 ZINC000772598351 1046682302 /nfs/dbraw/zinc/68/23/02/1046682302.db2.gz LBBAZLJPXLQFLA-QHCPKHFHSA-N 1 1 344.458 4.492 20 30 EIEDMO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCc2ccccc21 ZINC000772600170 1046682516 /nfs/dbraw/zinc/68/25/16/1046682516.db2.gz WFJIMZRETCMWGC-FQEVSTJZSA-N 1 1 345.471 4.328 20 30 EIEDMO C#CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCc2ccccc21 ZINC000772600170 1046682497 /nfs/dbraw/zinc/68/24/97/1046682497.db2.gz WFJIMZRETCMWGC-FQEVSTJZSA-N 1 1 345.471 4.328 20 30 EIEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694922 1046691642 /nfs/dbraw/zinc/69/16/42/1046691642.db2.gz CWVOCFAQXFCKEB-HXUWFJFHSA-N 1 1 330.435 4.160 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCCC2)O1 ZINC000785538961 1046705934 /nfs/dbraw/zinc/70/59/34/1046705934.db2.gz NAXBJUZFERKEIU-UHFFFAOYSA-N 1 1 348.874 4.166 20 30 EIEDMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCCC2)O1 ZINC000785538961 1046705928 /nfs/dbraw/zinc/70/59/28/1046705928.db2.gz NAXBJUZFERKEIU-UHFFFAOYSA-N 1 1 348.874 4.166 20 30 EIEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000536745470 1046743247 /nfs/dbraw/zinc/74/32/47/1046743247.db2.gz WINBVHZGMIONAB-ARFHVFGLSA-N 1 1 345.512 4.140 20 30 EIEDMO CC[N@H+](CCC1CCN(Cc2cc(C#N)ccc2F)CC1)CC1CC1 ZINC000536736471 1046745587 /nfs/dbraw/zinc/74/55/87/1046745587.db2.gz NPUPCWCPSDHCTH-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CC[N@@H+](CCC1CCN(Cc2cc(C#N)ccc2F)CC1)CC1CC1 ZINC000536736471 1046745601 /nfs/dbraw/zinc/74/56/01/1046745601.db2.gz NPUPCWCPSDHCTH-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000497407391 1046794046 /nfs/dbraw/zinc/79/40/46/1046794046.db2.gz LUSLLLQVCHOVMO-GOSISDBHSA-N 1 1 341.480 4.277 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459745360 1046879195 /nfs/dbraw/zinc/87/91/95/1046879195.db2.gz SMBJBXYBALWQPY-CQSZACIVSA-N 1 1 345.512 4.140 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000026363479 1046882929 /nfs/dbraw/zinc/88/29/29/1046882929.db2.gz XCXNMQHNDWUOHQ-VXGBXAGGSA-N 1 1 345.830 4.099 20 30 EIEDMO CCc1cccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000497620107 1046897504 /nfs/dbraw/zinc/89/75/04/1046897504.db2.gz MMXXATRYZJAOGD-MRXNPFEDSA-N 1 1 335.451 4.142 20 30 EIEDMO CCc1cccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000497620107 1046897507 /nfs/dbraw/zinc/89/75/07/1046897507.db2.gz MMXXATRYZJAOGD-MRXNPFEDSA-N 1 1 335.451 4.142 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1nccn1-c1ccccc1 ZINC000805749548 1047001314 /nfs/dbraw/zinc/00/13/14/1047001314.db2.gz YONZNXTUUFIDAD-IRXDYDNUSA-N 1 1 346.434 4.186 20 30 EIEDMO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1C#N ZINC000746740789 1047153329 /nfs/dbraw/zinc/15/33/29/1047153329.db2.gz HVBONDJITBYOAY-UHFFFAOYSA-N 1 1 338.304 4.015 20 30 EIEDMO C[N@H+](CCCC#N)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000068831801 1047213540 /nfs/dbraw/zinc/21/35/40/1047213540.db2.gz RWTNRYKPUYDRQI-UHFFFAOYSA-N 1 1 328.435 4.164 20 30 EIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282075213 1047411691 /nfs/dbraw/zinc/41/16/91/1047411691.db2.gz TXWXIDYOCONCPA-HXUWFJFHSA-N 1 1 328.500 4.430 20 30 EIEDMO Cc1cccnc1N=NC1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000790188227 1047532982 /nfs/dbraw/zinc/53/29/82/1047532982.db2.gz WIWQDWDSNAZTGU-OALUTQOASA-N 1 1 334.467 4.090 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nccnc1C1CCC1 ZINC000807992057 1047567439 /nfs/dbraw/zinc/56/74/39/1047567439.db2.gz YYNQMSOVQRDZLM-MRXNPFEDSA-N 1 1 349.482 4.054 20 30 EIEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCSC1 ZINC000130617866 1047660810 /nfs/dbraw/zinc/66/08/10/1047660810.db2.gz AXBILDPMEWHLDV-LJQANCHMSA-N 1 1 338.476 4.075 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194747437 1047665606 /nfs/dbraw/zinc/66/56/06/1047665606.db2.gz BRVWRYJNYBDENA-QGZVFWFLSA-N 1 1 347.462 4.114 20 30 EIEDMO COc1ccc(C[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC000556534700 1047809128 /nfs/dbraw/zinc/80/91/28/1047809128.db2.gz UNPFHXQCACIOOA-JOCHJYFZSA-N 1 1 348.446 4.037 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC000556534700 1047809131 /nfs/dbraw/zinc/80/91/31/1047809131.db2.gz UNPFHXQCACIOOA-JOCHJYFZSA-N 1 1 348.446 4.037 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532480 1047811278 /nfs/dbraw/zinc/81/12/78/1047811278.db2.gz SXDAMWGIFXRRRT-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000814229385 1047899436 /nfs/dbraw/zinc/89/94/36/1047899436.db2.gz NCJKPPSVKLOLMM-FQEVSTJZSA-N 1 1 338.451 4.107 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(CSC(F)F)o3)CC2)c1 ZINC000747923857 1047904369 /nfs/dbraw/zinc/90/43/69/1047904369.db2.gz NWMRZHVMSROPAD-UHFFFAOYSA-N 1 1 334.391 4.386 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985357 1048028670 /nfs/dbraw/zinc/02/86/70/1048028670.db2.gz CUKMHOVAPNYXHI-SFHVURJKSA-N 1 1 349.409 4.222 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001143357868 1048115150 /nfs/dbraw/zinc/11/51/50/1048115150.db2.gz OVEAXUYVWXADCB-NSHDSACASA-N 1 1 332.753 4.364 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001143357868 1048115157 /nfs/dbraw/zinc/11/51/57/1048115157.db2.gz OVEAXUYVWXADCB-NSHDSACASA-N 1 1 332.753 4.364 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001143724538 1048174473 /nfs/dbraw/zinc/17/44/73/1048174473.db2.gz XWANHKYHQLWZMO-UHFFFAOYSA-N 1 1 344.886 4.383 20 30 EIEDMO CC[N@H+](CCc1ccc(OC)cc1)Cc1c(Cl)cccc1C#N ZINC001143732182 1048179819 /nfs/dbraw/zinc/17/98/19/1048179819.db2.gz MXRYCOSYFABUDJ-UHFFFAOYSA-N 1 1 328.843 4.285 20 30 EIEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1c(Cl)cccc1C#N ZINC001143732182 1048179826 /nfs/dbraw/zinc/17/98/26/1048179826.db2.gz MXRYCOSYFABUDJ-UHFFFAOYSA-N 1 1 328.843 4.285 20 30 EIEDMO Cc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c(Cl)c1 ZINC001170769315 1048207415 /nfs/dbraw/zinc/20/74/15/1048207415.db2.gz NYAUTRWAPLJFQN-UHFFFAOYSA-N 1 1 328.843 4.169 20 30 EIEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(Cl)c1 ZINC001170769315 1048207428 /nfs/dbraw/zinc/20/74/28/1048207428.db2.gz NYAUTRWAPLJFQN-UHFFFAOYSA-N 1 1 328.843 4.169 20 30 EIEDMO COc1ccc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)cc1Cl ZINC000814902138 1048225384 /nfs/dbraw/zinc/22/53/84/1048225384.db2.gz FYOXITRDYVCAES-UHFFFAOYSA-N 1 1 325.746 4.045 20 30 EIEDMO C[C@H]1C(N=Nc2nccnc2C2CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000814931694 1048243036 /nfs/dbraw/zinc/24/30/36/1048243036.db2.gz AVMABFJJCKETOT-INIZCTEOSA-N 1 1 349.482 4.197 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ccc(F)c(F)c2F)cc1 ZINC000814945507 1048259297 /nfs/dbraw/zinc/25/92/97/1048259297.db2.gz ZCQXHWDIYLUORC-UHFFFAOYSA-N 1 1 344.340 4.434 20 30 EIEDMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369971 1048294837 /nfs/dbraw/zinc/29/48/37/1048294837.db2.gz PBANUFPJFKXMSN-XIKOKIGWSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@H](c1cccc(Cl)c1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370162 1048295800 /nfs/dbraw/zinc/29/58/00/1048295800.db2.gz GEGACZAEIPXDAS-SJKOYZFVSA-N 1 1 332.806 4.077 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815020979 1048298665 /nfs/dbraw/zinc/29/86/65/1048298665.db2.gz IWECDZQWLFVCNV-LJQANCHMSA-N 1 1 337.419 4.163 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(F)cc2F)c1O ZINC000919940289 1048324655 /nfs/dbraw/zinc/32/46/55/1048324655.db2.gz UDYVXLPBIVFFCH-UHFFFAOYSA-N 1 1 347.405 4.430 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(F)cc2F)c1O ZINC000919940289 1048324676 /nfs/dbraw/zinc/32/46/76/1048324676.db2.gz UDYVXLPBIVFFCH-UHFFFAOYSA-N 1 1 347.405 4.430 20 30 EIEDMO C=C(C)CONC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000844487555 1048362714 /nfs/dbraw/zinc/36/27/14/1048362714.db2.gz HCLIYJNPZXDCDK-UHFFFAOYSA-N 1 1 331.460 4.080 20 30 EIEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144075286 1048407930 /nfs/dbraw/zinc/40/79/30/1048407930.db2.gz LMDRUWJEZFVINB-SFHVURJKSA-N 1 1 328.500 4.006 20 30 EIEDMO C#Cc1ccc(CNc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000809651497 1048453108 /nfs/dbraw/zinc/45/31/08/1048453108.db2.gz ZHIWYTIASNFSMC-UHFFFAOYSA-N 1 1 343.268 4.104 20 30 EIEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000809699035 1048463220 /nfs/dbraw/zinc/46/32/20/1048463220.db2.gz LXXFEXXSKQZSEA-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1=S ZINC000844758566 1048492950 /nfs/dbraw/zinc/49/29/50/1048492950.db2.gz VIWRTABLODYDBP-MRXNPFEDSA-N 1 1 335.423 4.047 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1=S ZINC000844758566 1048492962 /nfs/dbraw/zinc/49/29/62/1048492962.db2.gz VIWRTABLODYDBP-MRXNPFEDSA-N 1 1 335.423 4.047 20 30 EIEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000810137589 1048643386 /nfs/dbraw/zinc/64/33/86/1048643386.db2.gz UXOCJJCDWCTMMR-HNNXBMFYSA-N 1 1 349.459 4.445 20 30 EIEDMO Cc1[nH+]c(NCc2cnc3ccc(C#N)cn23)ccc1-c1ccccc1 ZINC000810164821 1048667319 /nfs/dbraw/zinc/66/73/19/1048667319.db2.gz HNSYFDQHAUTJIP-UHFFFAOYSA-N 1 1 339.402 4.189 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC001144567492 1048733728 /nfs/dbraw/zinc/73/37/28/1048733728.db2.gz NUSHNMCLEADKAD-NRFANRHFSA-N 1 1 346.474 4.278 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC001144567492 1048733746 /nfs/dbraw/zinc/73/37/46/1048733746.db2.gz NUSHNMCLEADKAD-NRFANRHFSA-N 1 1 346.474 4.278 20 30 EIEDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204186 1048768992 /nfs/dbraw/zinc/76/89/92/1048768992.db2.gz UJGHOHHQPLYYBD-ROUUACIJSA-N 1 1 336.479 4.451 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001171220534 1048851143 /nfs/dbraw/zinc/85/11/43/1048851143.db2.gz BJQCEHRZRHUOQD-GOSISDBHSA-N 1 1 333.479 4.221 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001171230806 1048870169 /nfs/dbraw/zinc/87/01/69/1048870169.db2.gz YGDJWTLABIORAB-YWZLYKJASA-N 1 1 340.467 4.495 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135244790 1049091641 /nfs/dbraw/zinc/09/16/41/1049091641.db2.gz JWBXSDBLRDKVNL-QGZVFWFLSA-N 1 1 334.463 4.486 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811474624 1049097140 /nfs/dbraw/zinc/09/71/40/1049097140.db2.gz ODNMVJRQQMRIEN-UHFFFAOYSA-N 1 1 336.178 4.063 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nc(C)sc2C)c1 ZINC000772982291 1049193064 /nfs/dbraw/zinc/19/30/64/1049193064.db2.gz BSNUCZLIRTZULE-MLGOLLRUSA-N 1 1 329.469 4.292 20 30 EIEDMO C=C(CC(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001136222051 1049314108 /nfs/dbraw/zinc/31/41/08/1049314108.db2.gz GBMHPXIGMQSFPK-KRWDZBQOSA-N 1 1 328.500 4.137 20 30 EIEDMO C=C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1 ZINC001136248586 1049355037 /nfs/dbraw/zinc/35/50/37/1049355037.db2.gz TYHCYAHZAGXOPS-NRFANRHFSA-N 1 1 336.479 4.113 20 30 EIEDMO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000609891573 1049382840 /nfs/dbraw/zinc/38/28/40/1049382840.db2.gz IIHKCUNIOVHZRQ-LBPRGKRZSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749783 1049517445 /nfs/dbraw/zinc/51/74/45/1049517445.db2.gz SGAGQWNWCMHWAT-RDTXWAMCSA-N 1 1 341.842 4.220 20 30 EIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749783 1049517459 /nfs/dbraw/zinc/51/74/59/1049517459.db2.gz SGAGQWNWCMHWAT-RDTXWAMCSA-N 1 1 341.842 4.220 20 30 EIEDMO C#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795320 1049590947 /nfs/dbraw/zinc/59/09/47/1049590947.db2.gz QZLWFCWZXCCUTQ-WTNAPCKOSA-N 1 1 336.454 4.143 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(Br)c1)c1ccc(F)cc1 ZINC000812795370 1049593885 /nfs/dbraw/zinc/59/38/85/1049593885.db2.gz TWMXYXKJLNOZSJ-MRXNPFEDSA-N 1 1 348.215 4.061 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853230 1049613164 /nfs/dbraw/zinc/61/31/64/1049613164.db2.gz DANIBDFGYIEYEC-OXJNMPFZSA-N 1 1 327.855 4.136 20 30 EIEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC(c2ccccc2)CC1 ZINC001171791149 1049804459 /nfs/dbraw/zinc/80/44/59/1049804459.db2.gz APMWSLFYMRYACC-HCPAQRILSA-N 1 1 348.490 4.497 20 30 EIEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c(OC2CCCC2)c1 ZINC000822976468 1049812682 /nfs/dbraw/zinc/81/26/82/1049812682.db2.gz FYMXVEVFJFJNFE-MRXNPFEDSA-N 1 1 340.427 4.060 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852752 1049813158 /nfs/dbraw/zinc/81/31/58/1049813158.db2.gz HABAZYOIHFXFEO-QGZVFWFLSA-N 1 1 349.519 4.324 20 30 EIEDMO N#CCCC[C@@H]([NH3+])c1nc(C2(c3ccc(F)cc3)CCCCC2)no1 ZINC000823185245 1049827305 /nfs/dbraw/zinc/82/73/05/1049827305.db2.gz QPBVEWMWAPDHJU-MRXNPFEDSA-N 1 1 342.418 4.153 20 30 EIEDMO CC1(C)C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCN1Cc1ccccc1 ZINC001171989150 1049832528 /nfs/dbraw/zinc/83/25/28/1049832528.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 1 1 337.511 4.196 20 30 EIEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)c1cccc2ccccc21 ZINC000823248446 1049835387 /nfs/dbraw/zinc/83/53/87/1049835387.db2.gz OWGRWJOTWHCMOW-QGZVFWFLSA-N 1 1 334.423 4.242 20 30 EIEDMO CC1(C)C[C@@H](NCc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977487 1049837083 /nfs/dbraw/zinc/83/70/83/1049837083.db2.gz BPYGJXRNLXTLAS-SFHVURJKSA-N 1 1 339.508 4.153 20 30 EIEDMO CC1(C)C[C@H]([NH+]2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC001171985974 1049840583 /nfs/dbraw/zinc/84/05/83/1049840583.db2.gz DUDFEKMNWMTQMO-LJQANCHMSA-N 1 1 325.500 4.055 20 30 EIEDMO CC1(C)C[C@H](N2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985974 1049840584 /nfs/dbraw/zinc/84/05/84/1049840584.db2.gz DUDFEKMNWMTQMO-LJQANCHMSA-N 1 1 325.500 4.055 20 30 EIEDMO CC1(C)C[C@H](N2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985974 1049840587 /nfs/dbraw/zinc/84/05/87/1049840587.db2.gz DUDFEKMNWMTQMO-LJQANCHMSA-N 1 1 325.500 4.055 20 30 EIEDMO CN(Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840914 /nfs/dbraw/zinc/84/09/14/1049840914.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840931 /nfs/dbraw/zinc/84/09/31/1049840931.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840932 /nfs/dbraw/zinc/84/09/32/1049840932.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO CC(C)C[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066681 1049851455 /nfs/dbraw/zinc/85/14/55/1049851455.db2.gz CNENVHDBYOIORT-CIAFKFPVSA-N 1 1 339.527 4.490 20 30 EIEDMO CCC(C#N)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067089 1049852103 /nfs/dbraw/zinc/85/21/03/1049852103.db2.gz FEPCLNUWQQPFMH-OWZKRDHZSA-N 1 1 325.500 4.244 20 30 EIEDMO C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCCCC1 ZINC001172068229 1049853504 /nfs/dbraw/zinc/85/35/04/1049853504.db2.gz JAWSSJTZQXILLN-KOUNCHBCSA-N 1 1 336.523 4.498 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000823616829 1049862958 /nfs/dbraw/zinc/86/29/58/1049862958.db2.gz CCJBUJOEXBWJLM-SGTLLEGYSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172309997 1049874776 /nfs/dbraw/zinc/87/47/76/1049874776.db2.gz ZFOAQLDOJNJPBH-FDDCHVKYSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172311694 1049875944 /nfs/dbraw/zinc/87/59/44/1049875944.db2.gz WAWXSOXQAJEOHK-MGPUTAFESA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172311694 1049875946 /nfs/dbraw/zinc/87/59/46/1049875946.db2.gz WAWXSOXQAJEOHK-MGPUTAFESA-N 1 1 340.854 4.216 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001172354184 1049893306 /nfs/dbraw/zinc/89/33/06/1049893306.db2.gz FORDEHLUUHYIQH-MRXNPFEDSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001172354184 1049893308 /nfs/dbraw/zinc/89/33/08/1049893308.db2.gz FORDEHLUUHYIQH-MRXNPFEDSA-N 1 1 335.492 4.015 20 30 EIEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H](CC)CC(C)C)CC2 ZINC001172397541 1049907263 /nfs/dbraw/zinc/90/72/63/1049907263.db2.gz AKKDRCGCIPIOSZ-SFHVURJKSA-N 1 1 345.531 4.179 20 30 EIEDMO C[C@H](CCCC#N)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488044 1049920797 /nfs/dbraw/zinc/92/07/97/1049920797.db2.gz PTZLINOIWFPCIX-CQSZACIVSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488044 1049920801 /nfs/dbraw/zinc/92/08/01/1049920801.db2.gz PTZLINOIWFPCIX-CQSZACIVSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001172493793 1049921483 /nfs/dbraw/zinc/92/14/83/1049921483.db2.gz CYGQRPFKGIIINZ-MJGOQNOKSA-N 1 1 347.453 4.306 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001172509116 1049925703 /nfs/dbraw/zinc/92/57/03/1049925703.db2.gz JUDUHFGKAVFUPI-OAHLLOKOSA-N 1 1 343.471 4.474 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172510925 1049927304 /nfs/dbraw/zinc/92/73/04/1049927304.db2.gz KEUSIZZNDHXGEP-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172510925 1049927311 /nfs/dbraw/zinc/92/73/11/1049927311.db2.gz KEUSIZZNDHXGEP-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560440 1049933760 /nfs/dbraw/zinc/93/37/60/1049933760.db2.gz IOVDNYZUAUNMDL-CLAROIROSA-N 1 1 341.495 4.149 20 30 EIEDMO CC1(C)CC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC(C)(C)O1 ZINC001172661322 1049960181 /nfs/dbraw/zinc/96/01/81/1049960181.db2.gz SHGBOJVHQWOYQN-IBGZPJMESA-N 1 1 342.483 4.138 20 30 EIEDMO N#Cc1ccc(Br)c(CNc2cccc3cc[nH+]cc32)c1 ZINC000617188362 1049965265 /nfs/dbraw/zinc/96/52/65/1049965265.db2.gz FSAYWYSPLFUINM-UHFFFAOYSA-N 1 1 338.208 4.481 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000618304442 1050335678 /nfs/dbraw/zinc/33/56/78/1050335678.db2.gz AJYHDKCLDQHIHK-MRXNPFEDSA-N 1 1 342.405 4.132 20 30 EIEDMO N#Cc1ccc(F)cc1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001186639439 1050380669 /nfs/dbraw/zinc/38/06/69/1050380669.db2.gz FISPYNMBBUGMSJ-GOSISDBHSA-N 1 1 337.442 4.412 20 30 EIEDMO Fc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618449044 1050387155 /nfs/dbraw/zinc/38/71/55/1050387155.db2.gz DYNNSYRAARNKSH-PHIMTYICSA-N 1 1 329.259 4.388 20 30 EIEDMO Fc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618449044 1050387163 /nfs/dbraw/zinc/38/71/63/1050387163.db2.gz DYNNSYRAARNKSH-PHIMTYICSA-N 1 1 329.259 4.388 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](CCCC)CC(C)C ZINC001173262832 1050387390 /nfs/dbraw/zinc/38/73/90/1050387390.db2.gz UREJCHTYJPLNOO-MJGOQNOKSA-N 1 1 348.535 4.005 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC001173322637 1050415865 /nfs/dbraw/zinc/41/58/65/1050415865.db2.gz HMCKGVXMPLEWCE-MWXLCCTBSA-N 1 1 343.511 4.464 20 30 EIEDMO C=CCOC1CCC([N@@H+](Cc2cc(C)no2)Cc2ccccc2)CC1 ZINC001173326804 1050417145 /nfs/dbraw/zinc/41/71/45/1050417145.db2.gz ROTDPTPOBWXJBO-UHFFFAOYSA-N 1 1 340.467 4.499 20 30 EIEDMO C=CCOC1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001173326589 1050418201 /nfs/dbraw/zinc/41/82/01/1050418201.db2.gz LQDNBRPBVVFLKT-OQSMONGASA-N 1 1 349.478 4.030 20 30 EIEDMO N#CCC1CCC([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173333284 1050423235 /nfs/dbraw/zinc/42/32/35/1050423235.db2.gz MYPYTNRQVLXGCT-PLAFWNHUSA-N 1 1 338.495 4.498 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001173338798 1050427722 /nfs/dbraw/zinc/42/77/22/1050427722.db2.gz AHEZSMUYZBNRBG-DQVLVPHSSA-N 1 1 325.500 4.055 20 30 EIEDMO CC(C)[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341003 1050429801 /nfs/dbraw/zinc/42/98/01/1050429801.db2.gz PNWJEJSEWLVIOH-ABHNRTSZSA-N 1 1 349.519 4.179 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173340686 1050430106 /nfs/dbraw/zinc/43/01/06/1050430106.db2.gz JPPUVULWBCOUCL-PPSBMQLTSA-N 1 1 326.440 4.083 20 30 EIEDMO COc1cccc([C@@H]2CSCC[N@H+]2C2CCC(CC#N)CC2)c1 ZINC001173341373 1050430386 /nfs/dbraw/zinc/43/03/86/1050430386.db2.gz UVXKQIQXMJYNEU-KVWWFHCMSA-N 1 1 330.497 4.258 20 30 EIEDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341521 1050430662 /nfs/dbraw/zinc/43/06/62/1050430662.db2.gz YMUFBPUVIIHCPG-LXPRWKDFSA-N 1 1 349.519 4.038 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC001173320470 1050441538 /nfs/dbraw/zinc/44/15/38/1050441538.db2.gz OOKJKIRTNGCSRR-UHFFFAOYSA-N 1 1 338.289 4.395 20 30 EIEDMO C=CCOC1CCC([NH2+][C@H](CCC)C(=O)OCc2ccccc2)CC1 ZINC001173318839 1050441603 /nfs/dbraw/zinc/44/16/03/1050441603.db2.gz OSMCAJDYJZAERG-SOAGJPPSSA-N 1 1 345.483 4.002 20 30 EIEDMO CC[N@@H+](CCCNc1ncc(Cl)c(C)c1C#N)C1CCCCC1 ZINC001186930704 1050442402 /nfs/dbraw/zinc/44/24/02/1050442402.db2.gz PDGKNGRGDULDSH-UHFFFAOYSA-N 1 1 334.895 4.372 20 30 EIEDMO CC[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598938 1050498747 /nfs/dbraw/zinc/49/87/47/1050498747.db2.gz WQDJAKOBMDEXRZ-KBWCOIMZSA-N 1 1 325.500 4.055 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173599091 1050499943 /nfs/dbraw/zinc/49/99/43/1050499943.db2.gz ZEEWDMVHUUCUJV-CTWPCTMYSA-N 1 1 332.875 4.360 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001173600910 1050501227 /nfs/dbraw/zinc/50/12/27/1050501227.db2.gz MGGHWIHNBXDVNT-UHFFFAOYSA-N 1 1 337.511 4.057 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)cc1Br ZINC000618742036 1050504497 /nfs/dbraw/zinc/50/44/97/1050504497.db2.gz POOFSTUSNZVTPJ-KRWDZBQOSA-N 1 1 345.215 4.237 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000155530316 1050551733 /nfs/dbraw/zinc/55/17/33/1050551733.db2.gz FCGZGCAKKWEMDF-IRLDBZIGSA-N 1 1 332.447 4.226 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3C(F)(F)F)sc2C1 ZINC001173842093 1050607801 /nfs/dbraw/zinc/60/78/01/1050607801.db2.gz ZFXXMHDYVNDMDY-UHFFFAOYSA-N 1 1 337.370 4.370 20 30 EIEDMO CC(C)Oc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001174108319 1050734547 /nfs/dbraw/zinc/73/45/47/1050734547.db2.gz AMDFEZHJQABNIJ-UHFFFAOYSA-N 1 1 327.453 4.138 20 30 EIEDMO Cc1cc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)ccc1C#N ZINC001179855025 1050799525 /nfs/dbraw/zinc/79/95/25/1050799525.db2.gz MHSAPDQXQBRQKH-QFIPXVFZSA-N 1 1 334.463 4.129 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000619620021 1050841234 /nfs/dbraw/zinc/84/12/34/1050841234.db2.gz NUHFXMNSBHUCFH-UHFFFAOYSA-N 1 1 340.389 4.238 20 30 EIEDMO COc1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)ccc1C#N ZINC000619674361 1050852054 /nfs/dbraw/zinc/85/20/54/1050852054.db2.gz OCUODWKNVJUURB-IBGZPJMESA-N 1 1 345.446 4.428 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097109 1050865736 /nfs/dbraw/zinc/86/57/36/1050865736.db2.gz BCCPCGWNTBDGGI-UXHICEINSA-N 1 1 342.483 4.127 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000619755253 1050884773 /nfs/dbraw/zinc/88/47/73/1050884773.db2.gz UUUIMKJJEUUVHA-FQEVSTJZSA-N 1 1 333.822 4.486 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCCC2 ZINC000619755216 1050884848 /nfs/dbraw/zinc/88/48/48/1050884848.db2.gz CUPLHIVREIOLRY-NSHDSACASA-N 1 1 331.872 4.398 20 30 EIEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000619791996 1050917122 /nfs/dbraw/zinc/91/71/22/1050917122.db2.gz NOOIKZHSGHROBS-GJZGRUSLSA-N 1 1 340.858 4.107 20 30 EIEDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC001180194483 1050928700 /nfs/dbraw/zinc/92/87/00/1050928700.db2.gz DZQCHPMEDSVANY-AWEZNQCLSA-N 1 1 343.421 4.486 20 30 EIEDMO Cc1cc(NCc2cccc(F)c2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC001180301207 1050945580 /nfs/dbraw/zinc/94/55/80/1050945580.db2.gz KVFTZDCQSWBHEN-OAHLLOKOSA-N 1 1 338.430 4.392 20 30 EIEDMO C#CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCc2ccccc21 ZINC001180295938 1050959742 /nfs/dbraw/zinc/95/97/42/1050959742.db2.gz COHGKBDTNMOOAN-SFHVURJKSA-N 1 1 329.802 4.307 20 30 EIEDMO C#CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCc2ccccc21 ZINC001180295938 1050959752 /nfs/dbraw/zinc/95/97/52/1050959752.db2.gz COHGKBDTNMOOAN-SFHVURJKSA-N 1 1 329.802 4.307 20 30 EIEDMO CCCC(N)=[NH+]OCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000183170227 1051007043 /nfs/dbraw/zinc/00/70/43/1051007043.db2.gz CHBNEQNGTNAYKL-UHFFFAOYSA-N 1 1 339.395 4.092 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763619725 1051139357 /nfs/dbraw/zinc/13/93/57/1051139357.db2.gz AZXICNCTWVGZRX-CYBMUJFWSA-N 1 1 332.806 4.402 20 30 EIEDMO CCCCCCC[C@H](C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001181120093 1051158442 /nfs/dbraw/zinc/15/84/42/1051158442.db2.gz GHFPOKIERQURNE-FUHWJXTLSA-N 1 1 332.488 4.366 20 30 EIEDMO C=CCOCC[N@@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC001174789907 1051173428 /nfs/dbraw/zinc/17/34/28/1051173428.db2.gz PXBFRGUHFJFIQV-UHFFFAOYSA-N 1 1 326.278 4.252 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000775401568 1051238342 /nfs/dbraw/zinc/23/83/42/1051238342.db2.gz VEACYLAKUQRYKZ-HNNXBMFYSA-N 1 1 325.362 4.286 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001190699867 1051246747 /nfs/dbraw/zinc/24/67/47/1051246747.db2.gz PGJFYDIMDWACRZ-UHFFFAOYSA-N 1 1 349.474 4.122 20 30 EIEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001190713223 1051252422 /nfs/dbraw/zinc/25/24/22/1051252422.db2.gz IJNTYPOZLMKRGN-QGZVFWFLSA-N 1 1 349.519 4.182 20 30 EIEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC001190855567 1051293034 /nfs/dbraw/zinc/29/30/34/1051293034.db2.gz TVDSZRIBJJSALL-HNNXBMFYSA-N 1 1 339.401 4.072 20 30 EIEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001175014004 1051297032 /nfs/dbraw/zinc/29/70/32/1051297032.db2.gz CAIPHQBDOXRBNC-LBXVMSDZSA-N 1 1 339.483 4.132 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC001175062560 1051314747 /nfs/dbraw/zinc/31/47/47/1051314747.db2.gz QZTZNNGMROVTMS-UHFFFAOYSA-N 1 1 349.865 4.419 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccc(Cl)cc1 ZINC001182151894 1051406077 /nfs/dbraw/zinc/40/60/77/1051406077.db2.gz GJXGZGSKIKUCFO-SFHVURJKSA-N 1 1 341.838 4.354 20 30 EIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245844 1051408630 /nfs/dbraw/zinc/40/86/30/1051408630.db2.gz VCRYLSBUUCRZBE-FZKQIMNGSA-N 1 1 339.370 4.189 20 30 EIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245844 1051408640 /nfs/dbraw/zinc/40/86/40/1051408640.db2.gz VCRYLSBUUCRZBE-FZKQIMNGSA-N 1 1 339.370 4.189 20 30 EIEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001191244895 1051408764 /nfs/dbraw/zinc/40/87/64/1051408764.db2.gz PCYAVFIRMDFZQG-UHFFFAOYSA-N 1 1 339.385 4.002 20 30 EIEDMO C#CC[N@H+](CC#CC)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001191244895 1051408768 /nfs/dbraw/zinc/40/87/68/1051408768.db2.gz PCYAVFIRMDFZQG-UHFFFAOYSA-N 1 1 339.385 4.002 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](COC)Cc1ccccc1 ZINC001191454128 1051457527 /nfs/dbraw/zinc/45/75/27/1051457527.db2.gz MLSFQTGNYXFOFZ-OAQYLSRUSA-N 1 1 341.882 4.271 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000183830941 1051480311 /nfs/dbraw/zinc/48/03/11/1051480311.db2.gz YNTHGBAMMSJKEN-GFCCVEGCSA-N 1 1 345.786 4.290 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001191626408 1051494025 /nfs/dbraw/zinc/49/40/25/1051494025.db2.gz IIWKUWHZDMMCHB-UNMCSNQZSA-N 1 1 332.447 4.338 20 30 EIEDMO O=[N+]([O-])c1cccc(C[N@H+](CC#Cc2ccccc2Cl)C2CC2)c1 ZINC001191682303 1051509003 /nfs/dbraw/zinc/50/90/03/1051509003.db2.gz OTRQCIKNWHLTTO-UHFFFAOYSA-N 1 1 340.810 4.264 20 30 EIEDMO O=[N+]([O-])c1cccc(C[N@@H+](CC#Cc2ccccc2Cl)C2CC2)c1 ZINC001191682303 1051509015 /nfs/dbraw/zinc/50/90/15/1051509015.db2.gz OTRQCIKNWHLTTO-UHFFFAOYSA-N 1 1 340.810 4.264 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001191664374 1051512764 /nfs/dbraw/zinc/51/27/64/1051512764.db2.gz SLCMCIMBOSQJTO-QGZVFWFLSA-N 1 1 349.865 4.447 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001191664374 1051512771 /nfs/dbraw/zinc/51/27/71/1051512771.db2.gz SLCMCIMBOSQJTO-QGZVFWFLSA-N 1 1 349.865 4.447 20 30 EIEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001191881647 1051575397 /nfs/dbraw/zinc/57/53/97/1051575397.db2.gz KRQCOBJHWZKYRJ-INIZCTEOSA-N 1 1 329.419 4.411 20 30 EIEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001191881648 1051576174 /nfs/dbraw/zinc/57/61/74/1051576174.db2.gz KRQCOBJHWZKYRJ-MRXNPFEDSA-N 1 1 329.419 4.411 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CCC(C)C)c1C#N ZINC001191920793 1051583955 /nfs/dbraw/zinc/58/39/55/1051583955.db2.gz PGUQXCTYBZQQMQ-KRWDZBQOSA-N 1 1 328.456 4.136 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000157272638 1051622370 /nfs/dbraw/zinc/62/23/70/1051622370.db2.gz MZMMITQKKGANQF-UHFFFAOYSA-N 1 1 343.298 4.132 20 30 EIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001182532567 1051632998 /nfs/dbraw/zinc/63/29/98/1051632998.db2.gz FWAYMGUPNWTFCQ-PKOBYXMFSA-N 1 1 325.500 4.272 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CCC2CCCCC2)cc1 ZINC001192234452 1051674346 /nfs/dbraw/zinc/67/43/46/1051674346.db2.gz QDCZEZPKXZGGHM-FQEVSTJZSA-N 1 1 339.483 4.322 20 30 EIEDMO C=CCCCCCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001182800872 1051701225 /nfs/dbraw/zinc/70/12/25/1051701225.db2.gz VPOQEAZPBHIGOA-FQEVSTJZSA-N 1 1 328.500 4.314 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444583 1051733625 /nfs/dbraw/zinc/73/36/25/1051733625.db2.gz XKKXIQICXGWFCC-QGZVFWFLSA-N 1 1 340.854 4.482 20 30 EIEDMO C=C[C@@H](CC(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000158800714 1051789221 /nfs/dbraw/zinc/78/92/21/1051789221.db2.gz KTUZQGJLBATITI-FQEVSTJZSA-N 1 1 336.479 4.114 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC001192707749 1051803649 /nfs/dbraw/zinc/80/36/49/1051803649.db2.gz ABWKRHIYSCUYDB-NSHDSACASA-N 1 1 349.312 4.336 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC001183155947 1051805596 /nfs/dbraw/zinc/80/55/96/1051805596.db2.gz JVACPVYKLSKYGB-MRXNPFEDSA-N 1 1 341.838 4.047 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001192954131 1051836385 /nfs/dbraw/zinc/83/63/85/1051836385.db2.gz ZTPCLEKZPYCRCQ-SQNIBIBYSA-N 1 1 325.541 4.153 20 30 EIEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(F)c1Br ZINC001183430162 1051841596 /nfs/dbraw/zinc/84/15/96/1051841596.db2.gz VHLYSGFAPNGCTE-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(F)c1Br ZINC001183430162 1051841600 /nfs/dbraw/zinc/84/16/00/1051841600.db2.gz VHLYSGFAPNGCTE-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001193210570 1051887240 /nfs/dbraw/zinc/88/72/40/1051887240.db2.gz OIECMCVOJNRYAL-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210570 1051887244 /nfs/dbraw/zinc/88/72/44/1051887244.db2.gz OIECMCVOJNRYAL-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210570 1051887248 /nfs/dbraw/zinc/88/72/48/1051887248.db2.gz OIECMCVOJNRYAL-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001184045852 1051945100 /nfs/dbraw/zinc/94/51/00/1051945100.db2.gz RUPSXBYMRFKGDY-UHFFFAOYSA-N 1 1 344.817 4.436 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC001193920420 1052028519 /nfs/dbraw/zinc/02/85/19/1052028519.db2.gz MYTMAIMYDMCLFV-FQEVSTJZSA-N 1 1 328.500 4.090 20 30 EIEDMO C=C(C)C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001194052147 1052061023 /nfs/dbraw/zinc/06/10/23/1052061023.db2.gz QJCIPYJUYTYKKX-UHFFFAOYSA-N 1 1 344.499 4.322 20 30 EIEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001176554735 1052131509 /nfs/dbraw/zinc/13/15/09/1052131509.db2.gz GKEXSURTJPJALT-HNNXBMFYSA-N 1 1 342.911 4.288 20 30 EIEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001176665114 1052158333 /nfs/dbraw/zinc/15/83/33/1052158333.db2.gz SOPXYOQFBVMXII-SFHVURJKSA-N 1 1 341.436 4.125 20 30 EIEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000774825251 1052162423 /nfs/dbraw/zinc/16/24/23/1052162423.db2.gz SMIZMQBJLQDBRQ-AWEZNQCLSA-N 1 1 344.842 4.410 20 30 EIEDMO C#C[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176832766 1052196446 /nfs/dbraw/zinc/19/64/46/1052196446.db2.gz HYSKBGNRJLEAGM-HRVKUGKESA-N 1 1 346.515 4.042 20 30 EIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2cc(F)ccc2C#N)CC1 ZINC001185222052 1052198301 /nfs/dbraw/zinc/19/83/01/1052198301.db2.gz ORWWEIHBHIDNIV-UHFFFAOYSA-N 1 1 337.442 4.046 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1 ZINC000184780661 1052210698 /nfs/dbraw/zinc/21/06/98/1052210698.db2.gz HLUHEFPJZMJZCI-UHFFFAOYSA-N 1 1 345.446 4.063 20 30 EIEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)ccc1C#N ZINC000774908426 1052275329 /nfs/dbraw/zinc/27/53/29/1052275329.db2.gz HWJLMKZRZMZEHI-NRFANRHFSA-N 1 1 346.430 4.196 20 30 EIEDMO Cc1cnn(CCCCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000072898107 1052622149 /nfs/dbraw/zinc/62/21/49/1052622149.db2.gz GSFRGPPJWCYUEH-LEWJYISDSA-N 1 1 336.483 4.134 20 30 EIEDMO N#Cc1cccc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000272913974 1052786123 /nfs/dbraw/zinc/78/61/23/1052786123.db2.gz RXZNMFAWDNMTRH-LEWJYISDSA-N 1 1 347.462 4.176 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3nc(-c4ccncc4)cs3)cc2)CC1 ZINC000850135885 1053075757 /nfs/dbraw/zinc/07/57/57/1053075757.db2.gz LIFAMTSKACMMNZ-UHFFFAOYSA-N 1 1 346.459 4.050 20 30 EIEDMO CC(=[NH+]Nc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764639263 1053241152 /nfs/dbraw/zinc/24/11/52/1053241152.db2.gz FFDHMZYBMDNBFD-UHFFFAOYSA-N 1 1 329.831 4.013 20 30 EIEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155098 1053305613 /nfs/dbraw/zinc/30/56/13/1053305613.db2.gz LXDWJHGFYCYGRR-VAMGGRTRSA-N 1 1 326.484 4.089 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1cncc(C#N)c1 ZINC001195729137 1053463185 /nfs/dbraw/zinc/46/31/85/1053463185.db2.gz NOPKBOWBRRJHDP-QGZVFWFLSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1cncc(C#N)c1 ZINC001195729137 1053463186 /nfs/dbraw/zinc/46/31/86/1053463186.db2.gz NOPKBOWBRRJHDP-QGZVFWFLSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC001195851444 1053494412 /nfs/dbraw/zinc/49/44/12/1053494412.db2.gz JUJDMKUDNAZHTH-OAHLLOKOSA-N 1 1 326.465 4.179 20 30 EIEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000851845417 1053525280 /nfs/dbraw/zinc/52/52/80/1053525280.db2.gz LOHDUCMKWNEOJR-GOSISDBHSA-N 1 1 338.451 4.252 20 30 EIEDMO C=CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@@H](C)COC ZINC001196047815 1053572058 /nfs/dbraw/zinc/57/20/58/1053572058.db2.gz FLUCNTOUEMOIRO-ZKKXHLJNSA-N 1 1 338.289 4.375 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000386042718 1053572314 /nfs/dbraw/zinc/57/23/14/1053572314.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 1 1 339.527 4.160 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000386042718 1053572324 /nfs/dbraw/zinc/57/23/24/1053572324.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 1 1 339.527 4.160 20 30 EIEDMO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1O ZINC000852354961 1053572779 /nfs/dbraw/zinc/57/27/79/1053572779.db2.gz XXIQTTMFRMKBNQ-UHFFFAOYSA-N 1 1 342.826 4.145 20 30 EIEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083950 1053577271 /nfs/dbraw/zinc/57/72/71/1053577271.db2.gz XPTQPGAFYHQJFJ-OAQYLSRUSA-N 1 1 334.463 4.322 20 30 EIEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000921525907 1053582322 /nfs/dbraw/zinc/58/23/22/1053582322.db2.gz BCZBREIRTIQCAF-HNNXBMFYSA-N 1 1 331.213 4.081 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1OC(F)F ZINC000866220489 1053654664 /nfs/dbraw/zinc/65/46/64/1053654664.db2.gz HLSKHEOOPRMYKX-NEPJUHHUSA-N 1 1 332.350 4.277 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC001196442258 1053661063 /nfs/dbraw/zinc/66/10/63/1053661063.db2.gz QBMJNTFOSGRMTN-GFCCVEGCSA-N 1 1 327.255 4.220 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3Cl)CC2)nc1 ZINC001196418572 1053667374 /nfs/dbraw/zinc/66/73/74/1053667374.db2.gz DWFUTBDSYROVNQ-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000853525250 1053683512 /nfs/dbraw/zinc/68/35/12/1053683512.db2.gz UJTXVWALDNDIES-ZDUSSCGKSA-N 1 1 349.265 4.440 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000853525250 1053683517 /nfs/dbraw/zinc/68/35/17/1053683517.db2.gz UJTXVWALDNDIES-ZDUSSCGKSA-N 1 1 349.265 4.440 20 30 EIEDMO COC[C@H](C)[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646620 1053716487 /nfs/dbraw/zinc/71/64/87/1053716487.db2.gz MUGAEUTZXRKTNC-BTYIYWSLSA-N 1 1 338.426 4.222 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC001196829973 1053772525 /nfs/dbraw/zinc/77/25/25/1053772525.db2.gz IIJFRBXHOOYAMJ-BBRMVZONSA-N 1 1 326.362 4.098 20 30 EIEDMO CCOCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001196886901 1053789032 /nfs/dbraw/zinc/78/90/32/1053789032.db2.gz DCUOYUZBBCKXAW-JOCHJYFZSA-N 1 1 337.438 4.203 20 30 EIEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1csc(Cc2ccccc2)n1 ZINC001197104413 1053836943 /nfs/dbraw/zinc/83/69/43/1053836943.db2.gz DGZMLNIUIXDXGM-UHFFFAOYSA-N 1 1 347.487 4.280 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(Cc2ccccc2)n1 ZINC001197104413 1053836944 /nfs/dbraw/zinc/83/69/44/1053836944.db2.gz DGZMLNIUIXDXGM-UHFFFAOYSA-N 1 1 347.487 4.280 20 30 EIEDMO C[N@@H+](CCSc1ccc(F)cc1F)CCc1cccc(C#N)c1 ZINC001197114723 1053840199 /nfs/dbraw/zinc/84/01/99/1053840199.db2.gz HYWNJUVDHOQYAL-UHFFFAOYSA-N 1 1 332.419 4.103 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC001197177085 1053848567 /nfs/dbraw/zinc/84/85/67/1053848567.db2.gz KNSCKLHQLLCVFW-ZRBLBEILSA-N 1 1 346.474 4.351 20 30 EIEDMO C[N@@H+](Cc1ccccc1)C1CCC(N=Nc2ncccc2F)CC1 ZINC000794990757 1053870766 /nfs/dbraw/zinc/87/07/66/1053870766.db2.gz POTAIKIJRBKLIU-UHFFFAOYSA-N 1 1 326.419 4.063 20 30 EIEDMO C#CC[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC001197700975 1053975433 /nfs/dbraw/zinc/97/54/33/1053975433.db2.gz BMWITVSFPKOZNP-HNNXBMFYSA-N 1 1 325.374 4.210 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3sccc3Cl)CC2)cc1 ZINC000338540916 1053981766 /nfs/dbraw/zinc/98/17/66/1053981766.db2.gz QDMYCJWHLIDFJN-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C ZINC001197938345 1054031661 /nfs/dbraw/zinc/03/16/61/1054031661.db2.gz ZORVUJGUFFKILW-UHFFFAOYSA-N 1 1 346.780 4.031 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C ZINC001197938345 1054031677 /nfs/dbraw/zinc/03/16/77/1054031677.db2.gz ZORVUJGUFFKILW-UHFFFAOYSA-N 1 1 346.780 4.031 20 30 EIEDMO C[N@@H+](Cc1ccccc1CNC(=O)CC(C)(C)C#N)C1CCCCC1 ZINC000278868552 1054039194 /nfs/dbraw/zinc/03/91/94/1054039194.db2.gz VBVAFPOWHLLECK-UHFFFAOYSA-N 1 1 341.499 4.007 20 30 EIEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000339098123 1054061054 /nfs/dbraw/zinc/06/10/54/1054061054.db2.gz ZFISLDPAXHVDJQ-MRXNPFEDSA-N 1 1 326.362 4.163 20 30 EIEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001198458596 1054149374 /nfs/dbraw/zinc/14/93/74/1054149374.db2.gz WCGJADCEWLWWIK-UHFFFAOYSA-N 1 1 328.378 4.322 20 30 EIEDMO N#CC[C@@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000888574801 1054214569 /nfs/dbraw/zinc/21/45/69/1054214569.db2.gz QJMXUYSYELIQPW-SFHVURJKSA-N 1 1 348.450 4.098 20 30 EIEDMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C(C)C ZINC001199197089 1054362376 /nfs/dbraw/zinc/36/23/76/1054362376.db2.gz FJVZRYOKWCJXMN-HNNXBMFYSA-N 1 1 342.314 4.177 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(SC(C)(C)C)cn2)no1 ZINC000872177592 1054422049 /nfs/dbraw/zinc/42/20/49/1054422049.db2.gz CUZPFGDTWBCJBR-NSHDSACASA-N 1 1 338.864 4.165 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC000872180326 1054422123 /nfs/dbraw/zinc/42/21/23/1054422123.db2.gz OIIMOHLEOKBIIW-LBPRGKRZSA-N 1 1 344.217 4.330 20 30 EIEDMO C[N@@H+]1CC[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143457 1054422407 /nfs/dbraw/zinc/42/24/07/1054422407.db2.gz KNZGRWFTSDDRMU-KRWDZBQOSA-N 1 1 339.508 4.249 20 30 EIEDMO C[N@H+]1CC[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143457 1054422419 /nfs/dbraw/zinc/42/24/19/1054422419.db2.gz KNZGRWFTSDDRMU-KRWDZBQOSA-N 1 1 339.508 4.249 20 30 EIEDMO CN1CC[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143457 1054422426 /nfs/dbraw/zinc/42/24/26/1054422426.db2.gz KNZGRWFTSDDRMU-KRWDZBQOSA-N 1 1 339.508 4.249 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872259612 1054428100 /nfs/dbraw/zinc/42/81/00/1054428100.db2.gz DSGGWNWXILJTHU-HXUWFJFHSA-N 1 1 326.484 4.411 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137059092 1054440826 /nfs/dbraw/zinc/44/08/26/1054440826.db2.gz MECZYXGSNASAHQ-QGZVFWFLSA-N 1 1 349.409 4.222 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000858341975 1054469310 /nfs/dbraw/zinc/46/93/10/1054469310.db2.gz IQONPDDKKJWWBY-CQSZACIVSA-N 1 1 342.389 4.425 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282209456 1054612365 /nfs/dbraw/zinc/61/23/65/1054612365.db2.gz XULJOFJNIHRQOX-APWZRJJASA-N 1 1 334.467 4.032 20 30 EIEDMO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000776153945 1054746876 /nfs/dbraw/zinc/74/68/76/1054746876.db2.gz KZEQQKJCPLFHPM-UWJYYQICSA-N 1 1 343.515 4.140 20 30 EIEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@@H](C)CCC=C(C)C)CCC2 ZINC001201486026 1054815603 /nfs/dbraw/zinc/81/56/03/1054815603.db2.gz LQSDPXHSJMEWRF-SFHVURJKSA-N 1 1 331.504 4.174 20 30 EIEDMO CCCCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201762727 1054899384 /nfs/dbraw/zinc/89/93/84/1054899384.db2.gz RZXJSJHVYILEEK-IBGZPJMESA-N 1 1 348.531 4.305 20 30 EIEDMO CCCCCCC[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001201762727 1054899388 /nfs/dbraw/zinc/89/93/88/1054899388.db2.gz RZXJSJHVYILEEK-IBGZPJMESA-N 1 1 348.531 4.305 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201814226 1054911410 /nfs/dbraw/zinc/91/14/10/1054911410.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 1 1 335.561 4.400 20 30 EIEDMO CCCCCCCC[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001201804530 1054912014 /nfs/dbraw/zinc/91/20/14/1054912014.db2.gz NYTHOBZMCATBPH-PWRODBHTSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCC[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001201776910 1054918689 /nfs/dbraw/zinc/91/86/89/1054918689.db2.gz OVXCDGKRFFIQGB-QGZVFWFLSA-N 1 1 342.487 4.204 20 30 EIEDMO CCCCCCC[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001201776910 1054918702 /nfs/dbraw/zinc/91/87/02/1054918702.db2.gz OVXCDGKRFFIQGB-QGZVFWFLSA-N 1 1 342.487 4.204 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201840227 1054934467 /nfs/dbraw/zinc/93/44/67/1054934467.db2.gz XDTAKQVEDBLQSF-NRFANRHFSA-N 1 1 343.515 4.261 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCCC)c(OCC)c2)CC1 ZINC000106246356 1054938698 /nfs/dbraw/zinc/93/86/98/1054938698.db2.gz ZHXQEKFNYGOACJ-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO CCC[N@@H+](C[C@@H](C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876623128 1054940957 /nfs/dbraw/zinc/94/09/57/1054940957.db2.gz VRULHBXKAQHNPN-INIZCTEOSA-N 1 1 337.508 4.038 20 30 EIEDMO C=CCN1CC[C@]2(CCC[N@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201977661 1054955249 /nfs/dbraw/zinc/95/52/49/1054955249.db2.gz VRWDTBLMPTYFIB-CTNGQTDRSA-N 1 1 332.532 4.260 20 30 EIEDMO CC[N@H+](c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1)C(C)C ZINC000876820884 1054964594 /nfs/dbraw/zinc/96/45/94/1054964594.db2.gz UYLMDKIRAIHNEA-QGZVFWFLSA-N 1 1 329.488 4.432 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc(F)c(F)c1 ZINC001202066431 1055007291 /nfs/dbraw/zinc/00/72/91/1055007291.db2.gz YJLJORWOXWVZHJ-IBGZPJMESA-N 1 1 340.377 4.157 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001137119497 1055044058 /nfs/dbraw/zinc/04/40/58/1055044058.db2.gz RLNRDMTXVITCIR-IBGZPJMESA-N 1 1 328.362 4.204 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001137119497 1055044070 /nfs/dbraw/zinc/04/40/70/1055044070.db2.gz RLNRDMTXVITCIR-IBGZPJMESA-N 1 1 328.362 4.204 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccco1 ZINC000671759989 1055046342 /nfs/dbraw/zinc/04/63/42/1055046342.db2.gz GPHUBNFSFISVRT-SFHVURJKSA-N 1 1 325.456 4.380 20 30 EIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001137120273 1055059214 /nfs/dbraw/zinc/05/92/14/1055059214.db2.gz AAOSCUBEJADRAE-UHFFFAOYSA-N 1 1 335.451 4.319 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC001137120619 1055061502 /nfs/dbraw/zinc/06/15/02/1055061502.db2.gz XACJPBKXIHFXAJ-MRXNPFEDSA-N 1 1 326.827 4.232 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000877535811 1055074023 /nfs/dbraw/zinc/07/40/23/1055074023.db2.gz FOGJEQVJYGGOAK-BETUJISGSA-N 1 1 331.769 4.160 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000877557551 1055081301 /nfs/dbraw/zinc/08/13/01/1055081301.db2.gz NKENEACILVJBEP-MRXNPFEDSA-N 1 1 333.769 4.052 20 30 EIEDMO CCOP(=O)(CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OCC ZINC000877599415 1055088528 /nfs/dbraw/zinc/08/85/28/1055088528.db2.gz ZCDTXBGXAFXMPS-HNNXBMFYSA-N 1 1 338.388 4.207 20 30 EIEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000877813907 1055125854 /nfs/dbraw/zinc/12/58/54/1055125854.db2.gz LRGPHPNPWOXHKE-MRXNPFEDSA-N 1 1 325.481 4.242 20 30 EIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056077 1055180773 /nfs/dbraw/zinc/18/07/73/1055180773.db2.gz ADTAOKHHOKWASR-CSODHUTKSA-N 1 1 326.484 4.326 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106011 1055190495 /nfs/dbraw/zinc/19/04/95/1055190495.db2.gz JUCPCFWDSAOUFF-YADHBBJMSA-N 1 1 336.479 4.249 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccsc3)o2)cc1 ZINC000075626314 1055255169 /nfs/dbraw/zinc/25/51/69/1055255169.db2.gz CHPFQUJGWXUYCT-INIZCTEOSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccsc3)o2)cc1 ZINC000075626314 1055255185 /nfs/dbraw/zinc/25/51/85/1055255185.db2.gz CHPFQUJGWXUYCT-INIZCTEOSA-N 1 1 336.420 4.007 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000878514407 1055330273 /nfs/dbraw/zinc/33/02/73/1055330273.db2.gz SKQBBMAKPKTCJP-JOCHJYFZSA-N 1 1 334.463 4.176 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)C1CCCCC1)c1ccccc1 ZINC000878565410 1055344808 /nfs/dbraw/zinc/34/48/08/1055344808.db2.gz JXQKRUDDHBQGMN-DYESRHJHSA-N 1 1 326.484 4.328 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)C1CCCCC1)c1ccccc1 ZINC000878565411 1055345325 /nfs/dbraw/zinc/34/53/25/1055345325.db2.gz JXQKRUDDHBQGMN-UTKZUKDTSA-N 1 1 326.484 4.328 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1ncccc1Br)c1ccccc1 ZINC000878647921 1055365781 /nfs/dbraw/zinc/36/57/81/1055365781.db2.gz LDASKHUCCZUGMO-INIZCTEOSA-N 1 1 344.256 4.369 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)c(OC)c(OCC)c1)C1CC1 ZINC000542690548 1055830526 /nfs/dbraw/zinc/83/05/26/1055830526.db2.gz DTADJFYKQJYEEG-UHFFFAOYSA-N 1 1 340.261 4.007 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067758 1055837978 /nfs/dbraw/zinc/83/79/78/1055837978.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067758 1055837995 /nfs/dbraw/zinc/83/79/95/1055837995.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067758 1055837996 /nfs/dbraw/zinc/83/79/96/1055837996.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 1 1 333.479 4.140 20 30 EIEDMO CC[N@H+](Cc1nc(C)c2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000107896450 1055890775 /nfs/dbraw/zinc/89/07/75/1055890775.db2.gz VMEYDRSEPKAKLT-MRXNPFEDSA-N 1 1 330.435 4.393 20 30 EIEDMO CC[N@@H+](Cc1nc(C)c2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000107896450 1055890779 /nfs/dbraw/zinc/89/07/79/1055890779.db2.gz VMEYDRSEPKAKLT-MRXNPFEDSA-N 1 1 330.435 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C=CC[N@@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C(C)C ZINC000742539988 1058664364 /nfs/dbraw/zinc/66/43/64/1058664364.db2.gz WYKINXKRFONHKG-UHFFFAOYSA-N 1 1 339.270 4.414 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccncc21 ZINC000746056014 1060000007 /nfs/dbraw/zinc/00/00/07/1060000007.db2.gz OXWPSQNIBAGJSC-UHFFFAOYSA-N 1 1 345.446 4.470 20 30 EIEDMO Cc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC001169223768 1060699708 /nfs/dbraw/zinc/69/97/08/1060699708.db2.gz AFHNHCJPXHBCTP-UHFFFAOYSA-N 1 1 341.252 4.188 20 30 EIEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC001169223768 1060699711 /nfs/dbraw/zinc/69/97/11/1060699711.db2.gz AFHNHCJPXHBCTP-UHFFFAOYSA-N 1 1 341.252 4.188 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(Nc2cccn(CC3CC3)c2=O)cc1 ZINC001169454360 1060821876 /nfs/dbraw/zinc/82/18/76/1060821876.db2.gz HHHIYXGNAFFLID-OAQYLSRUSA-N 1 1 349.478 4.325 20 30 EIEDMO CC[C@@H](C[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483872 1060828293 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C=CC[N@H+](Cc1noc(-c2cncc(C)c2)n1)CC1CCCCC1 ZINC000450398651 1032464783 /nfs/dbraw/zinc/46/47/83/1032464783.db2.gz ADXLVUJYUGMGMP-UHFFFAOYSA-N 1 1 326.444 4.008 20 30 EIEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479928 1032523294 /nfs/dbraw/zinc/52/32/94/1032523294.db2.gz RTVJCQDKLXSACN-UYAOXDASSA-N 1 1 340.511 4.150 20 30 EIEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479926 1032523945 /nfs/dbraw/zinc/52/39/45/1032523945.db2.gz RTVJCQDKLXSACN-ICSRJNTNSA-N 1 1 340.511 4.150 20 30 EIEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCCC1 ZINC000450514295 1032538971 /nfs/dbraw/zinc/53/89/71/1032538971.db2.gz CUVWGHHKRXKSNE-ROUUACIJSA-N 1 1 332.532 4.282 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000180037842 1032583296 /nfs/dbraw/zinc/58/32/96/1032583296.db2.gz DELOAWCXDJCWNF-IBGZPJMESA-N 1 1 344.418 4.405 20 30 EIEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533369172 1032706082 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EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000339659835 1019776961 /nfs/dbraw/zinc/77/69/61/1019776961.db2.gz CBOAWEJEYHRLBC-SFHVURJKSA-N 1 1 348.425 4.020 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000339661001 1019786180 /nfs/dbraw/zinc/78/61/80/1019786180.db2.gz KYZZPUOGDQLPTI-IBGZPJMESA-N 1 1 348.425 4.020 20 30 EIEDMO N#Cc1ccc(CC[N@@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC001208926188 1019850597 /nfs/dbraw/zinc/85/05/97/1019850597.db2.gz CWCCEPYYDRSCFT-UHFFFAOYSA-N 1 1 327.431 4.198 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000157752617 1020092088 /nfs/dbraw/zinc/09/20/88/1020092088.db2.gz YWMAGNMBVGXDKP-UHFFFAOYSA-N 1 1 328.415 4.446 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC12CCOCC2 ZINC001167115530 1020213268 /nfs/dbraw/zinc/21/32/68/1020213268.db2.gz FMQVGJZYAWACKA-IBGZPJMESA-N 1 1 329.484 4.280 20 30 EIEDMO C=CCCCCCC[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209438404 1020340709 /nfs/dbraw/zinc/34/07/09/1020340709.db2.gz KWYZQGOOWQFWPU-OAHLLOKOSA-N 1 1 326.282 4.029 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007420334 1020636494 /nfs/dbraw/zinc/63/64/94/1020636494.db2.gz VPDJKGQODVDDLY-INIZCTEOSA-N 1 1 349.478 4.315 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007420334 1020636508 /nfs/dbraw/zinc/63/65/08/1020636508.db2.gz VPDJKGQODVDDLY-INIZCTEOSA-N 1 1 349.478 4.315 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167247878 1020665258 /nfs/dbraw/zinc/66/52/58/1020665258.db2.gz GCIGFIBULGCUSY-IAGOWNOFSA-N 1 1 340.389 4.269 20 30 EIEDMO C=C(C)c1cccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000890891215 1020860871 /nfs/dbraw/zinc/86/08/71/1020860871.db2.gz PSAHXDHGQUWUNS-UHFFFAOYSA-N 1 1 335.451 4.278 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)s1 ZINC000176980789 1020943745 /nfs/dbraw/zinc/94/37/45/1020943745.db2.gz RFMSGGSSVFRQJE-UHFFFAOYSA-N 1 1 328.771 4.164 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001167302065 1020978458 /nfs/dbraw/zinc/97/84/58/1020978458.db2.gz GBPQEZQEOSWKJB-QGZVFWFLSA-N 1 1 335.407 4.236 20 30 EIEDMO Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1-c1ccccc1 ZINC000180029757 1021379061 /nfs/dbraw/zinc/37/90/61/1021379061.db2.gz ADAWPFMNWBGMSJ-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1-c1ccccc1 ZINC000180029757 1021379080 /nfs/dbraw/zinc/37/90/80/1021379080.db2.gz ADAWPFMNWBGMSJ-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000376095911 1021431619 /nfs/dbraw/zinc/43/16/19/1021431619.db2.gz JYOLIHMRLJDRKM-DLBZAZTESA-N 1 1 349.519 4.038 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685391 1021442776 /nfs/dbraw/zinc/44/27/76/1021442776.db2.gz IAYKDBICOQCFAU-INIZCTEOSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685391 1021442802 /nfs/dbraw/zinc/44/28/02/1021442802.db2.gz IAYKDBICOQCFAU-INIZCTEOSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@@H](CNc1ccc(Cl)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000511394124 1021494050 /nfs/dbraw/zinc/49/40/50/1021494050.db2.gz AXFXVJDXVNFPIT-AWEZNQCLSA-N 1 1 325.843 4.070 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(F)(F)F)cs1 ZINC000177708400 1021628295 /nfs/dbraw/zinc/62/82/95/1021628295.db2.gz SQDUMPBPIWURTI-SNVBAGLBSA-N 1 1 331.388 4.336 20 30 EIEDMO C[NH+](C)C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518573 1021859949 /nfs/dbraw/zinc/85/99/49/1021859949.db2.gz IWXUYVQSZZOAIB-WOJBJXKFSA-N 1 1 339.870 4.091 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OCCOC)cc1)Cc1ccccc1F ZINC000511480682 1021872864 /nfs/dbraw/zinc/87/28/64/1021872864.db2.gz WOPGZMYBDYGDEB-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCCOC)cc1)Cc1ccccc1F ZINC000511480682 1021872866 /nfs/dbraw/zinc/87/28/66/1021872866.db2.gz WOPGZMYBDYGDEB-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430903 1022011675 /nfs/dbraw/zinc/01/16/75/1022011675.db2.gz HXOBHTQIGOWVSS-IEBWSBKVSA-N 1 1 334.467 4.108 20 30 EIEDMO CC(C)Sc1cc(Br)ccc1C[NH2+]CC1(C#N)CC1 ZINC000580509254 1022136284 /nfs/dbraw/zinc/13/62/84/1022136284.db2.gz PWWUWXIHOSFMIQ-UHFFFAOYSA-N 1 1 339.302 4.343 20 30 EIEDMO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000378192581 1022502479 /nfs/dbraw/zinc/50/24/79/1022502479.db2.gz ZSQPKTMSQVISLP-SGTLLEGYSA-N 1 1 342.826 4.395 20 30 EIEDMO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000378192583 1022504367 /nfs/dbraw/zinc/50/43/67/1022504367.db2.gz ZSQPKTMSQVISLP-XIKOKIGWSA-N 1 1 342.826 4.395 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001167733891 1022616136 /nfs/dbraw/zinc/61/61/36/1022616136.db2.gz FIEVYPYCWIHESQ-NRFANRHFSA-N 1 1 344.462 4.215 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691422 1033069520 /nfs/dbraw/zinc/06/95/20/1033069520.db2.gz CARHJGRZXLMLSA-UHOFOFEASA-N 1 1 326.337 4.268 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691422 1033069532 /nfs/dbraw/zinc/06/95/32/1033069532.db2.gz CARHJGRZXLMLSA-UHOFOFEASA-N 1 1 326.337 4.268 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000180620776 1022753681 /nfs/dbraw/zinc/75/36/81/1022753681.db2.gz SRXYCCRLAWDOIW-PBHICJAKSA-N 1 1 330.453 4.081 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 ZINC000510389223 1023034608 /nfs/dbraw/zinc/03/46/08/1023034608.db2.gz LYRPDVMMCGLWLE-UHFFFAOYSA-N 1 1 349.478 4.457 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC001167457621 1023100622 /nfs/dbraw/zinc/10/06/22/1023100622.db2.gz GQFKYWPQJJSJOB-UHFFFAOYSA-N 1 1 328.378 4.346 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC001167457621 1023100626 /nfs/dbraw/zinc/10/06/26/1023100626.db2.gz GQFKYWPQJJSJOB-UHFFFAOYSA-N 1 1 328.378 4.346 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595207 1023152980 /nfs/dbraw/zinc/15/29/80/1023152980.db2.gz LJFIHKSTRGFVJR-HNNXBMFYSA-N 1 1 325.843 4.353 20 30 EIEDMO CCOc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)cc1 ZINC000236851590 1023172056 /nfs/dbraw/zinc/17/20/56/1023172056.db2.gz PJNNPAJOJXVOAF-OAQYLSRUSA-N 1 1 332.403 4.429 20 30 EIEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1C#N ZINC000135168216 1023173340 /nfs/dbraw/zinc/17/33/40/1023173340.db2.gz GXDARMUPTPSMLB-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1C#N ZINC000135168216 1023173349 /nfs/dbraw/zinc/17/33/49/1023173349.db2.gz GXDARMUPTPSMLB-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053235435 1023205962 /nfs/dbraw/zinc/20/59/62/1023205962.db2.gz AVGBDKWVVDHBGJ-GFCCVEGCSA-N 1 1 347.871 4.295 20 30 EIEDMO C#Cc1cccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000376643832 1023247642 /nfs/dbraw/zinc/24/76/42/1023247642.db2.gz OOMXMTSTXXBQPP-SFHVURJKSA-N 1 1 347.462 4.113 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000376824232 1023321225 /nfs/dbraw/zinc/32/12/25/1023321225.db2.gz URHAQHLMXKOHPB-MRXNPFEDSA-N 1 1 330.435 4.152 20 30 EIEDMO C#CCC1([NH2+]Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCC1 ZINC000933300796 1023344458 /nfs/dbraw/zinc/34/44/58/1023344458.db2.gz FEAGYQIYBXHUSH-UHFFFAOYSA-N 1 1 336.222 4.079 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1C#N ZINC000549173592 1023420452 /nfs/dbraw/zinc/42/04/52/1023420452.db2.gz SMLFOTPQQJIQPD-MRXNPFEDSA-N 1 1 338.373 4.121 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800181 1023576421 /nfs/dbraw/zinc/57/64/21/1023576421.db2.gz GTOHOMTYHXEBMS-ZHRRBRCNSA-N 1 1 346.430 4.119 20 30 EIEDMO C=CCOc1cccc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000549269727 1023600616 /nfs/dbraw/zinc/60/06/16/1023600616.db2.gz OVYGQUCNZNZHBK-HXUWFJFHSA-N 1 1 344.886 4.297 20 30 EIEDMO C=CCOc1cccc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000549269726 1023601644 /nfs/dbraw/zinc/60/16/44/1023601644.db2.gz OVYGQUCNZNZHBK-FQEVSTJZSA-N 1 1 344.886 4.297 20 30 EIEDMO C=CCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1-c1ccco1 ZINC000559194532 1023797739 /nfs/dbraw/zinc/79/77/39/1023797739.db2.gz NDGPONNWAXOJRQ-OAHLLOKOSA-N 1 1 346.500 4.079 20 30 EIEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281765 1023800336 /nfs/dbraw/zinc/80/03/36/1023800336.db2.gz FVGFICUZCWZRQR-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281765 1023800340 /nfs/dbraw/zinc/80/03/40/1023800340.db2.gz FVGFICUZCWZRQR-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281765 1023800344 /nfs/dbraw/zinc/80/03/44/1023800344.db2.gz FVGFICUZCWZRQR-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO Cc1nsc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000341532130 1023833014 /nfs/dbraw/zinc/83/30/14/1023833014.db2.gz ZVNSLBBUQJIIAS-CQSZACIVSA-N 1 1 340.496 4.167 20 30 EIEDMO COc1cccc2c(NCc3ccc(OCC#N)cc3)cc(C)[nH+]c12 ZINC000178209613 1023839407 /nfs/dbraw/zinc/83/94/07/1023839407.db2.gz LPLZOTMMCFKVSZ-UHFFFAOYSA-N 1 1 333.391 4.066 20 30 EIEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325090 1023932669 /nfs/dbraw/zinc/93/26/69/1023932669.db2.gz MTWTWBVTBMXKJX-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325090 1023932686 /nfs/dbraw/zinc/93/26/86/1023932686.db2.gz MTWTWBVTBMXKJX-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(Br)c1 ZINC000053331746 1023939966 /nfs/dbraw/zinc/93/99/66/1023939966.db2.gz YDNGUXGIQCUTCX-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000124384830 1023941143 /nfs/dbraw/zinc/94/11/43/1023941143.db2.gz FCONMXVORQSHSQ-HNNXBMFYSA-N 1 1 335.517 4.095 20 30 EIEDMO N#CCC1(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000430751034 1024007622 /nfs/dbraw/zinc/00/76/22/1024007622.db2.gz RQKPVBQYKKOELQ-MRXNPFEDSA-N 1 1 345.240 4.415 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001143544781 1033182856 /nfs/dbraw/zinc/18/28/56/1033182856.db2.gz JMVCBVHFHXWERQ-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001143544781 1033182863 /nfs/dbraw/zinc/18/28/63/1033182863.db2.gz JMVCBVHFHXWERQ-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380603 1024079009 /nfs/dbraw/zinc/07/90/09/1024079009.db2.gz OWZHPXRFEZBVIP-JSGCOSHPSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380603 1024079025 /nfs/dbraw/zinc/07/90/25/1024079025.db2.gz OWZHPXRFEZBVIP-JSGCOSHPSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(OC)cc1 ZINC000510645866 1024140495 /nfs/dbraw/zinc/14/04/95/1024140495.db2.gz NVZYWWYOJLCXKD-UHFFFAOYSA-N 1 1 341.842 4.185 20 30 EIEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(OC)cc1 ZINC000510645866 1024140512 /nfs/dbraw/zinc/14/05/12/1024140512.db2.gz NVZYWWYOJLCXKD-UHFFFAOYSA-N 1 1 341.842 4.185 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913785 1024221636 /nfs/dbraw/zinc/22/16/36/1024221636.db2.gz YDAYJYLCWIPMEG-PGRDOPGGSA-N 1 1 334.463 4.343 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(CC(F)(F)F)s1 ZINC000893418868 1024222748 /nfs/dbraw/zinc/22/27/48/1024222748.db2.gz AFEAUXVJGHVNOX-UHFFFAOYSA-N 1 1 330.375 4.072 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCc3sccc3C2)c(OC(F)F)c1 ZINC000610613916 1024321866 /nfs/dbraw/zinc/32/18/66/1024321866.db2.gz LSLIEQQPADHOMJ-UHFFFAOYSA-N 1 1 334.391 4.170 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCc3sccc3C2)c(OC(F)F)c1 ZINC000610613916 1024321884 /nfs/dbraw/zinc/32/18/84/1024321884.db2.gz LSLIEQQPADHOMJ-UHFFFAOYSA-N 1 1 334.391 4.170 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)c1C ZINC001167493543 1024345091 /nfs/dbraw/zinc/34/50/91/1024345091.db2.gz ZNOLYDNWXIWREQ-UYAOXDASSA-N 1 1 326.484 4.275 20 30 EIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n2)cc1 ZINC000893975233 1033212205 /nfs/dbraw/zinc/21/22/05/1033212205.db2.gz AFWORBNHCNAORS-KBPBESRZSA-N 1 1 326.444 4.278 20 30 EIEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n2)cc1 ZINC000893975235 1033213414 /nfs/dbraw/zinc/21/34/14/1033213414.db2.gz AFWORBNHCNAORS-UONOGXRCSA-N 1 1 326.444 4.278 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810763 1024492777 /nfs/dbraw/zinc/49/27/77/1024492777.db2.gz KWAGRJQXPBTGID-CVAIRZPRSA-N 1 1 339.508 4.353 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810763 1024492797 /nfs/dbraw/zinc/49/27/97/1024492797.db2.gz KWAGRJQXPBTGID-CVAIRZPRSA-N 1 1 339.508 4.353 20 30 EIEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093559100 1024587711 /nfs/dbraw/zinc/58/77/11/1024587711.db2.gz KPQICDHPDHZIOM-SFHVURJKSA-N 1 1 334.423 4.225 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610719299 1024718109 /nfs/dbraw/zinc/71/81/09/1024718109.db2.gz WHUJQMAEJYPFME-WIYYLYMNSA-N 1 1 338.426 4.297 20 30 EIEDMO N#CCC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000548486331 1024835804 /nfs/dbraw/zinc/83/58/04/1024835804.db2.gz AJYWBHUQQZRCIH-UHFFFAOYSA-N 1 1 333.407 4.214 20 30 EIEDMO N#CC1(F)CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000510939464 1024856458 /nfs/dbraw/zinc/85/64/58/1024856458.db2.gz ZOPZYEDMROLVHX-UHFFFAOYSA-N 1 1 342.389 4.232 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000662086179 1024857955 /nfs/dbraw/zinc/85/79/55/1024857955.db2.gz PVUJYOIVZFHIRZ-OYRHEFFESA-N 1 1 346.474 4.399 20 30 EIEDMO CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000330250109 1024880061 /nfs/dbraw/zinc/88/00/61/1024880061.db2.gz HAEZIRWIIVBPBQ-QWHCGFSZSA-N 1 1 331.485 4.207 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000093888797 1024914616 /nfs/dbraw/zinc/91/46/16/1024914616.db2.gz GJELZNYDGVCULC-VOIUYBSRSA-N 1 1 343.492 4.182 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000093888798 1024915085 /nfs/dbraw/zinc/91/50/85/1024915085.db2.gz GJELZNYDGVCULC-FYSMJZIKSA-N 1 1 343.492 4.182 20 30 EIEDMO CCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000535789697 1024945213 /nfs/dbraw/zinc/94/52/13/1024945213.db2.gz RMBZZVWSGZXVIP-UHFFFAOYSA-N 1 1 344.462 4.215 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c(F)c1 ZINC000610812868 1025033575 /nfs/dbraw/zinc/03/35/75/1025033575.db2.gz YGRJKDCTAALRRV-QGZVFWFLSA-N 1 1 330.790 4.354 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000063493742 1025097883 /nfs/dbraw/zinc/09/78/83/1025097883.db2.gz ULAUDQLWEMXGNU-UHFFFAOYSA-N 1 1 333.863 4.195 20 30 EIEDMO C=C[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181549567 1025241479 /nfs/dbraw/zinc/24/14/79/1025241479.db2.gz VUIXTNLYDGTNFH-QWFCFKBJSA-N 1 1 340.511 4.116 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473191069 1025295674 /nfs/dbraw/zinc/29/56/74/1025295674.db2.gz WHXGBVVFRDGRNO-HZPDHXFCSA-N 1 1 345.430 4.122 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473191069 1025295686 /nfs/dbraw/zinc/29/56/86/1025295686.db2.gz WHXGBVVFRDGRNO-HZPDHXFCSA-N 1 1 345.430 4.122 20 30 EIEDMO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)c1 ZINC000314825300 1025369987 /nfs/dbraw/zinc/36/99/87/1025369987.db2.gz RBSVTNWBECOSCI-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1)C(C)C ZINC000440049073 1025570195 /nfs/dbraw/zinc/57/01/95/1025570195.db2.gz IJIQSBLCLIVDCI-UHFFFAOYSA-N 1 1 335.451 4.065 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000120781632 1025850072 /nfs/dbraw/zinc/85/00/72/1025850072.db2.gz XXYKOQKIPNCXPK-UHFFFAOYSA-N 1 1 346.352 4.019 20 30 EIEDMO CCOc1cc(C[N@@H+](C)CCC(C)(C)C#N)ccc1OC(F)F ZINC000157633047 1025890430 /nfs/dbraw/zinc/89/04/30/1025890430.db2.gz ZDHCJRVWQQQVJL-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1ncc(C#N)cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000582052783 1026036357 /nfs/dbraw/zinc/03/63/57/1026036357.db2.gz SJCPXQCBXIEEHK-FQELHTAISA-N 1 1 334.467 4.314 20 30 EIEDMO Fc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1OC(F)(F)F ZINC001143436701 1026180003 /nfs/dbraw/zinc/18/00/03/1026180003.db2.gz RTKNYYSZXYBYNY-LBPRGKRZSA-N 1 1 345.258 4.294 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000582109614 1026183223 /nfs/dbraw/zinc/18/32/23/1026183223.db2.gz PWGYSDVYLUMJGQ-UHFFFAOYSA-N 1 1 343.515 4.389 20 30 EIEDMO O[C@H](c1ccccc1)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000134964233 1026197535 /nfs/dbraw/zinc/19/75/35/1026197535.db2.gz RMMYCGMPYMTXIK-OAQYLSRUSA-N 1 1 339.866 4.137 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290155 1026337312 /nfs/dbraw/zinc/33/73/12/1026337312.db2.gz GLZLWVZAMUHRJU-XJKSGUPXSA-N 1 1 327.378 4.084 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507003536 1026592207 /nfs/dbraw/zinc/59/22/07/1026592207.db2.gz WEUMWWMTGZDFEG-UHFFFAOYSA-N 1 1 348.855 4.035 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507003536 1026592212 /nfs/dbraw/zinc/59/22/12/1026592212.db2.gz WEUMWWMTGZDFEG-UHFFFAOYSA-N 1 1 348.855 4.035 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000344795922 1026597803 /nfs/dbraw/zinc/59/78/03/1026597803.db2.gz PVBPOJKMYFJEDD-SFHVURJKSA-N 1 1 342.826 4.246 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)nn1 ZINC000657428963 1026630098 /nfs/dbraw/zinc/63/00/98/1026630098.db2.gz OYELVNODTPOGGW-KXBFYZLASA-N 1 1 336.483 4.244 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511125460 1026637704 /nfs/dbraw/zinc/63/77/04/1026637704.db2.gz NWLWDDDUSBQTRQ-UHFFFAOYSA-N 1 1 348.368 4.326 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1 ZINC000507169299 1026683975 /nfs/dbraw/zinc/68/39/75/1026683975.db2.gz IGTXCENNWZITOS-UHFFFAOYSA-N 1 1 333.229 4.324 20 30 EIEDMO CCCCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000507215294 1026706899 /nfs/dbraw/zinc/70/68/99/1026706899.db2.gz VFJIEUNZBHWRTF-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1nccs1 ZINC000119877589 1026714646 /nfs/dbraw/zinc/71/46/46/1026714646.db2.gz XMTZNPWIQXLWQJ-HNNXBMFYSA-N 1 1 345.468 4.075 20 30 EIEDMO CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507252784 1026718095 /nfs/dbraw/zinc/71/80/95/1026718095.db2.gz OCWNSFZZEDBRKE-UHFFFAOYSA-N 1 1 344.462 4.499 20 30 EIEDMO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507252784 1026718108 /nfs/dbraw/zinc/71/81/08/1026718108.db2.gz OCWNSFZZEDBRKE-UHFFFAOYSA-N 1 1 344.462 4.499 20 30 EIEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000342663394 1026822448 /nfs/dbraw/zinc/82/24/48/1026822448.db2.gz QDXLVLPEHZTDQP-QGZVFWFLSA-N 1 1 337.467 4.106 20 30 EIEDMO CC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507684797 1026873724 /nfs/dbraw/zinc/87/37/24/1026873724.db2.gz AIYFOHQQFTZDSM-MSOLQXFVSA-N 1 1 343.515 4.272 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000507695269 1026876419 /nfs/dbraw/zinc/87/64/19/1026876419.db2.gz RIMVGDBUGZGQKU-UHFFFAOYSA-N 1 1 342.446 4.112 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000507695269 1026876428 /nfs/dbraw/zinc/87/64/28/1026876428.db2.gz RIMVGDBUGZGQKU-UHFFFAOYSA-N 1 1 342.446 4.112 20 30 EIEDMO CC[N@@H+](CCCOc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507709495 1026883944 /nfs/dbraw/zinc/88/39/44/1026883944.db2.gz SUHPHJQUUVJEHW-KRWDZBQOSA-N 1 1 338.451 4.419 20 30 EIEDMO Fc1ccccc1OCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353965 1026987882 /nfs/dbraw/zinc/98/78/82/1026987882.db2.gz WKIOMSDVBYJNKW-UHFFFAOYSA-N 1 1 345.258 4.021 20 30 EIEDMO Fc1ccccc1OCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353965 1026987888 /nfs/dbraw/zinc/98/78/88/1026987888.db2.gz WKIOMSDVBYJNKW-UHFFFAOYSA-N 1 1 345.258 4.021 20 30 EIEDMO COc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000087787604 1027198951 /nfs/dbraw/zinc/19/89/51/1027198951.db2.gz JXBBQUWWLSWIPP-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745623 1027222154 /nfs/dbraw/zinc/22/21/54/1027222154.db2.gz RRWSUBDIQYAGIS-VGOFRKELSA-N 1 1 333.479 4.360 20 30 EIEDMO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745623 1027222169 /nfs/dbraw/zinc/22/21/69/1027222169.db2.gz RRWSUBDIQYAGIS-VGOFRKELSA-N 1 1 333.479 4.360 20 30 EIEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000441111268 1027281121 /nfs/dbraw/zinc/28/11/21/1027281121.db2.gz JBNKIMCPBVFLQU-HXUWFJFHSA-N 1 1 336.479 4.261 20 30 EIEDMO C[N@@H+](CC1(c2ccc(Br)cc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000429692286 1027378891 /nfs/dbraw/zinc/37/88/91/1027378891.db2.gz RWGQOVVWKYUYNT-XJKSGUPXSA-N 1 1 333.273 4.105 20 30 EIEDMO C[C@@H]1C[C@@H](NC2(CC#N)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042606 1027564193 /nfs/dbraw/zinc/56/41/93/1027564193.db2.gz ZYPIJALJYWHEHR-OPVJXMOQSA-N 1 1 325.500 4.244 20 30 EIEDMO O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329172259 1027624419 /nfs/dbraw/zinc/62/44/19/1027624419.db2.gz AFBUBSUNXDCFGM-INIZCTEOSA-N 1 1 349.500 4.032 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428364216 1027709249 /nfs/dbraw/zinc/70/92/49/1027709249.db2.gz PCEVIHYKDNGEFP-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000474898678 1027763216 /nfs/dbraw/zinc/76/32/16/1027763216.db2.gz RBJZBPWAVOFDEA-GOSISDBHSA-N 1 1 340.511 4.424 20 30 EIEDMO C[C@]1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCO1 ZINC000329420849 1027773245 /nfs/dbraw/zinc/77/32/45/1027773245.db2.gz FFRQQUWHYIOHEB-OXQOHEQNSA-N 1 1 345.487 4.019 20 30 EIEDMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)s1 ZINC000329470793 1027805109 /nfs/dbraw/zinc/80/51/09/1027805109.db2.gz YNBBFWRXMFFSBO-UHFFFAOYSA-N 1 1 347.528 4.202 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(C)noc2C(C)C)C1 ZINC000330668032 1027873251 /nfs/dbraw/zinc/87/32/51/1027873251.db2.gz BWYAQVNZHPBWPJ-OAHLLOKOSA-N 1 1 335.492 4.312 20 30 EIEDMO C[N@@H+](CCOCC1CC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444652326 1027921832 /nfs/dbraw/zinc/92/18/32/1027921832.db2.gz IZPCGBKSPBEYFB-UHFFFAOYSA-N 1 1 348.490 4.245 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000444672625 1027956579 /nfs/dbraw/zinc/95/65/79/1027956579.db2.gz HPPXSFUTLPCRFX-ZDUSSCGKSA-N 1 1 343.352 4.273 20 30 EIEDMO CC(C)(O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000444684916 1027966339 /nfs/dbraw/zinc/96/63/39/1027966339.db2.gz MHKWUSAJBCLCOI-UHFFFAOYSA-N 1 1 348.490 4.122 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000475616704 1028176184 /nfs/dbraw/zinc/17/61/84/1028176184.db2.gz HDQRVBHBQRAUHY-LJQANCHMSA-N 1 1 336.483 4.217 20 30 EIEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000523556600 1028210313 /nfs/dbraw/zinc/21/03/13/1028210313.db2.gz DBPIYCAGFNEBTR-LJQANCHMSA-N 1 1 341.499 4.205 20 30 EIEDMO CCN(CC)CC[N@@H+](Cc1cccs1)CC1CCC(C#N)CC1 ZINC001167658641 1028225430 /nfs/dbraw/zinc/22/54/30/1028225430.db2.gz JJZFTEBTDFJOOX-UHFFFAOYSA-N 1 1 333.545 4.222 20 30 EIEDMO CCN(CC)CC[N@H+](Cc1cccs1)CC1CCC(C#N)CC1 ZINC001167658641 1028225448 /nfs/dbraw/zinc/22/54/48/1028225448.db2.gz JJZFTEBTDFJOOX-UHFFFAOYSA-N 1 1 333.545 4.222 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000330290735 1028270660 /nfs/dbraw/zinc/27/06/60/1028270660.db2.gz GBWMREVCFCMYCA-QGZVFWFLSA-N 1 1 343.471 4.056 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000155005454 1028338646 /nfs/dbraw/zinc/33/86/46/1028338646.db2.gz MHHZPUJTRDDGQL-UHFFFAOYSA-N 1 1 345.450 4.072 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000155005454 1028338665 /nfs/dbraw/zinc/33/86/65/1028338665.db2.gz MHHZPUJTRDDGQL-UHFFFAOYSA-N 1 1 345.450 4.072 20 30 EIEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)c(C)c1 ZINC000281358285 1028558237 /nfs/dbraw/zinc/55/82/37/1028558237.db2.gz NPGVTLUYYXIRRI-LJQANCHMSA-N 1 1 326.484 4.193 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445440326 1028559940 /nfs/dbraw/zinc/55/99/40/1028559940.db2.gz ORFLTJBQUGKQJI-KSFYIVLOSA-N 1 1 332.447 4.181 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445440326 1028559979 /nfs/dbraw/zinc/55/99/79/1028559979.db2.gz ORFLTJBQUGKQJI-KSFYIVLOSA-N 1 1 332.447 4.181 20 30 EIEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Oc1ccccc1 ZINC000428405168 1028642540 /nfs/dbraw/zinc/64/25/40/1028642540.db2.gz DGQSKQWHFJQSEK-RBUKOAKNSA-N 1 1 333.435 4.389 20 30 EIEDMO CSc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000583472174 1028788567 /nfs/dbraw/zinc/78/85/67/1028788567.db2.gz UJPSXXPHDPRTMQ-UHFFFAOYSA-N 1 1 343.521 4.054 20 30 EIEDMO C[C@H]1SCC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837411 1028986633 /nfs/dbraw/zinc/98/66/33/1028986633.db2.gz YQJPLBBJSGMYIR-OXQOHEQNSA-N 1 1 338.476 4.116 20 30 EIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281991928 1029045625 /nfs/dbraw/zinc/04/56/25/1029045625.db2.gz MUNQSXVLNXDXBN-FQEVSTJZSA-N 1 1 328.500 4.349 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000340461218 1029138529 /nfs/dbraw/zinc/13/85/29/1029138529.db2.gz PSFDEDXEICDLNQ-GFCCVEGCSA-N 1 1 326.350 4.154 20 30 EIEDMO C[C@@H]1CC([N@H+](C)Cc2ccc(C#N)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168053327 1029158583 /nfs/dbraw/zinc/15/85/83/1029158583.db2.gz NSVGKQCQMCINNC-RTBURBONSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H]1CC([N@@H+](C)Cc2ccc(C#N)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168053327 1029158589 /nfs/dbraw/zinc/15/85/89/1029158589.db2.gz NSVGKQCQMCINNC-RTBURBONSA-N 1 1 347.506 4.432 20 30 EIEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)cc1 ZINC000524754802 1029203200 /nfs/dbraw/zinc/20/32/00/1029203200.db2.gz QFLQKJDNJCCLOP-UHFFFAOYSA-N 1 1 346.434 4.329 20 30 EIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)cc1 ZINC000524754802 1029203214 /nfs/dbraw/zinc/20/32/14/1029203214.db2.gz QFLQKJDNJCCLOP-UHFFFAOYSA-N 1 1 346.434 4.329 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@H]12 ZINC000524758844 1029209564 /nfs/dbraw/zinc/20/95/64/1029209564.db2.gz GYMTZRTWTYBBGX-ZTFGCOKTSA-N 1 1 336.439 4.009 20 30 EIEDMO CC[C@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000524907151 1029323628 /nfs/dbraw/zinc/32/36/28/1029323628.db2.gz ACUTVUZYALPDJG-KRWDZBQOSA-N 1 1 338.451 4.246 20 30 EIEDMO Cc1ccnc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000343482344 1029341387 /nfs/dbraw/zinc/34/13/87/1029341387.db2.gz WIECOMMXSJSGHY-INIZCTEOSA-N 1 1 334.467 4.106 20 30 EIEDMO CC[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000343492800 1029363318 /nfs/dbraw/zinc/36/33/18/1029363318.db2.gz CBKZUQUGBZWSEX-IRXDYDNUSA-N 1 1 332.806 4.125 20 30 EIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000584012654 1029515443 /nfs/dbraw/zinc/51/54/43/1029515443.db2.gz YFXLWLFAPVGOHE-OCCSQVGLSA-N 1 1 342.443 4.352 20 30 EIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000584012653 1029515829 /nfs/dbraw/zinc/51/58/29/1029515829.db2.gz YFXLWLFAPVGOHE-JSGCOSHPSA-N 1 1 342.443 4.352 20 30 EIEDMO Cc1ccsc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475358161 1029575980 /nfs/dbraw/zinc/57/59/80/1029575980.db2.gz JSGWWTPNWUHIHA-KRWDZBQOSA-N 1 1 345.899 4.092 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897267225 1029637060 /nfs/dbraw/zinc/63/70/60/1029637060.db2.gz CGWDVBNRHBHFOC-HXUWFJFHSA-N 1 1 342.483 4.008 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677663 1029676598 /nfs/dbraw/zinc/67/65/98/1029676598.db2.gz IPQQRMYOQAQSBG-LLVKDONJSA-N 1 1 347.178 4.095 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677663 1029676601 /nfs/dbraw/zinc/67/66/01/1029676601.db2.gz IPQQRMYOQAQSBG-LLVKDONJSA-N 1 1 347.178 4.095 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000135286710 1029724340 /nfs/dbraw/zinc/72/43/40/1029724340.db2.gz DAIQJRSYXUTJSU-SFHVURJKSA-N 1 1 326.465 4.123 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000135286710 1029724349 /nfs/dbraw/zinc/72/43/49/1029724349.db2.gz DAIQJRSYXUTJSU-SFHVURJKSA-N 1 1 326.465 4.123 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000343734541 1029728664 /nfs/dbraw/zinc/72/86/64/1029728664.db2.gz KPVULBZPASNXKU-HZPDHXFCSA-N 1 1 340.471 4.286 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248626241 1029729997 /nfs/dbraw/zinc/72/99/97/1029729997.db2.gz OCDPIWFCCXTALR-JBACZVJFSA-N 1 1 340.511 4.102 20 30 EIEDMO Cc1c([C@@H](C)[NH2+]Cc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000179076402 1029732581 /nfs/dbraw/zinc/73/25/81/1029732581.db2.gz WKMQKLJWJYUSDM-CQSZACIVSA-N 1 1 334.398 4.042 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc2ccccc21 ZINC000053017079 1029800011 /nfs/dbraw/zinc/80/00/11/1029800011.db2.gz VXZJGBGYSKIFBM-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)o1 ZINC000092018850 1029896984 /nfs/dbraw/zinc/89/69/84/1029896984.db2.gz CAXDWZVIBSUOBW-UHFFFAOYSA-N 1 1 332.325 4.459 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)o1 ZINC000092018850 1029896986 /nfs/dbraw/zinc/89/69/86/1029896986.db2.gz CAXDWZVIBSUOBW-UHFFFAOYSA-N 1 1 332.325 4.459 20 30 EIEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC1CCC(C#N)CC1 ZINC001168124326 1029939811 /nfs/dbraw/zinc/93/98/11/1029939811.db2.gz DUCFCNGOZBWKTC-UHFFFAOYSA-N 1 1 326.362 4.347 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)s1 ZINC000428487174 1030100451 /nfs/dbraw/zinc/10/04/51/1030100451.db2.gz VWYRGEJCDGPDNO-SECBINFHSA-N 1 1 339.233 4.372 20 30 EIEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956446 1030132835 /nfs/dbraw/zinc/13/28/35/1030132835.db2.gz IESYAXFUFDGJLN-WDSOQIARSA-N 1 1 332.875 4.117 20 30 EIEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958356 1030133714 /nfs/dbraw/zinc/13/37/14/1030133714.db2.gz MYYGVAFEHCPPSO-QYZOEREBSA-N 1 1 332.875 4.117 20 30 EIEDMO Fc1ccccc1CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000681111565 1030154823 /nfs/dbraw/zinc/15/48/23/1030154823.db2.gz KNQPZADIMXFCOM-PHIMTYICSA-N 1 1 329.259 4.041 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000447680554 1030269559 /nfs/dbraw/zinc/26/95/59/1030269559.db2.gz RHQCBJZMAOJPNU-INIZCTEOSA-N 1 1 336.483 4.008 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186696448 1030302882 /nfs/dbraw/zinc/30/28/82/1030302882.db2.gz QFAUCWZWAVFLAG-QFIPXVFZSA-N 1 1 332.447 4.119 20 30 EIEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000187895824 1030375813 /nfs/dbraw/zinc/37/58/13/1030375813.db2.gz GXTSLOGGNGYBHX-ICSRJNTNSA-N 1 1 340.511 4.244 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451457479 1030511851 /nfs/dbraw/zinc/51/18/51/1030511851.db2.gz DHNUEBPAQJBFDK-HXUWFJFHSA-N 1 1 346.434 4.041 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668527 1030624162 /nfs/dbraw/zinc/62/41/62/1030624162.db2.gz HCRXXGPVPNPFSU-QGZVFWFLSA-N 1 1 347.462 4.114 20 30 EIEDMO COCC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000451691349 1030662088 /nfs/dbraw/zinc/66/20/88/1030662088.db2.gz QPGUXMJKUUYSHV-OAHLLOKOSA-N 1 1 326.362 4.066 20 30 EIEDMO CC[N@@H+](Cc1ccnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000448334634 1030744808 /nfs/dbraw/zinc/74/48/08/1030744808.db2.gz JLVBBKFHEDKICP-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)o1 ZINC000130113926 1030807006 /nfs/dbraw/zinc/80/70/06/1030807006.db2.gz OEIVBVVQIXPQAP-UHFFFAOYSA-N 1 1 331.213 4.078 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2)C2CC2)o1 ZINC000130113926 1030807009 /nfs/dbraw/zinc/80/70/09/1030807009.db2.gz OEIVBVVQIXPQAP-UHFFFAOYSA-N 1 1 331.213 4.078 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180297 1030807945 /nfs/dbraw/zinc/80/79/45/1030807945.db2.gz QIZUTNMVSBHBHY-FFZOFVMBSA-N 1 1 349.902 4.097 20 30 EIEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000612065134 1030844091 /nfs/dbraw/zinc/84/40/91/1030844091.db2.gz HKDISAWOLXLFLT-VXKWHMMOSA-N 1 1 334.463 4.352 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC001168194003 1031033901 /nfs/dbraw/zinc/03/39/01/1031033901.db2.gz XFDJFFGAPFLYRB-PMACEKPBSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168194003 1031033921 /nfs/dbraw/zinc/03/39/21/1031033921.db2.gz XFDJFFGAPFLYRB-PMACEKPBSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168194003 1031033944 /nfs/dbraw/zinc/03/39/44/1031033944.db2.gz XFDJFFGAPFLYRB-PMACEKPBSA-N 1 1 339.527 4.445 20 30 EIEDMO CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463187 1031079924 /nfs/dbraw/zinc/07/99/24/1031079924.db2.gz TZQLAXMLILAXHI-KRWDZBQOSA-N 1 1 345.450 4.031 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463160 1031080671 /nfs/dbraw/zinc/08/06/71/1031080671.db2.gz ZOCUVGUDEFGWEF-ZDUSSCGKSA-N 1 1 330.863 4.091 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463160 1031080690 /nfs/dbraw/zinc/08/06/90/1031080690.db2.gz ZOCUVGUDEFGWEF-ZDUSSCGKSA-N 1 1 330.863 4.091 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000188498540 1031285989 /nfs/dbraw/zinc/28/59/89/1031285989.db2.gz FRCJZBHRXCBJCZ-LIRRHRJNSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000188498540 1031286005 /nfs/dbraw/zinc/28/60/05/1031286005.db2.gz FRCJZBHRXCBJCZ-LIRRHRJNSA-N 1 1 326.827 4.346 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000375822030 1031301825 /nfs/dbraw/zinc/30/18/25/1031301825.db2.gz FCTSNFDRSQQKKD-HXUWFJFHSA-N 1 1 337.467 4.105 20 30 EIEDMO C[C@H]1C[NH+](Cc2ccccc2NC2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449051870 1031404057 /nfs/dbraw/zinc/40/40/57/1031404057.db2.gz WSYUFICSSASHMI-OFNGQUKOSA-N 1 1 341.499 4.180 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528362292 1031437450 /nfs/dbraw/zinc/43/74/50/1031437450.db2.gz CXLSRJGQJCCJBV-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000612406420 1031480830 /nfs/dbraw/zinc/48/08/30/1031480830.db2.gz LSYWVXDEMYQONJ-SFHVURJKSA-N 1 1 341.436 4.449 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000612406420 1031480837 /nfs/dbraw/zinc/48/08/37/1031480837.db2.gz LSYWVXDEMYQONJ-SFHVURJKSA-N 1 1 341.436 4.449 20 30 EIEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000612407171 1031491506 /nfs/dbraw/zinc/49/15/06/1031491506.db2.gz ZQYUVJRFELTHSJ-KRWDZBQOSA-N 1 1 348.372 4.017 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000612407171 1031491519 /nfs/dbraw/zinc/49/15/19/1031491519.db2.gz ZQYUVJRFELTHSJ-KRWDZBQOSA-N 1 1 348.372 4.017 20 30 EIEDMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365359557 1031642449 /nfs/dbraw/zinc/64/24/49/1031642449.db2.gz SGAWJSQRBPMTMB-INIZCTEOSA-N 1 1 330.790 4.273 20 30 EIEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472441482 1031656036 /nfs/dbraw/zinc/65/60/36/1031656036.db2.gz YATGGJRRKJELMD-ICSRJNTNSA-N 1 1 327.516 4.474 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601684 1031668904 /nfs/dbraw/zinc/66/89/04/1031668904.db2.gz GFVKJQVQIZKKFA-UHFFFAOYSA-N 1 1 337.448 4.201 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000449731317 1031958688 /nfs/dbraw/zinc/95/86/88/1031958688.db2.gz HYBNQGLKWOQKFT-INIZCTEOSA-N 1 1 340.414 4.296 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000449731318 1031959047 /nfs/dbraw/zinc/95/90/47/1031959047.db2.gz HYBNQGLKWOQKFT-MRXNPFEDSA-N 1 1 340.414 4.296 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000135165813 1032024658 /nfs/dbraw/zinc/02/46/58/1032024658.db2.gz PYARABRYPLZQPG-INIZCTEOSA-N 1 1 325.481 4.324 20 30 EIEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159909 1033528801 /nfs/dbraw/zinc/52/88/01/1033528801.db2.gz AMCKHNADNFNHCX-UHFFFAOYSA-N 1 1 344.462 4.305 20 30 EIEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159686 1033528976 /nfs/dbraw/zinc/52/89/76/1033528976.db2.gz PFYIKEXJIJKIEO-UHFFFAOYSA-N 1 1 349.478 4.175 20 30 EIEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159686 1033528990 /nfs/dbraw/zinc/52/89/90/1033528990.db2.gz PFYIKEXJIJKIEO-UHFFFAOYSA-N 1 1 349.478 4.175 20 30 EIEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179229 1033591757 /nfs/dbraw/zinc/59/17/57/1033591757.db2.gz LJIXXKXPWMSZLV-AWEZNQCLSA-N 1 1 326.415 4.486 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(C#N)cc1F ZINC000512671021 1033676302 /nfs/dbraw/zinc/67/63/02/1033676302.db2.gz CZTFALGKOMESMC-CQSZACIVSA-N 1 1 339.414 4.265 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000411190699 1033722138 /nfs/dbraw/zinc/72/21/38/1033722138.db2.gz AIUXFZCRFDLYFO-HNNXBMFYSA-N 1 1 344.405 4.023 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000411190699 1033722166 /nfs/dbraw/zinc/72/21/66/1033722166.db2.gz AIUXFZCRFDLYFO-HNNXBMFYSA-N 1 1 344.405 4.023 20 30 EIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)C#N ZINC000433294960 1034201105 /nfs/dbraw/zinc/20/11/05/1034201105.db2.gz BLSDUGOYQDSNAB-UHFFFAOYSA-N 1 1 331.463 4.368 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)C#N ZINC000433294960 1034201121 /nfs/dbraw/zinc/20/11/21/1034201121.db2.gz BLSDUGOYQDSNAB-UHFFFAOYSA-N 1 1 331.463 4.368 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C)ccc1OC(F)F ZINC000614396006 1034533287 /nfs/dbraw/zinc/53/32/87/1034533287.db2.gz NOTRSDADRRFSOH-UHFFFAOYSA-N 1 1 346.377 4.109 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000614403690 1034549155 /nfs/dbraw/zinc/54/91/55/1034549155.db2.gz PUMNFOALVJHPSH-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000614403690 1034549167 /nfs/dbraw/zinc/54/91/67/1034549167.db2.gz PUMNFOALVJHPSH-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO COCCCC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000419390372 1034670975 /nfs/dbraw/zinc/67/09/75/1034670975.db2.gz PTFBXQNDRKSPAH-UHFFFAOYSA-N 1 1 336.479 4.245 20 30 EIEDMO COc1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513354035 1034889386 /nfs/dbraw/zinc/88/93/86/1034889386.db2.gz YHKBTCHIOOGMQD-LPHOPBHVSA-N 1 1 335.451 4.032 20 30 EIEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000513405816 1034918592 /nfs/dbraw/zinc/91/85/92/1034918592.db2.gz JFQSCFDDNCKWGO-VQIMIIECSA-N 1 1 336.435 4.171 20 30 EIEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106258 1035378505 /nfs/dbraw/zinc/37/85/05/1035378505.db2.gz OCCOSOBQVBUBTO-KRWDZBQOSA-N 1 1 347.890 4.097 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2cnccc21 ZINC000183214419 1035381433 /nfs/dbraw/zinc/38/14/33/1035381433.db2.gz AHMRLMDJPUHDPS-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000501211171 1035399823 /nfs/dbraw/zinc/39/98/23/1035399823.db2.gz QMTDVWWKTGMKRV-KRWDZBQOSA-N 1 1 338.476 4.181 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CC1 ZINC000513717809 1035486894 /nfs/dbraw/zinc/48/68/94/1035486894.db2.gz RZBRNFQSMZKIDA-UHFFFAOYSA-N 1 1 341.436 4.449 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CC1 ZINC000513717809 1035486897 /nfs/dbraw/zinc/48/68/97/1035486897.db2.gz RZBRNFQSMZKIDA-UHFFFAOYSA-N 1 1 341.436 4.449 20 30 EIEDMO C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980941 1035512936 /nfs/dbraw/zinc/51/29/36/1035512936.db2.gz DLHUPDWPKPUONU-UYAOXDASSA-N 1 1 325.500 4.103 20 30 EIEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCCC1 ZINC000594981468 1035513939 /nfs/dbraw/zinc/51/39/39/1035513939.db2.gz QSFUNNYAWOVJRT-UHFFFAOYSA-N 1 1 328.847 4.294 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2-n2ccc(C3CC3)n2)no1 ZINC000904733478 1035565934 /nfs/dbraw/zinc/56/59/34/1035565934.db2.gz IIVVISQEZCCBMA-MRXNPFEDSA-N 1 1 349.438 4.156 20 30 EIEDMO CC[C@H](c1ccccc1)[N@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000575060254 1035663109 /nfs/dbraw/zinc/66/31/09/1035663109.db2.gz ADPRSJVOIYJPDI-HXUWFJFHSA-N 1 1 347.466 4.210 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3cc(F)ccc3OC(F)F)CC2)c1 ZINC000595418716 1035677420 /nfs/dbraw/zinc/67/74/20/1035677420.db2.gz QSFIJWDJKWQUOD-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011871 1035678440 /nfs/dbraw/zinc/67/84/40/1035678440.db2.gz MVMBKQYUHLDXNK-HNNXBMFYSA-N 1 1 341.798 4.109 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCCCC2)c1C ZINC000501876456 1035718479 /nfs/dbraw/zinc/71/84/79/1035718479.db2.gz MUUWFYXLTVJMEO-UHFFFAOYSA-N 1 1 341.499 4.062 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609078 1035748814 /nfs/dbraw/zinc/74/88/14/1035748814.db2.gz FSPSNOPLQGINOJ-ULQDDVLXSA-N 1 1 327.472 4.153 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609078 1035748840 /nfs/dbraw/zinc/74/88/40/1035748840.db2.gz FSPSNOPLQGINOJ-ULQDDVLXSA-N 1 1 327.472 4.153 20 30 EIEDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611088 1035752079 /nfs/dbraw/zinc/75/20/79/1035752079.db2.gz GQNHIRDHCDNMNS-QWHCGFSZSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611088 1035752102 /nfs/dbraw/zinc/75/21/02/1035752102.db2.gz GQNHIRDHCDNMNS-QWHCGFSZSA-N 1 1 330.819 4.077 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595613295 1035753295 /nfs/dbraw/zinc/75/32/95/1035753295.db2.gz ACFHCQPPTSGEFS-CQSZACIVSA-N 1 1 326.362 4.100 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000420938785 1035880211 /nfs/dbraw/zinc/88/02/11/1035880211.db2.gz BBRONVYMCJUIFC-LBPRGKRZSA-N 1 1 348.315 4.324 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000420938785 1035880217 /nfs/dbraw/zinc/88/02/17/1035880217.db2.gz BBRONVYMCJUIFC-LBPRGKRZSA-N 1 1 348.315 4.324 20 30 EIEDMO C=CCSc1ccccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000485453025 1035883513 /nfs/dbraw/zinc/88/35/13/1035883513.db2.gz IOKVPSAYQRLVBX-QGZVFWFLSA-N 1 1 346.540 4.349 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccsc1 ZINC000420998371 1035932820 /nfs/dbraw/zinc/93/28/20/1035932820.db2.gz AYSARYOVBWPAPT-LBPRGKRZSA-N 1 1 333.482 4.091 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccsc1 ZINC000420998371 1035932861 /nfs/dbraw/zinc/93/28/61/1035932861.db2.gz AYSARYOVBWPAPT-LBPRGKRZSA-N 1 1 333.482 4.091 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)cc2)CC1 ZINC000597013667 1036069631 /nfs/dbraw/zinc/06/96/31/1036069631.db2.gz LGTSZNAEQMKPTA-NRFANRHFSA-N 1 1 331.463 4.318 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@@H]1c1cccs1 ZINC000078338181 1036071588 /nfs/dbraw/zinc/07/15/88/1036071588.db2.gz BKDXCVPGLWLSCE-SJKOYZFVSA-N 1 1 346.887 4.163 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC000596993619 1036073150 /nfs/dbraw/zinc/07/31/50/1036073150.db2.gz SEZGCLCNDZYLQC-LJQANCHMSA-N 1 1 332.447 4.240 20 30 EIEDMO COCc1csc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000597028405 1036075422 /nfs/dbraw/zinc/07/54/22/1036075422.db2.gz YCLDEGGYMMTLFR-RTBURBONSA-N 1 1 326.465 4.166 20 30 EIEDMO COCc1csc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000597028405 1036075445 /nfs/dbraw/zinc/07/54/45/1036075445.db2.gz YCLDEGGYMMTLFR-RTBURBONSA-N 1 1 326.465 4.166 20 30 EIEDMO COCc1csc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000597028404 1036076862 /nfs/dbraw/zinc/07/68/62/1036076862.db2.gz YCLDEGGYMMTLFR-RBUKOAKNSA-N 1 1 326.465 4.166 20 30 EIEDMO COCc1csc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000597028404 1036076885 /nfs/dbraw/zinc/07/68/85/1036076885.db2.gz YCLDEGGYMMTLFR-RBUKOAKNSA-N 1 1 326.465 4.166 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000597000428 1036078359 /nfs/dbraw/zinc/07/83/59/1036078359.db2.gz ZRWSDSKPKHNTMZ-OAQYLSRUSA-N 1 1 332.447 4.205 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000513742581 1036083350 /nfs/dbraw/zinc/08/33/50/1036083350.db2.gz YYGVBLGLUKWVHC-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000513742581 1036083374 /nfs/dbraw/zinc/08/33/74/1036083374.db2.gz YYGVBLGLUKWVHC-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO N#CCC1C[NH+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000597192923 1036136348 /nfs/dbraw/zinc/13/63/48/1036136348.db2.gz ASAVFGUUOLYABC-UHFFFAOYSA-N 1 1 331.213 4.055 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000597175084 1036142601 /nfs/dbraw/zinc/14/26/01/1036142601.db2.gz VUPBEHKPQRPELG-CRAIPNDOSA-N 1 1 348.874 4.023 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000597175084 1036142613 /nfs/dbraw/zinc/14/26/13/1036142613.db2.gz VUPBEHKPQRPELG-CRAIPNDOSA-N 1 1 348.874 4.023 20 30 EIEDMO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597175110 1036142669 /nfs/dbraw/zinc/14/26/69/1036142669.db2.gz WQXZZIALAAMCGY-AWEZNQCLSA-N 1 1 336.863 4.263 20 30 EIEDMO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597175110 1036142699 /nfs/dbraw/zinc/14/26/99/1036142699.db2.gz WQXZZIALAAMCGY-AWEZNQCLSA-N 1 1 336.863 4.263 20 30 EIEDMO N#CCC1C[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000597192987 1036144183 /nfs/dbraw/zinc/14/41/83/1036144183.db2.gz BTPCZZSMKGFQRV-UHFFFAOYSA-N 1 1 348.475 4.005 20 30 EIEDMO CC(C)c1nc(CNC(C)(C)c2cccc(C#N)c2)c2ccccn21 ZINC000597184485 1036147152 /nfs/dbraw/zinc/14/71/52/1036147152.db2.gz OECDRLCZPWDJQO-UHFFFAOYSA-N 1 1 332.451 4.354 20 30 EIEDMO CC(C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c2ccccn21 ZINC000597184485 1036147187 /nfs/dbraw/zinc/14/71/87/1036147187.db2.gz OECDRLCZPWDJQO-UHFFFAOYSA-N 1 1 332.451 4.354 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@@H+](CCc2nccs2)C(C)C)c1O ZINC000164609359 1036201528 /nfs/dbraw/zinc/20/15/28/1036201528.db2.gz UEMJOVWCINXVMH-UHFFFAOYSA-N 1 1 346.496 4.039 20 30 EIEDMO CC1CC[NH+]([C@@H](CNCc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000060527694 1036209974 /nfs/dbraw/zinc/20/99/74/1036209974.db2.gz QHGQZUJNKAZTLZ-QFIPXVFZSA-N 1 1 333.479 4.121 20 30 EIEDMO CC1CC[NH+]([C@@H](CNCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000060527685 1036212888 /nfs/dbraw/zinc/21/28/88/1036212888.db2.gz IWBXNKNFAMNPJI-QFIPXVFZSA-N 1 1 333.479 4.121 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000502447138 1036212960 /nfs/dbraw/zinc/21/29/60/1036212960.db2.gz RBMHZUUMVOIMPW-SFHVURJKSA-N 1 1 334.463 4.043 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000502447138 1036212986 /nfs/dbraw/zinc/21/29/86/1036212986.db2.gz RBMHZUUMVOIMPW-SFHVURJKSA-N 1 1 334.463 4.043 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCCC#N)cc2)C1 ZINC000588156520 1036233281 /nfs/dbraw/zinc/23/32/81/1036233281.db2.gz YVVKISXLHLVWNT-QGZVFWFLSA-N 1 1 327.472 4.331 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000602479134 1036462228 /nfs/dbraw/zinc/46/22/28/1036462228.db2.gz FTYKHIWRKGMZGY-NSHDSACASA-N 1 1 327.291 4.415 20 30 EIEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602492278 1036465182 /nfs/dbraw/zinc/46/51/82/1036465182.db2.gz FVKJHVKUBRNHEF-KRWDZBQOSA-N 1 1 327.472 4.106 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000602494477 1036469770 /nfs/dbraw/zinc/46/97/70/1036469770.db2.gz PAEAYHSAJIJQKR-UHFFFAOYSA-N 1 1 325.362 4.180 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540245 1036489904 /nfs/dbraw/zinc/48/99/04/1036489904.db2.gz YAWIOGQOJVJFGR-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540245 1036489924 /nfs/dbraw/zinc/48/99/24/1036489924.db2.gz YAWIOGQOJVJFGR-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000602670807 1036549339 /nfs/dbraw/zinc/54/93/39/1036549339.db2.gz GMQSSHMZVWJMRB-CPUCHLNUSA-N 1 1 340.389 4.407 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000602781081 1036621317 /nfs/dbraw/zinc/62/13/17/1036621317.db2.gz GZGQICQEAYDLPB-FGZHOGPDSA-N 1 1 332.447 4.031 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2nc1C ZINC000056291395 1036628491 /nfs/dbraw/zinc/62/84/91/1036628491.db2.gz KNNBJVFFCDQCAK-UHFFFAOYSA-N 1 1 333.435 4.135 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2nc1C ZINC000056291395 1036628498 /nfs/dbraw/zinc/62/84/98/1036628498.db2.gz KNNBJVFFCDQCAK-UHFFFAOYSA-N 1 1 333.435 4.135 20 30 EIEDMO C[C@@H](CC#N)[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000602860424 1036645605 /nfs/dbraw/zinc/64/56/05/1036645605.db2.gz BNZUMQYKECENHU-NSHDSACASA-N 1 1 330.844 4.108 20 30 EIEDMO Cc1cc(NCc2cccs2)c(C#N)c(NCc2cccs2)[nH+]1 ZINC000589103434 1036656536 /nfs/dbraw/zinc/65/65/36/1036656536.db2.gz YAQNXEAHIRSOFP-UHFFFAOYSA-N 1 1 340.477 4.031 20 30 EIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000589336977 1036739335 /nfs/dbraw/zinc/73/93/35/1036739335.db2.gz PIBPUFATLGATBO-OFNKIYASSA-N 1 1 345.490 4.047 20 30 EIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000589338802 1036740285 /nfs/dbraw/zinc/74/02/85/1036740285.db2.gz FWUNGOKOQJCNBP-PKTZIBPZSA-N 1 1 345.490 4.362 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000165298811 1036756150 /nfs/dbraw/zinc/75/61/50/1036756150.db2.gz AUJFPJGRGBCERP-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502908116 1036777763 /nfs/dbraw/zinc/77/77/63/1036777763.db2.gz YYJUNSVDWDCNKU-QGZVFWFLSA-N 1 1 335.451 4.188 20 30 EIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@]3(C#N)CC4CCC3CC4)cc2)c1C ZINC000908322631 1036829757 /nfs/dbraw/zinc/82/97/57/1036829757.db2.gz ITSMTXJRHWKFLZ-BPZDKFOGSA-N 1 1 348.450 4.148 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2cc(F)ccc2O1 ZINC000593674604 1036874361 /nfs/dbraw/zinc/87/43/61/1036874361.db2.gz ZKMSFNKIYFLYFS-QGZVFWFLSA-N 1 1 328.362 4.228 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371189 1036972398 /nfs/dbraw/zinc/97/23/98/1036972398.db2.gz NESUJCYXJNVACO-LEWJYISDSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1C#N ZINC000599396545 1036979662 /nfs/dbraw/zinc/97/96/62/1036979662.db2.gz PNKCVEAXDGCIPY-JTQLQIEISA-N 1 1 325.359 4.193 20 30 EIEDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000603900924 1037082068 /nfs/dbraw/zinc/08/20/68/1037082068.db2.gz GYKUBTBEPZMECE-CQSZACIVSA-N 1 1 347.528 4.051 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677564 1037115517 /nfs/dbraw/zinc/11/55/17/1037115517.db2.gz MJSIZIIFDLKXCL-UHFFFAOYSA-N 1 1 329.447 4.112 20 30 EIEDMO C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646853 1037130156 /nfs/dbraw/zinc/13/01/56/1037130156.db2.gz LWZIPIJRBLLTMB-RBUKOAKNSA-N 1 1 347.506 4.304 20 30 EIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000590646851 1037131531 /nfs/dbraw/zinc/13/15/31/1037131531.db2.gz LWZIPIJRBLLTMB-MOPGFXCFSA-N 1 1 347.506 4.304 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000590750793 1037154119 /nfs/dbraw/zinc/15/41/19/1037154119.db2.gz ZIXULNSQSASVHT-XUVXKRRUSA-N 1 1 326.484 4.003 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000488182089 1037399693 /nfs/dbraw/zinc/39/96/93/1037399693.db2.gz LHHMPSPNYMOFEZ-KRWDZBQOSA-N 1 1 335.451 4.106 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521484 1037400521 /nfs/dbraw/zinc/40/05/21/1037400521.db2.gz MKFJUBSZVOMJQN-NQIIRXRSSA-N 1 1 338.426 4.297 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)o1 ZINC000503293548 1037683803 /nfs/dbraw/zinc/68/38/03/1037683803.db2.gz XYBZQZSVIDKWFV-LJQANCHMSA-N 1 1 337.810 4.273 20 30 EIEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154024 1037739231 /nfs/dbraw/zinc/73/92/31/1037739231.db2.gz IIVLOKCLRCJOER-FQEVSTJZSA-N 1 1 327.516 4.301 20 30 EIEDMO Cc1[nH+]ccn1CCCCSc1nc(C(F)(F)F)ccc1C#N ZINC000488786955 1037758144 /nfs/dbraw/zinc/75/81/44/1037758144.db2.gz PZFAVASPROIYLM-UHFFFAOYSA-N 1 1 340.374 4.050 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000249390472 1037793493 /nfs/dbraw/zinc/79/34/93/1037793493.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000249390472 1037793511 /nfs/dbraw/zinc/79/35/11/1037793511.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249390472 1037793528 /nfs/dbraw/zinc/79/35/28/1037793528.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249390472 1037793544 /nfs/dbraw/zinc/79/35/44/1037793544.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085933 1037862755 /nfs/dbraw/zinc/86/27/55/1037862755.db2.gz ANZHPVOAYAWWOX-HNNXBMFYSA-N 1 1 328.419 4.285 20 30 EIEDMO Cc1ccccc1C1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CCC1 ZINC000593040750 1037906121 /nfs/dbraw/zinc/90/61/21/1037906121.db2.gz UDJKNLQAJINCJT-UHFFFAOYSA-N 1 1 344.418 4.086 20 30 EIEDMO C=CCn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1-c1cccs1 ZINC000489403028 1038022847 /nfs/dbraw/zinc/02/28/47/1038022847.db2.gz YHMQKDJTNMOHIS-CQSZACIVSA-N 1 1 348.541 4.159 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000489434250 1038045514 /nfs/dbraw/zinc/04/55/14/1038045514.db2.gz UZCGSUNKLIBFLM-MRXNPFEDSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000489434250 1038045532 /nfs/dbraw/zinc/04/55/32/1038045532.db2.gz UZCGSUNKLIBFLM-MRXNPFEDSA-N 1 1 344.480 4.368 20 30 EIEDMO CC(C)[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CC=CC2 ZINC000592526059 1038145452 /nfs/dbraw/zinc/14/54/52/1038145452.db2.gz GPUIPUDUYHXQHN-OAQYLSRUSA-N 1 1 346.478 4.135 20 30 EIEDMO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000489630807 1038177782 /nfs/dbraw/zinc/17/77/82/1038177782.db2.gz BAKFYLRGPJMAPO-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000489630807 1038177803 /nfs/dbraw/zinc/17/78/03/1038177803.db2.gz BAKFYLRGPJMAPO-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4)s3)CCC2)cc1 ZINC000594033645 1038246442 /nfs/dbraw/zinc/24/64/42/1038246442.db2.gz WQMRZJANAGVIAS-UHFFFAOYSA-N 1 1 346.459 4.246 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Cl ZINC000008173182 1038267703 /nfs/dbraw/zinc/26/77/03/1038267703.db2.gz FCDBQQKHDSQXMV-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528380 1038289272 /nfs/dbraw/zinc/28/92/72/1038289272.db2.gz JGJFXTYWXFEQIR-INIZCTEOSA-N 1 1 335.451 4.141 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528380 1038289284 /nfs/dbraw/zinc/28/92/84/1038289284.db2.gz JGJFXTYWXFEQIR-INIZCTEOSA-N 1 1 335.451 4.141 20 30 EIEDMO C=CC[N@H+](CCCOCC)Cc1cc(Br)ccc1F ZINC000607728482 1038303031 /nfs/dbraw/zinc/30/30/31/1038303031.db2.gz PYPKODKKIYYEFL-UHFFFAOYSA-N 1 1 330.241 4.003 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000490071048 1038332769 /nfs/dbraw/zinc/33/27/69/1038332769.db2.gz HQTBYLHIUVISQM-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000490071048 1038332776 /nfs/dbraw/zinc/33/27/76/1038332776.db2.gz HQTBYLHIUVISQM-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO CC(C)(C#N)c1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000594497590 1038346929 /nfs/dbraw/zinc/34/69/29/1038346929.db2.gz IDZSERQWLJHREQ-UHFFFAOYSA-N 1 1 339.527 4.374 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C2(C)CCCC2)ccc1Cl ZINC000490203616 1038374333 /nfs/dbraw/zinc/37/43/33/1038374333.db2.gz PAIUUMBOLOXVTA-UHFFFAOYSA-N 1 1 347.890 4.160 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCc3sccc3C2)c1O ZINC000059333631 1038407227 /nfs/dbraw/zinc/40/72/27/1038407227.db2.gz HVSWYKPIGSAXTO-UHFFFAOYSA-N 1 1 329.465 4.139 20 30 EIEDMO COc1ccc(C[N@@H+](CC2CC2)CC(C)(C)CCC#N)c(OC)c1 ZINC000504555260 1038407909 /nfs/dbraw/zinc/40/79/09/1038407909.db2.gz OMIRSBZNSXDKSS-UHFFFAOYSA-N 1 1 330.472 4.246 20 30 EIEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3C(F)(F)F)c2C[C@@H]1C ZINC000594900229 1038414512 /nfs/dbraw/zinc/41/45/12/1038414512.db2.gz RGADHASPUMYUSC-RYUDHWBXSA-N 1 1 333.357 4.193 20 30 EIEDMO N#CC1(c2ccc(C[NH2+][C@H](CN3CCCC3)c3ccccc3)cc2)CC1 ZINC000594914146 1038425059 /nfs/dbraw/zinc/42/50/59/1038425059.db2.gz DMTDHUXSSOHRAW-JOCHJYFZSA-N 1 1 345.490 4.168 20 30 EIEDMO N#CC1(c2ccc(C[NH2+][C@@H](CN3CCCC3)c3ccccc3)cc2)CC1 ZINC000594914147 1038427645 /nfs/dbraw/zinc/42/76/45/1038427645.db2.gz DMTDHUXSSOHRAW-QFIPXVFZSA-N 1 1 345.490 4.168 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1C ZINC000063619353 1038661309 /nfs/dbraw/zinc/66/13/09/1038661309.db2.gz CWNLOYVQPLMWCR-KRWDZBQOSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1C ZINC000063619353 1038661317 /nfs/dbraw/zinc/66/13/17/1038661317.db2.gz CWNLOYVQPLMWCR-KRWDZBQOSA-N 1 1 339.464 4.012 20 30 EIEDMO COc1ccc(OCCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750946 1038814654 /nfs/dbraw/zinc/81/46/54/1038814654.db2.gz WGRNBFFDRGVPGF-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000072923996 1038845713 /nfs/dbraw/zinc/84/57/13/1038845713.db2.gz LCPBFJADKXNDKY-UHFFFAOYSA-N 1 1 325.359 4.058 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000480880171 1038857049 /nfs/dbraw/zinc/85/70/49/1038857049.db2.gz IUZVJUUREAZKBC-IBGZPJMESA-N 1 1 325.843 4.288 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000480880171 1038857052 /nfs/dbraw/zinc/85/70/52/1038857052.db2.gz IUZVJUUREAZKBC-IBGZPJMESA-N 1 1 325.843 4.288 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505052891 1038953451 /nfs/dbraw/zinc/95/34/51/1038953451.db2.gz ZNZZWYXTEQAUIO-HXUWFJFHSA-N 1 1 349.478 4.201 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424689657 1039014260 /nfs/dbraw/zinc/01/42/60/1039014260.db2.gz XGKXTSUHQTUYCX-HKUYNNGSSA-N 1 1 328.500 4.100 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)C[C@@H](C)C#N ZINC000120010710 1039026839 /nfs/dbraw/zinc/02/68/39/1039026839.db2.gz ICTUJMTVGWFEAN-HNNXBMFYSA-N 1 1 344.480 4.317 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)C[C@@H](C)C#N ZINC000120010710 1039026857 /nfs/dbraw/zinc/02/68/57/1039026857.db2.gz ICTUJMTVGWFEAN-HNNXBMFYSA-N 1 1 344.480 4.317 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(-c2ccccn2)s1 ZINC000119949172 1039030957 /nfs/dbraw/zinc/03/09/57/1039030957.db2.gz QXMUMKRRZKXUFG-UHFFFAOYSA-N 1 1 327.478 4.455 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(-c2ccccn2)s1 ZINC000119949172 1039030984 /nfs/dbraw/zinc/03/09/84/1039030984.db2.gz QXMUMKRRZKXUFG-UHFFFAOYSA-N 1 1 327.478 4.455 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424740407 1039048128 /nfs/dbraw/zinc/04/81/28/1039048128.db2.gz RFWULDNYJDVPRC-PMACEKPBSA-N 1 1 340.511 4.102 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000481267636 1039198531 /nfs/dbraw/zinc/19/85/31/1039198531.db2.gz HCGAWXZGRUBPTO-MRXNPFEDSA-N 1 1 341.282 4.165 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000121124141 1039313467 /nfs/dbraw/zinc/31/34/67/1039313467.db2.gz DZTDNJIXUWFDHM-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000122022577 1039533497 /nfs/dbraw/zinc/53/34/97/1039533497.db2.gz BOLFOSAKPTXBNB-UHFFFAOYSA-N 1 1 346.902 4.143 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000122022577 1039533522 /nfs/dbraw/zinc/53/35/22/1039533522.db2.gz BOLFOSAKPTXBNB-UHFFFAOYSA-N 1 1 346.902 4.143 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc(F)c1F ZINC001143610270 1039548238 /nfs/dbraw/zinc/54/82/38/1039548238.db2.gz VBAVQTOYKQTMKK-GOSISDBHSA-N 1 1 342.389 4.188 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccco1 ZINC000514089967 1039592103 /nfs/dbraw/zinc/59/21/03/1039592103.db2.gz RVSLLUGHWQYYGO-YOEHRIQHSA-N 1 1 327.424 4.409 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(F)c(F)c1 ZINC000481589711 1039595696 /nfs/dbraw/zinc/59/56/96/1039595696.db2.gz BBUXQZWWCFAUEM-HXUWFJFHSA-N 1 1 348.437 4.178 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000534915388 1039842453 /nfs/dbraw/zinc/84/24/53/1039842453.db2.gz MWYJNQGOHVHOFT-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000478694078 1039863797 /nfs/dbraw/zinc/86/37/97/1039863797.db2.gz QCFASGUSQNOVGH-GOSISDBHSA-N 1 1 340.511 4.281 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)ccc1OC ZINC000556045227 1039886250 /nfs/dbraw/zinc/88/62/50/1039886250.db2.gz JENXYJPIMGCNFF-OAHLLOKOSA-N 1 1 343.389 4.424 20 30 EIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281923368 1039888292 /nfs/dbraw/zinc/88/82/92/1039888292.db2.gz HIXILQNMDQOUEE-INIZCTEOSA-N 1 1 334.891 4.303 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2cccc(OC)c2)ccc1OC ZINC000505636402 1040202778 /nfs/dbraw/zinc/20/27/78/1040202778.db2.gz QKETUOCBSZXXSK-UHFFFAOYSA-N 1 1 341.451 4.291 20 30 EIEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000435269953 1040237800 /nfs/dbraw/zinc/23/78/00/1040237800.db2.gz JOJOQJACOFKBGS-HXUWFJFHSA-N 1 1 336.414 4.174 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509934 1040314180 /nfs/dbraw/zinc/31/41/80/1040314180.db2.gz DLPDNACMGYNTSN-RBBKRZOGSA-N 1 1 348.490 4.127 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc(C)n2C)C(C)(C)C)cc1 ZINC000667485143 1040329750 /nfs/dbraw/zinc/32/97/50/1040329750.db2.gz IGLTYAPQDXXXRE-UHFFFAOYSA-N 1 1 327.472 4.094 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364073 1040335380 /nfs/dbraw/zinc/33/53/80/1040335380.db2.gz DUDAXSUNJYEDRQ-HNNXBMFYSA-N 1 1 336.435 4.194 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619970 1040387445 /nfs/dbraw/zinc/38/74/45/1040387445.db2.gz NPCRRKXAEPHYHI-FQEVSTJZSA-N 1 1 328.500 4.147 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653106 1040414502 /nfs/dbraw/zinc/41/45/02/1040414502.db2.gz WQSWSCGREKXTPT-INIZCTEOSA-N 1 1 342.483 4.441 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000479555102 1040465665 /nfs/dbraw/zinc/46/56/65/1040465665.db2.gz MYBDUPJDCGNMRE-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OCc2ccncc2)cc1 ZINC000491258532 1040469224 /nfs/dbraw/zinc/46/92/24/1040469224.db2.gz FAZVWOSBRLADSS-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO C=CC[N@@H+](CCc1ccccn1)Cc1cc(Br)ccc1F ZINC000479579808 1040488939 /nfs/dbraw/zinc/48/89/39/1040488939.db2.gz PIDIUHQXLJUQGM-UHFFFAOYSA-N 1 1 349.247 4.214 20 30 EIEDMO C=CC[N@H+](CCc1ccccn1)Cc1cc(Br)ccc1F ZINC000479579808 1040488947 /nfs/dbraw/zinc/48/89/47/1040488947.db2.gz PIDIUHQXLJUQGM-UHFFFAOYSA-N 1 1 349.247 4.214 20 30 EIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cccc(F)c1 ZINC000160458086 1040536377 /nfs/dbraw/zinc/53/63/77/1040536377.db2.gz PIHRDYXYVPANJB-UHFFFAOYSA-N 1 1 348.425 4.235 20 30 EIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000539569785 1040566966 /nfs/dbraw/zinc/56/69/66/1040566966.db2.gz KGDPAEQDRCVIIM-NTZUZEMLSA-N 1 1 347.547 4.110 20 30 EIEDMO C=CCC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000435750217 1040584935 /nfs/dbraw/zinc/58/49/35/1040584935.db2.gz BKNLZWKVIHYDAZ-SFHVURJKSA-N 1 1 325.456 4.220 20 30 EIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988196 1040701153 /nfs/dbraw/zinc/70/11/53/1040701153.db2.gz YOGOPEPVIUPIBV-YOEHRIQHSA-N 1 1 338.455 4.255 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ccccc2)cc1 ZINC000483160488 1040729139 /nfs/dbraw/zinc/72/91/39/1040729139.db2.gz ROQWPABPVRNOPA-UHFFFAOYSA-N 1 1 345.446 4.108 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000483142905 1040733508 /nfs/dbraw/zinc/73/35/08/1040733508.db2.gz JRMWDRNAYHLTLG-UHFFFAOYSA-N 1 1 336.483 4.210 20 30 EIEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000483173395 1040745738 /nfs/dbraw/zinc/74/57/38/1040745738.db2.gz NRLRBOFFTVVWJW-UHFFFAOYSA-N 1 1 346.272 4.070 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000539851468 1040840168 /nfs/dbraw/zinc/84/01/68/1040840168.db2.gz WGXLUWDRFZEFAF-VQIMIIECSA-N 1 1 333.497 4.120 20 30 EIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000539887429 1040868629 /nfs/dbraw/zinc/86/86/29/1040868629.db2.gz PFNRDYVZSHLFRN-GOSISDBHSA-N 1 1 348.368 4.415 20 30 EIEDMO N#CC(CC[N@@H+]1CCO[C@@H]2CCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000436114857 1040884887 /nfs/dbraw/zinc/88/48/87/1040884887.db2.gz MMVWTSNKWFSTRT-FGZHOGPDSA-N 1 1 346.474 4.140 20 30 EIEDMO N#CC(CC[N@H+]1CCO[C@@H]2CCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000436114857 1040884891 /nfs/dbraw/zinc/88/48/91/1040884891.db2.gz MMVWTSNKWFSTRT-FGZHOGPDSA-N 1 1 346.474 4.140 20 30 EIEDMO Cc1nsc(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000515657512 1040930669 /nfs/dbraw/zinc/93/06/69/1040930669.db2.gz WMIJFKDRYHNALF-RHSMWYFYSA-N 1 1 340.496 4.036 20 30 EIEDMO Cc1nsc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000515657514 1040932275 /nfs/dbraw/zinc/93/22/75/1040932275.db2.gz WMIJFKDRYHNALF-YOEHRIQHSA-N 1 1 340.496 4.036 20 30 EIEDMO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000483880009 1041058108 /nfs/dbraw/zinc/05/81/08/1041058108.db2.gz AHTFDTJCQVULDW-IBGZPJMESA-N 1 1 349.563 4.276 20 30 EIEDMO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000462908622 1041090583 /nfs/dbraw/zinc/09/05/83/1041090583.db2.gz BZGGYVARPUZLAZ-FQEVSTJZSA-N 1 1 341.405 4.110 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741378 1041122496 /nfs/dbraw/zinc/12/24/96/1041122496.db2.gz JKNMXKPKETXPPN-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741378 1041122518 /nfs/dbraw/zinc/12/25/18/1041122518.db2.gz JKNMXKPKETXPPN-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741929 1041124596 /nfs/dbraw/zinc/12/45/96/1041124596.db2.gz DMJCLKCTIFLPKF-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741929 1041124604 /nfs/dbraw/zinc/12/46/04/1041124604.db2.gz DMJCLKCTIFLPKF-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000425533441 1041181991 /nfs/dbraw/zinc/18/19/91/1041181991.db2.gz DREFMQAAFFCHKP-INIZCTEOSA-N 1 1 349.478 4.487 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000425533441 1041182000 /nfs/dbraw/zinc/18/20/00/1041182000.db2.gz DREFMQAAFFCHKP-INIZCTEOSA-N 1 1 349.478 4.487 20 30 EIEDMO CC(C)Oc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(C(F)(F)F)c1 ZINC000554552369 1041228483 /nfs/dbraw/zinc/22/84/83/1041228483.db2.gz VVLPTFFYAZLOCL-CYBMUJFWSA-N 1 1 339.361 4.026 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001167960842 1041260885 /nfs/dbraw/zinc/26/08/85/1041260885.db2.gz XJKUBLGLNUALIC-UHFFFAOYSA-N 1 1 344.414 4.385 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001167960842 1041260901 /nfs/dbraw/zinc/26/09/01/1041260901.db2.gz XJKUBLGLNUALIC-UHFFFAOYSA-N 1 1 344.414 4.385 20 30 EIEDMO COCCCCc1ccc[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000461211857 1041291018 /nfs/dbraw/zinc/29/10/18/1041291018.db2.gz IQTLFJORUXZYIU-UHFFFAOYSA-N 1 1 347.821 4.327 20 30 EIEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768141 1041346111 /nfs/dbraw/zinc/34/61/11/1041346111.db2.gz ZCNNINGUWNYBOD-LJQANCHMSA-N 1 1 346.434 4.061 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480549270 1041379324 /nfs/dbraw/zinc/37/93/24/1041379324.db2.gz HQQCSHBJHXQDEN-HNNXBMFYSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480549270 1041379335 /nfs/dbraw/zinc/37/93/35/1041379335.db2.gz HQQCSHBJHXQDEN-HNNXBMFYSA-N 1 1 326.827 4.210 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)CC1CCCCC1 ZINC000484666314 1041386245 /nfs/dbraw/zinc/38/62/45/1041386245.db2.gz AEDSKNMZOXZNLH-UHFFFAOYSA-N 1 1 330.472 4.092 20 30 EIEDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000366647489 1041390807 /nfs/dbraw/zinc/39/08/07/1041390807.db2.gz YFPYVCSBVJDABW-RLAPIPATSA-N 1 1 332.447 4.103 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000463214926 1041425996 /nfs/dbraw/zinc/42/59/96/1041425996.db2.gz NFAHHUVNORPVDS-YSIASYRMSA-N 1 1 331.887 4.097 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201569 1041427948 /nfs/dbraw/zinc/42/79/48/1041427948.db2.gz MACQGMYIZCHNAN-YGBSJELFSA-N 1 1 346.902 4.363 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC000540412609 1041440775 /nfs/dbraw/zinc/44/07/75/1041440775.db2.gz QKDIAXBVZKBXJZ-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243825 1041451706 /nfs/dbraw/zinc/45/17/06/1041451706.db2.gz UMSBRPGUYCNXNZ-CMKODMSKSA-N 1 1 325.500 4.322 20 30 EIEDMO Cc1cc(F)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000538738330 1041511292 /nfs/dbraw/zinc/51/12/92/1041511292.db2.gz OAKAZMSRNNLDAG-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1cc(F)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000538738330 1041511298 /nfs/dbraw/zinc/51/12/98/1041511298.db2.gz OAKAZMSRNNLDAG-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000540593927 1041550992 /nfs/dbraw/zinc/55/09/92/1041550992.db2.gz WJYSGCPGBHGBNL-QRVBRYPASA-N 1 1 347.506 4.365 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463448231 1041571624 /nfs/dbraw/zinc/57/16/24/1041571624.db2.gz KHQZAGILZURSKV-CABCVRRESA-N 1 1 332.410 4.140 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1Cl ZINC000540768574 1041657870 /nfs/dbraw/zinc/65/78/70/1041657870.db2.gz RUSRLVBWEHGVRV-GOSISDBHSA-N 1 1 335.875 4.296 20 30 EIEDMO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437159989 1041685702 /nfs/dbraw/zinc/68/57/02/1041685702.db2.gz JJRAXACTLAYEPK-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437159989 1041685705 /nfs/dbraw/zinc/68/57/05/1041685705.db2.gz JJRAXACTLAYEPK-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO N#Cc1c(Cl)cccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000506034925 1041768735 /nfs/dbraw/zinc/76/87/35/1041768735.db2.gz BWGOESADCUIKKT-UHFFFAOYSA-N 1 1 325.843 4.072 20 30 EIEDMO CCCC[C@H](CC)CN1CCO[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183630 1041775055 /nfs/dbraw/zinc/77/50/55/1041775055.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@H](CC)C[N@@H+]1CCO[C@@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183630 1041775060 /nfs/dbraw/zinc/77/50/60/1041775060.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCO[C@@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183630 1041775062 /nfs/dbraw/zinc/77/50/62/1041775062.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 1 1 349.563 4.063 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425386 1041797889 /nfs/dbraw/zinc/79/78/89/1041797889.db2.gz GRKBMZFRXNMDGJ-INIZCTEOSA-N 1 1 328.362 4.149 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc(C)cn2)C(C)(C)C)cc1 ZINC000506050506 1041805659 /nfs/dbraw/zinc/80/56/59/1041805659.db2.gz BVKJSNIJXGLFTF-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO N#Cc1csc(C[N@H+](CCc2ccccc2)Cc2ccccc2)n1 ZINC000516941475 1041819114 /nfs/dbraw/zinc/81/91/14/1041819114.db2.gz NADJWMXILULMSX-UHFFFAOYSA-N 1 1 333.460 4.260 20 30 EIEDMO N#Cc1csc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)n1 ZINC000516941475 1041819120 /nfs/dbraw/zinc/81/91/20/1041819120.db2.gz NADJWMXILULMSX-UHFFFAOYSA-N 1 1 333.460 4.260 20 30 EIEDMO CCC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C#N)cc1 ZINC000437594807 1041846907 /nfs/dbraw/zinc/84/69/07/1041846907.db2.gz WYXFGWIDTSEJGR-UHFFFAOYSA-N 1 1 336.464 4.422 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)C)cc1 ZINC000517168169 1041887269 /nfs/dbraw/zinc/88/72/69/1041887269.db2.gz PUZFXRHVNFMOBW-UHFFFAOYSA-N 1 1 335.451 4.319 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(Cl)s2)cc(OC)c1O ZINC000506123741 1041895229 /nfs/dbraw/zinc/89/52/29/1041895229.db2.gz CMABXNXDKIKWRG-UHFFFAOYSA-N 1 1 337.872 4.476 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)cc(OC)c1O ZINC000506123741 1041895231 /nfs/dbraw/zinc/89/52/31/1041895231.db2.gz CMABXNXDKIKWRG-UHFFFAOYSA-N 1 1 337.872 4.476 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(CC#N)cc1 ZINC000541349690 1041899613 /nfs/dbraw/zinc/89/96/13/1041899613.db2.gz GBIGWLGLLDUGQP-UHFFFAOYSA-N 1 1 344.462 4.207 20 30 EIEDMO C[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000506129595 1041908257 /nfs/dbraw/zinc/90/82/57/1041908257.db2.gz AMSIENDMAJTIPD-UHFFFAOYSA-N 1 1 335.234 4.376 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000517572641 1042078833 /nfs/dbraw/zinc/07/88/33/1042078833.db2.gz PKDRIACSQZFUQL-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000517572641 1042078841 /nfs/dbraw/zinc/07/88/41/1042078841.db2.gz PKDRIACSQZFUQL-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464655556 1042107650 /nfs/dbraw/zinc/10/76/50/1042107650.db2.gz IEGHABYLKGLDBC-CMKODMSKSA-N 1 1 328.500 4.273 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464655555 1042107995 /nfs/dbraw/zinc/10/79/95/1042107995.db2.gz IEGHABYLKGLDBC-BJLQDIEVSA-N 1 1 328.500 4.273 20 30 EIEDMO CC1(C)CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438375251 1042161275 /nfs/dbraw/zinc/16/12/75/1042161275.db2.gz QJYGCEJLOCGOHN-UHFFFAOYSA-N 1 1 336.483 4.476 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000464818144 1042176310 /nfs/dbraw/zinc/17/63/10/1042176310.db2.gz KELOSUBCMFMBLB-PKTZIBPZSA-N 1 1 348.490 4.408 20 30 EIEDMO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517908816 1042267330 /nfs/dbraw/zinc/26/73/30/1042267330.db2.gz MAMXKCRQPRHLFW-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO CC(C)(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000438727478 1042321783 /nfs/dbraw/zinc/32/17/83/1042321783.db2.gz RZGQYMHEPHPPLX-IBGZPJMESA-N 1 1 346.434 4.485 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000542211915 1042338649 /nfs/dbraw/zinc/33/86/49/1042338649.db2.gz XMNZCLVFWUELKZ-KRWDZBQOSA-N 1 1 326.827 4.059 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000426145375 1042342605 /nfs/dbraw/zinc/34/26/05/1042342605.db2.gz ZUWSOGOPNBQJFG-LBPRGKRZSA-N 1 1 329.271 4.069 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1Cl ZINC000506381073 1042370343 /nfs/dbraw/zinc/37/03/43/1042370343.db2.gz NNIPHKVXXGKHFS-UHFFFAOYSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1Cl ZINC000506381073 1042370350 /nfs/dbraw/zinc/37/03/50/1042370350.db2.gz NNIPHKVXXGKHFS-UHFFFAOYSA-N 1 1 336.907 4.209 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(C#N)cc1 ZINC000386753917 1042416190 /nfs/dbraw/zinc/41/61/90/1042416190.db2.gz DYMZLJIWDROLFD-GFCCVEGCSA-N 1 1 340.224 4.043 20 30 EIEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCCSCC#N ZINC000173874382 1042621488 /nfs/dbraw/zinc/62/14/88/1042621488.db2.gz AHKSCTPFFKQFQD-LBPRGKRZSA-N 1 1 327.291 4.089 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439455060 1042638795 /nfs/dbraw/zinc/63/87/95/1042638795.db2.gz TXHVJCWISALJEA-CQSZACIVSA-N 1 1 345.899 4.152 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(Br)c(F)c1 ZINC000426404561 1042669622 /nfs/dbraw/zinc/66/96/22/1042669622.db2.gz NYGNVJRTDYFBDG-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(Br)c(F)c1 ZINC000426404561 1042669636 /nfs/dbraw/zinc/66/96/36/1042669636.db2.gz NYGNVJRTDYFBDG-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002745 1042741390 /nfs/dbraw/zinc/74/13/90/1042741390.db2.gz PZRKRFXCJMPHKQ-XMSQKQJNSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002745 1042741397 /nfs/dbraw/zinc/74/13/97/1042741397.db2.gz PZRKRFXCJMPHKQ-XMSQKQJNSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002742 1042744316 /nfs/dbraw/zinc/74/43/16/1042744316.db2.gz PZRKRFXCJMPHKQ-AVRDEDQJSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002742 1042744322 /nfs/dbraw/zinc/74/43/22/1042744322.db2.gz PZRKRFXCJMPHKQ-AVRDEDQJSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002742 1042744328 /nfs/dbraw/zinc/74/43/28/1042744328.db2.gz PZRKRFXCJMPHKQ-AVRDEDQJSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002742 1042744336 /nfs/dbraw/zinc/74/43/36/1042744336.db2.gz PZRKRFXCJMPHKQ-AVRDEDQJSA-N 1 1 333.479 4.009 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000057389065 1042850078 /nfs/dbraw/zinc/85/00/78/1042850078.db2.gz HEPCKTCVICQJEV-KRWDZBQOSA-N 1 1 339.483 4.331 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000057389064 1042850521 /nfs/dbraw/zinc/85/05/21/1042850521.db2.gz HEPCKTCVICQJEV-QGZVFWFLSA-N 1 1 339.483 4.331 20 30 EIEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000487397847 1043024325 /nfs/dbraw/zinc/02/43/25/1043024325.db2.gz JAABBSOXTVYJFV-UHFFFAOYSA-N 1 1 330.472 4.041 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399100 1043044374 /nfs/dbraw/zinc/04/43/74/1043044374.db2.gz QZBADZFDRQVDQD-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399100 1043044382 /nfs/dbraw/zinc/04/43/82/1043044382.db2.gz QZBADZFDRQVDQD-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO CC1CCC([N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)CC1 ZINC000075641499 1043073673 /nfs/dbraw/zinc/07/36/73/1043073673.db2.gz IPMQIAVOOFNPKF-UHFFFAOYSA-N 1 1 336.439 4.151 20 30 EIEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1F ZINC000064350152 1043099310 /nfs/dbraw/zinc/09/93/10/1043099310.db2.gz UVABTGLONNBBHM-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1F ZINC000064350152 1043099327 /nfs/dbraw/zinc/09/93/27/1043099327.db2.gz UVABTGLONNBBHM-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO Fc1cc(C=[NH+]Nc2cccc3ccccc32)ccc1N1CCOCC1 ZINC000727257465 1043175792 /nfs/dbraw/zinc/17/57/92/1043175792.db2.gz OISLFUQFUKCIFV-UHFFFAOYSA-N 1 1 349.409 4.262 20 30 EIEDMO C=CC[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772514 1043194652 /nfs/dbraw/zinc/19/46/52/1043194652.db2.gz VJNAABVSXBYDPI-NYVOZVTQSA-N 1 1 348.490 4.126 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000049392363 1043246437 /nfs/dbraw/zinc/24/64/37/1043246437.db2.gz LNMSYBGTBVQYRW-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000049392363 1043246450 /nfs/dbraw/zinc/24/64/50/1043246450.db2.gz LNMSYBGTBVQYRW-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1C ZINC000674050304 1043353153 /nfs/dbraw/zinc/35/31/53/1043353153.db2.gz LXUFEWOFHQASIU-FQEVSTJZSA-N 1 1 338.451 4.016 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1C ZINC000674050304 1043353163 /nfs/dbraw/zinc/35/31/63/1043353163.db2.gz LXUFEWOFHQASIU-FQEVSTJZSA-N 1 1 338.451 4.016 20 30 EIEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000625701125 1043357861 /nfs/dbraw/zinc/35/78/61/1043357861.db2.gz ORAJHGXGZDVCEP-NSHDSACASA-N 1 1 346.780 4.195 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000625700493 1043358647 /nfs/dbraw/zinc/35/86/47/1043358647.db2.gz ITUCTBXCJBPHFW-NSHDSACASA-N 1 1 338.238 4.441 20 30 EIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000494234247 1043377731 /nfs/dbraw/zinc/37/77/31/1043377731.db2.gz OFQWSSFTPCTDLB-VBKFSLOCSA-N 1 1 344.418 4.144 20 30 EIEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000494234247 1043377741 /nfs/dbraw/zinc/37/77/41/1043377741.db2.gz OFQWSSFTPCTDLB-VBKFSLOCSA-N 1 1 344.418 4.144 20 30 EIEDMO CCCCCCCC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000730084659 1043440619 /nfs/dbraw/zinc/44/06/19/1043440619.db2.gz IFHXGCAWEJACJS-QGZVFWFLSA-N 1 1 332.488 4.379 20 30 EIEDMO C[C@@H]1Cc2cc(-c3ccc(C[NH2+]C[C@H](C#N)CCC#N)cc3)ccc2O1 ZINC000521280286 1043680044 /nfs/dbraw/zinc/68/00/44/1043680044.db2.gz UFJVLBRKUXSGHA-AEFFLSMTSA-N 1 1 345.446 4.210 20 30 EIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211438 1043715334 /nfs/dbraw/zinc/71/53/34/1043715334.db2.gz JSRNNIJZQKXOAX-UHFFFAOYSA-N 1 1 344.842 4.143 20 30 EIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000039292847 1043748067 /nfs/dbraw/zinc/74/80/67/1043748067.db2.gz UDTUYYWLDAEMHO-OKILXGFUSA-N 1 1 345.512 4.090 20 30 EIEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000191105906 1043781113 /nfs/dbraw/zinc/78/11/13/1043781113.db2.gz DVIJXAAKGNOQFS-UHFFFAOYSA-N 1 1 340.511 4.103 20 30 EIEDMO CCCCCCCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000731804660 1043825294 /nfs/dbraw/zinc/82/52/94/1043825294.db2.gz HEQITOBNQPLUQI-UHFFFAOYSA-N 1 1 343.471 4.082 20 30 EIEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731848452 1043834251 /nfs/dbraw/zinc/83/42/51/1043834251.db2.gz YGMIZYTUZLYCOI-UHFFFAOYSA-N 1 1 336.435 4.239 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)ccc1C#N ZINC000442883219 1043881489 /nfs/dbraw/zinc/88/14/89/1043881489.db2.gz GWOWCCQQCATAQI-KRWDZBQOSA-N 1 1 338.476 4.181 20 30 EIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cn2ccccc2c1C#N ZINC000442887816 1043884031 /nfs/dbraw/zinc/88/40/31/1043884031.db2.gz ZBGBBYDUKLRKRU-UHFFFAOYSA-N 1 1 328.419 4.314 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000732204675 1043887594 /nfs/dbraw/zinc/88/75/94/1043887594.db2.gz AGDLLXQWABEUSC-OAHLLOKOSA-N 1 1 328.378 4.001 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000732204675 1043887597 /nfs/dbraw/zinc/88/75/97/1043887597.db2.gz AGDLLXQWABEUSC-OAHLLOKOSA-N 1 1 328.378 4.001 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521814220 1043991104 /nfs/dbraw/zinc/99/11/04/1043991104.db2.gz OMNMDLUMZYRQEA-CQSZACIVSA-N 1 1 342.405 4.123 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521814220 1043991123 /nfs/dbraw/zinc/99/11/23/1043991123.db2.gz OMNMDLUMZYRQEA-CQSZACIVSA-N 1 1 342.405 4.123 20 30 EIEDMO Cc1c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cccc1[N+](=O)[O-] ZINC000521821597 1044010518 /nfs/dbraw/zinc/01/05/18/1044010518.db2.gz LKMBDGKOAAAJOE-UHFFFAOYSA-N 1 1 337.423 4.433 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1)C(C)C ZINC000195331818 1044058797 /nfs/dbraw/zinc/05/87/97/1044058797.db2.gz FKHWSTJSDHWJTP-UHFFFAOYSA-N 1 1 335.451 4.087 20 30 EIEDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)cs1 ZINC000390716225 1044059163 /nfs/dbraw/zinc/05/91/63/1044059163.db2.gz YGUOJODGCRRVJZ-LJQANCHMSA-N 1 1 339.508 4.010 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)cs1 ZINC000390716225 1044059178 /nfs/dbraw/zinc/05/91/78/1044059178.db2.gz YGUOJODGCRRVJZ-LJQANCHMSA-N 1 1 339.508 4.010 20 30 EIEDMO N#CCc1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000543207031 1044128055 /nfs/dbraw/zinc/12/80/55/1044128055.db2.gz IUJMVQJHNMNYHW-JOCHJYFZSA-N 1 1 334.463 4.015 20 30 EIEDMO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000173949474 1044199162 /nfs/dbraw/zinc/19/91/62/1044199162.db2.gz ZHHXMNVIMQPPBG-SFHVURJKSA-N 1 1 333.479 4.182 20 30 EIEDMO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302935 1044307374 /nfs/dbraw/zinc/30/73/74/1044307374.db2.gz VMGDMKJEOGLYBP-FGZHOGPDSA-N 1 1 348.490 4.332 20 30 EIEDMO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)C2CC2)s1 ZINC000347963398 1044343301 /nfs/dbraw/zinc/34/33/01/1044343301.db2.gz OZWUQASHGKODIE-HNNXBMFYSA-N 1 1 349.406 4.166 20 30 EIEDMO C=CCN(CC=C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000194797510 1044365157 /nfs/dbraw/zinc/36/51/57/1044365157.db2.gz BBHNAEDVOBLCDR-UHFFFAOYSA-N 1 1 334.463 4.133 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000348090733 1044386769 /nfs/dbraw/zinc/38/67/69/1044386769.db2.gz XYXLBOPELWCGMO-UHFFFAOYSA-N 1 1 345.446 4.470 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001204768482 1044392579 /nfs/dbraw/zinc/39/25/79/1044392579.db2.gz JHOAHLYIJGEZIM-ZDUSSCGKSA-N 1 1 344.256 4.299 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000466414530 1044412213 /nfs/dbraw/zinc/41/22/13/1044412213.db2.gz KGSVWWLRUGYYKH-UGKGYDQZSA-N 1 1 340.511 4.103 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021539 1044437504 /nfs/dbraw/zinc/43/75/04/1044437504.db2.gz PWLILTROYJQQIJ-ALXJQNPVSA-N 1 1 339.508 4.151 20 30 EIEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H](C)N1Cc1ccccc1 ZINC001168021539 1044437534 /nfs/dbraw/zinc/43/75/34/1044437534.db2.gz PWLILTROYJQQIJ-ALXJQNPVSA-N 1 1 339.508 4.151 20 30 EIEDMO N#Cc1cc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000922296765 1044463763 /nfs/dbraw/zinc/46/37/63/1044463763.db2.gz YMLVYXLHJZEAKO-HNNXBMFYSA-N 1 1 341.263 4.140 20 30 EIEDMO C=C(C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000675783664 1044496475 /nfs/dbraw/zinc/49/64/75/1044496475.db2.gz PAAYXLHJZGHYQL-KRWDZBQOSA-N 1 1 332.451 4.248 20 30 EIEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487434196 1044554004 /nfs/dbraw/zinc/55/40/04/1044554004.db2.gz UHFPANGTTGOUGN-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000466493045 1044616589 /nfs/dbraw/zinc/61/65/89/1044616589.db2.gz MDMYALKMLDGQAQ-UHFFFAOYSA-N 1 1 334.463 4.474 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccc(F)cc2)c1C ZINC000914693442 1044663088 /nfs/dbraw/zinc/66/30/88/1044663088.db2.gz WMQDPHDLOHRLKW-HXUWFJFHSA-N 1 1 342.462 4.174 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000118392833 1044666977 /nfs/dbraw/zinc/66/69/77/1044666977.db2.gz YGESNACWNWXNAI-CYBMUJFWSA-N 1 1 346.377 4.361 20 30 EIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000735309009 1044785785 /nfs/dbraw/zinc/78/57/85/1044785785.db2.gz CCCUGJHRZBRGNF-UHFFFAOYSA-N 1 1 344.842 4.276 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474206974 1044796452 /nfs/dbraw/zinc/79/64/52/1044796452.db2.gz QRPVJJKJFJAHLQ-SFHVURJKSA-N 1 1 347.418 4.305 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474206974 1044796468 /nfs/dbraw/zinc/79/64/68/1044796468.db2.gz QRPVJJKJFJAHLQ-SFHVURJKSA-N 1 1 347.418 4.305 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1C ZINC000735309808 1044798252 /nfs/dbraw/zinc/79/82/52/1044798252.db2.gz UUSRBFXYOLMCTM-UHFFFAOYSA-N 1 1 344.842 4.191 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474217795 1044804177 /nfs/dbraw/zinc/80/41/77/1044804177.db2.gz NCWDNDAMFSKGHO-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474217795 1044804183 /nfs/dbraw/zinc/80/41/83/1044804183.db2.gz NCWDNDAMFSKGHO-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927271 1044865721 /nfs/dbraw/zinc/86/57/21/1044865721.db2.gz IOYMUUHRHDJSHQ-RHSMWYFYSA-N 1 1 343.389 4.060 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000115617083 1044963093 /nfs/dbraw/zinc/96/30/93/1044963093.db2.gz UPGXXBXABIMIOJ-UHFFFAOYSA-N 1 1 341.524 4.249 20 30 EIEDMO C=C(C)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000509349084 1044996998 /nfs/dbraw/zinc/99/69/98/1044996998.db2.gz VTHBTBPSXNPVMW-UHFFFAOYSA-N 1 1 343.858 4.142 20 30 EIEDMO C=C(C)CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000509349084 1044997012 /nfs/dbraw/zinc/99/70/12/1044997012.db2.gz VTHBTBPSXNPVMW-UHFFFAOYSA-N 1 1 343.858 4.142 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCCCC(=O)OC)C(C)(C)C)cc1 ZINC001307570312 1045007471 /nfs/dbraw/zinc/00/74/71/1045007471.db2.gz GOJBGVJJOBHKHU-UHFFFAOYSA-N 1 1 333.472 4.195 20 30 EIEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000156291321 1045034540 /nfs/dbraw/zinc/03/45/40/1045034540.db2.gz KNPYYNMKLCJWPV-CQSZACIVSA-N 1 1 329.469 4.094 20 30 EIEDMO CC(C)C[C@H]1CN(CCCc2ccccc2)CC[N@H+]1CCCCC#N ZINC000429381751 1045049997 /nfs/dbraw/zinc/04/99/97/1045049997.db2.gz SCNXTIVNMWJEHR-QFIPXVFZSA-N 1 1 341.543 4.345 20 30 EIEDMO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CCCCC#N ZINC000429381751 1045050010 /nfs/dbraw/zinc/05/00/10/1045050010.db2.gz SCNXTIVNMWJEHR-QFIPXVFZSA-N 1 1 341.543 4.345 20 30 EIEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CCCCC#N ZINC000429381751 1045050020 /nfs/dbraw/zinc/05/00/20/1045050020.db2.gz SCNXTIVNMWJEHR-QFIPXVFZSA-N 1 1 341.543 4.345 20 30 EIEDMO CCC[N@@H+](CCCSCC#N)Cc1ccccc1Br ZINC000466716043 1045080002 /nfs/dbraw/zinc/08/00/02/1045080002.db2.gz FIOFOWFESQGESP-UHFFFAOYSA-N 1 1 341.318 4.308 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCCC1 ZINC000555774861 1045099719 /nfs/dbraw/zinc/09/97/19/1045099719.db2.gz KLQPYBYDQIBVIO-UHFFFAOYSA-N 1 1 331.460 4.141 20 30 EIEDMO N#Cc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000027235968 1045172321 /nfs/dbraw/zinc/17/23/21/1045172321.db2.gz WEXBLJFJNQBZTL-UHFFFAOYSA-N 1 1 334.419 4.232 20 30 EIEDMO CC[C@H](C)Oc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000611254316 1045266136 /nfs/dbraw/zinc/26/61/36/1045266136.db2.gz DSUOWYSNUGOPLD-INIZCTEOSA-N 1 1 338.451 4.376 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266723 1045270450 /nfs/dbraw/zinc/27/04/50/1045270450.db2.gz DAVJLLZKPIUHDI-MJGOQNOKSA-N 1 1 326.465 4.219 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266721 1045272337 /nfs/dbraw/zinc/27/23/37/1045272337.db2.gz DAVJLLZKPIUHDI-HKUYNNGSSA-N 1 1 326.465 4.219 20 30 EIEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000611375035 1045290640 /nfs/dbraw/zinc/29/06/40/1045290640.db2.gz MGEMDDRHORWDEB-GFCCVEGCSA-N 1 1 332.350 4.019 20 30 EIEDMO C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611387003 1045294226 /nfs/dbraw/zinc/29/42/26/1045294226.db2.gz YGLIZINFGXRBQX-CQSZACIVSA-N 1 1 334.448 4.031 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000611394479 1045299516 /nfs/dbraw/zinc/29/95/16/1045299516.db2.gz LXNUSTFFTJFQRE-SFHVURJKSA-N 1 1 346.459 4.244 20 30 EIEDMO C[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476152 1045315379 /nfs/dbraw/zinc/31/53/79/1045315379.db2.gz ORKBQMDUJOHASW-AVRDEDQJSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476152 1045315386 /nfs/dbraw/zinc/31/53/86/1045315386.db2.gz ORKBQMDUJOHASW-AVRDEDQJSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(C#N)c1 ZINC000611500933 1045319135 /nfs/dbraw/zinc/31/91/35/1045319135.db2.gz GMEGJCHYXZPKFW-GFCCVEGCSA-N 1 1 340.224 4.043 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(OCC)cc2)c1O ZINC000732419215 1045409150 /nfs/dbraw/zinc/40/91/50/1045409150.db2.gz CFXMEVLAUHULDU-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO CC[N@@H+](Cc1cccc(Br)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000272405120 1045460258 /nfs/dbraw/zinc/46/02/58/1045460258.db2.gz KBGXGGNDANPPNU-CYBMUJFWSA-N 1 1 344.256 4.299 20 30 EIEDMO CC[N@@H+](Cc1cncc(Br)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000193758729 1045462571 /nfs/dbraw/zinc/46/25/71/1045462571.db2.gz VVDMLODEHXWYMQ-CYBMUJFWSA-N 1 1 344.256 4.299 20 30 EIEDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760297 1045463580 /nfs/dbraw/zinc/46/35/80/1045463580.db2.gz HXOZFKGBMANKEP-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760297 1045463589 /nfs/dbraw/zinc/46/35/89/1045463589.db2.gz HXOZFKGBMANKEP-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(OCC)cc2)c(O)c(OC)c1 ZINC000915808717 1045469681 /nfs/dbraw/zinc/46/96/81/1045469681.db2.gz YYWIFGCKBJKVAH-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO Cc1cc(CNc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)ccc1C#N ZINC000767688200 1045610924 /nfs/dbraw/zinc/61/09/24/1045610924.db2.gz BPIISCQSWZZLRT-KRWDZBQOSA-N 1 1 349.478 4.199 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000768153733 1045727411 /nfs/dbraw/zinc/72/74/11/1045727411.db2.gz IXNVEIAJLZLXNG-UHFFFAOYSA-N 1 1 327.384 4.226 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000768153733 1045727399 /nfs/dbraw/zinc/72/73/99/1045727399.db2.gz IXNVEIAJLZLXNG-UHFFFAOYSA-N 1 1 327.384 4.226 20 30 EIEDMO C[N@@H+](CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117404 1045739189 /nfs/dbraw/zinc/73/91/89/1045739189.db2.gz FSUNQBPULAQNOQ-CYBMUJFWSA-N 1 1 325.275 4.222 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791647162 1045792111 /nfs/dbraw/zinc/79/21/11/1045792111.db2.gz MYHKGNNUYGLKIO-IBGZPJMESA-N 1 1 342.483 4.304 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791647162 1045792123 /nfs/dbraw/zinc/79/21/23/1045792123.db2.gz MYHKGNNUYGLKIO-IBGZPJMESA-N 1 1 342.483 4.304 20 30 EIEDMO C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)c(F)c1 ZINC000404190753 1045820189 /nfs/dbraw/zinc/82/01/89/1045820189.db2.gz DQMFDXGQHXWOSX-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000768720717 1045831658 /nfs/dbraw/zinc/83/16/58/1045831658.db2.gz ZRVHGNNNMRQBLV-IBGZPJMESA-N 1 1 342.483 4.304 20 30 EIEDMO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000768720717 1045831662 /nfs/dbraw/zinc/83/16/62/1045831662.db2.gz ZRVHGNNNMRQBLV-IBGZPJMESA-N 1 1 342.483 4.304 20 30 EIEDMO O[C@H](C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239647 1045880046 /nfs/dbraw/zinc/88/00/46/1045880046.db2.gz CYBOKXMQNOEXSX-VQTJNVASSA-N 1 1 339.504 4.468 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001170185021 1045916477 /nfs/dbraw/zinc/91/64/77/1045916477.db2.gz SMXJOYXCMACSOL-FPOVZHCZSA-N 1 1 341.451 4.070 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315175 1045920463 /nfs/dbraw/zinc/92/04/63/1045920463.db2.gz GSBAUBFGKUBCML-JOCHJYFZSA-N 1 1 349.478 4.000 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000769379062 1045939954 /nfs/dbraw/zinc/93/99/54/1045939954.db2.gz IDNFGUKOPQGAMW-SFHVURJKSA-N 1 1 337.442 4.165 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCc3sccc3C2)cc1 ZINC000769387902 1045945896 /nfs/dbraw/zinc/94/58/96/1045945896.db2.gz PEIRPGGDRVYNJC-UHFFFAOYSA-N 1 1 325.481 4.046 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1nc(-c2ccccc2)cs1 ZINC001170242286 1045948029 /nfs/dbraw/zinc/94/80/29/1045948029.db2.gz AYIHGHZWOOMLTP-UHFFFAOYSA-N 1 1 347.447 4.353 20 30 EIEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769423346 1045959548 /nfs/dbraw/zinc/95/95/48/1045959548.db2.gz FVEZHSKGMCLUTN-MRXNPFEDSA-N 1 1 337.442 4.295 20 30 EIEDMO CC(=[NH+]Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000916269282 1045976657 /nfs/dbraw/zinc/97/66/57/1045976657.db2.gz CSXNEOUDWKNZSM-UHFFFAOYSA-N 1 1 347.821 4.152 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281169 1045987103 /nfs/dbraw/zinc/98/71/03/1045987103.db2.gz WILZZGIZPFUCOC-CVEARBPZSA-N 1 1 348.453 4.080 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170285189 1045987269 /nfs/dbraw/zinc/98/72/69/1045987269.db2.gz RCNHXYDYWYUFTJ-XKGZKEIXSA-N 1 1 349.902 4.097 20 30 EIEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497486 1045997618 /nfs/dbraw/zinc/99/76/18/1045997618.db2.gz FMMRQSCNAFZCGA-XMSQKQJNSA-N 1 1 333.479 4.414 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1F ZINC000191947493 1046003302 /nfs/dbraw/zinc/00/33/02/1046003302.db2.gz HUCWIFCUKTUGFB-UHFFFAOYSA-N 1 1 346.352 4.019 20 30 EIEDMO O/N=C/c1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170333664 1046005424 /nfs/dbraw/zinc/00/54/24/1046005424.db2.gz QWWTYJHLKMOXNK-FBUDGSANSA-N 1 1 335.451 4.102 20 30 EIEDMO CC[NH+](CC)Cc1c(Br)cccc1NCC(C)(C)S ZINC001170309125 1046009054 /nfs/dbraw/zinc/00/90/54/1046009054.db2.gz ONQVSRPNLNDRDE-UHFFFAOYSA-N 1 1 345.350 4.411 20 30 EIEDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000769549399 1046020278 /nfs/dbraw/zinc/02/02/78/1046020278.db2.gz QOJAFWGQPZCCAJ-RTBURBONSA-N 1 1 336.435 4.063 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nn(CC)c3ccccc23)c1 ZINC000769915041 1046097165 /nfs/dbraw/zinc/09/71/65/1046097165.db2.gz VMCXFHJCVLZULK-KRWDZBQOSA-N 1 1 348.450 4.027 20 30 EIEDMO C#C[C@H](C)[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000769962317 1046109455 /nfs/dbraw/zinc/10/94/55/1046109455.db2.gz WZFVQPBLKCDPDM-LBPRGKRZSA-N 1 1 329.856 4.170 20 30 EIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763408046 1046134042 /nfs/dbraw/zinc/13/40/42/1046134042.db2.gz NZHRTZUMUTZCBI-BHIFYINESA-N 1 1 334.463 4.250 20 30 EIEDMO CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410222 1046136175 /nfs/dbraw/zinc/13/61/75/1046136175.db2.gz ZRCWVUXMSNZHBV-LJQANCHMSA-N 1 1 346.833 4.296 20 30 EIEDMO CCC[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410222 1046136190 /nfs/dbraw/zinc/13/61/90/1046136190.db2.gz ZRCWVUXMSNZHBV-LJQANCHMSA-N 1 1 346.833 4.296 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409952 1046137090 /nfs/dbraw/zinc/13/70/90/1046137090.db2.gz IDXVCESLBPUQIA-FKBYEOEOSA-N 1 1 334.463 4.168 20 30 EIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763410745 1046139579 /nfs/dbraw/zinc/13/95/79/1046139579.db2.gz OEJOEFBKNHWDSM-WOJBJXKFSA-N 1 1 338.451 4.364 20 30 EIEDMO C[C@H]1CC(N=Nc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000793180892 1046164747 /nfs/dbraw/zinc/16/47/47/1046164747.db2.gz DNCGXQXOAIHJMB-AWEZNQCLSA-N 1 1 328.847 4.187 20 30 EIEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCc1ccccc1 ZINC000123754687 1046196609 /nfs/dbraw/zinc/19/66/09/1046196609.db2.gz XNMQHSDJRCUGDZ-UHFFFAOYSA-N 1 1 336.435 4.010 20 30 EIEDMO CCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1OCC(F)(F)F ZINC000536645277 1046262963 /nfs/dbraw/zinc/26/29/63/1046262963.db2.gz IHYZQIXPXPEHFZ-UHFFFAOYSA-N 1 1 344.377 4.150 20 30 EIEDMO CCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OCC(F)(F)F ZINC000536645277 1046262973 /nfs/dbraw/zinc/26/29/73/1046262973.db2.gz IHYZQIXPXPEHFZ-UHFFFAOYSA-N 1 1 344.377 4.150 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000793575088 1046309349 /nfs/dbraw/zinc/30/93/49/1046309349.db2.gz SLVHUWAWDLISFH-HXUWFJFHSA-N 1 1 338.451 4.107 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151447 1046357775 /nfs/dbraw/zinc/35/77/75/1046357775.db2.gz VVSOWLQIMCFPCH-KRWDZBQOSA-N 1 1 348.425 4.115 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cc(F)ccc1F ZINC000916987742 1046524863 /nfs/dbraw/zinc/52/48/63/1046524863.db2.gz VYDRMUFFMNZVPE-HNNXBMFYSA-N 1 1 343.826 4.401 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cc(F)ccc1F ZINC000916987742 1046524883 /nfs/dbraw/zinc/52/48/83/1046524883.db2.gz VYDRMUFFMNZVPE-HNNXBMFYSA-N 1 1 343.826 4.401 20 30 EIEDMO CCCCCCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804535101 1046588978 /nfs/dbraw/zinc/58/89/78/1046588978.db2.gz HTHRRAALCOAJCV-QFIPXVFZSA-N 1 1 342.527 4.472 20 30 EIEDMO Cn1c2ccc(Nc3nc(Cl)c(C#N)s3)cc2[nH+]c1C1CC1 ZINC000804578931 1046638521 /nfs/dbraw/zinc/63/85/21/1046638521.db2.gz OGERRGNCXLGATA-UHFFFAOYSA-N 1 1 329.816 4.176 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCC(C)(C)CC1 ZINC000127534240 1046690648 /nfs/dbraw/zinc/69/06/48/1046690648.db2.gz ILEOCBNOZJHJHU-UHFFFAOYSA-N 1 1 345.512 4.141 20 30 EIEDMO CCCCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917099935 1046710253 /nfs/dbraw/zinc/71/02/53/1046710253.db2.gz GKZOEWMMQZWBCL-HNNXBMFYSA-N 1 1 343.496 4.373 20 30 EIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000917105754 1046718610 /nfs/dbraw/zinc/71/86/10/1046718610.db2.gz JKDIXDGVUHMSCJ-KRWDZBQOSA-N 1 1 338.451 4.419 20 30 EIEDMO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000536732210 1046730731 /nfs/dbraw/zinc/73/07/31/1046730731.db2.gz YEZJKNGMXLHMHN-DLBZAZTESA-N 1 1 337.442 4.137 20 30 EIEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)C1CCCCCC1 ZINC000746564587 1046779930 /nfs/dbraw/zinc/77/99/30/1046779930.db2.gz JYFATOXXFPSOEW-UHFFFAOYSA-N 1 1 335.835 4.211 20 30 EIEDMO CC1(CC(F)(F)F)C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000459631465 1046821655 /nfs/dbraw/zinc/82/16/55/1046821655.db2.gz CEQHGPJSNFDHAA-UHFFFAOYSA-N 1 1 326.362 4.143 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](C2CC2)C2CCC(CC)CC2)c1=S ZINC000917439658 1046879329 /nfs/dbraw/zinc/87/93/29/1046879329.db2.gz BHRGSNPYKZKCCB-UHFFFAOYSA-N 1 1 334.533 4.299 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](C2CC2)C2CCC(CC)CC2)c1=S ZINC000917439658 1046879333 /nfs/dbraw/zinc/87/93/33/1046879333.db2.gz BHRGSNPYKZKCCB-UHFFFAOYSA-N 1 1 334.533 4.299 20 30 EIEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000497602741 1046885135 /nfs/dbraw/zinc/88/51/35/1046885135.db2.gz MPKSUYICQYZDHU-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480518 1046890449 /nfs/dbraw/zinc/89/04/49/1046890449.db2.gz NQPSACFLNQERFZ-GOSISDBHSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000497613098 1046891076 /nfs/dbraw/zinc/89/10/76/1046891076.db2.gz VXLJHVZBLVQEAQ-DNVCBOLYSA-N 1 1 336.435 4.318 20 30 EIEDMO CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620363 1046896912 /nfs/dbraw/zinc/89/69/12/1046896912.db2.gz NKUUOLMYZDRORR-SFHVURJKSA-N 1 1 343.515 4.082 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000537092569 1046938951 /nfs/dbraw/zinc/93/89/51/1046938951.db2.gz ASNIRTKFOPOCTR-CYBMUJFWSA-N 1 1 347.817 4.199 20 30 EIEDMO CC[C@@H]1CC([N@@H+](CC)CCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491624 1047051285 /nfs/dbraw/zinc/05/12/85/1047051285.db2.gz KPSABPPWYJNLNS-HZPDHXFCSA-N 1 1 337.508 4.179 20 30 EIEDMO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400824 1047195769 /nfs/dbraw/zinc/19/57/69/1047195769.db2.gz KDMVODUQKWRNFW-IIBYNOLFSA-N 1 1 339.458 4.431 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788476104 1047197173 /nfs/dbraw/zinc/19/71/73/1047197173.db2.gz YUUPHUXQHNKSER-UHFFFAOYSA-N 1 1 327.359 4.018 20 30 EIEDMO CCCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537407549 1047202000 /nfs/dbraw/zinc/20/20/00/1047202000.db2.gz LSPDXVLHAWHDSI-AWEZNQCLSA-N 1 1 327.403 4.122 20 30 EIEDMO C=C(Br)CN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000729542553 1047247637 /nfs/dbraw/zinc/24/76/37/1047247637.db2.gz LVNBBVWYOOOLOI-DOTOQJQBSA-N 1 1 337.305 4.052 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1O ZINC000788667999 1047267815 /nfs/dbraw/zinc/26/78/15/1047267815.db2.gz WFGJZAFZKGXXRM-JTQLQIEISA-N 1 1 338.304 4.273 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\Cc3nc(Cl)ccc3C2=O)c2ccccn21 ZINC000806578175 1047288478 /nfs/dbraw/zinc/28/84/78/1047288478.db2.gz OMQZDEOXZVPVHJ-ZRDIBKRKSA-N 1 1 337.810 4.329 20 30 EIEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788802019 1047306611 /nfs/dbraw/zinc/30/66/11/1047306611.db2.gz NMZPAZPCVPTNDB-OZVIIMIRSA-N 1 1 329.362 4.043 20 30 EIEDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000385763497 1047397660 /nfs/dbraw/zinc/39/76/60/1047397660.db2.gz ZRQNLVWBHCTNPV-QGZVFWFLSA-N 1 1 347.462 4.188 20 30 EIEDMO C=CCCC1(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476193705 1047420339 /nfs/dbraw/zinc/42/03/39/1047420339.db2.gz PQHQGQDTVNIWFH-FQEVSTJZSA-N 1 1 340.511 4.103 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000130399769 1047705239 /nfs/dbraw/zinc/70/52/39/1047705239.db2.gz DPEBTXPTGIUNOC-QGZVFWFLSA-N 1 1 334.448 4.340 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000763434293 1047808260 /nfs/dbraw/zinc/80/82/60/1047808260.db2.gz LQBVHFNBATWUON-UHFFFAOYSA-N 1 1 347.842 4.125 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000824656794 1047895911 /nfs/dbraw/zinc/89/59/11/1047895911.db2.gz MTIWSDFBKXYPPJ-YADHBBJMSA-N 1 1 346.474 4.330 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001136974765 1048007863 /nfs/dbraw/zinc/00/78/63/1048007863.db2.gz MIXGACXEMLXLBO-IBGZPJMESA-N 1 1 345.446 4.391 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988765 1048035668 /nfs/dbraw/zinc/03/56/68/1048035668.db2.gz SBLFYYWCDFXFOS-GOSISDBHSA-N 1 1 349.409 4.222 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000499057793 1048119019 /nfs/dbraw/zinc/11/90/19/1048119019.db2.gz UYMKIRXXFJGTDJ-HUUCEWRRSA-N 1 1 346.471 4.141 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000499057793 1048119024 /nfs/dbraw/zinc/11/90/24/1048119024.db2.gz UYMKIRXXFJGTDJ-HUUCEWRRSA-N 1 1 346.471 4.141 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001143638639 1048129552 /nfs/dbraw/zinc/12/95/52/1048129552.db2.gz XPGVPBRFFIGFLT-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO CCOc1c(F)cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC001143746767 1048181809 /nfs/dbraw/zinc/18/18/09/1048181809.db2.gz VFWMQEFPBIXJPB-UHFFFAOYSA-N 1 1 332.806 4.381 20 30 EIEDMO CCC(=[NH+]Nc1ccc(OCC(F)(F)F)cc1)c1cccc(N)c1 ZINC000814830364 1048192068 /nfs/dbraw/zinc/19/20/68/1048192068.db2.gz ISYHRAPJRMVWCL-UHFFFAOYSA-N 1 1 337.345 4.436 20 30 EIEDMO C[C@H](CCSc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366256 1048304878 /nfs/dbraw/zinc/30/48/78/1048304878.db2.gz LQLNECKFKJNBKB-UZLBHIALSA-N 1 1 340.492 4.094 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C2Cc3ccccc3C2)c1O ZINC000919950449 1048333318 /nfs/dbraw/zinc/33/33/18/1048333318.db2.gz NOOZLEBSOACKGC-UHFFFAOYSA-N 1 1 337.463 4.119 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141156 1048341909 /nfs/dbraw/zinc/34/19/09/1048341909.db2.gz ZHNGJIZRQIZRED-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141156 1048341929 /nfs/dbraw/zinc/34/19/29/1048341929.db2.gz ZHNGJIZRQIZRED-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141156 1048341945 /nfs/dbraw/zinc/34/19/45/1048341945.db2.gz ZHNGJIZRQIZRED-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C=C[C@H](C)ONC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000844488245 1048362297 /nfs/dbraw/zinc/36/22/97/1048362297.db2.gz RYLMQHSWQJTBQS-HNNXBMFYSA-N 1 1 331.460 4.079 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144079471 1048410600 /nfs/dbraw/zinc/41/06/00/1048410600.db2.gz MWWMDLVTXJFIKR-OAHLLOKOSA-N 1 1 332.234 4.250 20 30 EIEDMO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1cncc(C#N)c1 ZINC001144083927 1048414690 /nfs/dbraw/zinc/41/46/90/1048414690.db2.gz YQINGWIFQRTADW-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1cncc(C#N)c1 ZINC001144083927 1048414696 /nfs/dbraw/zinc/41/46/96/1048414696.db2.gz YQINGWIFQRTADW-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135010327 1048448076 /nfs/dbraw/zinc/44/80/76/1048448076.db2.gz YTESYRAJWLOEOD-HSALFYBXSA-N 1 1 340.511 4.006 20 30 EIEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000809699038 1048463492 /nfs/dbraw/zinc/46/34/92/1048463492.db2.gz LXXFEXXSKQZSEA-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1F ZINC000809700024 1048464464 /nfs/dbraw/zinc/46/44/64/1048464464.db2.gz VZRFEMXEZXVKAJ-KRWDZBQOSA-N 1 1 345.830 4.190 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)nc1 ZINC001144162913 1048472821 /nfs/dbraw/zinc/47/28/21/1048472821.db2.gz CVKJUXVKNKOYIN-CYBMUJFWSA-N 1 1 332.234 4.250 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)nc1 ZINC001144162913 1048472826 /nfs/dbraw/zinc/47/28/26/1048472826.db2.gz CVKJUXVKNKOYIN-CYBMUJFWSA-N 1 1 332.234 4.250 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)nc1 ZINC001144166789 1048478829 /nfs/dbraw/zinc/47/88/29/1048478829.db2.gz WGCPBEJMJQUUKT-KRWDZBQOSA-N 1 1 347.340 4.189 20 30 EIEDMO Cc1ccc(C#N)nc1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170585484 1048483665 /nfs/dbraw/zinc/48/36/65/1048483665.db2.gz LMDKCHSMDFTQTA-MRXNPFEDSA-N 1 1 349.265 4.283 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175623 1048573922 /nfs/dbraw/zinc/57/39/22/1048573922.db2.gz YZKLFLJJKFJMJT-SGQCMQEMSA-N 1 1 345.446 4.195 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170592070 1048586481 /nfs/dbraw/zinc/58/64/81/1048586481.db2.gz GWINWEMFXRJCOE-HKUYNNGSSA-N 1 1 348.535 4.149 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000074981994 1048639202 /nfs/dbraw/zinc/63/92/02/1048639202.db2.gz GIWSWNDTHYNAPV-OAHLLOKOSA-N 1 1 339.302 4.233 20 30 EIEDMO C=CCC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCCC1 ZINC001135280060 1048644888 /nfs/dbraw/zinc/64/48/88/1048644888.db2.gz PHZPEHYJJDSPHY-QGZVFWFLSA-N 1 1 334.891 4.195 20 30 EIEDMO COc1cccc(C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)c1 ZINC000810148085 1048655391 /nfs/dbraw/zinc/65/53/91/1048655391.db2.gz DLUCCIHZOHHUME-LJQANCHMSA-N 1 1 349.459 4.097 20 30 EIEDMO COc1cccc(C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)c1 ZINC000810148084 1048656161 /nfs/dbraw/zinc/65/61/61/1048656161.db2.gz DLUCCIHZOHHUME-IBGZPJMESA-N 1 1 349.459 4.097 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498265 1048704080 /nfs/dbraw/zinc/70/40/80/1048704080.db2.gz FVSPCIUABHJTRI-GOSISDBHSA-N 1 1 335.447 4.119 20 30 EIEDMO C[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCN(Cc2ccccc2)C1 ZINC000810238663 1048722293 /nfs/dbraw/zinc/72/22/93/1048722293.db2.gz RYTLXPPTPRJXNB-DHIUTWEWSA-N 1 1 345.490 4.047 20 30 EIEDMO CC[N@@H+](CCCNCc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000846021884 1048788717 /nfs/dbraw/zinc/78/87/17/1048788717.db2.gz DBTFFKHMWQCEPL-GOSISDBHSA-N 1 1 343.515 4.112 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001171216755 1048839818 /nfs/dbraw/zinc/83/98/18/1048839818.db2.gz KNAIPQZYXPGWRO-ZINXYGQCSA-N 1 1 338.495 4.016 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cccc(Br)c2C1 ZINC001171221842 1048857534 /nfs/dbraw/zinc/85/75/34/1048857534.db2.gz VYGJPABJFHAEGG-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cccc(Br)c2C1 ZINC001171221842 1048857535 /nfs/dbraw/zinc/85/75/35/1048857535.db2.gz VYGJPABJFHAEGG-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO C=CCCCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001144798196 1048860116 /nfs/dbraw/zinc/86/01/16/1048860116.db2.gz FWQWTHDBELARPU-FQEVSTJZSA-N 1 1 343.515 4.079 20 30 EIEDMO C=CCCCCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001144798196 1048860119 /nfs/dbraw/zinc/86/01/19/1048860119.db2.gz FWQWTHDBELARPU-FQEVSTJZSA-N 1 1 343.515 4.079 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001171223326 1048861172 /nfs/dbraw/zinc/86/11/72/1048861172.db2.gz MRKWGDDQUVUJBT-XMSQKQJNSA-N 1 1 334.463 4.170 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233150 1048872418 /nfs/dbraw/zinc/87/24/18/1048872418.db2.gz ZHWVKXSCCHRXSS-UWJYYQICSA-N 1 1 334.463 4.377 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000772949897 1048889359 /nfs/dbraw/zinc/88/93/59/1048889359.db2.gz ZDXXQQCLCRFVHC-INIZCTEOSA-N 1 1 336.907 4.341 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000772949897 1048889361 /nfs/dbraw/zinc/88/93/61/1048889361.db2.gz ZDXXQQCLCRFVHC-INIZCTEOSA-N 1 1 336.907 4.341 20 30 EIEDMO O[C@@H](C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660865 1048899126 /nfs/dbraw/zinc/89/91/26/1048899126.db2.gz WGISLZMUVFTUKR-UXHICEINSA-N 1 1 341.426 4.139 20 30 EIEDMO CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC001171259103 1048965481 /nfs/dbraw/zinc/96/54/81/1048965481.db2.gz MUEPTXQGENOAIH-FQEVSTJZSA-N 1 1 328.500 4.006 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432222 1049062188 /nfs/dbraw/zinc/06/21/88/1049062188.db2.gz UXYQFMZJUWIVMV-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954549 1049067766 /nfs/dbraw/zinc/06/77/66/1049067766.db2.gz YNGYNOCMEHWTIY-IERDGZPVSA-N 1 1 337.467 4.063 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135244766 1049090888 /nfs/dbraw/zinc/09/08/88/1049090888.db2.gz JWBXSDBLRDKVNL-KRWDZBQOSA-N 1 1 334.463 4.486 20 30 EIEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000609669993 1049252992 /nfs/dbraw/zinc/25/29/92/1049252992.db2.gz IATJCGASMWJRLC-AWEZNQCLSA-N 1 1 340.393 4.039 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001171333359 1049334948 /nfs/dbraw/zinc/33/49/48/1049334948.db2.gz VXLKYSUVCVAOSJ-AEFFLSMTSA-N 1 1 346.540 4.163 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001171333360 1049335585 /nfs/dbraw/zinc/33/55/85/1049335585.db2.gz VXLKYSUVCVAOSJ-FUHWJXTLSA-N 1 1 346.540 4.163 20 30 EIEDMO C=CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001148727948 1049362207 /nfs/dbraw/zinc/36/22/07/1049362207.db2.gz YVKHRRFMUNTFMT-IBGZPJMESA-N 1 1 340.511 4.007 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CCCCC3)C2)c(C#N)c1C ZINC000348142392 1049459700 /nfs/dbraw/zinc/45/97/00/1049459700.db2.gz IXPQTKLVRHGNFG-OAHLLOKOSA-N 1 1 343.471 4.141 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CCCCC3)C2)c(C#N)c1C ZINC000348142392 1049459721 /nfs/dbraw/zinc/45/97/21/1049459721.db2.gz IXPQTKLVRHGNFG-OAHLLOKOSA-N 1 1 343.471 4.141 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(=N)c2cccnc2Cl)cc1 ZINC001171355756 1049507068 /nfs/dbraw/zinc/50/70/68/1049507068.db2.gz DIWULWRFRQYPFB-QGZVFWFLSA-N 1 1 340.858 4.495 20 30 EIEDMO C=CC[NH+]1CCC(N[C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809692 1049554568 /nfs/dbraw/zinc/55/45/68/1049554568.db2.gz GQQNWGVHBOVKJU-HXUWFJFHSA-N 1 1 344.886 4.457 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000610132615 1049555940 /nfs/dbraw/zinc/55/59/40/1049555940.db2.gz KZPCALIWDHCHTO-IBGZPJMESA-N 1 1 338.451 4.419 20 30 EIEDMO Cc1nc2ccccc2n1CCCCC[N@@H+](CCC#N)CC(C)C ZINC000812826498 1049587620 /nfs/dbraw/zinc/58/76/20/1049587620.db2.gz JUKXOACYGFDXMS-UHFFFAOYSA-N 1 1 326.488 4.387 20 30 EIEDMO C#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795321 1049592574 /nfs/dbraw/zinc/59/25/74/1049592574.db2.gz QZLWFCWZXCCUTQ-WTOYTKOKSA-N 1 1 336.454 4.143 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001171400146 1049621562 /nfs/dbraw/zinc/62/15/62/1049621562.db2.gz SLZYBYRCQSDQMP-LBPRGKRZSA-N 1 1 334.341 4.476 20 30 EIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067962748 1049670056 /nfs/dbraw/zinc/67/00/56/1049670056.db2.gz YLZMJQWXKHYPBX-HNNXBMFYSA-N 1 1 347.418 4.326 20 30 EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)/C=C/c3ccccc3C#N)c2C1 ZINC000179576137 1049687702 /nfs/dbraw/zinc/68/77/02/1049687702.db2.gz PBILSIQZVVOFQR-ZHACJKMWSA-N 1 1 345.446 4.182 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(C)(C)C ZINC001171616511 1049766426 /nfs/dbraw/zinc/76/64/26/1049766426.db2.gz CHUNYMHVRIOQEH-RZQQEMMASA-N 1 1 349.519 4.036 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC001171840737 1049811897 /nfs/dbraw/zinc/81/18/97/1049811897.db2.gz HFRKXYIHTPKNAX-GFCCVEGCSA-N 1 1 327.255 4.220 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC001171840737 1049811898 /nfs/dbraw/zinc/81/18/98/1049811898.db2.gz HFRKXYIHTPKNAX-GFCCVEGCSA-N 1 1 327.255 4.220 20 30 EIEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c(OC2CCCC2)c1 ZINC000822976466 1049812499 /nfs/dbraw/zinc/81/24/99/1049812499.db2.gz FYMXVEVFJFJNFE-INIZCTEOSA-N 1 1 340.427 4.060 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852751 1049813357 /nfs/dbraw/zinc/81/33/57/1049813357.db2.gz HABAZYOIHFXFEO-KRWDZBQOSA-N 1 1 349.519 4.324 20 30 EIEDMO C=CC1(CC(=O)N2CCC(C[N@H+](C)CCCC)CC2)CCCCC1 ZINC001136660435 1049819161 /nfs/dbraw/zinc/81/91/61/1049819161.db2.gz OWJQOHOKDLWTKS-UHFFFAOYSA-N 1 1 334.548 4.484 20 30 EIEDMO CC1(C)C[C@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964860 1049826390 /nfs/dbraw/zinc/82/63/90/1049826390.db2.gz NHAAVWTWCZRGAB-LJQANCHMSA-N 1 1 325.500 4.103 20 30 EIEDMO CC1(C)C[C@@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC001171974694 1049835586 /nfs/dbraw/zinc/83/55/86/1049835586.db2.gz AEQVPNKYPUNPLV-SFHVURJKSA-N 1 1 339.508 4.153 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC001171974694 1049835593 /nfs/dbraw/zinc/83/55/93/1049835593.db2.gz AEQVPNKYPUNPLV-SFHVURJKSA-N 1 1 339.508 4.153 20 30 EIEDMO CC1(C)C[C@H](NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171973031 1049835869 /nfs/dbraw/zinc/83/58/69/1049835869.db2.gz VDVSTJQEISINLN-LJQANCHMSA-N 1 1 325.500 4.246 20 30 EIEDMO CN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840492 /nfs/dbraw/zinc/84/04/92/1049840492.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840507 /nfs/dbraw/zinc/84/05/07/1049840507.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840510 /nfs/dbraw/zinc/84/05/10/1049840510.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172065769 1049850748 /nfs/dbraw/zinc/85/07/48/1049850748.db2.gz QMSNOHOZIBLCJL-PRMSZOBUSA-N 1 1 337.511 4.244 20 30 EIEDMO N#Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066005 1049851285 /nfs/dbraw/zinc/85/12/85/1049851285.db2.gz SOEVERPCBJRVCV-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172064886 1049851311 /nfs/dbraw/zinc/85/13/11/1049851311.db2.gz IARXKJOPRGOCHP-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172064886 1049851312 /nfs/dbraw/zinc/85/13/12/1049851312.db2.gz IARXKJOPRGOCHP-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172064886 1049851313 /nfs/dbraw/zinc/85/13/13/1049851313.db2.gz IARXKJOPRGOCHP-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO N#CC1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172069621 1049853455 /nfs/dbraw/zinc/85/34/55/1049853455.db2.gz VXSWURBFOWBBHX-WKCHPHFGSA-N 1 1 337.511 4.246 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC001172304879 1049873633 /nfs/dbraw/zinc/87/36/33/1049873633.db2.gz AVSYTWBKBJUODQ-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1Br ZINC001172307883 1049874549 /nfs/dbraw/zinc/87/45/49/1049874549.db2.gz HHYOMOIWNAJXCQ-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO COc1ccc(C2=CC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312855 1049875577 /nfs/dbraw/zinc/87/55/77/1049875577.db2.gz KNJKVUFPCMGOJP-QGZVFWFLSA-N 1 1 332.447 4.287 20 30 EIEDMO COc1ccc(C2=CC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312854 1049875935 /nfs/dbraw/zinc/87/59/35/1049875935.db2.gz KNJKVUFPCMGOJP-KRWDZBQOSA-N 1 1 332.447 4.287 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172320405 1049877163 /nfs/dbraw/zinc/87/71/63/1049877163.db2.gz VDWLIVAAUZIGBM-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171038086 1049887153 /nfs/dbraw/zinc/88/71/53/1049887153.db2.gz SHTSNLSGXNLPGN-KRWDZBQOSA-N 1 1 325.843 4.008 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171038086 1049887156 /nfs/dbraw/zinc/88/71/56/1049887156.db2.gz SHTSNLSGXNLPGN-KRWDZBQOSA-N 1 1 325.843 4.008 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001172358585 1049895196 /nfs/dbraw/zinc/89/51/96/1049895196.db2.gz QKZWYZQTRDKOGW-SFHVURJKSA-N 1 1 348.535 4.159 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001172358585 1049895197 /nfs/dbraw/zinc/89/51/97/1049895197.db2.gz QKZWYZQTRDKOGW-SFHVURJKSA-N 1 1 348.535 4.159 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921535 /nfs/dbraw/zinc/92/15/35/1049921535.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 1 1 345.556 4.363 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921545 /nfs/dbraw/zinc/92/15/45/1049921545.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 1 1 345.556 4.363 20 30 EIEDMO CCCC[C@@H]1C[N@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498439 1049922634 /nfs/dbraw/zinc/92/26/34/1049922634.db2.gz MWLAXGCKZLCWMS-DLBZAZTESA-N 1 1 337.508 4.180 20 30 EIEDMO CCCCCCCC[C@@H](CC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172505257 1049924563 /nfs/dbraw/zinc/92/45/63/1049924563.db2.gz KYSAIYZRVDBKIY-HXUWFJFHSA-N 1 1 337.596 4.227 20 30 EIEDMO C[C@H](CCCC#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001172507431 1049925569 /nfs/dbraw/zinc/92/55/69/1049925569.db2.gz UINYUEHGURGJLH-HXUWFJFHSA-N 1 1 347.506 4.476 20 30 EIEDMO CCCCCCC[C@H](CCC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172511690 1049926601 /nfs/dbraw/zinc/92/66/01/1049926601.db2.gz UQHOUWKKNXHIHO-FQEVSTJZSA-N 1 1 337.596 4.227 20 30 EIEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000069302776 1050042189 /nfs/dbraw/zinc/04/21/89/1050042189.db2.gz WZZXZWIDTHEJEG-UHFFFAOYSA-N 1 1 349.478 4.189 20 30 EIEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000069302776 1050042196 /nfs/dbraw/zinc/04/21/96/1050042196.db2.gz WZZXZWIDTHEJEG-UHFFFAOYSA-N 1 1 349.478 4.189 20 30 EIEDMO O=C1C=C2C[N@@H+](C3CCC(Cc4ccccc4)CC3)CCC2S1 ZINC001172822030 1050164729 /nfs/dbraw/zinc/16/47/29/1050164729.db2.gz OZUSCZATINLGNF-NKELODKYSA-N 1 1 327.493 4.062 20 30 EIEDMO C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000252086544 1050242542 /nfs/dbraw/zinc/24/25/42/1050242542.db2.gz CWWWJFWKRJUEON-QWHCGFSZSA-N 1 1 325.378 4.109 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001177590228 1050259427 /nfs/dbraw/zinc/25/94/27/1050259427.db2.gz JUGSJDCMKWGVMQ-UHFFFAOYSA-N 1 1 338.209 4.434 20 30 EIEDMO CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(F)cc1F ZINC000181663552 1050290505 /nfs/dbraw/zinc/29/05/05/1050290505.db2.gz LLFLRQPYRSMPME-GOSISDBHSA-N 1 1 330.378 4.476 20 30 EIEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001173086714 1050299327 /nfs/dbraw/zinc/29/93/27/1050299327.db2.gz LGOJFQVQMWXMMY-HIFRSBDPSA-N 1 1 326.362 4.142 20 30 EIEDMO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734717 1050318086 /nfs/dbraw/zinc/31/80/86/1050318086.db2.gz GYRBIDCGGGTEIN-ROUUACIJSA-N 1 1 343.515 4.140 20 30 EIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734717 1050318102 /nfs/dbraw/zinc/31/81/02/1050318102.db2.gz GYRBIDCGGGTEIN-ROUUACIJSA-N 1 1 343.515 4.140 20 30 EIEDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181823982 1050351980 /nfs/dbraw/zinc/35/19/80/1050351980.db2.gz KVHDAOIDVHSKJG-KGLIPLIRSA-N 1 1 328.387 4.148 20 30 EIEDMO Fc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000618451981 1050387184 /nfs/dbraw/zinc/38/71/84/1050387184.db2.gz REEQNJKNEFPIFK-GHMZBOCLSA-N 1 1 329.259 4.388 20 30 EIEDMO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(OCC#N)cc1 ZINC000182001412 1050413679 /nfs/dbraw/zinc/41/36/79/1050413679.db2.gz CPULXWFAFSJSLM-CYBMUJFWSA-N 1 1 339.420 4.156 20 30 EIEDMO N#CCC1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC001173330116 1050420531 /nfs/dbraw/zinc/42/05/31/1050420531.db2.gz UOADGMAIKMNYNM-UHFFFAOYSA-N 1 1 329.831 4.156 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001173331041 1050422729 /nfs/dbraw/zinc/42/27/29/1050422729.db2.gz KPPBUNMWDCZYII-UHFFFAOYSA-N 1 1 325.500 4.055 20 30 EIEDMO C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173337784 1050427281 /nfs/dbraw/zinc/42/72/81/1050427281.db2.gz SUEOGIDWUAATBW-LXPRWKDFSA-N 1 1 349.519 4.038 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3cccc(Cl)c3)n2c1 ZINC000153433981 1050436936 /nfs/dbraw/zinc/43/69/36/1050436936.db2.gz AALZBKIVKWXKBQ-SFHVURJKSA-N 1 1 336.826 4.196 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3cccc(Cl)c3)n2c1 ZINC000153433981 1050436943 /nfs/dbraw/zinc/43/69/43/1050436943.db2.gz AALZBKIVKWXKBQ-SFHVURJKSA-N 1 1 336.826 4.196 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001173320457 1050440921 /nfs/dbraw/zinc/44/09/21/1050440921.db2.gz OEQYPRCXAXDBOE-WIXQSORDSA-N 1 1 345.483 4.052 20 30 EIEDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173593425 1050497004 /nfs/dbraw/zinc/49/70/04/1050497004.db2.gz IXYABTUHDIOFCU-VPRUJKLYSA-N 1 1 349.519 4.084 20 30 EIEDMO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173593422 1050497036 /nfs/dbraw/zinc/49/70/36/1050497036.db2.gz IXYABTUHDIOFCU-RIGHFQGKSA-N 1 1 349.519 4.084 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001173601544 1050501656 /nfs/dbraw/zinc/50/16/56/1050501656.db2.gz VKWKYYDILJJFEK-UHFFFAOYSA-N 1 1 338.373 4.416 20 30 EIEDMO C=CCCCCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC001178688877 1050532036 /nfs/dbraw/zinc/53/20/36/1050532036.db2.gz OESBPWSMRSVSFE-UHFFFAOYSA-N 1 1 349.950 4.318 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807475 1050537116 /nfs/dbraw/zinc/53/71/16/1050537116.db2.gz ZWZBAFFLQLBFPE-HVETUWLQSA-N 1 1 337.511 4.178 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000093533559 1050629528 /nfs/dbraw/zinc/62/95/28/1050629528.db2.gz GCIQQFLMMGABIG-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000619428884 1050784952 /nfs/dbraw/zinc/78/49/52/1050784952.db2.gz KLDYIWPIVPJUMT-UHFFFAOYSA-N 1 1 335.167 4.107 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC001180023455 1050857221 /nfs/dbraw/zinc/85/72/21/1050857221.db2.gz CBPYGTMJECUHBI-UHFFFAOYSA-N 1 1 347.437 4.170 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183354 1050895684 /nfs/dbraw/zinc/89/56/84/1050895684.db2.gz CBQPHUCURBYFTP-IBGZPJMESA-N 1 1 326.390 4.434 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000152966304 1050913940 /nfs/dbraw/zinc/91/39/40/1050913940.db2.gz ZDGFNMNUKJCWPA-CQSZACIVSA-N 1 1 337.305 4.140 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018728 1050935180 /nfs/dbraw/zinc/93/51/80/1050935180.db2.gz RPHGBRCRWXPQNC-QGZVFWFLSA-N 1 1 338.442 4.369 20 30 EIEDMO C#CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296818 1050957515 /nfs/dbraw/zinc/95/75/15/1050957515.db2.gz MBZRDBRSXQPKEX-MBSDFSHPSA-N 1 1 349.474 4.223 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccccc1-c1ccc(C#N)cc1)C1CCCC1 ZINC001180629588 1051054575 /nfs/dbraw/zinc/05/45/75/1051054575.db2.gz OXZRTIDWMNTRJS-UHFFFAOYSA-N 1 1 333.435 4.038 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C(C)(C)C ZINC001174641393 1051095798 /nfs/dbraw/zinc/09/57/98/1051095798.db2.gz HUDBNRQOYYLGKG-UHFFFAOYSA-N 1 1 344.480 4.383 20 30 EIEDMO CC[C@](C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000775387013 1051181311 /nfs/dbraw/zinc/18/13/11/1051181311.db2.gz IXEFREUFJBGLSV-FQEVSTJZSA-N 1 1 332.407 4.023 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471209 1051233116 /nfs/dbraw/zinc/23/31/16/1051233116.db2.gz CZROSJMNJUVCEL-OAHLLOKOSA-N 1 1 341.421 4.009 20 30 EIEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471209 1051233125 /nfs/dbraw/zinc/23/31/25/1051233125.db2.gz CZROSJMNJUVCEL-OAHLLOKOSA-N 1 1 341.421 4.009 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@]1(C)Br ZINC001181707675 1051280836 /nfs/dbraw/zinc/28/08/36/1051280836.db2.gz OBWDQYKBJDFJCJ-HZPDHXFCSA-N 1 1 340.309 4.016 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@]1(C)Br ZINC001181707675 1051280849 /nfs/dbraw/zinc/28/08/49/1051280849.db2.gz OBWDQYKBJDFJCJ-HZPDHXFCSA-N 1 1 340.309 4.016 20 30 EIEDMO CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001190964957 1051312948 /nfs/dbraw/zinc/31/29/48/1051312948.db2.gz AECBGTZBJHBCHI-OAHLLOKOSA-N 1 1 325.374 4.449 20 30 EIEDMO CC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001190964955 1051313248 /nfs/dbraw/zinc/31/32/48/1051313248.db2.gz AECBGTZBJHBCHI-HNNXBMFYSA-N 1 1 325.374 4.449 20 30 EIEDMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC001175036787 1051328547 /nfs/dbraw/zinc/32/85/47/1051328547.db2.gz YZFBXLDUSXUTDY-QFIPXVFZSA-N 1 1 334.463 4.343 20 30 EIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213771 1051386574 /nfs/dbraw/zinc/38/65/74/1051386574.db2.gz KNAXYIMXZZRYRJ-NHCUHLMSSA-N 1 1 347.462 4.073 20 30 EIEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183563 1051392322 /nfs/dbraw/zinc/39/23/22/1051392322.db2.gz SGOHALRDTCOMGL-HTAPYJJXSA-N 1 1 347.462 4.278 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191367646 1051444042 /nfs/dbraw/zinc/44/40/42/1051444042.db2.gz RYNLCHZUCDMOBO-QGZVFWFLSA-N 1 1 337.508 4.038 20 30 EIEDMO CCOc1ccc(F)c(F)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001175279696 1051479584 /nfs/dbraw/zinc/47/95/84/1051479584.db2.gz GBOJIELZHUUBPF-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO CCOc1ccc(F)c(F)c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175279696 1051479595 /nfs/dbraw/zinc/47/95/95/1051479595.db2.gz GBOJIELZHUUBPF-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001191626406 1051493746 /nfs/dbraw/zinc/49/37/46/1051493746.db2.gz IIWKUWHZDMMCHB-RBBKRZOGSA-N 1 1 332.447 4.338 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646763 1051508757 /nfs/dbraw/zinc/50/87/57/1051508757.db2.gz SVNRRMDEUNUMTM-JOCHJYFZSA-N 1 1 332.447 4.479 20 30 EIEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191773951 1051533453 /nfs/dbraw/zinc/53/34/53/1051533453.db2.gz QDXZTQBCBYKNIQ-LEWJYISDSA-N 1 1 337.442 4.159 20 30 EIEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC001191996359 1051599468 /nfs/dbraw/zinc/59/94/68/1051599468.db2.gz BJSCUBIPVJIPJJ-JOCHJYFZSA-N 1 1 340.426 4.293 20 30 EIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001182532566 1051634083 /nfs/dbraw/zinc/63/40/83/1051634083.db2.gz FWAYMGUPNWTFCQ-MJGOQNOKSA-N 1 1 325.500 4.272 20 30 EIEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(F)c1F ZINC001175506561 1051639365 /nfs/dbraw/zinc/63/93/65/1051639365.db2.gz GJIXNYBIVAJGCZ-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157495852 1051643527 /nfs/dbraw/zinc/64/35/27/1051643527.db2.gz AOYMNLDYNVCXIC-SFHVURJKSA-N 1 1 332.532 4.258 20 30 EIEDMO C#CC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523526 1051701242 /nfs/dbraw/zinc/70/12/42/1051701242.db2.gz JQOAHLDIQRPWRA-PTUXOGIPSA-N 1 1 332.491 4.251 20 30 EIEDMO C#CC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523526 1051701244 /nfs/dbraw/zinc/70/12/44/1051701244.db2.gz JQOAHLDIQRPWRA-PTUXOGIPSA-N 1 1 332.491 4.251 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CCF)C2)cc1OC ZINC001182891728 1051735516 /nfs/dbraw/zinc/73/55/16/1051735516.db2.gz OGIFPRCIKNCSOD-AWEZNQCLSA-N 1 1 341.854 4.485 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(F)c1F ZINC000775553450 1051824121 /nfs/dbraw/zinc/82/41/21/1051824121.db2.gz OGKYXSWTISGJDX-NSHDSACASA-N 1 1 336.769 4.371 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000775557678 1051839101 /nfs/dbraw/zinc/83/91/01/1051839101.db2.gz GZRWRZWHCSJUMF-UHFFFAOYSA-N 1 1 326.415 4.267 20 30 EIEDMO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1C1CC1 ZINC001176011228 1051873264 /nfs/dbraw/zinc/87/32/64/1051873264.db2.gz TYHXYIBKQRULAV-MRXNPFEDSA-N 1 1 337.467 4.029 20 30 EIEDMO CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001193210574 1051886589 /nfs/dbraw/zinc/88/65/89/1051886589.db2.gz OIECMCVOJNRYAL-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210574 1051886596 /nfs/dbraw/zinc/88/65/96/1051886596.db2.gz OIECMCVOJNRYAL-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210574 1051886601 /nfs/dbraw/zinc/88/66/01/1051886601.db2.gz OIECMCVOJNRYAL-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001176114083 1051917734 /nfs/dbraw/zinc/91/77/34/1051917734.db2.gz OSAWPKBAVIOHCM-AWEZNQCLSA-N 1 1 340.309 4.389 20 30 EIEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC001203269807 1051918636 /nfs/dbraw/zinc/91/86/36/1051918636.db2.gz DMGCYVQLJUNLTA-GOSISDBHSA-N 1 1 348.918 4.116 20 30 EIEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC001203269807 1051918644 /nfs/dbraw/zinc/91/86/44/1051918644.db2.gz DMGCYVQLJUNLTA-GOSISDBHSA-N 1 1 348.918 4.116 20 30 EIEDMO CC(C)(C)[PH+](CCCNC(=O)c1ccc(O)c(C#N)c1)C(C)(C)C ZINC001193518712 1051942800 /nfs/dbraw/zinc/94/28/00/1051942800.db2.gz FPYYSFSMAAVNCF-UHFFFAOYSA-N 1 1 348.427 4.463 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC001184044521 1051944327 /nfs/dbraw/zinc/94/43/27/1051944327.db2.gz BVKZIQMJJRDYKH-UHFFFAOYSA-N 1 1 344.817 4.436 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001193957480 1052031818 /nfs/dbraw/zinc/03/18/18/1052031818.db2.gz YMCXCOQNKFWMJW-PLWAMTLXSA-N 1 1 345.914 4.343 20 30 EIEDMO Cc1ccc([C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194073809 1052071149 /nfs/dbraw/zinc/07/11/49/1052071149.db2.gz LPWPEJBOYFEIGT-FQEVSTJZSA-N 1 1 334.463 4.434 20 30 EIEDMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC001194116695 1052075936 /nfs/dbraw/zinc/07/59/36/1052075936.db2.gz VBXBBUJALGZCNU-QGZVFWFLSA-N 1 1 337.508 4.039 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]1CCCc2ccccc21 ZINC001176451983 1052076004 /nfs/dbraw/zinc/07/60/04/1052076004.db2.gz HJJODUGFRYOYMP-QFIPXVFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]1CCCc2ccccc21 ZINC001176451983 1052076017 /nfs/dbraw/zinc/07/60/17/1052076017.db2.gz HJJODUGFRYOYMP-QFIPXVFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C=C(C)COc1cc(CNCCC[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266309 1052168622 /nfs/dbraw/zinc/16/86/22/1052168622.db2.gz JHISUTLWNXRXDS-GOSISDBHSA-N 1 1 346.515 4.004 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767239 1052192961 /nfs/dbraw/zinc/19/29/61/1052192961.db2.gz BJVPLSYXBCQQRA-HNNXBMFYSA-N 1 1 326.362 4.075 20 30 EIEDMO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001176771935 1052195051 /nfs/dbraw/zinc/19/50/51/1052195051.db2.gz YKTOIEAXRYQKMK-CYBMUJFWSA-N 1 1 347.509 4.241 20 30 EIEDMO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(C#N)cc1C ZINC001176960259 1052211064 /nfs/dbraw/zinc/21/10/64/1052211064.db2.gz WMCUQNLTTYSDJR-CQSZACIVSA-N 1 1 339.508 4.470 20 30 EIEDMO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(C#N)cc1C ZINC001176960259 1052211072 /nfs/dbraw/zinc/21/10/72/1052211072.db2.gz WMCUQNLTTYSDJR-CQSZACIVSA-N 1 1 339.508 4.470 20 30 EIEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1C#N ZINC000774908427 1052274876 /nfs/dbraw/zinc/27/48/76/1052274876.db2.gz HWJLMKZRZMZEHI-OAQYLSRUSA-N 1 1 346.430 4.196 20 30 EIEDMO C[N@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccc(C#N)cc1 ZINC000131182142 1052547625 /nfs/dbraw/zinc/54/76/25/1052547625.db2.gz BXJILYVTAVCOKZ-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO C[N@@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccc(C#N)cc1 ZINC000131182142 1052547628 /nfs/dbraw/zinc/54/76/28/1052547628.db2.gz BXJILYVTAVCOKZ-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3n2CC)c1 ZINC000073012172 1052671079 /nfs/dbraw/zinc/67/10/79/1052671079.db2.gz CGQNWRRQGWBPEI-KRWDZBQOSA-N 1 1 348.450 4.027 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466347 1053118486 /nfs/dbraw/zinc/11/84/86/1053118486.db2.gz JJGXYWBUKCXXLB-LEWJYISDSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764466347 1053118526 /nfs/dbraw/zinc/11/85/26/1053118526.db2.gz JJGXYWBUKCXXLB-LEWJYISDSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764466347 1053118556 /nfs/dbraw/zinc/11/85/56/1053118556.db2.gz JJGXYWBUKCXXLB-LEWJYISDSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875505 1053143377 /nfs/dbraw/zinc/14/33/77/1053143377.db2.gz ZNHDEOODKFVFGN-INIZCTEOSA-N 1 1 349.906 4.406 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794665352 1053237848 /nfs/dbraw/zinc/23/78/48/1053237848.db2.gz XGNYCEBVAKYAST-LRDDRELGSA-N 1 1 343.389 4.292 20 30 EIEDMO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1O ZINC000850488567 1053257896 /nfs/dbraw/zinc/25/78/96/1053257896.db2.gz NFSCAEYCIFFICB-LBPRGKRZSA-N 1 1 334.341 4.176 20 30 EIEDMO C=C(Br)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000101729823 1053312858 /nfs/dbraw/zinc/31/28/58/1053312858.db2.gz ZYWUFIUPQQFVSL-UHFFFAOYSA-N 1 1 335.245 4.115 20 30 EIEDMO C=C(Br)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000101729823 1053312879 /nfs/dbraw/zinc/31/28/79/1053312879.db2.gz ZYWUFIUPQQFVSL-UHFFFAOYSA-N 1 1 335.245 4.115 20 30 EIEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290102 1053364441 /nfs/dbraw/zinc/36/44/41/1053364441.db2.gz SRJZIVLXWZTWGY-XJKSGUPXSA-N 1 1 348.874 4.154 20 30 EIEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290102 1053364457 /nfs/dbraw/zinc/36/44/57/1053364457.db2.gz SRJZIVLXWZTWGY-XJKSGUPXSA-N 1 1 348.874 4.154 20 30 EIEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1 ZINC001195557214 1053427089 /nfs/dbraw/zinc/42/70/89/1053427089.db2.gz BBECHVIBWCRFOJ-SFHVURJKSA-N 1 1 348.446 4.071 20 30 EIEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1 ZINC001195557214 1053427094 /nfs/dbraw/zinc/42/70/94/1053427094.db2.gz BBECHVIBWCRFOJ-SFHVURJKSA-N 1 1 348.446 4.071 20 30 EIEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC001195568834 1053438325 /nfs/dbraw/zinc/43/83/25/1053438325.db2.gz SDHJOTMYZSVJAW-SFHVURJKSA-N 1 1 348.446 4.153 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001195797593 1053491042 /nfs/dbraw/zinc/49/10/42/1053491042.db2.gz IYKKQHSYGJWCKT-QGZVFWFLSA-N 1 1 334.504 4.437 20 30 EIEDMO C[C@@H](c1cccc2ccccc21)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877111 1053512115 /nfs/dbraw/zinc/51/21/15/1053512115.db2.gz RBWQGHVRRRUACG-AOMKIAJQSA-N 1 1 330.431 4.438 20 30 EIEDMO N#Cc1ccc(CC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000851808549 1053522189 /nfs/dbraw/zinc/52/21/89/1053522189.db2.gz IKCJUCOSWROACB-VQTJNVASSA-N 1 1 338.451 4.062 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000765424590 1053540144 /nfs/dbraw/zinc/54/01/44/1053540144.db2.gz ICOYVSCYKVXHHU-MRXNPFEDSA-N 1 1 348.918 4.485 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000765424590 1053540152 /nfs/dbraw/zinc/54/01/52/1053540152.db2.gz ICOYVSCYKVXHHU-MRXNPFEDSA-N 1 1 348.918 4.485 20 30 EIEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000852101439 1053548890 /nfs/dbraw/zinc/54/88/90/1053548890.db2.gz FJRJADUAUFJNNB-HWPZZCPQSA-N 1 1 338.238 4.496 20 30 EIEDMO CC[N@@H+](CCC(=O)OCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000776578739 1053564394 /nfs/dbraw/zinc/56/43/94/1053564394.db2.gz IHXOBQFHGMWZKW-KRWDZBQOSA-N 1 1 336.435 4.075 20 30 EIEDMO C=CC[N@@H+](Cc1cc(Cl)cc(Br)c1)[C@H](C)COC ZINC001196048076 1053570696 /nfs/dbraw/zinc/57/06/96/1053570696.db2.gz MOVIVRWWCHOMMH-LLVKDONJSA-N 1 1 332.669 4.125 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000338950447 1053599862 /nfs/dbraw/zinc/59/98/62/1053599862.db2.gz YVHGMVXFIHIKRX-UHFFFAOYSA-N 1 1 332.451 4.072 20 30 EIEDMO C=CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000338950447 1053599869 /nfs/dbraw/zinc/59/98/69/1053599869.db2.gz YVHGMVXFIHIKRX-UHFFFAOYSA-N 1 1 332.451 4.072 20 30 EIEDMO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc2ccccc2[nH]1 ZINC000866241947 1053661014 /nfs/dbraw/zinc/66/10/14/1053661014.db2.gz IGGGCCWVJUJNDA-UGSOOPFHSA-N 1 1 334.423 4.188 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000765574138 1053722463 /nfs/dbraw/zinc/72/24/63/1053722463.db2.gz FKQVSARFLWKBEP-PXNSSMCTSA-N 1 1 341.451 4.356 20 30 EIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc(C#N)c(F)c2)c2ccccn21 ZINC000776725772 1053802638 /nfs/dbraw/zinc/80/26/38/1053802638.db2.gz FKSNVEGBIKVFGR-CMDGGOBGSA-N 1 1 333.366 4.365 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936785 1053808445 /nfs/dbraw/zinc/80/84/45/1053808445.db2.gz URFIWZIAIZBTQV-NQIIRXRSSA-N 1 1 325.500 4.206 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000121231452 1053824318 /nfs/dbraw/zinc/82/43/18/1053824318.db2.gz NSFVDNZIGPZMAJ-SFHVURJKSA-N 1 1 349.478 4.210 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1coc(-c2ccccc2F)n1 ZINC001197114008 1053840659 /nfs/dbraw/zinc/84/06/59/1053840659.db2.gz DQVOOJKMQLFNOI-UHFFFAOYSA-N 1 1 335.382 4.027 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121863765 1053853792 /nfs/dbraw/zinc/85/37/92/1053853792.db2.gz QVPDUFUYSXRWIX-PKOBYXMFSA-N 1 1 342.414 4.159 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197212102 1053853990 /nfs/dbraw/zinc/85/39/90/1053853990.db2.gz GRHQTWIWPLHJIS-LJQANCHMSA-N 1 1 337.438 4.456 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130737509 1053860862 /nfs/dbraw/zinc/86/08/62/1053860862.db2.gz IVFQRZVORTWFLU-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130737509 1053860865 /nfs/dbraw/zinc/86/08/65/1053860865.db2.gz IVFQRZVORTWFLU-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C[N@H+](Cc1cnc(-c2cccs2)s1)Cc1cccc(C#N)c1 ZINC000130772332 1053871079 /nfs/dbraw/zinc/87/10/79/1053871079.db2.gz CGVBPTFEFHTWHT-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO C[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1cccc(C#N)c1 ZINC000130772332 1053871086 /nfs/dbraw/zinc/87/10/86/1053871086.db2.gz CGVBPTFEFHTWHT-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC001197283302 1053874917 /nfs/dbraw/zinc/87/49/17/1053874917.db2.gz AKRSXGVFTDIVAP-IBGZPJMESA-N 1 1 331.887 4.220 20 30 EIEDMO CCCC1(CCC)CCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001197514164 1053921577 /nfs/dbraw/zinc/92/15/77/1053921577.db2.gz JAYIISLFNPWLJI-UHFFFAOYSA-N 1 1 328.456 4.280 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130773817 1053924748 /nfs/dbraw/zinc/92/47/48/1053924748.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130773817 1053924762 /nfs/dbraw/zinc/92/47/62/1053924762.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130773817 1053924777 /nfs/dbraw/zinc/92/47/77/1053924777.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001197701714 1053975210 /nfs/dbraw/zinc/97/52/10/1053975210.db2.gz OIPDCDKYDXRZCC-QFIPXVFZSA-N 1 1 348.446 4.085 20 30 EIEDMO C#CC[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C ZINC001197931714 1054027895 /nfs/dbraw/zinc/02/78/95/1054027895.db2.gz ZINXQLYLITWCSY-UHFFFAOYSA-N 1 1 348.490 4.016 20 30 EIEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252369 1054110351 /nfs/dbraw/zinc/11/03/51/1054110351.db2.gz RWYQQVIWFNHOMC-NQUFMGSDSA-N 1 1 332.394 4.028 20 30 EIEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001198299630 1054117976 /nfs/dbraw/zinc/11/79/76/1054117976.db2.gz GXKHIANNYKGCQM-KRWDZBQOSA-N 1 1 331.872 4.265 20 30 EIEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1Cc1ccncc1C#N ZINC001198299630 1054117982 /nfs/dbraw/zinc/11/79/82/1054117982.db2.gz GXKHIANNYKGCQM-KRWDZBQOSA-N 1 1 331.872 4.265 20 30 EIEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490799 1054161528 /nfs/dbraw/zinc/16/15/28/1054161528.db2.gz KSGDAMCPFNUCIY-ZWKOTPCHSA-N 1 1 332.463 4.070 20 30 EIEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490798 1054162701 /nfs/dbraw/zinc/16/27/01/1054162701.db2.gz KSGDAMCPFNUCIY-ROUUACIJSA-N 1 1 332.463 4.070 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@]23CCOC3)cc1 ZINC001198772048 1054262246 /nfs/dbraw/zinc/26/22/46/1054262246.db2.gz XXMFFDVQJNGXSH-JOCHJYFZSA-N 1 1 332.447 4.370 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(C#N)cc1 ZINC000871934378 1054324063 /nfs/dbraw/zinc/32/40/63/1054324063.db2.gz ANCWWQDNQVXYEW-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1cccc(C#N)c1 ZINC000871934392 1054324705 /nfs/dbraw/zinc/32/47/05/1054324705.db2.gz AZIZTOLWPZNDSU-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083990 1054382692 /nfs/dbraw/zinc/38/26/92/1054382692.db2.gz GDPIUDNZWRCHSZ-ZDUSSCGKSA-N 1 1 339.370 4.336 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045972 1054409054 /nfs/dbraw/zinc/40/90/54/1054409054.db2.gz FDZXENCPTBJEPU-FOIQADDNSA-N 1 1 333.435 4.045 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872259611 1054428427 /nfs/dbraw/zinc/42/84/27/1054428427.db2.gz DSGGWNWXILJTHU-FQEVSTJZSA-N 1 1 326.484 4.411 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2c(F)cccc2F)cc(OC)c1OC ZINC000105478338 1054523980 /nfs/dbraw/zinc/52/39/80/1054523980.db2.gz ZTQXSEGHVGHGPN-UHFFFAOYSA-N 1 1 333.378 4.000 20 30 EIEDMO COc1cc(C#N)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475048 1054829390 /nfs/dbraw/zinc/82/93/90/1054829390.db2.gz QRCNEXWILSADGU-UXHICEINSA-N 1 1 345.446 4.300 20 30 EIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC001201477747 1054829769 /nfs/dbraw/zinc/82/97/69/1054829769.db2.gz KUXBMAXQZVJYIH-UXHICEINSA-N 1 1 333.410 4.430 20 30 EIEDMO C=CC[C@@H](OC(=O)Cn1c[nH+]cc1C)c1ccc(Cl)c(Cl)c1 ZINC000860735044 1054857714 /nfs/dbraw/zinc/85/77/14/1054857714.db2.gz XHRWWNNUEVJQRB-OAHLLOKOSA-N 1 1 339.222 4.359 20 30 EIEDMO CCCCCCCCCCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001201631442 1054860502 /nfs/dbraw/zinc/86/05/02/1054860502.db2.gz SMWLLSYWPHFJPZ-UHFFFAOYSA-N 1 1 337.596 4.229 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001201813629 1054911031 /nfs/dbraw/zinc/91/10/31/1054911031.db2.gz HSANYMRQJKRJJS-UHFFFAOYSA-N 1 1 327.472 4.498 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201814996 1054914133 /nfs/dbraw/zinc/91/41/33/1054914133.db2.gz VNUBXTDNQNVDEJ-UHFFFAOYSA-N 1 1 333.520 4.065 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCCCCCCCC ZINC001201853064 1054923244 /nfs/dbraw/zinc/92/32/44/1054923244.db2.gz ZWSXYVUIAIAJOT-LJQANCHMSA-N 1 1 348.535 4.058 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCCCCCCCC ZINC001201853064 1054923260 /nfs/dbraw/zinc/92/32/60/1054923260.db2.gz ZWSXYVUIAIAJOT-LJQANCHMSA-N 1 1 348.535 4.058 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001201826516 1054925368 /nfs/dbraw/zinc/92/53/68/1054925368.db2.gz ZBJPTVFERBXORU-UHFFFAOYSA-N 1 1 338.499 4.300 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001201826165 1054926187 /nfs/dbraw/zinc/92/61/87/1054926187.db2.gz OVEPZPODTDLSRA-UHFFFAOYSA-N 1 1 343.471 4.367 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(C)cc1O ZINC000825886333 1054926461 /nfs/dbraw/zinc/92/64/61/1054926461.db2.gz OFOYIVZCPQGWPD-UHFFFAOYSA-N 1 1 335.831 4.018 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562354 1054929802 /nfs/dbraw/zinc/92/98/02/1054929802.db2.gz OCWXXKLGAPKSSW-KZNAEPCWSA-N 1 1 349.519 4.038 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001201838717 1054930562 /nfs/dbraw/zinc/93/05/62/1054930562.db2.gz DVCXVISPHPFQFI-UHFFFAOYSA-N 1 1 349.519 4.264 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001201838717 1054930573 /nfs/dbraw/zinc/93/05/73/1054930573.db2.gz DVCXVISPHPFQFI-UHFFFAOYSA-N 1 1 349.519 4.264 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001201875279 1054940057 /nfs/dbraw/zinc/94/00/57/1054940057.db2.gz TXBYPMGHGOWUPQ-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001201875279 1054940065 /nfs/dbraw/zinc/94/00/65/1054940065.db2.gz TXBYPMGHGOWUPQ-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001201875306 1054941400 /nfs/dbraw/zinc/94/14/00/1054941400.db2.gz UUZQTRKJRNVIGC-UHFFFAOYSA-N 1 1 348.535 4.161 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001201875306 1054941408 /nfs/dbraw/zinc/94/14/08/1054941408.db2.gz UUZQTRKJRNVIGC-UHFFFAOYSA-N 1 1 348.535 4.161 20 30 EIEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1cc(C#N)cnc1Cl ZINC000876817992 1054961745 /nfs/dbraw/zinc/96/17/45/1054961745.db2.gz IYKPJOHQQSOQCW-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339031567 1054981632 /nfs/dbraw/zinc/98/16/32/1054981632.db2.gz KUCBKRWVMFYNOW-MRXNPFEDSA-N 1 1 326.362 4.163 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940034 1054985923 /nfs/dbraw/zinc/98/59/23/1054985923.db2.gz OOISSKXFDAXLSJ-RBBKRZOGSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940034 1054985933 /nfs/dbraw/zinc/98/59/33/1054985933.db2.gz OOISSKXFDAXLSJ-RBBKRZOGSA-N 1 1 331.463 4.016 20 30 EIEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877079970 1055014920 /nfs/dbraw/zinc/01/49/20/1055014920.db2.gz MQXRZRJGHVOZGE-KRWDZBQOSA-N 1 1 343.858 4.492 20 30 EIEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000862444911 1055068968 /nfs/dbraw/zinc/06/89/68/1055068968.db2.gz ITTWKQGYMIWVCA-CQSZACIVSA-N 1 1 346.883 4.221 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000862444911 1055068983 /nfs/dbraw/zinc/06/89/83/1055068983.db2.gz ITTWKQGYMIWVCA-CQSZACIVSA-N 1 1 346.883 4.221 20 30 EIEDMO COc1cccc2cc(C[N@H+]3CCc4c(CC#N)cccc4C3)oc21 ZINC000862542314 1055082450 /nfs/dbraw/zinc/08/24/50/1055082450.db2.gz LOLKYLKQGZPXLG-UHFFFAOYSA-N 1 1 332.403 4.066 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC001137123793 1055089192 /nfs/dbraw/zinc/08/91/92/1055089192.db2.gz DKFHWINTMXIJGB-LJQANCHMSA-N 1 1 328.362 4.204 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC001137123793 1055089207 /nfs/dbraw/zinc/08/92/07/1055089207.db2.gz DKFHWINTMXIJGB-LJQANCHMSA-N 1 1 328.362 4.204 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892787 1055146271 /nfs/dbraw/zinc/14/62/71/1055146271.db2.gz DUVQHMBRZRWGGZ-KKSFZXQISA-N 1 1 338.426 4.259 20 30 EIEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000794490241 1055147953 /nfs/dbraw/zinc/14/79/53/1055147953.db2.gz MBBOTPDTMPNTHB-UHFFFAOYSA-N 1 1 332.329 4.089 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000877916149 1055153248 /nfs/dbraw/zinc/15/32/48/1055153248.db2.gz YMDLOBKIUMBIOL-PKTZIBPZSA-N 1 1 346.474 4.134 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951910 1055160717 /nfs/dbraw/zinc/16/07/17/1055160717.db2.gz UHDJVWKKIKVVCW-VXKWHMMOSA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000877973107 1055165251 /nfs/dbraw/zinc/16/52/51/1055165251.db2.gz MHMCJOUXRWQOSW-HRAATJIYSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000877973107 1055165257 /nfs/dbraw/zinc/16/52/57/1055165257.db2.gz MHMCJOUXRWQOSW-HRAATJIYSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1cccs1)C(C)C)c1ccccc1 ZINC000877993928 1055170774 /nfs/dbraw/zinc/17/07/74/1055170774.db2.gz HJDRDUXMWSZJGJ-HXUWFJFHSA-N 1 1 340.492 4.399 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031155 1055178548 /nfs/dbraw/zinc/17/85/48/1055178548.db2.gz RIOFINUVPHUBST-NFBKMPQASA-N 1 1 346.474 4.225 20 30 EIEDMO C#CCCCCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000878232008 1055215203 /nfs/dbraw/zinc/21/52/03/1055215203.db2.gz NITSPXPGTHLQNS-UHFFFAOYSA-N 1 1 340.511 4.197 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000878807439 1055401850 /nfs/dbraw/zinc/40/18/50/1055401850.db2.gz BJORPAUXSYZRHX-MBSDFSHPSA-N 1 1 346.474 4.089 20 30 EIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000765816129 1055516636 /nfs/dbraw/zinc/51/66/36/1055516636.db2.gz HXUTWORXGNRDQJ-SCLBCKFNSA-N 1 1 326.419 4.203 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC000106245271 1055670078 /nfs/dbraw/zinc/67/00/78/1055670078.db2.gz OVMZMJXCARGOCO-QGZVFWFLSA-N 1 1 346.515 4.003 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273358703 1055781651 /nfs/dbraw/zinc/78/16/51/1055781651.db2.gz CHPCYEKXEIHZPP-CRAIPNDOSA-N 1 1 330.428 4.111 20 30 EIEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067957 1055836482 /nfs/dbraw/zinc/83/64/82/1055836482.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067957 1055836511 /nfs/dbraw/zinc/83/65/11/1055836511.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067957 1055836517 /nfs/dbraw/zinc/83/65/17/1055836517.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 1 1 333.479 4.140 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c(F)cc(C#N)cc1F ZINC000301150555 1055901429 /nfs/dbraw/zinc/90/14/29/1055901429.db2.gz OJYTUUCUZQUWKU-UHFFFAOYSA-N 1 1 329.394 4.289 20 30 EIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301152408 1055902406 /nfs/dbraw/zinc/90/24/06/1055902406.db2.gz NXZHMNXFRMQYGQ-UHFFFAOYSA-N 1 1 337.442 4.046 20 30 EIEDMO N#Cc1ccc(CNc2cc[nH+]c3cc(Br)ccc23)cc1 ZINC000301565828 1055951471 /nfs/dbraw/zinc/95/14/71/1055951471.db2.gz KNYFOOLUMMQPEZ-UHFFFAOYSA-N 1 1 338.208 4.481 20 30 EIEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301854051 1055993940 /nfs/dbraw/zinc/99/39/40/1055993940.db2.gz CGKIZBVPYWTEES-HNAYVOBHSA-N 1 1 343.833 4.456 20 30 EIEDMO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000302211618 1056032858 /nfs/dbraw/zinc/03/28/58/1056032858.db2.gz ZNBWXYGZYAEAHX-UGSOOPFHSA-N 1 1 349.400 4.030 20 30 EIEDMO N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000302271321 1056038046 /nfs/dbraw/zinc/03/80/46/1056038046.db2.gz HICJOZGVGQHLQP-WMLDXEAASA-N 1 1 349.400 4.030 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1c(C#N)cccc1C#N ZINC000302828354 1056076929 /nfs/dbraw/zinc/07/69/29/1056076929.db2.gz IQIVZJNPYNAKCC-KRWDZBQOSA-N 1 1 344.462 4.416 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000302840024 1056078355 /nfs/dbraw/zinc/07/83/55/1056078355.db2.gz ZVFZHTJZXFPCDF-QZTJIDSGSA-N 1 1 347.796 4.347 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)[C@H](C)c2ccccc2)c(C#N)c1C ZINC000428841270 1056388280 /nfs/dbraw/zinc/38/82/80/1056388280.db2.gz PRRKFKNCGXIQOG-OAHLLOKOSA-N 1 1 339.439 4.178 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615673 1056585009 /nfs/dbraw/zinc/58/50/09/1056585009.db2.gz GRQHJQQAKDMGPY-KRWDZBQOSA-N 1 1 349.478 4.449 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615673 1056585038 /nfs/dbraw/zinc/58/50/38/1056585038.db2.gz GRQHJQQAKDMGPY-KRWDZBQOSA-N 1 1 349.478 4.449 20 30 EIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001168677532 1056672125 /nfs/dbraw/zinc/67/21/25/1056672125.db2.gz OTAFPBHHVOJECI-UNMCSNQZSA-N 1 1 334.463 4.208 20 30 EIEDMO CC[N@@H+](CCc1nc(-c2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000074350240 1056683773 /nfs/dbraw/zinc/68/37/73/1056683773.db2.gz DPUJTLSSDMAXGC-MRXNPFEDSA-N 1 1 346.434 4.234 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000111310430 1056784025 /nfs/dbraw/zinc/78/40/25/1056784025.db2.gz JPSDZWNYXHTUBC-GOSISDBHSA-N 1 1 336.464 4.085 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000111310430 1056784027 /nfs/dbraw/zinc/78/40/27/1056784027.db2.gz JPSDZWNYXHTUBC-GOSISDBHSA-N 1 1 336.464 4.085 20 30 EIEDMO CCCOc1c(C[NH2+]Cc2cc(C#N)ccc2F)cccc1OCC ZINC000742381857 1058585377 /nfs/dbraw/zinc/58/53/77/1058585377.db2.gz OIODYWUCHJZREA-UHFFFAOYSA-N 1 1 342.414 4.175 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743260818 1058903729 /nfs/dbraw/zinc/90/37/29/1058903729.db2.gz JURPHLPYMRDQSC-LJQANCHMSA-N 1 1 328.843 4.157 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000743473119 1059019992 /nfs/dbraw/zinc/01/99/92/1059019992.db2.gz BSDQCMWXHIADKN-OAHLLOKOSA-N 1 1 333.391 4.095 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000744405168 1059470139 /nfs/dbraw/zinc/47/01/39/1059470139.db2.gz DYJUBQGCEKJASG-INIZCTEOSA-N 1 1 328.378 4.001 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000744405168 1059470166 /nfs/dbraw/zinc/47/01/66/1059470166.db2.gz DYJUBQGCEKJASG-INIZCTEOSA-N 1 1 328.378 4.001 20 30 EIEDMO CCN(CC)c1ccc(C=[NH+]Cc2nc3ccc(C)cc3[nH]2)c(O)c1 ZINC000745976592 1059944318 /nfs/dbraw/zinc/94/43/18/1059944318.db2.gz KQIHVDYLOIQYNG-MTJSOVHGSA-N 1 1 336.439 4.042 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000191464855 1060190779 /nfs/dbraw/zinc/19/07/79/1060190779.db2.gz HVXIXJJTPAHAOP-MRXNPFEDSA-N 1 1 329.488 4.002 20 30 EIEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001168992587 1060569479 /nfs/dbraw/zinc/56/94/79/1060569479.db2.gz GHAKRYSQJDWYKT-JOCHJYFZSA-N 1 1 347.506 4.272 20 30 EIEDMO CCN(Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001168992587 1060569497 /nfs/dbraw/zinc/56/94/97/1060569497.db2.gz GHAKRYSQJDWYKT-JOCHJYFZSA-N 1 1 347.506 4.272 20 30 EIEDMO CCN(Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992587 1060569518 /nfs/dbraw/zinc/56/95/18/1060569518.db2.gz GHAKRYSQJDWYKT-JOCHJYFZSA-N 1 1 347.506 4.272 20 30 EIEDMO C=C(C)[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471834 1060833740 /nfs/dbraw/zinc/83/37/40/1060833740.db2.gz CXHCAKQQIQFALP-FQEVSTJZSA-N 1 1 330.422 4.304 20 30 EIEDMO C=C(C)[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471834 1060833742 /nfs/dbraw/zinc/83/37/42/1060833742.db2.gz CXHCAKQQIQFALP-FQEVSTJZSA-N 1 1 330.422 4.304 20 30 EIEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787169 1060968286 /nfs/dbraw/zinc/96/82/86/1060968286.db2.gz DDTAUEXLVWWFSO-FQEVSTJZSA-N 1 1 326.484 4.112 20 30 EIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC001211975936 1032270136 /nfs/dbraw/zinc/27/01/36/1032270136.db2.gz UUJCRODALXBIKO-ROUUACIJSA-N 1 1 343.471 4.123 20 30 EIEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000245501014 1032275448 /nfs/dbraw/zinc/27/54/48/1032275448.db2.gz BOKMYOZJDUHMFH-KKSFZXQISA-N 1 1 336.435 4.323 20 30 EIEDMO CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000508624110 1032284054 /nfs/dbraw/zinc/28/40/54/1032284054.db2.gz DEICVQSNQSBWBC-UHFFFAOYSA-N 1 1 348.425 4.500 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000172864445 1032337800 /nfs/dbraw/zinc/33/78/00/1032337800.db2.gz FWQUCBYOAFRTJQ-HRCADAONSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000172864445 1032337813 /nfs/dbraw/zinc/33/78/13/1032337813.db2.gz FWQUCBYOAFRTJQ-HRCADAONSA-N 1 1 345.512 4.140 20 30 EIEDMO COCc1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641090 1032501951 /nfs/dbraw/zinc/50/19/51/1032501951.db2.gz BJPRYNFSXBXCIW-MJGOQNOKSA-N 1 1 349.478 4.027 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475734545 1032543085 /nfs/dbraw/zinc/54/30/85/1032543085.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 1 1 339.527 4.304 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475734545 1032543088 /nfs/dbraw/zinc/54/30/88/1032543088.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 1 1 339.527 4.304 20 30 EIEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600974 1032567145 /nfs/dbraw/zinc/56/71/45/1032567145.db2.gz XOUWHHKZXOZRCL-LLVKDONJSA-N 1 1 329.391 4.035 20 30 EIEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600974 1032567149 /nfs/dbraw/zinc/56/71/49/1032567149.db2.gz XOUWHHKZXOZRCL-LLVKDONJSA-N 1 1 329.391 4.035 20 30 EIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000533256715 1032570557 /nfs/dbraw/zinc/57/05/57/1032570557.db2.gz ODPIQAPWQMTRQU-KRWDZBQOSA-N 1 1 345.512 4.383 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)C(C)C ZINC000533256569 1032569392 /nfs/dbraw/zinc/56/93/92/1032569392.db2.gz SDRYIXQZKZJBOC-JKSUJKDBSA-N 1 1 347.528 4.243 20 30 EIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000533301371 1032629834 /nfs/dbraw/zinc/62/98/34/1032629834.db2.gz ATMHDNXVOADSNY-HNNXBMFYSA-N 1 1 333.501 4.097 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000455249455 1032779562 /nfs/dbraw/zinc/77/95/62/1032779562.db2.gz QMLPQLOGSNZMKI-SFHVURJKSA-N 1 1 343.515 4.487 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000339523158 1019066749 /nfs/dbraw/zinc/06/67/49/1019066749.db2.gz RKXLNTZHOVTDQJ-UHFFFAOYSA-N 1 1 334.341 4.076 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512449363 1032805550 /nfs/dbraw/zinc/80/55/50/1032805550.db2.gz FXQGBYRKMYZDOS-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512449363 1032805551 /nfs/dbraw/zinc/80/55/51/1032805551.db2.gz FXQGBYRKMYZDOS-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO C=CC(C)(C)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001266291359 1019458095 /nfs/dbraw/zinc/45/80/95/1019458095.db2.gz CWIIPHWUSYYYGW-HKUYNNGSSA-N 1 1 328.500 4.006 20 30 EIEDMO C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1ccc(C#N)cc1 ZINC000157567322 1019462241 /nfs/dbraw/zinc/46/22/41/1019462241.db2.gz IUVQEOSGXIRGJQ-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1ccc(C#N)cc1 ZINC000157567322 1019462257 /nfs/dbraw/zinc/46/22/57/1019462257.db2.gz IUVQEOSGXIRGJQ-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2[nH]nc(C)c2C)C(C)(C)C)cc1 ZINC001204430525 1019795949 /nfs/dbraw/zinc/79/59/49/1019795949.db2.gz JBXFNMPWOUHIIM-UHFFFAOYSA-N 1 1 327.472 4.392 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(F)c(F)c1 ZINC000274882055 1019828738 /nfs/dbraw/zinc/82/87/38/1019828738.db2.gz NJQDDJOWYOLFGU-CQSZACIVSA-N 1 1 327.325 4.043 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC1CC1 ZINC000533495109 1019909578 /nfs/dbraw/zinc/90/95/78/1019909578.db2.gz UIIOBDSYENVWRM-OAHLLOKOSA-N 1 1 345.512 4.140 20 30 EIEDMO CCOc1ccccc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000180039139 1020036392 /nfs/dbraw/zinc/03/63/92/1020036392.db2.gz ZOZUVKQFQOBKLV-UHFFFAOYSA-N 1 1 338.451 4.400 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000091901564 1032904030 /nfs/dbraw/zinc/90/40/30/1032904030.db2.gz KPQILHSDMHEKPB-CYBMUJFWSA-N 1 1 326.362 4.142 20 30 EIEDMO CC[N@@H+](CCCCOc1ccc(Br)cc1)C[C@H](C)C#N ZINC001167251808 1020673867 /nfs/dbraw/zinc/67/38/67/1020673867.db2.gz KUIMGRNXSSWJQJ-CQSZACIVSA-N 1 1 339.277 4.090 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609592 1020704485 /nfs/dbraw/zinc/70/44/85/1020704485.db2.gz BCANKNIHVFTOEY-MOPGFXCFSA-N 1 1 348.531 4.147 20 30 EIEDMO COCC[N@H+](CC#Cc1ccccc1Cl)CCCc1ccccc1 ZINC001167270160 1020743294 /nfs/dbraw/zinc/74/32/94/1020743294.db2.gz DMXRXRFEJGFQKA-UHFFFAOYSA-N 1 1 341.882 4.273 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000121173924 1020749428 /nfs/dbraw/zinc/74/94/28/1020749428.db2.gz QANYBWWDDBTXSS-OAHLLOKOSA-N 1 1 331.847 4.008 20 30 EIEDMO Cc1ccccc1CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167318691 1021074665 /nfs/dbraw/zinc/07/46/65/1021074665.db2.gz PZJHCRCHPVLRJS-UHFFFAOYSA-N 1 1 333.479 4.012 20 30 EIEDMO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000376045289 1021323880 /nfs/dbraw/zinc/32/38/80/1021323880.db2.gz NLAHCVHORINREG-RBUKOAKNSA-N 1 1 340.398 4.293 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001266555709 1021366125 /nfs/dbraw/zinc/36/61/25/1021366125.db2.gz RKNCSYGFMKJRDV-HSALFYBXSA-N 1 1 340.511 4.006 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000180028972 1021374809 /nfs/dbraw/zinc/37/48/09/1021374809.db2.gz LTNSFHCLMBPALK-UHFFFAOYSA-N 1 1 328.419 4.113 20 30 EIEDMO CC1CC[NH+](Cc2ccccc2CNCc2cc(C#N)cs2)CC1 ZINC000177685543 1021440084 /nfs/dbraw/zinc/44/00/84/1021440084.db2.gz SEUKKWVMNRWZCV-UHFFFAOYSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000610367484 1021543091 /nfs/dbraw/zinc/54/30/91/1021543091.db2.gz JORDGSQCKKTUAO-FHLIZLRMSA-N 1 1 336.439 4.009 20 30 EIEDMO C=CC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(OC)cc1 ZINC000340587657 1021605132 /nfs/dbraw/zinc/60/51/32/1021605132.db2.gz DHPQGLCVKXRGEV-UHFFFAOYSA-N 1 1 333.435 4.069 20 30 EIEDMO C=CC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(OC)cc1 ZINC000340587657 1021605151 /nfs/dbraw/zinc/60/51/51/1021605151.db2.gz DHPQGLCVKXRGEV-UHFFFAOYSA-N 1 1 333.435 4.069 20 30 EIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000610389871 1021714093 /nfs/dbraw/zinc/71/40/93/1021714093.db2.gz KBPYIZUHJWQJJD-UHFFFAOYSA-N 1 1 343.496 4.038 20 30 EIEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379997 1021889967 /nfs/dbraw/zinc/88/99/67/1021889967.db2.gz HNZQKCGBANLOBU-CTNGQTDRSA-N 1 1 347.474 4.016 20 30 EIEDMO C[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431814111 1021895557 /nfs/dbraw/zinc/89/55/57/1021895557.db2.gz OHDVWTIIEXEMFC-RHSMWYFYSA-N 1 1 340.858 4.072 20 30 EIEDMO C[N@@H+](Cc1ccccc1NCc1nc(C#N)cs1)C1CCCCC1 ZINC000582389475 1021947328 /nfs/dbraw/zinc/94/73/28/1021947328.db2.gz NAWMIDRVLNRSSY-UHFFFAOYSA-N 1 1 340.496 4.391 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)CC1CCCCC1 ZINC001167392984 1021973619 /nfs/dbraw/zinc/97/36/19/1021973619.db2.gz YSMGDROVFGXDAT-UHFFFAOYSA-N 1 1 344.499 4.482 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000472562680 1022258619 /nfs/dbraw/zinc/25/86/19/1022258619.db2.gz IWMAXBNOTAQASZ-QFBILLFUSA-N 1 1 327.472 4.081 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCC2CC2)cc1 ZINC000580636166 1022330894 /nfs/dbraw/zinc/33/08/94/1022330894.db2.gz HRPRTBHIUNETCX-UHFFFAOYSA-N 1 1 341.451 4.139 20 30 EIEDMO C=CCCCN(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893197921 1022659697 /nfs/dbraw/zinc/65/96/97/1022659697.db2.gz DZSBFDFAFFWKHA-AEFFLSMTSA-N 1 1 349.544 4.129 20 30 EIEDMO Cc1oc(C2CC[NH+](Cc3ccc(C#N)o3)CC2)nc1-c1ccccc1 ZINC000378344593 1022713720 /nfs/dbraw/zinc/71/37/20/1022713720.db2.gz ASSJSUCVBUFRDL-UHFFFAOYSA-N 1 1 347.418 4.494 20 30 EIEDMO CCCn1nc(C)c(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000160723347 1022794180 /nfs/dbraw/zinc/79/41/80/1022794180.db2.gz ZKRATHUXCQPXEY-ZHACJKMWSA-N 1 1 348.450 4.300 20 30 EIEDMO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000581051444 1022814715 /nfs/dbraw/zinc/81/47/15/1022814715.db2.gz LXKMHNVJKTZZOJ-OAQYLSRUSA-N 1 1 346.434 4.016 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444917 1022822950 /nfs/dbraw/zinc/82/29/50/1022822950.db2.gz YVRNDROJHKWWTN-XYJFISCASA-N 1 1 339.508 4.181 20 30 EIEDMO N#Cc1cc(Cl)ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278806185 1022881607 /nfs/dbraw/zinc/88/16/07/1022881607.db2.gz IBLKVYNIVWFONV-UHFFFAOYSA-N 1 1 340.858 4.128 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156980314 1022926449 /nfs/dbraw/zinc/92/64/49/1022926449.db2.gz RFTVCYXMHBKKLV-GCJKJVERSA-N 1 1 333.479 4.043 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388156273 1023082212 /nfs/dbraw/zinc/08/22/12/1023082212.db2.gz HNOIRCVQDXMPRD-FQEVSTJZSA-N 1 1 327.516 4.303 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000512542927 1033107489 /nfs/dbraw/zinc/10/74/89/1033107489.db2.gz XCRBRNBFEGQNMS-AWEZNQCLSA-N 1 1 328.481 4.123 20 30 EIEDMO N#CC1(CCC[N@H+]2CCC[C@@H](c3ccccc3)CC2)CCOCC1 ZINC000376624987 1023251359 /nfs/dbraw/zinc/25/13/59/1023251359.db2.gz BIBGLUKWRNBIMY-HXUWFJFHSA-N 1 1 326.484 4.357 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)cc1 ZINC001203413160 1023274415 /nfs/dbraw/zinc/27/44/15/1023274415.db2.gz RFPQBWKXPWJCLU-MRXNPFEDSA-N 1 1 344.817 4.394 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)cc1 ZINC001203413160 1023274421 /nfs/dbraw/zinc/27/44/21/1023274421.db2.gz RFPQBWKXPWJCLU-MRXNPFEDSA-N 1 1 344.817 4.394 20 30 EIEDMO COc1cc(F)c(F)cc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001143394517 1023303861 /nfs/dbraw/zinc/30/38/61/1023303861.db2.gz FPYSUVGXWKPFLR-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccco1 ZINC000236629697 1023346448 /nfs/dbraw/zinc/34/64/48/1023346448.db2.gz XIZONLFGQWNNKQ-LPHOPBHVSA-N 1 1 342.439 4.074 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1C#N ZINC000728688798 1023394525 /nfs/dbraw/zinc/39/45/25/1023394525.db2.gz XYAYNYZRYIFFIK-UHFFFAOYSA-N 1 1 325.431 4.174 20 30 EIEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226005 1023400147 /nfs/dbraw/zinc/40/01/47/1023400147.db2.gz VERWFQBAFFFUCE-RDJZCZTQSA-N 1 1 347.890 4.097 20 30 EIEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000362569808 1023470911 /nfs/dbraw/zinc/47/09/11/1023470911.db2.gz PBXUBOQCFYJPAK-IAQYHMDHSA-N 1 1 338.224 4.072 20 30 EIEDMO Cc1cc(C)c(C#N)c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000477170315 1023470817 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CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000342257845 1025637302 /nfs/dbraw/zinc/63/73/02/1025637302.db2.gz XPVDNRBZRPBCFJ-UHFFFAOYSA-N 1 1 329.469 4.120 20 30 EIEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc(C#N)c1 ZINC000512066792 1025870290 /nfs/dbraw/zinc/87/02/90/1025870290.db2.gz ISNCWBXWLUCZPJ-UHFFFAOYSA-N 1 1 336.826 4.048 20 30 EIEDMO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc(C#N)c1 ZINC000512066792 1025870292 /nfs/dbraw/zinc/87/02/92/1025870292.db2.gz ISNCWBXWLUCZPJ-UHFFFAOYSA-N 1 1 336.826 4.048 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000303162919 1026083647 /nfs/dbraw/zinc/08/36/47/1026083647.db2.gz HYTQCMNGMYOPBN-UHFFFAOYSA-N 1 1 332.447 4.438 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572018 /nfs/dbraw/zinc/57/20/18/1026572018.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512245168 1026572065 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EIEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)CCC1 ZINC001167984703 1026702248 /nfs/dbraw/zinc/70/22/48/1026702248.db2.gz WGSSWJGDQJFSTR-IBGZPJMESA-N 1 1 330.447 4.015 20 30 EIEDMO CCCCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000507221625 1026709128 /nfs/dbraw/zinc/70/91/28/1026709128.db2.gz MHZWZSAQXALXTO-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](Cc2cccc(C#N)c2)C(C)(C)C)c1 ZINC000507251385 1026717770 /nfs/dbraw/zinc/71/77/70/1026717770.db2.gz HGXORYCEHMEGST-UHFFFAOYSA-N 1 1 338.451 4.376 20 30 EIEDMO N#Cc1cccc(OCCC[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000127914294 1026819300 /nfs/dbraw/zinc/81/93/00/1026819300.db2.gz DRJJJEMOGHVUAM-IBGZPJMESA-N 1 1 349.459 4.163 20 30 EIEDMO COc1ncc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000342696407 1026855970 /nfs/dbraw/zinc/85/59/70/1026855970.db2.gz IUFAPVNRPZIGAS-CXAGYDPISA-N 1 1 329.831 4.439 20 30 EIEDMO Cc1[nH+]ccn1CCCSc1nc(-c2ccccc2)ccc1C#N ZINC000342702729 1026863333 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20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCCCC)c(OC)c2)CC1 ZINC000106246336 1027696804 /nfs/dbraw/zinc/69/68/04/1027696804.db2.gz WKSSUBJZZSAKMD-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000582933259 1027712844 /nfs/dbraw/zinc/71/28/44/1027712844.db2.gz APNZGOGEBBOVFP-OAHLLOKOSA-N 1 1 335.879 4.097 20 30 EIEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000161895698 1027752070 /nfs/dbraw/zinc/75/20/70/1027752070.db2.gz FOLANLOSIKDIRC-MRXNPFEDSA-N 1 1 337.423 4.041 20 30 EIEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000161895698 1027752091 /nfs/dbraw/zinc/75/20/91/1027752091.db2.gz FOLANLOSIKDIRC-MRXNPFEDSA-N 1 1 337.423 4.041 20 30 EIEDMO CC(C)C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccn1 ZINC000896664725 1027777621 /nfs/dbraw/zinc/77/76/21/1027777621.db2.gz KQNPHMXWQNMPTE-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000328752012 1027803837 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N#Cc1ccccc1OCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000523583032 1028244903 /nfs/dbraw/zinc/24/49/03/1028244903.db2.gz QYVNFZVEUVKHJC-KRWDZBQOSA-N 1 1 326.827 4.080 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000330306560 1028363880 /nfs/dbraw/zinc/36/38/80/1028363880.db2.gz ROIYRHZTXQNWIL-GFCCVEGCSA-N 1 1 336.386 4.353 20 30 EIEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000330306560 1028363899 /nfs/dbraw/zinc/36/38/99/1028363899.db2.gz ROIYRHZTXQNWIL-GFCCVEGCSA-N 1 1 336.386 4.353 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000330306560 1028363917 /nfs/dbraw/zinc/36/39/17/1028363917.db2.gz ROIYRHZTXQNWIL-GFCCVEGCSA-N 1 1 336.386 4.353 20 30 EIEDMO COc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1OCCCC#N ZINC000346331682 1028389031 /nfs/dbraw/zinc/38/90/31/1028389031.db2.gz MAMNTPIEGAEACU-KRWDZBQOSA-N 1 1 328.456 4.166 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000346537320 1028488724 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COc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)ccc1C#N ZINC000440812898 1028749547 /nfs/dbraw/zinc/74/95/47/1028749547.db2.gz WYKKNDQWIIAAHM-UHFFFAOYSA-N 1 1 343.839 4.120 20 30 EIEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000728569735 1028866207 /nfs/dbraw/zinc/86/62/07/1028866207.db2.gz KUCIVRLGIFPYSG-RXVVDRJESA-N 1 1 338.426 4.297 20 30 EIEDMO CC[N@H+](CCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000157497505 1029052494 /nfs/dbraw/zinc/05/24/94/1029052494.db2.gz FULOGNGNVSDDSF-UHFFFAOYSA-N 1 1 342.270 4.194 20 30 EIEDMO CC[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000157497505 1029052513 /nfs/dbraw/zinc/05/25/13/1029052513.db2.gz FULOGNGNVSDDSF-UHFFFAOYSA-N 1 1 342.270 4.194 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1)C(C)C ZINC000246925640 1029203260 /nfs/dbraw/zinc/20/32/60/1029203260.db2.gz ICAYQJYDZIFUID-UTKZUKDTSA-N 1 1 341.499 4.119 20 30 EIEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000524801806 1029230344 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COCC[N@H+](Cc1cccn1CCC(C)C)Cc1ccc(C#N)cc1 ZINC000508577360 1029629163 /nfs/dbraw/zinc/62/91/63/1029629163.db2.gz GSMUBVUNKKWQOB-UHFFFAOYSA-N 1 1 339.483 4.054 20 30 EIEDMO COCC[N@@H+](Cc1cccn1CCC(C)C)Cc1ccc(C#N)cc1 ZINC000508577360 1029629172 /nfs/dbraw/zinc/62/91/72/1029629172.db2.gz GSMUBVUNKKWQOB-UHFFFAOYSA-N 1 1 339.483 4.054 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000525422834 1029633450 /nfs/dbraw/zinc/63/34/50/1029633450.db2.gz YDGFJGCGBCIVSP-NRFANRHFSA-N 1 1 338.451 4.275 20 30 EIEDMO C=C(C)C[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000584140072 1029639589 /nfs/dbraw/zinc/63/95/89/1029639589.db2.gz PHYFVBZOZQZDDQ-ONEGZZNKSA-N 1 1 333.378 4.142 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640851 1029719516 /nfs/dbraw/zinc/71/95/16/1029719516.db2.gz FIGDLTJFEBYVJZ-OALUTQOASA-N 1 1 330.447 4.257 20 30 EIEDMO CC[C@@H](C#N)Oc1cc(CNc2cc[nH+]cc2Cl)ccc1OC ZINC000301521265 1029748926 /nfs/dbraw/zinc/74/89/26/1029748926.db2.gz NNFCBRPGPOABGQ-ZDUSSCGKSA-N 1 1 331.803 4.037 20 30 EIEDMO C#CCCCCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301629035 1029778289 /nfs/dbraw/zinc/77/82/89/1029778289.db2.gz HYLLNCWDWAOEBA-UHFFFAOYSA-N 1 1 342.512 4.119 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC(F)(F)F)c1 ZINC000428345747 1029793552 /nfs/dbraw/zinc/79/35/52/1029793552.db2.gz GDARTSSBSYUOBL-NSHDSACASA-N 1 1 338.304 4.447 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871337 /nfs/dbraw/zinc/87/13/37/1029871337.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871338 /nfs/dbraw/zinc/87/13/38/1029871338.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871456 /nfs/dbraw/zinc/87/14/56/1029871456.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871459 /nfs/dbraw/zinc/87/14/59/1029871459.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[N@@H+](CCCCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441230121 1029931386 /nfs/dbraw/zinc/93/13/86/1029931386.db2.gz JKQMQKRSCDQFGX-UHFFFAOYSA-N 1 1 346.434 4.063 20 30 EIEDMO C=CCC1(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CCCCC1 ZINC000450828323 1030018305 /nfs/dbraw/zinc/01/83/05/1030018305.db2.gz JXBXKBTVOQBVBK-QGZVFWFLSA-N 1 1 341.499 4.062 20 30 EIEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000184083956 1030050036 /nfs/dbraw/zinc/05/00/36/1030050036.db2.gz SURUMVPLCGYAIX-INIZCTEOSA-N 1 1 336.464 4.383 20 30 EIEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000447392829 1030057760 /nfs/dbraw/zinc/05/77/60/1030057760.db2.gz CNAAOFJJQRBUNS-ZDUSSCGKSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956441 1030133464 /nfs/dbraw/zinc/13/34/64/1030133464.db2.gz IESYAXFUFDGJLN-NEWSRXKRSA-N 1 1 332.875 4.117 20 30 EIEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958353 1030134460 /nfs/dbraw/zinc/13/44/60/1030134460.db2.gz MYYGVAFEHCPPSO-FHWLQOOXSA-N 1 1 332.875 4.117 20 30 EIEDMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956444 1030135587 /nfs/dbraw/zinc/13/55/87/1030135587.db2.gz IESYAXFUFDGJLN-UHOSZYNNSA-N 1 1 332.875 4.117 20 30 EIEDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000447532586 1030136599 /nfs/dbraw/zinc/13/65/99/1030136599.db2.gz UZFHAEGVUAOQRZ-ZWKOTPCHSA-N 1 1 337.471 4.068 20 30 EIEDMO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000447559590 1030167361 /nfs/dbraw/zinc/16/73/61/1030167361.db2.gz ABRMQURRENYQCC-NRFANRHFSA-N 1 1 325.500 4.396 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724546 1030239537 /nfs/dbraw/zinc/23/95/37/1030239537.db2.gz MYMZTKZSTXDNKI-HOCLYGCPSA-N 1 1 340.389 4.369 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148569 1030274257 /nfs/dbraw/zinc/27/42/57/1030274257.db2.gz QQHYYVLATTXBRA-OUCADQQQSA-N 1 1 326.362 4.118 20 30 EIEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)c1C ZINC000451373497 1030455281 /nfs/dbraw/zinc/45/52/81/1030455281.db2.gz IUTNECSVVDPVIA-UHFFFAOYSA-N 1 1 337.467 4.140 20 30 EIEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccccc2C(C)(C)C#N)c1C ZINC000451373497 1030455302 /nfs/dbraw/zinc/45/53/02/1030455302.db2.gz IUTNECSVVDPVIA-UHFFFAOYSA-N 1 1 337.467 4.140 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4cnccc43)CC2)cc1 ZINC000611961414 1030483861 /nfs/dbraw/zinc/48/38/61/1030483861.db2.gz XRHKODJSDXJNQZ-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO CC[N@@H+]1CC=C(c2cnc(NCCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC001167678498 1030487390 /nfs/dbraw/zinc/48/73/90/1030487390.db2.gz LAZWSGZGSGDSAZ-UHFFFAOYSA-N 1 1 346.478 4.025 20 30 EIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961057 1030591133 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EIEDMO COc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000255733901 1031057808 /nfs/dbraw/zinc/05/78/08/1031057808.db2.gz RWUCMZOOJFMZTP-OQFOIZHKSA-N 1 1 336.366 4.225 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000531343072 1031118090 /nfs/dbraw/zinc/11/80/90/1031118090.db2.gz OYESRUXVWGKLJS-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000531343072 1031118114 /nfs/dbraw/zinc/11/81/14/1031118114.db2.gz OYESRUXVWGKLJS-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000612405580 1031488044 /nfs/dbraw/zinc/48/80/44/1031488044.db2.gz AMHWRXHCUURPSK-OAQYLSRUSA-N 1 1 330.435 4.151 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000612405580 1031488058 /nfs/dbraw/zinc/48/80/58/1031488058.db2.gz AMHWRXHCUURPSK-OAQYLSRUSA-N 1 1 330.435 4.151 20 30 EIEDMO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CC(C)(C)C#N ZINC000612587951 1031683524 /nfs/dbraw/zinc/68/35/24/1031683524.db2.gz IHDZINZHZDMBDQ-UHFFFAOYSA-N 1 1 344.890 4.463 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000135287697 1032025618 /nfs/dbraw/zinc/02/56/18/1032025618.db2.gz XDVBIQSFUFMGIA-HKUYNNGSSA-N 1 1 338.451 4.169 20 30 EIEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573537562 1033382775 /nfs/dbraw/zinc/38/27/75/1033382775.db2.gz RXCUDTOILISFNX-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000429840648 1033407744 /nfs/dbraw/zinc/40/77/44/1033407744.db2.gz VUGMYEMFCCAWCJ-QGZVFWFLSA-N 1 1 328.500 4.137 20 30 EIEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000512621522 1033510335 /nfs/dbraw/zinc/51/03/35/1033510335.db2.gz YWWBYZITDVHYEE-VOJFVSQTSA-N 1 1 334.341 4.014 20 30 EIEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169717 1033559221 /nfs/dbraw/zinc/55/92/21/1033559221.db2.gz LYLGKNNHFQKBPA-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169717 1033559227 /nfs/dbraw/zinc/55/92/27/1033559227.db2.gz LYLGKNNHFQKBPA-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169717 1033559234 /nfs/dbraw/zinc/55/92/34/1033559234.db2.gz LYLGKNNHFQKBPA-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000614170620 1033575012 /nfs/dbraw/zinc/57/50/12/1033575012.db2.gz HVFIILHCYYZFAE-UHFFFAOYSA-N 1 1 326.390 4.324 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000614170620 1033575037 /nfs/dbraw/zinc/57/50/37/1033575037.db2.gz HVFIILHCYYZFAE-UHFFFAOYSA-N 1 1 326.390 4.324 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000614171180 1033575846 /nfs/dbraw/zinc/57/58/46/1033575846.db2.gz DYEORURWMGDKCJ-QFIPXVFZSA-N 1 1 348.490 4.321 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000614176900 1033595482 /nfs/dbraw/zinc/59/54/82/1033595482.db2.gz CIQHOSXQGZULNU-JOCHJYFZSA-N 1 1 348.490 4.261 20 30 EIEDMO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512647855 1033605115 /nfs/dbraw/zinc/60/51/15/1033605115.db2.gz KAPAIKHSPQRVBW-INIZCTEOSA-N 1 1 339.458 4.390 20 30 EIEDMO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654745 1033629065 /nfs/dbraw/zinc/62/90/65/1033629065.db2.gz OJGVVDQZNJLLNR-IXDOHACOSA-N 1 1 331.479 4.106 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000433016283 1033660155 /nfs/dbraw/zinc/66/01/55/1033660155.db2.gz PCOVJFVSUZVAEE-SFHVURJKSA-N 1 1 345.349 4.398 20 30 EIEDMO C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666372 1033660475 /nfs/dbraw/zinc/66/04/75/1033660475.db2.gz KFCLFVRTQPUUEI-KBXCAEBGSA-N 1 1 343.471 4.247 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccccc1 ZINC000433020431 1033666188 /nfs/dbraw/zinc/66/61/88/1033666188.db2.gz RWSQDPOVQBPMOW-HNNXBMFYSA-N 1 1 338.436 4.323 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433291818 1034182876 /nfs/dbraw/zinc/18/28/76/1034182876.db2.gz XIRXORPUWMQKDY-OAHLLOKOSA-N 1 1 335.289 4.253 20 30 EIEDMO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)CC(C)(C)C#N ZINC000433321742 1034225387 /nfs/dbraw/zinc/22/53/87/1034225387.db2.gz ONJPIBFISXAXFE-UHFFFAOYSA-N 1 1 333.888 4.462 20 30 EIEDMO C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)CC(C)(C)C#N ZINC000433321742 1034225401 /nfs/dbraw/zinc/22/54/01/1034225401.db2.gz ONJPIBFISXAXFE-UHFFFAOYSA-N 1 1 333.888 4.462 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419334064 1034325071 /nfs/dbraw/zinc/32/50/71/1034325071.db2.gz UYWJHSQQBDSWNB-DLBZAZTESA-N 1 1 338.455 4.255 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000513384985 1034913342 /nfs/dbraw/zinc/91/33/42/1034913342.db2.gz RZMSLTZDSVXBBN-IBGZPJMESA-N 1 1 333.435 4.048 20 30 EIEDMO CC1([N@@H+](Cc2ccc(C#N)o2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000513457063 1034957545 /nfs/dbraw/zinc/95/75/45/1034957545.db2.gz UJXHXGGGDPPKIF-UHFFFAOYSA-N 1 1 338.407 4.215 20 30 EIEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000664212322 1035067088 /nfs/dbraw/zinc/06/70/88/1035067088.db2.gz IJCIOZYQJJIMPP-WBVHZDCISA-N 1 1 349.544 4.175 20 30 EIEDMO CCC[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)cc1 ZINC000047740129 1035253943 /nfs/dbraw/zinc/25/39/43/1035253943.db2.gz DELPFRWVGZFMFB-UHFFFAOYSA-N 1 1 338.436 4.082 20 30 EIEDMO CCC[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)cc1 ZINC000047740129 1035253957 /nfs/dbraw/zinc/25/39/57/1035253957.db2.gz DELPFRWVGZFMFB-UHFFFAOYSA-N 1 1 338.436 4.082 20 30 EIEDMO N#CC1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981437 1035513032 /nfs/dbraw/zinc/51/30/32/1035513032.db2.gz PPHVZLGERFAKES-FQEVSTJZSA-N 1 1 337.511 4.247 20 30 EIEDMO N#CC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981437 1035513061 /nfs/dbraw/zinc/51/30/61/1035513061.db2.gz PPHVZLGERFAKES-FQEVSTJZSA-N 1 1 337.511 4.247 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCCCC1 ZINC000594995908 1035524478 /nfs/dbraw/zinc/52/44/78/1035524478.db2.gz VIZNXVGYDDMRDE-UHFFFAOYSA-N 1 1 335.451 4.224 20 30 EIEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(Cl)c1OC ZINC000594995354 1035524773 /nfs/dbraw/zinc/52/47/73/1035524773.db2.gz ONTGLRKKJYOHAH-UHFFFAOYSA-N 1 1 336.863 4.311 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)Cc1cccs1 ZINC000485076408 1035661552 /nfs/dbraw/zinc/66/15/52/1035661552.db2.gz UTBOLCOFNFQHHQ-OAHLLOKOSA-N 1 1 348.537 4.235 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000595384717 1035668935 /nfs/dbraw/zinc/66/89/35/1035668935.db2.gz OXNMCJIGXNLGPO-IBGZPJMESA-N 1 1 331.419 4.469 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000595503851 1035689892 /nfs/dbraw/zinc/68/98/92/1035689892.db2.gz WYMKMRUWCOJMBY-MRXNPFEDSA-N 1 1 345.368 4.352 20 30 EIEDMO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593023024 1035691531 /nfs/dbraw/zinc/69/15/31/1035691531.db2.gz NOSSLAKSCDUPNY-INIZCTEOSA-N 1 1 342.446 4.219 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618245 1035737836 /nfs/dbraw/zinc/73/78/36/1035737836.db2.gz ZSJUYAHRNUOUEZ-KSZLIROESA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618245 1035737854 /nfs/dbraw/zinc/73/78/54/1035737854.db2.gz ZSJUYAHRNUOUEZ-KSZLIROESA-N 1 1 349.478 4.031 20 30 EIEDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000595600560 1035743811 /nfs/dbraw/zinc/74/38/11/1035743811.db2.gz IDOCNZICELWZOT-MRXNPFEDSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000595600560 1035743829 /nfs/dbraw/zinc/74/38/29/1035743829.db2.gz IDOCNZICELWZOT-MRXNPFEDSA-N 1 1 339.464 4.012 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595615076 1035752983 /nfs/dbraw/zinc/75/29/83/1035752983.db2.gz OWQZZWRTUPWUPV-JHBSALDVSA-N 1 1 333.273 4.478 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595841202 1035798358 /nfs/dbraw/zinc/79/83/58/1035798358.db2.gz SJVSWKPMMYXREW-NRFANRHFSA-N 1 1 349.434 4.043 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595841202 1035798379 /nfs/dbraw/zinc/79/83/79/1035798379.db2.gz SJVSWKPMMYXREW-NRFANRHFSA-N 1 1 349.434 4.043 20 30 EIEDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000491065886 1035800163 /nfs/dbraw/zinc/80/01/63/1035800163.db2.gz MHTJFEXSNNNRTH-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000491065886 1035800166 /nfs/dbraw/zinc/80/01/66/1035800166.db2.gz MHTJFEXSNNNRTH-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1F ZINC000593125808 1035800993 /nfs/dbraw/zinc/80/09/93/1035800993.db2.gz ODMUDRNWJNTXLF-UFYCRDLUSA-N 1 1 336.410 4.192 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1F ZINC000593125808 1035800994 /nfs/dbraw/zinc/80/09/94/1035800994.db2.gz ODMUDRNWJNTXLF-UFYCRDLUSA-N 1 1 336.410 4.192 20 30 EIEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(C)(C)C#N)cc1 ZINC000586773501 1035834794 /nfs/dbraw/zinc/83/47/94/1035834794.db2.gz OTDSMOVDDJOPML-UHFFFAOYSA-N 1 1 337.423 4.070 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000060208225 1035898373 /nfs/dbraw/zinc/89/83/73/1035898373.db2.gz OSVBPMBUTAFVIL-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO C=CCSc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000485493187 1035937466 /nfs/dbraw/zinc/93/74/66/1035937466.db2.gz PXCCHVCTGZXKKH-INIZCTEOSA-N 1 1 346.540 4.205 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccsc1 ZINC000421018282 1035976898 /nfs/dbraw/zinc/97/68/98/1035976898.db2.gz WPUQTCCTIFPCAQ-OAHLLOKOSA-N 1 1 341.480 4.420 20 30 EIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)c1 ZINC000571450641 1036050181 /nfs/dbraw/zinc/05/01/81/1036050181.db2.gz DGEABSFJTLZSNA-OAQYLSRUSA-N 1 1 342.446 4.177 20 30 EIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1N1CCCC1 ZINC000596980508 1036061494 /nfs/dbraw/zinc/06/14/94/1036061494.db2.gz PMTJUMFLCWKGHA-UHFFFAOYSA-N 1 1 345.490 4.474 20 30 EIEDMO C=C(C)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000597086090 1036100417 /nfs/dbraw/zinc/10/04/17/1036100417.db2.gz LURMOIVGUUVNMG-UHFFFAOYSA-N 1 1 339.414 4.404 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173168 1036140085 /nfs/dbraw/zinc/14/00/85/1036140085.db2.gz GQDPZDJYJYUGNE-CQSZACIVSA-N 1 1 348.372 4.017 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597174329 1036141459 /nfs/dbraw/zinc/14/14/59/1036141459.db2.gz OWWWBWWSQYDMMJ-GOSISDBHSA-N 1 1 348.494 4.351 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OCCC(C)C ZINC000597173629 1036144191 /nfs/dbraw/zinc/14/41/91/1036144191.db2.gz LIULVEDIOJTUKW-QGZVFWFLSA-N 1 1 330.472 4.246 20 30 EIEDMO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000597228784 1036162209 /nfs/dbraw/zinc/16/22/09/1036162209.db2.gz GINVPLKOUMXCOG-OAQYLSRUSA-N 1 1 336.435 4.106 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000597228784 1036162224 /nfs/dbraw/zinc/16/22/24/1036162224.db2.gz GINVPLKOUMXCOG-OAQYLSRUSA-N 1 1 336.435 4.106 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cc2)CC1 ZINC000597222132 1036169136 /nfs/dbraw/zinc/16/91/36/1036169136.db2.gz URVBNSTVHUXNTA-HXUWFJFHSA-N 1 1 348.446 4.188 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000502471478 1036233108 /nfs/dbraw/zinc/23/31/08/1036233108.db2.gz ZZASDVRNVGISIX-MOPGFXCFSA-N 1 1 336.479 4.249 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000502471478 1036233129 /nfs/dbraw/zinc/23/31/29/1036233129.db2.gz ZZASDVRNVGISIX-MOPGFXCFSA-N 1 1 336.479 4.249 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000502455674 1036236951 /nfs/dbraw/zinc/23/69/51/1036236951.db2.gz LCZCUVYNFXBUEG-HNNXBMFYSA-N 1 1 328.843 4.355 20 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/nfs/dbraw/zinc/65/84/77/1036658477.db2.gz OMTRWAPQSVMBSL-KRWDZBQOSA-N 1 1 348.837 4.144 20 30 EIEDMO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[C@@H]1C#N ZINC000602979251 1036687626 /nfs/dbraw/zinc/68/76/26/1036687626.db2.gz BIVGKDCLFIJKRK-MLGOLLRUSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[C@@H]1C#N ZINC000602979251 1036687643 /nfs/dbraw/zinc/68/76/43/1036687643.db2.gz BIVGKDCLFIJKRK-MLGOLLRUSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[C@@H]1C#N ZINC000602979252 1036688592 /nfs/dbraw/zinc/68/85/92/1036688592.db2.gz BIVGKDCLFIJKRK-WBMJQRKESA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[C@@H]1C#N ZINC000602979252 1036688599 /nfs/dbraw/zinc/68/85/99/1036688599.db2.gz BIVGKDCLFIJKRK-WBMJQRKESA-N 1 1 344.256 4.121 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000165298900 1036757837 /nfs/dbraw/zinc/75/78/37/1036757837.db2.gz AUJFPJGRGBCERP-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1 ZINC000486772833 1036847396 /nfs/dbraw/zinc/84/73/96/1036847396.db2.gz DIKBWKOSFGAQAO-AWEZNQCLSA-N 1 1 339.464 4.246 20 30 EIEDMO C=CCOc1ccc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589637006 1036856077 /nfs/dbraw/zinc/85/60/77/1036856077.db2.gz XOPDCAHICOWXJL-INIZCTEOSA-N 1 1 336.907 4.259 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486795439 1036857309 /nfs/dbraw/zinc/85/73/09/1036857309.db2.gz COQLFUCTGUVCQT-HXUWFJFHSA-N 1 1 336.435 4.221 20 30 EIEDMO Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1C#N ZINC000599304220 1036941636 /nfs/dbraw/zinc/94/16/36/1036941636.db2.gz KEVDVAZNLGDQMI-STQMWFEESA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000599330379 1036955783 /nfs/dbraw/zinc/95/57/83/1036955783.db2.gz LMTUYBURZDSHBP-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000599330379 1036955792 /nfs/dbraw/zinc/95/57/92/1036955792.db2.gz LMTUYBURZDSHBP-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487089008 1036979164 /nfs/dbraw/zinc/97/91/64/1036979164.db2.gz RMYWGWIHHFSYEO-LJQANCHMSA-N 1 1 343.515 4.342 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)c(Br)c1 ZINC000590192983 1037008733 /nfs/dbraw/zinc/00/87/33/1037008733.db2.gz KIAOWNVFPHHWMF-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585082 1037084908 /nfs/dbraw/zinc/08/49/08/1037084908.db2.gz WXETWNZHQUUNMI-CZUORRHYSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585082 1037084930 /nfs/dbraw/zinc/08/49/30/1037084930.db2.gz WXETWNZHQUUNMI-CZUORRHYSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585083 1037086338 /nfs/dbraw/zinc/08/63/38/1037086338.db2.gz WXETWNZHQUUNMI-XJKSGUPXSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585083 1037086351 /nfs/dbraw/zinc/08/63/51/1037086351.db2.gz WXETWNZHQUUNMI-XJKSGUPXSA-N 1 1 348.874 4.011 20 30 EIEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000272071026 1037091894 /nfs/dbraw/zinc/09/18/94/1037091894.db2.gz YYNHUOHBTILRTK-SFHVURJKSA-N 1 1 328.481 4.224 20 30 EIEDMO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](C)CCC#N)C3)cs1 ZINC000590595587 1037114555 /nfs/dbraw/zinc/11/45/55/1037114555.db2.gz QQJJJDJIFRMUKB-GFCCVEGCSA-N 1 1 331.510 4.478 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000599653300 1037119053 /nfs/dbraw/zinc/11/90/53/1037119053.db2.gz TUSIXQOEKZTQCE-LGWLGOQQSA-N 1 1 333.273 4.319 20 30 EIEDMO N#Cc1c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cn2ccccc12 ZINC000590614380 1037119401 /nfs/dbraw/zinc/11/94/01/1037119401.db2.gz WLXGKIWIWSMMTD-UHFFFAOYSA-N 1 1 331.394 4.239 20 30 EIEDMO N#Cc1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cn2ccccc12 ZINC000590614380 1037119407 /nfs/dbraw/zinc/11/94/07/1037119407.db2.gz WLXGKIWIWSMMTD-UHFFFAOYSA-N 1 1 331.394 4.239 20 30 EIEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000590754308 1037154573 /nfs/dbraw/zinc/15/45/73/1037154573.db2.gz UZPHTXKDAIGGBB-UHFFFAOYSA-N 1 1 337.467 4.140 20 30 EIEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000590754308 1037154584 /nfs/dbraw/zinc/15/45/84/1037154584.db2.gz UZPHTXKDAIGGBB-UHFFFAOYSA-N 1 1 337.467 4.140 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000590758581 1037156779 /nfs/dbraw/zinc/15/67/79/1037156779.db2.gz LBYYGZMUQPDSBC-UXHICEINSA-N 1 1 338.495 4.269 20 30 EIEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1SC(F)(F)F ZINC000272490630 1037200772 /nfs/dbraw/zinc/20/07/72/1037200772.db2.gz CCTBHSVCJUEWCP-UHFFFAOYSA-N 1 1 344.402 4.433 20 30 EIEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000604483151 1037395964 /nfs/dbraw/zinc/39/59/64/1037395964.db2.gz AQFYBYFNDDREOV-MRXNPFEDSA-N 1 1 349.453 4.113 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000129731666 1037447071 /nfs/dbraw/zinc/44/70/71/1037447071.db2.gz ROWVYIWGXBQMCV-OAHLLOKOSA-N 1 1 339.439 4.016 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000129731666 1037447081 /nfs/dbraw/zinc/44/70/81/1037447081.db2.gz ROWVYIWGXBQMCV-OAHLLOKOSA-N 1 1 339.439 4.016 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000157409093 1037493038 /nfs/dbraw/zinc/49/30/38/1037493038.db2.gz ZQBRATFPHZCMDJ-QWHCGFSZSA-N 1 1 328.435 4.369 20 30 EIEDMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H](C#N)CCC#N ZINC000591743591 1037562871 /nfs/dbraw/zinc/56/28/71/1037562871.db2.gz LLUGVZGRKRNKNW-RHSMWYFYSA-N 1 1 333.863 4.469 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000488727518 1037723695 /nfs/dbraw/zinc/72/36/95/1037723695.db2.gz OHROBCBLGTVOCH-IBGZPJMESA-N 1 1 339.483 4.322 20 30 EIEDMO N#Cc1cnccc1C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000592123285 1037735621 /nfs/dbraw/zinc/73/56/21/1037735621.db2.gz SHIZQHGNSLUROF-KRWDZBQOSA-N 1 1 347.340 4.093 20 30 EIEDMO N#Cc1cnccc1C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000592123292 1037736003 /nfs/dbraw/zinc/73/60/03/1037736003.db2.gz SHIZQHGNSLUROF-QGZVFWFLSA-N 1 1 347.340 4.093 20 30 EIEDMO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397186 1037764319 /nfs/dbraw/zinc/76/43/19/1037764319.db2.gz XMBYHBRABZPKLU-GOSISDBHSA-N 1 1 343.515 4.100 20 30 EIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000058525517 1037833120 /nfs/dbraw/zinc/83/31/20/1037833120.db2.gz BBKSPTALTZOYEQ-LJQANCHMSA-N 1 1 345.446 4.027 20 30 EIEDMO C=CCn1cccc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000489052556 1037844792 /nfs/dbraw/zinc/84/47/92/1037844792.db2.gz OUOZKVQRMHGVDJ-UHFFFAOYSA-N 1 1 348.450 4.295 20 30 EIEDMO C=C1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001127209096 1037883241 /nfs/dbraw/zinc/88/32/41/1037883241.db2.gz RXTDUIJVPUDSRG-UYAOXDASSA-N 1 1 340.511 4.150 20 30 EIEDMO C=C1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001127209093 1037884116 /nfs/dbraw/zinc/88/41/16/1037884116.db2.gz RXTDUIJVPUDSRG-AZUAARDMSA-N 1 1 340.511 4.150 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCCO2)cc1 ZINC000503947423 1038017507 /nfs/dbraw/zinc/01/75/07/1038017507.db2.gz VGNAXUJLUHIJHX-NRFANRHFSA-N 1 1 338.426 4.269 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000150769881 1038054354 /nfs/dbraw/zinc/05/43/54/1038054354.db2.gz BVZMFOZLRLZTRO-IAGOWNOFSA-N 1 1 342.483 4.003 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489458471 1038054656 /nfs/dbraw/zinc/05/46/56/1038054656.db2.gz DPBNHXNSEVKMTA-QGZVFWFLSA-N 1 1 342.464 4.137 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489458471 1038054668 /nfs/dbraw/zinc/05/46/68/1038054668.db2.gz DPBNHXNSEVKMTA-QGZVFWFLSA-N 1 1 342.464 4.137 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461691 1038061308 /nfs/dbraw/zinc/06/13/08/1038061308.db2.gz WVEDUGUBHRRSIA-OAHLLOKOSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461691 1038061330 /nfs/dbraw/zinc/06/13/30/1038061330.db2.gz WVEDUGUBHRRSIA-OAHLLOKOSA-N 1 1 344.480 4.368 20 30 EIEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744459 1038065574 /nfs/dbraw/zinc/06/55/74/1038065574.db2.gz IHDRGXTVRATQQA-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744459 1038065595 /nfs/dbraw/zinc/06/55/95/1038065595.db2.gz IHDRGXTVRATQQA-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489476489 1038070681 /nfs/dbraw/zinc/07/06/81/1038070681.db2.gz NGBUQTBKNQWKGB-CQSZACIVSA-N 1 1 337.345 4.296 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489476489 1038070706 /nfs/dbraw/zinc/07/07/06/1038070706.db2.gz NGBUQTBKNQWKGB-CQSZACIVSA-N 1 1 337.345 4.296 20 30 EIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000592501482 1038092650 /nfs/dbraw/zinc/09/26/50/1038092650.db2.gz BZOAFIWUVBWGDI-FQEVSTJZSA-N 1 1 345.450 4.061 20 30 EIEDMO N#CC1(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCC1 ZINC000593654725 1038115905 /nfs/dbraw/zinc/11/59/05/1038115905.db2.gz LJYQTCMRCFLFJC-UHFFFAOYSA-N 1 1 333.407 4.262 20 30 EIEDMO COc1ccc2cc(C[N@H+](C)Cc3ccc(F)cc3C#N)ccc2c1 ZINC000489626635 1038169088 /nfs/dbraw/zinc/16/90/88/1038169088.db2.gz XKOBPVVGJQKLRF-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(F)cc3C#N)ccc2c1 ZINC000489626635 1038169106 /nfs/dbraw/zinc/16/91/06/1038169106.db2.gz XKOBPVVGJQKLRF-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020036 1038213677 /nfs/dbraw/zinc/21/36/77/1038213677.db2.gz UOHUDDLMVMHJNO-UHFFFAOYSA-N 1 1 346.409 4.020 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(-c4ccoc4)n3)CCC2)cc1 ZINC000594031526 1038228950 /nfs/dbraw/zinc/22/89/50/1038228950.db2.gz HVBGEKDCVPQHQH-UHFFFAOYSA-N 1 1 335.432 4.444 20 30 EIEDMO COc1cccc2c(NCc3ccc(C#N)c(OC)c3)c(C)c[nH+]c12 ZINC000574494315 1038294716 /nfs/dbraw/zinc/29/47/16/1038294716.db2.gz ZHWLUSXBDLXZSE-UHFFFAOYSA-N 1 1 333.391 4.044 20 30 EIEDMO C=CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000606897674 1038297331 /nfs/dbraw/zinc/29/73/31/1038297331.db2.gz SCMNUXSUIUYTOS-UHFFFAOYSA-N 1 1 339.414 4.404 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000594571174 1038375016 /nfs/dbraw/zinc/37/50/16/1038375016.db2.gz QOMZCTYTHYNJSC-ZDUSSCGKSA-N 1 1 347.434 4.441 20 30 EIEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000063508366 1038408915 /nfs/dbraw/zinc/40/89/15/1038408915.db2.gz SXYYTFUIYHOLNX-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCCC[C@H]3c3ccco3)o2)c1 ZINC000075750094 1038425816 /nfs/dbraw/zinc/42/58/16/1038425816.db2.gz BLOGTZFEWDJWNU-KRWDZBQOSA-N 1 1 348.406 4.319 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCCC[C@H]3c3ccco3)o2)c1 ZINC000075750094 1038425842 /nfs/dbraw/zinc/42/58/42/1038425842.db2.gz BLOGTZFEWDJWNU-KRWDZBQOSA-N 1 1 348.406 4.319 20 30 EIEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)co2)cc1 ZINC000594929001 1038429727 /nfs/dbraw/zinc/42/97/27/1038429727.db2.gz IXGMUOMYLHRBEI-UHFFFAOYSA-N 1 1 343.430 4.495 20 30 EIEDMO Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C(C)C)s1 ZINC000063565065 1038435697 /nfs/dbraw/zinc/43/56/97/1038435697.db2.gz UEZSLZOPUIIHIC-UHFFFAOYSA-N 1 1 341.480 4.167 20 30 EIEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814804 1038455417 /nfs/dbraw/zinc/45/54/17/1038455417.db2.gz JZGISHNQOSTAMD-XJKSGUPXSA-N 1 1 333.863 4.051 20 30 EIEDMO CC(C)([NH2+]Cc1cscc1Br)c1cccc(C#N)c1 ZINC000594968644 1038482614 /nfs/dbraw/zinc/48/26/14/1038482614.db2.gz LSSBAJLXKGPYOK-UHFFFAOYSA-N 1 1 335.270 4.407 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3ccsc3Br)cc2)CC1 ZINC000594940841 1038505663 /nfs/dbraw/zinc/50/56/63/1038505663.db2.gz NJKGDVHSXDAVNB-UHFFFAOYSA-N 1 1 347.281 4.356 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](Cc2ccccc2)c2ccc(C)c(C)c2)nn1 ZINC000424298675 1038775798 /nfs/dbraw/zinc/77/57/98/1038775798.db2.gz SYVAQRDKNUBXTC-JOCHJYFZSA-N 1 1 346.478 4.155 20 30 EIEDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000612422673 1038825515 /nfs/dbraw/zinc/82/55/15/1038825515.db2.gz TVRSDXFTENHNCJ-DJJJIMSYSA-N 1 1 340.398 4.270 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075766212 1038843326 /nfs/dbraw/zinc/84/33/26/1038843326.db2.gz LZIOGCYEOARVIE-GOSISDBHSA-N 1 1 338.455 4.399 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2C1 ZINC000462020512 1038874220 /nfs/dbraw/zinc/87/42/20/1038874220.db2.gz NCFJZPFQHNOQIV-HNNXBMFYSA-N 1 1 333.435 4.026 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2C1 ZINC000462020512 1038874223 /nfs/dbraw/zinc/87/42/23/1038874223.db2.gz NCFJZPFQHNOQIV-HNNXBMFYSA-N 1 1 333.435 4.026 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000555174429 1038930816 /nfs/dbraw/zinc/93/08/16/1038930816.db2.gz QVJIDEGXRGKEGE-HXUWFJFHSA-N 1 1 340.511 4.151 20 30 EIEDMO C=CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000119682709 1038989494 /nfs/dbraw/zinc/98/94/94/1038989494.db2.gz RKKHTAXUOAIYJZ-ZDUSSCGKSA-N 1 1 331.847 4.273 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1csc(C(=O)OCC)n1)c1ccccc1 ZINC000539358958 1038993953 /nfs/dbraw/zinc/99/39/53/1038993953.db2.gz ZAXUUGYNDFVKDZ-MRXNPFEDSA-N 1 1 330.453 4.117 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424710339 1039031964 /nfs/dbraw/zinc/03/19/64/1039031964.db2.gz PXFBRGMFJKIBKZ-JOCHJYFZSA-N 1 1 340.511 4.103 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1)C1CC1 ZINC000505213548 1039120296 /nfs/dbraw/zinc/12/02/96/1039120296.db2.gz OCEQUCPOXXIUKX-UHFFFAOYSA-N 1 1 341.499 4.073 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632671 1039274275 /nfs/dbraw/zinc/27/42/75/1039274275.db2.gz JSBMGIMEGFJXGV-SFTDATJTSA-N 1 1 344.462 4.283 20 30 EIEDMO C=CCC[C@H](NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccco1 ZINC000552245198 1039311502 /nfs/dbraw/zinc/31/15/02/1039311502.db2.gz UVVPOVHDDAYXFM-IBGZPJMESA-N 1 1 346.515 4.300 20 30 EIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100613 1039340698 /nfs/dbraw/zinc/34/06/98/1039340698.db2.gz OQSWIJCBZXIPLT-CQSZACIVSA-N 1 1 335.373 4.328 20 30 EIEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)OCC ZINC000534404440 1039392586 /nfs/dbraw/zinc/39/25/86/1039392586.db2.gz BIEUDBLHTFHLQM-FXAWDEMLSA-N 1 1 344.499 4.371 20 30 EIEDMO C=CC[N@H+](CCCO[C@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000513963044 1039423335 /nfs/dbraw/zinc/42/33/35/1039423335.db2.gz KCUPVKUEXNZUDR-INIZCTEOSA-N 1 1 329.893 4.323 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000481612575 1039624445 /nfs/dbraw/zinc/62/44/45/1039624445.db2.gz MVNDBASLEOCOMO-KZULUSFZSA-N 1 1 348.368 4.338 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000093101300 1039632324 /nfs/dbraw/zinc/63/23/24/1039632324.db2.gz JZPGTAPZZGLUBM-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000093101300 1039632335 /nfs/dbraw/zinc/63/23/35/1039632335.db2.gz JZPGTAPZZGLUBM-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO COCC[N@@H+](Cc1ccc(F)cc1Cl)CC(C)(C)CCC#N ZINC000093276225 1039648071 /nfs/dbraw/zinc/64/80/71/1039648071.db2.gz RQAAQGAAZTZDFO-UHFFFAOYSA-N 1 1 326.843 4.257 20 30 EIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000534729807 1039743850 /nfs/dbraw/zinc/74/38/50/1039743850.db2.gz VCSUKOKEZPVAJZ-FPOVZHCZSA-N 1 1 341.499 4.001 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000093819526 1039759174 /nfs/dbraw/zinc/75/91/74/1039759174.db2.gz FNKOZZGGPUGTQQ-UHFFFAOYSA-N 1 1 329.271 4.118 20 30 EIEDMO CC[C@H](C[N@@H+](CC)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481744657 1039807982 /nfs/dbraw/zinc/80/79/82/1039807982.db2.gz BSDFRLJWLHCTCK-GOSISDBHSA-N 1 1 349.478 4.403 20 30 EIEDMO N#C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000430119661 1039846263 /nfs/dbraw/zinc/84/62/63/1039846263.db2.gz GDIIFWQLTLUTEH-PKTZIBPZSA-N 1 1 339.442 4.488 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCCC[C@H]2c2cccn2C)cc(OC)c1O ZINC000537659891 1039873319 /nfs/dbraw/zinc/87/33/19/1039873319.db2.gz QBLVQIKCNFUHPV-IBGZPJMESA-N 1 1 340.467 4.195 20 30 EIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000434849663 1039885992 /nfs/dbraw/zinc/88/59/92/1039885992.db2.gz GDNYHLBNZMMLJC-TZIWHRDSSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000434849663 1039885995 /nfs/dbraw/zinc/88/59/95/1039885995.db2.gz GDNYHLBNZMMLJC-TZIWHRDSSA-N 1 1 348.446 4.042 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC000281924190 1039887908 /nfs/dbraw/zinc/88/79/08/1039887908.db2.gz HMUXKIRTPFAPMF-UHFFFAOYSA-N 1 1 340.389 4.238 20 30 EIEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(C(C)(C)C)cc1 ZINC000535063045 1039902689 /nfs/dbraw/zinc/90/26/89/1039902689.db2.gz IOTPEHOFDBSMSQ-UHFFFAOYSA-N 1 1 332.451 4.135 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000478953885 1040040645 /nfs/dbraw/zinc/04/06/45/1040040645.db2.gz CZVHDZNAUJDRJV-CQSZACIVSA-N 1 1 333.353 4.456 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482165093 1040054149 /nfs/dbraw/zinc/05/41/49/1040054149.db2.gz ADDRQOHLZBWVLF-UHFFFAOYSA-N 1 1 344.458 4.215 20 30 EIEDMO C=CCC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000435097492 1040064024 /nfs/dbraw/zinc/06/40/24/1040064024.db2.gz GYPQBHGABMXHHX-UYAOXDASSA-N 1 1 343.515 4.114 20 30 EIEDMO C=CCC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000435096723 1040066972 /nfs/dbraw/zinc/06/69/72/1040066972.db2.gz XUPISNXGHRKSGW-NXEWRWPSSA-N 1 1 341.499 4.008 20 30 EIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000535212813 1040071069 /nfs/dbraw/zinc/07/10/69/1040071069.db2.gz QUGXZMFZQURMRL-UHFFFAOYSA-N 1 1 346.474 4.291 20 30 EIEDMO CCCCCCCOc1ccc(-c2noc(C3([NH3+])CC(F)C3)n2)cc1 ZINC001212121653 1040107044 /nfs/dbraw/zinc/10/70/44/1040107044.db2.gz HADQDQMYOBXBDP-UHFFFAOYSA-N 1 1 347.434 4.372 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc2c(c(OC)c1)OCO2)c1ccc(F)c(F)c1 ZINC000479401251 1040303439 /nfs/dbraw/zinc/30/34/39/1040303439.db2.gz FGMWFCXCMDMUEL-SFHVURJKSA-N 1 1 347.361 4.109 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc(OC)c1O ZINC000482512687 1040317565 /nfs/dbraw/zinc/31/75/65/1040317565.db2.gz WCAMXAJQZQKVNH-SWLSCSKDSA-N 1 1 343.389 4.292 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(F)c(F)c1 ZINC000479404850 1040327262 /nfs/dbraw/zinc/32/72/62/1040327262.db2.gz BPHKOTYNHITNBY-LJQANCHMSA-N 1 1 327.378 4.328 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000425366702 1040341769 /nfs/dbraw/zinc/34/17/69/1040341769.db2.gz QKVNIJDMECDJRU-HNNXBMFYSA-N 1 1 336.435 4.396 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000425368369 1040351455 /nfs/dbraw/zinc/35/14/55/1040351455.db2.gz WIGCWXWKZYBAOQ-ZDUSSCGKSA-N 1 1 338.842 4.291 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000425368369 1040351475 /nfs/dbraw/zinc/35/14/75/1040351475.db2.gz WIGCWXWKZYBAOQ-ZDUSSCGKSA-N 1 1 338.842 4.291 20 30 EIEDMO Cc1c(Br)cccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000535581908 1040385500 /nfs/dbraw/zinc/38/55/00/1040385500.db2.gz BDDWDWJLNIYMOG-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO COCc1cccc(OCC2(C[N@@H+](C[C@@H](C)C#N)C3CC3)CCC2)c1 ZINC000539447343 1040450178 /nfs/dbraw/zinc/45/01/78/1040450178.db2.gz UMSRFLQYUGBNIR-KRWDZBQOSA-N 1 1 342.483 4.006 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(OCC)cc2)cc(OC)c1O ZINC000505706158 1040459676 /nfs/dbraw/zinc/45/96/76/1040459676.db2.gz MTZKYRLQRARZBA-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000482964334 1040610045 /nfs/dbraw/zinc/61/00/45/1040610045.db2.gz SAFLQFSSIUMWFC-LBPRGKRZSA-N 1 1 349.659 4.200 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000505038325 1040781718 /nfs/dbraw/zinc/78/17/18/1040781718.db2.gz ILWRPYKJCKEKBN-UHFFFAOYSA-N 1 1 337.467 4.059 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000539835798 1040831196 /nfs/dbraw/zinc/83/11/96/1040831196.db2.gz JDSUZHOZLVEWSH-UHFFFAOYSA-N 1 1 342.277 4.254 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000539850580 1040840771 /nfs/dbraw/zinc/84/07/71/1040840771.db2.gz XQGDTCANGMSBJM-BEFAXECRSA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000539850580 1040840778 /nfs/dbraw/zinc/84/07/78/1040840778.db2.gz XQGDTCANGMSBJM-BEFAXECRSA-N 1 1 329.465 4.275 20 30 EIEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000460668308 1040855341 /nfs/dbraw/zinc/85/53/41/1040855341.db2.gz KUEZXRSCROMEMT-UHFFFAOYSA-N 1 1 348.450 4.081 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000539924092 1040908189 /nfs/dbraw/zinc/90/81/89/1040908189.db2.gz OGROITLIRHRAGJ-UHFFFAOYSA-N 1 1 328.415 4.123 20 30 EIEDMO C[C@H]1C[C@H](N(C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934923 1041071497 /nfs/dbraw/zinc/07/14/97/1041071497.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 1 1 332.491 4.023 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000484062618 1041113238 /nfs/dbraw/zinc/11/32/38/1041113238.db2.gz CVLVPXNZYZKVNV-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO CCc1ccccc1NC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741274 1041128358 /nfs/dbraw/zinc/12/83/58/1041128358.db2.gz HAYFLFFMALHDLB-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO CCc1ccccc1NC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741274 1041128375 /nfs/dbraw/zinc/12/83/75/1041128375.db2.gz HAYFLFFMALHDLB-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164207 1041152327 /nfs/dbraw/zinc/15/23/27/1041152327.db2.gz QXHKKPNWKJXQRI-ROUUACIJSA-N 1 1 348.494 4.197 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533123 1041164771 /nfs/dbraw/zinc/16/47/71/1041164771.db2.gz KJVZSIFJXZPCGB-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533123 1041164796 /nfs/dbraw/zinc/16/47/96/1041164796.db2.gz KJVZSIFJXZPCGB-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO C[C@H]1C[C@H](CCNc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000436399872 1041204054 /nfs/dbraw/zinc/20/40/54/1041204054.db2.gz JWWGSDVLKMJJFA-HKUYNNGSSA-N 1 1 344.462 4.143 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000463068513 1041312783 /nfs/dbraw/zinc/31/27/83/1041312783.db2.gz HERQNGBMPSTQDD-AWEZNQCLSA-N 1 1 343.833 4.234 20 30 EIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857412 1041320015 /nfs/dbraw/zinc/32/00/15/1041320015.db2.gz UIIUVXFCOGASEP-CQSZACIVSA-N 1 1 343.833 4.234 20 30 EIEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000540284477 1041340101 /nfs/dbraw/zinc/34/01/01/1041340101.db2.gz FZKGXGQCWCGRCN-UHFFFAOYSA-N 1 1 339.405 4.134 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463211393 1041423709 /nfs/dbraw/zinc/42/37/09/1041423709.db2.gz PUBFPFVXHKMXFS-GUDVDZBRSA-N 1 1 332.875 4.117 20 30 EIEDMO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000463214925 1041426378 /nfs/dbraw/zinc/42/63/78/1041426378.db2.gz NFAHHUVNORPVDS-MISYRCLQSA-N 1 1 331.887 4.097 20 30 EIEDMO CCOC(=O)C1CCC([N@@H+](CC)CC#Cc2ccccc2Cl)CC1 ZINC000554859616 1041459035 /nfs/dbraw/zinc/45/90/35/1041459035.db2.gz COWHWNYGNSNMJX-UHFFFAOYSA-N 1 1 347.886 4.135 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(Br)c1 ZINC000480753527 1041512160 /nfs/dbraw/zinc/51/21/60/1041512160.db2.gz ZMEYHSRRKAFOCU-INIZCTEOSA-N 1 1 341.252 4.310 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901544 1041556338 /nfs/dbraw/zinc/55/63/38/1041556338.db2.gz SRHWNIDABMPOQX-GOSISDBHSA-N 1 1 334.463 4.389 20 30 EIEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000516668257 1041696226 /nfs/dbraw/zinc/69/62/26/1041696226.db2.gz TWTWNMDXVDSJBU-QHCPKHFHSA-N 1 1 348.490 4.456 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000516737837 1041721878 /nfs/dbraw/zinc/72/18/78/1041721878.db2.gz JXABKFOFCLIDJJ-MRXNPFEDSA-N 1 1 328.456 4.240 20 30 EIEDMO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000540976118 1041761176 /nfs/dbraw/zinc/76/11/76/1041761176.db2.gz SZDQMOBIKMPHOJ-AWEZNQCLSA-N 1 1 339.414 4.287 20 30 EIEDMO COc1c(F)cc(F)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001143563102 1041792909 /nfs/dbraw/zinc/79/29/09/1041792909.db2.gz MUXCIMJJAGUBJP-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437428283 1041799249 /nfs/dbraw/zinc/79/92/49/1041799249.db2.gz DENSEDQQZBMUMY-UHFFFAOYSA-N 1 1 334.391 4.409 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437428283 1041799256 /nfs/dbraw/zinc/79/92/56/1041799256.db2.gz DENSEDQQZBMUMY-UHFFFAOYSA-N 1 1 334.391 4.409 20 30 EIEDMO CC[NH+](CC)CCCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000541086423 1041805509 /nfs/dbraw/zinc/80/55/09/1041805509.db2.gz LYIPIPXPXIHXRY-UHFFFAOYSA-N 1 1 331.479 4.031 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000541328105 1041893953 /nfs/dbraw/zinc/89/39/53/1041893953.db2.gz XYSYIEBLUAEJBG-IBGZPJMESA-N 1 1 326.827 4.059 20 30 EIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894209 1041953033 /nfs/dbraw/zinc/95/30/33/1041953033.db2.gz HHQCTMAUSXETQV-GJZGRUSLSA-N 1 1 340.439 4.266 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000438128282 1042058469 /nfs/dbraw/zinc/05/84/69/1042058469.db2.gz OCSIQYNPYZMSPH-VABKMULXSA-N 1 1 346.474 4.442 20 30 EIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517530279 1042067705 /nfs/dbraw/zinc/06/77/05/1042067705.db2.gz NQYNCIRTEGFSPW-KRWDZBQOSA-N 1 1 347.462 4.273 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000464582758 1042068327 /nfs/dbraw/zinc/06/83/27/1042068327.db2.gz PTPGTTVZEVNKIP-QGZVFWFLSA-N 1 1 342.483 4.041 20 30 EIEDMO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](C)C#N)c1 ZINC000541764642 1042098528 /nfs/dbraw/zinc/09/85/28/1042098528.db2.gz JFCORPJBRIJXNX-INIZCTEOSA-N 1 1 348.425 4.236 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000464658536 1042110542 /nfs/dbraw/zinc/11/05/42/1042110542.db2.gz VXEFQKBOYUMTIN-ZWKOTPCHSA-N 1 1 328.500 4.280 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)cc1 ZINC000464769593 1042149498 /nfs/dbraw/zinc/14/94/98/1042149498.db2.gz CUCJCOWLOUUJRZ-QFIPXVFZSA-N 1 1 334.463 4.090 20 30 EIEDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000464771665 1042150353 /nfs/dbraw/zinc/15/03/53/1042150353.db2.gz GJIJRLIALMEPAX-SFHVURJKSA-N 1 1 333.863 4.052 20 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/nfs/dbraw/zinc/19/98/80/1042199880.db2.gz KLZIRSWPGZYOGA-CYBMUJFWSA-N 1 1 342.464 4.298 20 30 EIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000383073383 1042215690 /nfs/dbraw/zinc/21/56/90/1042215690.db2.gz QPXHDFSTEBJVSD-QGZVFWFLSA-N 1 1 339.870 4.170 20 30 EIEDMO Clc1cccc(C#CC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000438651258 1042299750 /nfs/dbraw/zinc/29/97/50/1042299750.db2.gz SEUYHZJTQIVWSE-UHFFFAOYSA-N 1 1 347.849 4.357 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000518007686 1042305653 /nfs/dbraw/zinc/30/56/53/1042305653.db2.gz NMOWHJGHJIICGE-MRXNPFEDSA-N 1 1 347.384 4.295 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC000518020139 1042315746 /nfs/dbraw/zinc/31/57/46/1042315746.db2.gz RNGSOWBKTDHMSQ-CVEARBPZSA-N 1 1 340.414 4.437 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(F)ccc2n1CC ZINC000491387266 1042434607 /nfs/dbraw/zinc/43/46/07/1042434607.db2.gz XYYYKVANIZUAFJ-UHFFFAOYSA-N 1 1 327.403 4.019 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(F)ccc2n1CC ZINC000491387266 1042434610 /nfs/dbraw/zinc/43/46/10/1042434610.db2.gz XYYYKVANIZUAFJ-UHFFFAOYSA-N 1 1 327.403 4.019 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(CC)cccc1CC ZINC000491410803 1042443330 /nfs/dbraw/zinc/44/33/30/1042443330.db2.gz RUNLEQNOKLYHIE-UHFFFAOYSA-N 1 1 340.467 4.074 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(CC)cccc1CC ZINC000491410803 1042443334 /nfs/dbraw/zinc/44/33/34/1042443334.db2.gz RUNLEQNOKLYHIE-UHFFFAOYSA-N 1 1 340.467 4.074 20 30 EIEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000439072877 1042485716 /nfs/dbraw/zinc/48/57/16/1042485716.db2.gz ADUACOAAEQJQQJ-UHFFFAOYSA-N 1 1 347.462 4.481 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccc(Cl)cc1 ZINC000491669257 1042486055 /nfs/dbraw/zinc/48/60/55/1042486055.db2.gz CBUOSHRKELGYBB-QGZVFWFLSA-N 1 1 339.851 4.323 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000506549197 1042590123 /nfs/dbraw/zinc/59/01/23/1042590123.db2.gz YASPFHVEBDNWMD-UHFFFAOYSA-N 1 1 331.394 4.410 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](CC(C)C)C2CCCC2)c(C#N)c1C ZINC000426371528 1042606669 /nfs/dbraw/zinc/60/66/69/1042606669.db2.gz NJUHMJJBSNFUEZ-UHFFFAOYSA-N 1 1 333.501 4.076 20 30 EIEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1Cl ZINC000439422128 1042615941 /nfs/dbraw/zinc/61/59/41/1042615941.db2.gz MEUKRROKVICJCD-UHFFFAOYSA-N 1 1 344.842 4.251 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1Cl ZINC000439422128 1042615942 /nfs/dbraw/zinc/61/59/42/1042615942.db2.gz MEUKRROKVICJCD-UHFFFAOYSA-N 1 1 344.842 4.251 20 30 EIEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439436945 1042624933 /nfs/dbraw/zinc/62/49/33/1042624933.db2.gz HKEIZNDOULCTKE-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439436945 1042624938 /nfs/dbraw/zinc/62/49/38/1042624938.db2.gz HKEIZNDOULCTKE-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO Cc1ccsc1C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492379187 1042627271 /nfs/dbraw/zinc/62/72/71/1042627271.db2.gz VVCFKWFECVLHHL-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1ccsc1C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492379187 1042627281 /nfs/dbraw/zinc/62/72/81/1042627281.db2.gz VVCFKWFECVLHHL-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448226 1042633765 /nfs/dbraw/zinc/63/37/65/1042633765.db2.gz ZVLSGUYEVKLGRT-FUHWJXTLSA-N 1 1 345.918 4.298 20 30 EIEDMO Cc1cc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996977 1042744404 /nfs/dbraw/zinc/74/44/04/1042744404.db2.gz PTENJQWDGVXKQD-SFHVURJKSA-N 1 1 333.479 4.182 20 30 EIEDMO COC[C@@H](C)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000597160203 1042834088 /nfs/dbraw/zinc/83/40/88/1042834088.db2.gz KNXVXXIAFIDZTD-IAGOWNOFSA-N 1 1 338.451 4.165 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000536417764 1042842918 /nfs/dbraw/zinc/84/29/18/1042842918.db2.gz YYEZUNRQQSDKTR-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000574694660 1042914610 /nfs/dbraw/zinc/91/46/10/1042914610.db2.gz QCVKZNQGDISSSQ-ACDBMABISA-N 1 1 347.418 4.377 20 30 EIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388363 1043089713 /nfs/dbraw/zinc/08/97/13/1043089713.db2.gz SDKGAADSTLATAE-HKUYNNGSSA-N 1 1 347.462 4.073 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC000509155250 1043089972 /nfs/dbraw/zinc/08/99/72/1043089972.db2.gz RUAWYVRRBRVRRM-UHFFFAOYSA-N 1 1 331.419 4.017 20 30 EIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388359 1043089991 /nfs/dbraw/zinc/08/99/91/1043089991.db2.gz SDKGAADSTLATAE-PKOBYXMFSA-N 1 1 347.462 4.073 20 30 EIEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599552 1043118240 /nfs/dbraw/zinc/11/82/40/1043118240.db2.gz LVVNPXFEUPQXQO-STQMWFEESA-N 1 1 333.863 4.049 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022892 1043303262 /nfs/dbraw/zinc/30/32/62/1043303262.db2.gz LRVIMZVIRAZMOK-RTWAWAEBSA-N 1 1 349.478 4.180 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022892 1043303273 /nfs/dbraw/zinc/30/32/73/1043303273.db2.gz LRVIMZVIRAZMOK-RTWAWAEBSA-N 1 1 349.478 4.180 20 30 EIEDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000487409089 1043320094 /nfs/dbraw/zinc/32/00/94/1043320094.db2.gz KYAMWOBTZIJQJE-UHFFFAOYSA-N 1 1 338.451 4.007 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(F)c(F)c1 ZINC000187372263 1043344895 /nfs/dbraw/zinc/34/48/95/1043344895.db2.gz RKSDHZGNEVNFNW-IBGZPJMESA-N 1 1 327.378 4.328 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)c1 ZINC000609195440 1043447231 /nfs/dbraw/zinc/44/72/31/1043447231.db2.gz TVYIXPSPHBIMDZ-LJQANCHMSA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000171146922 1043462642 /nfs/dbraw/zinc/46/26/42/1043462642.db2.gz OGWRWJLUFFQJOO-UHFFFAOYSA-N 1 1 327.431 4.198 20 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EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989079 1044062314 /nfs/dbraw/zinc/06/23/14/1044062314.db2.gz NXUGLFUIYQGYGD-HXUWFJFHSA-N 1 1 342.389 4.442 20 30 EIEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000543209143 1044136589 /nfs/dbraw/zinc/13/65/89/1044136589.db2.gz ZALCTDZEJLKTPG-UHFFFAOYSA-N 1 1 334.463 4.060 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278843 1044197166 /nfs/dbraw/zinc/19/71/66/1044197166.db2.gz YXWGKWQTGYFJKP-NSHGMRRFSA-N 1 1 328.500 4.006 20 30 EIEDMO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000174104113 1044219715 /nfs/dbraw/zinc/21/97/15/1044219715.db2.gz GTLPRCMKKQVHHK-ZWKOTPCHSA-N 1 1 333.479 4.434 20 30 EIEDMO C=CC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000522081541 1044223747 /nfs/dbraw/zinc/22/37/47/1044223747.db2.gz LBBWSJNNWNAPSS-UHFFFAOYSA-N 1 1 328.481 4.429 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000174268504 1044242492 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EIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000895314389 1044576894 /nfs/dbraw/zinc/57/68/94/1044576894.db2.gz UZZHUSWVQXGHDU-CYBMUJFWSA-N 1 1 335.473 4.221 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000495201812 1044788924 /nfs/dbraw/zinc/78/89/24/1044788924.db2.gz PCUFNNQRTJCPSS-UHFFFAOYSA-N 1 1 343.377 4.179 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000735309191 1044799462 /nfs/dbraw/zinc/79/94/62/1044799462.db2.gz ISXJNCZQZILLLU-HNNXBMFYSA-N 1 1 344.817 4.371 20 30 EIEDMO N#CC1(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000495255479 1044828984 /nfs/dbraw/zinc/82/89/84/1044828984.db2.gz QICJGDBLUBQQAL-HNNXBMFYSA-N 1 1 337.236 4.323 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000735494966 1044833047 /nfs/dbraw/zinc/83/30/47/1044833047.db2.gz LYACLRWWEZGFEZ-HXUWFJFHSA-N 1 1 338.476 4.117 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC(C)C)c1ccccc1 ZINC000428952438 1044895733 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CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CCCCC#N ZINC000429381749 1045050651 /nfs/dbraw/zinc/05/06/51/1045050651.db2.gz SCNXTIVNMWJEHR-JOCHJYFZSA-N 1 1 341.543 4.345 20 30 EIEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CCCCC#N ZINC000429381749 1045050667 /nfs/dbraw/zinc/05/06/67/1045050667.db2.gz SCNXTIVNMWJEHR-JOCHJYFZSA-N 1 1 341.543 4.345 20 30 EIEDMO Cc1ccc(CC[N@@H+](CCCSCC#N)Cc2ccco2)cc1 ZINC000466714679 1045080458 /nfs/dbraw/zinc/08/04/58/1045080458.db2.gz AXAZSJWGTFKVGL-UHFFFAOYSA-N 1 1 328.481 4.280 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000131161804 1045167233 /nfs/dbraw/zinc/16/72/33/1045167233.db2.gz BXOADAZLBANULX-UHFFFAOYSA-N 1 1 331.394 4.391 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000131161804 1045167240 /nfs/dbraw/zinc/16/72/40/1045167240.db2.gz BXOADAZLBANULX-UHFFFAOYSA-N 1 1 331.394 4.391 20 30 EIEDMO Cc1csc([C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)C2CC2)n1 ZINC000347794175 1045206479 /nfs/dbraw/zinc/20/64/79/1045206479.db2.gz YWDQZAJQVIDHHP-OAHLLOKOSA-N 1 1 349.406 4.166 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000740878557 1045235401 /nfs/dbraw/zinc/23/54/01/1045235401.db2.gz MEDNCYRLCPRKMB-UHFFFAOYSA-N 1 1 342.270 4.194 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000740878360 1045236023 /nfs/dbraw/zinc/23/60/23/1045236023.db2.gz BJHWHFKJRPNEPM-UHFFFAOYSA-N 1 1 342.270 4.194 20 30 EIEDMO N#Cc1csc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000611252756 1045265609 /nfs/dbraw/zinc/26/56/09/1045265609.db2.gz AZKJUWZFTMBUEU-UHFFFAOYSA-N 1 1 340.448 4.293 20 30 EIEDMO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000611388230 1045294808 /nfs/dbraw/zinc/29/48/08/1045294808.db2.gz LZBUMKFHTIOHRS-HNNXBMFYSA-N 1 1 347.418 4.463 20 30 EIEDMO C[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476154 1045316004 /nfs/dbraw/zinc/31/60/04/1045316004.db2.gz ORKBQMDUJOHASW-PGRDOPGGSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476154 1045316009 /nfs/dbraw/zinc/31/60/09/1045316009.db2.gz ORKBQMDUJOHASW-PGRDOPGGSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526251 1045321525 /nfs/dbraw/zinc/32/15/25/1045321525.db2.gz FVGFICUZCWZRQR-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526251 1045321530 /nfs/dbraw/zinc/32/15/30/1045321530.db2.gz FVGFICUZCWZRQR-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526251 1045321536 /nfs/dbraw/zinc/32/15/36/1045321536.db2.gz FVGFICUZCWZRQR-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO C=C(C)COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC ZINC000237318885 1045381793 /nfs/dbraw/zinc/38/17/93/1045381793.db2.gz IOVJECAVZGBMNV-UHFFFAOYSA-N 1 1 346.515 4.049 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(CC)cc2)c(O)c(OC)c1 ZINC000915808188 1045469709 /nfs/dbraw/zinc/46/97/09/1045469709.db2.gz UXHOEWHCKAVILE-UHFFFAOYSA-N 1 1 325.452 4.324 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCC(=O)C2CC2)Cc2cccc(F)c2)cc1 ZINC000767423778 1045534251 /nfs/dbraw/zinc/53/42/51/1045534251.db2.gz WFFAGKFZILYUNR-UHFFFAOYSA-N 1 1 336.410 4.069 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)nc1 ZINC000790587348 1045536744 /nfs/dbraw/zinc/53/67/44/1045536744.db2.gz RCXBWIGEGJOTST-UHFFFAOYSA-N 1 1 340.839 4.020 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000533596642 1045631997 /nfs/dbraw/zinc/63/19/97/1045631997.db2.gz NNDGQNPUWARDPT-AWEZNQCLSA-N 1 1 340.389 4.488 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC000767763958 1045633223 /nfs/dbraw/zinc/63/32/23/1045633223.db2.gz FWOSKAUBIWNCOX-ZBFHGGJFSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC000767763958 1045633203 /nfs/dbraw/zinc/63/32/03/1045633203.db2.gz FWOSKAUBIWNCOX-ZBFHGGJFSA-N 1 1 334.533 4.336 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000767988361 1045693505 /nfs/dbraw/zinc/69/35/05/1045693505.db2.gz XOWQPWQFWPBURW-UHFFFAOYSA-N 1 1 330.431 4.042 20 30 EIEDMO CCCCCCCOc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000768215345 1045754301 /nfs/dbraw/zinc/75/43/01/1045754301.db2.gz DFHTXHODZGRXEN-UHFFFAOYSA-N 1 1 346.515 4.090 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000791565751 1045770122 /nfs/dbraw/zinc/77/01/22/1045770122.db2.gz IUDNWOLEZVYCCJ-FQEVSTJZSA-N 1 1 336.435 4.090 20 30 EIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792198825 1045878640 /nfs/dbraw/zinc/87/86/40/1045878640.db2.gz NXMAENQTDDVXKQ-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO O[C@H](C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1)c1cccs1 ZINC000792236869 1045881038 /nfs/dbraw/zinc/88/10/38/1045881038.db2.gz FOLIFSHDWXJGPD-OAQYLSRUSA-N 1 1 347.483 4.335 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769107280 1045881309 /nfs/dbraw/zinc/88/13/09/1045881309.db2.gz SGEMLQDENOIBBY-NRFANRHFSA-N 1 1 335.451 4.079 20 30 EIEDMO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000769318051 1045921583 /nfs/dbraw/zinc/92/15/83/1045921583.db2.gz HIXSKXCOONLOHC-RXVVDRJESA-N 1 1 334.463 4.493 20 30 EIEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000614923623 1045943835 /nfs/dbraw/zinc/94/38/35/1045943835.db2.gz CYAMVIUTEUAGEB-QGZVFWFLSA-N 1 1 340.389 4.031 20 30 EIEDMO N#Cc1cncc(C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC001170253048 1045971247 /nfs/dbraw/zinc/97/12/47/1045971247.db2.gz JEWGHGVSATZJSA-UHFFFAOYSA-N 1 1 345.471 4.184 20 30 EIEDMO C[C@H]1[C@H](C)[N@@H+](CCCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000769785782 1046072923 /nfs/dbraw/zinc/07/29/23/1046072923.db2.gz DVWBSRWXZNWDBR-HOTGVXAUSA-N 1 1 337.508 4.036 20 30 EIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399013 1046127443 /nfs/dbraw/zinc/12/74/43/1046127443.db2.gz YRLITQSQGUKFNS-FZKQIMNGSA-N 1 1 348.368 4.303 20 30 EIEDMO CCCC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763406971 1046133734 /nfs/dbraw/zinc/13/37/34/1046133734.db2.gz JKCFMARMKPPTFO-HXUWFJFHSA-N 1 1 326.415 4.033 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409946 1046136932 /nfs/dbraw/zinc/13/69/32/1046136932.db2.gz IDXVCESLBPUQIA-BHDDXSALSA-N 1 1 334.463 4.168 20 30 EIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763410740 1046138956 /nfs/dbraw/zinc/13/89/56/1046138956.db2.gz OEJOEFBKNHWDSM-UXHICEINSA-N 1 1 338.451 4.364 20 30 EIEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000497019381 1046168723 /nfs/dbraw/zinc/16/87/23/1046168723.db2.gz SEXHVXVLXOWOMP-IRXDYDNUSA-N 1 1 349.519 4.228 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770713323 1046259762 /nfs/dbraw/zinc/25/97/62/1046259762.db2.gz WZKBOZYITABIGT-GOSISDBHSA-N 1 1 333.378 4.010 20 30 EIEDMO CC(C)C[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000794384383 1046409603 /nfs/dbraw/zinc/40/96/03/1046409603.db2.gz FZDZEPLNHDCKFS-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771575134 1046442474 /nfs/dbraw/zinc/44/24/74/1046442474.db2.gz RRZJVECEQMLETL-IBGZPJMESA-N 1 1 328.843 4.157 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 ZINC000804537320 1046589685 /nfs/dbraw/zinc/58/96/85/1046589685.db2.gz QSRKOBDTLFXULA-SNVBAGLBSA-N 1 1 343.843 4.335 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000127194164 1046628256 /nfs/dbraw/zinc/62/82/56/1046628256.db2.gz RGZPXAXGBJDCCX-KRWDZBQOSA-N 1 1 348.450 4.025 20 30 EIEDMO COc1ccccc1C[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000917067584 1046631108 /nfs/dbraw/zinc/63/11/08/1046631108.db2.gz NSZYBLZZMLNCAP-UHFFFAOYSA-N 1 1 336.435 4.000 20 30 EIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000536669932 1046648872 /nfs/dbraw/zinc/64/88/72/1046648872.db2.gz FUNROQFNHYNARX-BEFAXECRSA-N 1 1 348.450 4.335 20 30 EIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000536669932 1046648898 /nfs/dbraw/zinc/64/88/98/1046648898.db2.gz FUNROQFNHYNARX-BEFAXECRSA-N 1 1 348.450 4.335 20 30 EIEDMO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000536732213 1046730307 /nfs/dbraw/zinc/73/03/07/1046730307.db2.gz YEZJKNGMXLHMHN-IAGOWNOFSA-N 1 1 337.442 4.137 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O)c(OCC)c1 ZINC000459541002 1046763933 /nfs/dbraw/zinc/76/39/33/1046763933.db2.gz FHPXEQUGZWFQKI-UHFFFAOYSA-N 1 1 343.471 4.147 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O)c(OCC)c1 ZINC000459541002 1046763945 /nfs/dbraw/zinc/76/39/45/1046763945.db2.gz FHPXEQUGZWFQKI-UHFFFAOYSA-N 1 1 343.471 4.147 20 30 EIEDMO C=CCn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1ccc(C)cc1 ZINC000917233919 1046820094 /nfs/dbraw/zinc/82/00/94/1046820094.db2.gz YMHOADFLXHAUDW-UHFFFAOYSA-N 1 1 339.468 4.072 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652462 1046838088 /nfs/dbraw/zinc/83/80/88/1046838088.db2.gz BUKHWHDENTVMQZ-OAHLLOKOSA-N 1 1 346.437 4.387 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000154372639 1046854665 /nfs/dbraw/zinc/85/46/65/1046854665.db2.gz BFKHBBSGZCXIJY-QGZVFWFLSA-N 1 1 333.435 4.260 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618793 1046894540 /nfs/dbraw/zinc/89/45/40/1046894540.db2.gz HOZYWLXQILEIGK-HNNXBMFYSA-N 1 1 339.414 4.109 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000497617474 1046895679 /nfs/dbraw/zinc/89/56/79/1046895679.db2.gz DXIRWIPXHNQDCP-KRWDZBQOSA-N 1 1 349.459 4.384 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000497617474 1046895688 /nfs/dbraw/zinc/89/56/88/1046895688.db2.gz DXIRWIPXHNQDCP-KRWDZBQOSA-N 1 1 349.459 4.384 20 30 EIEDMO C#CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000746662702 1046950832 /nfs/dbraw/zinc/95/08/32/1046950832.db2.gz GLPSYQDMGAGDBZ-UHFFFAOYSA-N 1 1 347.462 4.006 20 30 EIEDMO C#CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000746662702 1046950849 /nfs/dbraw/zinc/95/08/49/1046950849.db2.gz GLPSYQDMGAGDBZ-UHFFFAOYSA-N 1 1 347.462 4.006 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847701 1047011798 /nfs/dbraw/zinc/01/17/98/1047011798.db2.gz FRZJOEBNIZIUMP-INIZCTEOSA-N 1 1 337.508 4.038 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000806177160 1047162575 /nfs/dbraw/zinc/16/25/75/1047162575.db2.gz VERVVQFXOKZZIA-MSOLQXFVSA-N 1 1 345.446 4.296 20 30 EIEDMO CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400822 1047194872 /nfs/dbraw/zinc/19/48/72/1047194872.db2.gz KDMVODUQKWRNFW-IERDGZPVSA-N 1 1 339.458 4.431 20 30 EIEDMO C#CCC[NH2+][C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000760295935 1047243665 /nfs/dbraw/zinc/24/36/65/1047243665.db2.gz NVPNPSMGAYOOMZ-IBGZPJMESA-N 1 1 329.827 4.060 20 30 EIEDMO C#CC[C@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1ccccc1 ZINC000788685436 1047260590 /nfs/dbraw/zinc/26/05/90/1047260590.db2.gz IYZAARXKHJQQDT-WFASDCNBSA-N 1 1 347.231 4.398 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000666865927 1047268630 /nfs/dbraw/zinc/26/86/30/1047268630.db2.gz CIWWPMQBOLGZIB-QGZVFWFLSA-N 1 1 329.488 4.096 20 30 EIEDMO C=CCCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000476085768 1047302304 /nfs/dbraw/zinc/30/23/04/1047302304.db2.gz VDFOEKQIKKJUAY-ICSRJNTNSA-N 1 1 340.511 4.244 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)cc1 ZINC000789141277 1047376682 /nfs/dbraw/zinc/37/66/82/1047376682.db2.gz CGJRIZSCKWYSPQ-TWGQIWQCSA-N 1 1 342.402 4.033 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2-c2ccccc2)n1 ZINC000789761987 1047468119 /nfs/dbraw/zinc/46/81/19/1047468119.db2.gz OKUPUMSXEXHDSI-UHFFFAOYSA-N 1 1 329.447 4.205 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000170984244 1047601469 /nfs/dbraw/zinc/60/14/69/1047601469.db2.gz DASVJGRLEDODQL-MRXNPFEDSA-N 1 1 347.528 4.243 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918737976 1047630264 /nfs/dbraw/zinc/63/02/64/1047630264.db2.gz VBPAUCYGZVXIFH-GOSISDBHSA-N 1 1 335.369 4.427 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000130497418 1047717976 /nfs/dbraw/zinc/71/79/76/1047717976.db2.gz HIQGFZVCSQQWRR-NRFANRHFSA-N 1 1 330.435 4.066 20 30 EIEDMO FC1(c2cccnc2)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000556544627 1047811536 /nfs/dbraw/zinc/81/15/36/1047811536.db2.gz FYKJBBIJNMBKAO-UHFFFAOYSA-N 1 1 328.818 4.047 20 30 EIEDMO C=CCCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000476455463 1047817516 /nfs/dbraw/zinc/81/75/16/1047817516.db2.gz DRGHUJMSBUYZHP-UYAOXDASSA-N 1 1 340.511 4.150 20 30 EIEDMO CCCCCCCOc1cccc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000824522194 1047878689 /nfs/dbraw/zinc/87/86/89/1047878689.db2.gz SBSGRQSXXWWXFX-IBGZPJMESA-N 1 1 327.472 4.467 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000194960180 1047890435 /nfs/dbraw/zinc/89/04/35/1047890435.db2.gz WVFZGPJAXNOCBB-UHFFFAOYSA-N 1 1 331.394 4.410 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000194988515 1047895001 /nfs/dbraw/zinc/89/50/01/1047895001.db2.gz CSEGTHLLRHQPCB-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000498942844 1047998676 /nfs/dbraw/zinc/99/86/76/1047998676.db2.gz VCYJPVXVFZPCKJ-UHFFFAOYSA-N 1 1 331.419 4.457 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000498942844 1047998700 /nfs/dbraw/zinc/99/87/00/1047998700.db2.gz VCYJPVXVFZPCKJ-UHFFFAOYSA-N 1 1 331.419 4.457 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001171077381 1048055118 /nfs/dbraw/zinc/05/51/18/1048055118.db2.gz FYEAYGNWAVTSCO-UHFFFAOYSA-N 1 1 344.380 4.430 20 30 EIEDMO CCCCC[C@@H](C)NC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770967 1048060205 /nfs/dbraw/zinc/06/02/05/1048060205.db2.gz YGVQSXWOSUQSGT-SJORKVTESA-N 1 1 329.488 4.026 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1C(F)(F)F ZINC001143638692 1048129648 /nfs/dbraw/zinc/12/96/48/1048129648.db2.gz ZRYFTQICEKJSNY-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1C(F)(F)F ZINC001143638692 1048129652 /nfs/dbraw/zinc/12/96/52/1048129652.db2.gz ZRYFTQICEKJSNY-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO COc1cccc([C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732026 1048179232 /nfs/dbraw/zinc/17/92/32/1048179232.db2.gz MAMJOWXNJIBGIQ-INIZCTEOSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1cccc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732026 1048179240 /nfs/dbraw/zinc/17/92/40/1048179240.db2.gz MAMJOWXNJIBGIQ-INIZCTEOSA-N 1 1 326.827 4.210 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001143791042 1048205979 /nfs/dbraw/zinc/20/59/79/1048205979.db2.gz CKSIKVRYMMCGLE-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001143791042 1048205995 /nfs/dbraw/zinc/20/59/95/1048205995.db2.gz CKSIKVRYMMCGLE-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO CCOc1c(Cl)ccc(C[N@H+](C)Cc2cccc(C#N)c2)c1F ZINC001143837590 1048232519 /nfs/dbraw/zinc/23/25/19/1048232519.db2.gz VETUJUNQGIFJCX-UHFFFAOYSA-N 1 1 332.806 4.381 20 30 EIEDMO CCOc1c(Cl)ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1F ZINC001143837590 1048232535 /nfs/dbraw/zinc/23/25/35/1048232535.db2.gz VETUJUNQGIFJCX-UHFFFAOYSA-N 1 1 332.806 4.381 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)c2ncc(F)cn2)cc1 ZINC001171119267 1048285820 /nfs/dbraw/zinc/28/58/20/1048285820.db2.gz PFJYSTHAVQEIDS-RDTXWAMCSA-N 1 1 326.419 4.112 20 30 EIEDMO C[C@H](CCSc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366255 1048305533 /nfs/dbraw/zinc/30/55/33/1048305533.db2.gz LQLNECKFKJNBKB-OXQOHEQNSA-N 1 1 340.492 4.094 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439945 1048339769 /nfs/dbraw/zinc/33/97/69/1048339769.db2.gz ZCHKHFBSKSJYJP-OAHLLOKOSA-N 1 1 345.311 4.058 20 30 EIEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144075285 1048407529 /nfs/dbraw/zinc/40/75/29/1048407529.db2.gz LMDRUWJEZFVINB-GOSISDBHSA-N 1 1 328.500 4.006 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1O)c1ccc(Cl)cc1F ZINC000809700061 1048464410 /nfs/dbraw/zinc/46/44/10/1048464410.db2.gz WSFNYNZDZUJWCT-QGZVFWFLSA-N 1 1 333.790 4.048 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144163250 1048471569 /nfs/dbraw/zinc/47/15/69/1048471569.db2.gz XCTCJFASWONLLN-CQSZACIVSA-N 1 1 332.234 4.250 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N\CC[N@H+]1CCc2sccc2C1 ZINC000920173069 1048573090 /nfs/dbraw/zinc/57/30/90/1048573090.db2.gz OERIGKGHPRZLFN-BKUYFWCQSA-N 1 1 336.460 4.084 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000074981993 1048636346 /nfs/dbraw/zinc/63/63/46/1048636346.db2.gz GIWSWNDTHYNAPV-HNNXBMFYSA-N 1 1 339.302 4.233 20 30 EIEDMO CCOC(=O)c1ccc(C)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171181811 1048662682 /nfs/dbraw/zinc/66/26/82/1048662682.db2.gz CJMNHERTZMAQCS-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001171204193 1048773652 /nfs/dbraw/zinc/77/36/52/1048773652.db2.gz UJGHOHHQPLYYBD-ZWKOTPCHSA-N 1 1 336.479 4.451 20 30 EIEDMO C#CCCCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456291 1048806743 /nfs/dbraw/zinc/80/67/43/1048806743.db2.gz FGHIMHLKYKDOPX-QUCCMNQESA-N 1 1 327.468 4.024 20 30 EIEDMO C[C@H]1[C@@H](OC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000816470369 1048806896 /nfs/dbraw/zinc/80/68/96/1048806896.db2.gz MQWYUASZNKRYNM-HKUYNNGSSA-N 1 1 328.456 4.057 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)c1 ZINC001144717310 1048816692 /nfs/dbraw/zinc/81/66/92/1048816692.db2.gz KGUGVKYLTOZDTN-HXUWFJFHSA-N 1 1 331.419 4.083 20 30 EIEDMO C[NH+](C)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000920945189 1048818829 /nfs/dbraw/zinc/81/88/29/1048818829.db2.gz SDDBBTRPAHAOMY-HSGPEQJXSA-N 1 1 337.250 4.421 20 30 EIEDMO C[NH+](C)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000920945190 1048818870 /nfs/dbraw/zinc/81/88/70/1048818870.db2.gz SDDBBTRPAHAOMY-OBLBUWMUSA-N 1 1 337.250 4.421 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846105307 1048822937 /nfs/dbraw/zinc/82/29/37/1048822937.db2.gz RXVMYYXTVNHZTK-AWEZNQCLSA-N 1 1 330.300 4.198 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846105307 1048822940 /nfs/dbraw/zinc/82/29/40/1048822940.db2.gz RXVMYYXTVNHZTK-AWEZNQCLSA-N 1 1 330.300 4.198 20 30 EIEDMO CC[N@H+](CCCN[C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182647 1048835163 /nfs/dbraw/zinc/83/51/63/1048835163.db2.gz NWSCJJOITGCDOS-GOSISDBHSA-N 1 1 343.515 4.284 20 30 EIEDMO CC[N@@H+](CCCN[C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182647 1048835165 /nfs/dbraw/zinc/83/51/65/1048835165.db2.gz NWSCJJOITGCDOS-GOSISDBHSA-N 1 1 343.515 4.284 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)c1 ZINC001144743357 1048848342 /nfs/dbraw/zinc/84/83/42/1048848342.db2.gz KDPCFZJCODDSSB-SFHVURJKSA-N 1 1 349.459 4.211 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846755869 1048889779 /nfs/dbraw/zinc/88/97/79/1048889779.db2.gz DPLYBEUBEUPFKA-LILRULDKSA-N 1 1 327.255 4.135 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846755869 1048889781 /nfs/dbraw/zinc/88/97/81/1048889781.db2.gz DPLYBEUBEUPFKA-LILRULDKSA-N 1 1 327.255 4.135 20 30 EIEDMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135270524 1049099028 /nfs/dbraw/zinc/09/90/28/1049099028.db2.gz UHERHCDWAGHQOJ-UHFFFAOYSA-N 1 1 332.451 4.006 20 30 EIEDMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135270524 1049099037 /nfs/dbraw/zinc/09/90/37/1049099037.db2.gz UHERHCDWAGHQOJ-UHFFFAOYSA-N 1 1 332.451 4.006 20 30 EIEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001171309498 1049165529 /nfs/dbraw/zinc/16/55/29/1049165529.db2.gz YLWPPPPCVMCAQJ-NRFANRHFSA-N 1 1 338.426 4.173 20 30 EIEDMO COc1cc(C[NH2+][C@H](C)c2ccccc2Br)ccc1C#N ZINC000234950366 1049249300 /nfs/dbraw/zinc/24/93/00/1049249300.db2.gz WWMQEVCCTWLVEM-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO CC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609771972 1049311662 /nfs/dbraw/zinc/31/16/62/1049311662.db2.gz LHQUEAXUOVQKFN-INIZCTEOSA-N 1 1 347.890 4.099 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)C(C)C ZINC000609848431 1049357301 /nfs/dbraw/zinc/35/73/01/1049357301.db2.gz IXNAJBOYRHIFLJ-CQSZACIVSA-N 1 1 347.528 4.194 20 30 EIEDMO C[C@@H](NN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818475 1049374801 /nfs/dbraw/zinc/37/48/01/1049374801.db2.gz MQOFMYBKSABSNY-IERDGZPVSA-N 1 1 334.467 4.088 20 30 EIEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cnc2[nH]cc(SC)c21 ZINC001171373176 1049540302 /nfs/dbraw/zinc/54/03/02/1049540302.db2.gz PQCXHSZEPAQSFY-GFCCVEGCSA-N 1 1 340.452 4.418 20 30 EIEDMO C#CC[N@@H+](Cc1cncc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000812823428 1049584669 /nfs/dbraw/zinc/58/46/69/1049584669.db2.gz AHBNUXSETKENED-GOSISDBHSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[N@H+](Cc1cncc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000812823428 1049584676 /nfs/dbraw/zinc/58/46/76/1049584676.db2.gz AHBNUXSETKENED-GOSISDBHSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000773117778 1049587642 /nfs/dbraw/zinc/58/76/42/1049587642.db2.gz WRVCGUYBYHZMKP-QHCPKHFHSA-N 1 1 332.491 4.048 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000812793234 1049591718 /nfs/dbraw/zinc/59/17/18/1049591718.db2.gz PRUGYWNFIPGSPW-QGZVFWFLSA-N 1 1 345.801 4.105 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCCCC)c(OC)c1)c1ccc(F)cc1 ZINC000812794226 1049592434 /nfs/dbraw/zinc/59/24/34/1049592434.db2.gz VNDQYNSUZHXOPB-LJQANCHMSA-N 1 1 341.426 4.477 20 30 EIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001247622900 1049605234 /nfs/dbraw/zinc/60/52/34/1049605234.db2.gz SHGFFYDIDLEKRX-LLVKDONJSA-N 1 1 342.624 4.119 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849955 1049611824 /nfs/dbraw/zinc/61/18/24/1049611824.db2.gz RZJSQEHQRZEJMT-JXFKEZNVSA-N 1 1 327.855 4.136 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465944 1049663473 /nfs/dbraw/zinc/66/34/73/1049663473.db2.gz ZEKFHFDODUHLHM-UYAOXDASSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615438867 1049679617 /nfs/dbraw/zinc/67/96/17/1049679617.db2.gz FVMBGPNTRQEOHJ-TVYUQYBPSA-N 1 1 336.279 4.292 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615438867 1049679633 /nfs/dbraw/zinc/67/96/33/1049679633.db2.gz FVMBGPNTRQEOHJ-TVYUQYBPSA-N 1 1 336.279 4.292 20 30 EIEDMO N#CCOc1cccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716715920 1049704430 /nfs/dbraw/zinc/70/44/30/1049704430.db2.gz YORCSKXGOJYHCO-JBACZVJFSA-N 1 1 347.462 4.054 20 30 EIEDMO Cc1cccc(Br)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001248613606 1049707322 /nfs/dbraw/zinc/70/73/22/1049707322.db2.gz KFPUZOVHOBYNNB-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO Cc1cccc(Br)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001248613606 1049707335 /nfs/dbraw/zinc/70/73/35/1049707335.db2.gz KFPUZOVHOBYNNB-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3csc(Cl)c3)C2)cc1 ZINC001142780163 1049707355 /nfs/dbraw/zinc/70/73/55/1049707355.db2.gz IWYVEIBHAMLXSV-MRXNPFEDSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3csc(Cl)c3)C2)cc1 ZINC001142780163 1049707368 /nfs/dbraw/zinc/70/73/68/1049707368.db2.gz IWYVEIBHAMLXSV-MRXNPFEDSA-N 1 1 332.856 4.317 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1 ZINC001171615494 1049766718 /nfs/dbraw/zinc/76/67/18/1049766718.db2.gz WTCDKXMODDDRCO-SQNIBIBYSA-N 1 1 348.531 4.146 20 30 EIEDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000822525572 1049767824 /nfs/dbraw/zinc/76/78/24/1049767824.db2.gz IPDDBUYTDJQVPH-LBPRGKRZSA-N 1 1 330.815 4.119 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001136595675 1049771719 /nfs/dbraw/zinc/77/17/19/1049771719.db2.gz JVJDBFFUKACUHJ-QGZVFWFLSA-N 1 1 342.483 4.235 20 30 EIEDMO CCC1(CC)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000615810614 1049784440 /nfs/dbraw/zinc/78/44/40/1049784440.db2.gz RFUCHEXQHMMJRZ-UHFFFAOYSA-N 1 1 338.455 4.401 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001171734971 1049799921 /nfs/dbraw/zinc/79/99/21/1049799921.db2.gz NHLCZJPKFPQOJT-QGZVFWFLSA-N 1 1 348.874 4.298 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001171734971 1049799933 /nfs/dbraw/zinc/79/99/33/1049799933.db2.gz NHLCZJPKFPQOJT-QGZVFWFLSA-N 1 1 348.874 4.298 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001171848039 1049813754 /nfs/dbraw/zinc/81/37/54/1049813754.db2.gz WHVAJNNUYIUEKF-GFCCVEGCSA-N 1 1 328.334 4.402 20 30 EIEDMO CC1(C)C[C@@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961849 1049825447 /nfs/dbraw/zinc/82/54/47/1049825447.db2.gz BGERVDYTDHHJLG-NRFANRHFSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171961849 1049825455 /nfs/dbraw/zinc/82/54/55/1049825455.db2.gz BGERVDYTDHHJLG-NRFANRHFSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CCN1Cc1ccccc1 ZINC001171972319 1049835084 /nfs/dbraw/zinc/83/50/84/1049835084.db2.gz PZBRXSCGTBUYJT-YZGWKJHDSA-N 1 1 325.500 4.102 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075024 1049843935 /nfs/dbraw/zinc/84/39/35/1049843935.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 1 1 337.511 4.198 20 30 EIEDMO N#CC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075024 1049843937 /nfs/dbraw/zinc/84/39/37/1049843937.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 1 1 337.511 4.198 20 30 EIEDMO C(#Cc1ccccc1)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077174 1049846592 /nfs/dbraw/zinc/84/65/92/1049846592.db2.gz PERDOVVELQULJH-BKFWDETESA-N 1 1 344.502 4.213 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1Br ZINC001172307882 1049874767 /nfs/dbraw/zinc/87/47/67/1049874767.db2.gz HHYOMOIWNAJXCQ-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO CC[C@H](C)OCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172322455 1049878432 /nfs/dbraw/zinc/87/84/32/1049878432.db2.gz UTEVDMHFQKWRSP-BDAKNGLRSA-N 1 1 327.284 4.003 20 30 EIEDMO CC(C)COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001212283267 1049893149 /nfs/dbraw/zinc/89/31/49/1049893149.db2.gz DDDMWBVVPUHKJI-UHFFFAOYSA-N 1 1 341.480 4.386 20 30 EIEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](CCC)CCCCCC ZINC001172387556 1049904043 /nfs/dbraw/zinc/90/40/43/1049904043.db2.gz LSFHLAXTFKZKES-HKUYNNGSSA-N 1 1 348.535 4.056 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](CCC)CCCCCC ZINC001172387559 1049904963 /nfs/dbraw/zinc/90/49/63/1049904963.db2.gz LSFHLAXTFKZKES-PKOBYXMFSA-N 1 1 348.535 4.056 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496215 1049921421 /nfs/dbraw/zinc/92/14/21/1049921421.db2.gz KVWJJZLOUWANDZ-XLIONFOSSA-N 1 1 349.519 4.324 20 30 EIEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549109 1049947703 /nfs/dbraw/zinc/94/77/03/1049947703.db2.gz MPLDTCQEMWZCDN-AABGKKOBSA-N 1 1 342.483 4.089 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC001212325634 1050062854 /nfs/dbraw/zinc/06/28/54/1050062854.db2.gz YLHJEORAPPNIAR-SFHVURJKSA-N 1 1 333.391 4.332 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249029767 1050088289 /nfs/dbraw/zinc/08/82/89/1050088289.db2.gz BBLDTCZMEKFABW-HFSMHLIXSA-N 1 1 328.500 4.100 20 30 EIEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793711 1050158075 /nfs/dbraw/zinc/15/80/75/1050158075.db2.gz BSYKNOXABCFPCO-WMZOPIPTSA-N 1 1 348.874 4.178 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000181637741 1050273611 /nfs/dbraw/zinc/27/36/11/1050273611.db2.gz LKXLPNBCTBMTJJ-IBGZPJMESA-N 1 1 330.378 4.332 20 30 EIEDMO C=C(Br)C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001177744220 1050291015 /nfs/dbraw/zinc/29/10/15/1050291015.db2.gz UKCHUCPPCLQQDN-UHFFFAOYSA-N 1 1 332.241 4.360 20 30 EIEDMO CCC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(F)cc1F ZINC000181663529 1050294985 /nfs/dbraw/zinc/29/49/85/1050294985.db2.gz LLFLRQPYRSMPME-SFHVURJKSA-N 1 1 330.378 4.476 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001173325324 1050417943 /nfs/dbraw/zinc/41/79/43/1050417943.db2.gz JDFVSYXHCLVARJ-MHJFOBGBSA-N 1 1 343.467 4.124 20 30 EIEDMO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173332282 1050422130 /nfs/dbraw/zinc/42/21/30/1050422130.db2.gz YRVMTWBZKMPAQP-RZZCCWGQSA-N 1 1 349.519 4.084 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1C#N ZINC000618591495 1050423429 /nfs/dbraw/zinc/42/34/29/1050423429.db2.gz KYSLJASBJVTRMH-SFHVURJKSA-N 1 1 331.419 4.388 20 30 EIEDMO N#CCC1CCC(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001173336801 1050425346 /nfs/dbraw/zinc/42/53/46/1050425346.db2.gz MJFMNUUYPMSLMJ-ZOGYUUGASA-N 1 1 337.511 4.154 20 30 EIEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173336789 1050425582 /nfs/dbraw/zinc/42/55/82/1050425582.db2.gz LRJXOUVNKADQPY-CKHPTIKVSA-N 1 1 325.500 4.055 20 30 EIEDMO N#CCC1CCC([N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173336847 1050425624 /nfs/dbraw/zinc/42/56/24/1050425624.db2.gz OLBKVYFCIUFFSL-VTLFHKLASA-N 1 1 337.511 4.199 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C1CCC(CC#N)CC1 ZINC001173337095 1050425671 /nfs/dbraw/zinc/42/56/71/1050425671.db2.gz ZCVDHUMILBGMKC-MYZTUTKLSA-N 1 1 346.515 4.434 20 30 EIEDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000618593935 1050428596 /nfs/dbraw/zinc/42/85/96/1050428596.db2.gz ZAAHPHXOKMGIRF-FCHUYYIVSA-N 1 1 334.463 4.466 20 30 EIEDMO C[N@@H+](CCc1cccc(NCc2ccc(C3(C#N)CC3)cc2)c1)C1CC1 ZINC001178346413 1050441327 /nfs/dbraw/zinc/44/13/27/1050441327.db2.gz HITYALYKZDVIKG-UHFFFAOYSA-N 1 1 345.490 4.491 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001173320101 1050441760 /nfs/dbraw/zinc/44/17/60/1050441760.db2.gz HQRUAONYXWVOFN-GZNCHQMQSA-N 1 1 329.484 4.352 20 30 EIEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665854 1050460107 /nfs/dbraw/zinc/46/01/07/1050460107.db2.gz QGQSCWALOFAARI-MRXNPFEDSA-N 1 1 344.524 4.102 20 30 EIEDMO CC1(C#N)CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001173586826 1050492906 /nfs/dbraw/zinc/49/29/06/1050492906.db2.gz IJNJXDJOLYSFDF-PLZZICSBSA-N 1 1 337.511 4.244 20 30 EIEDMO COc1cccc([C@H]2CSCC[N@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597265 1050499204 /nfs/dbraw/zinc/49/92/04/1050499204.db2.gz NTGWHOKVNXWUQX-CUYAVPTFSA-N 1 1 330.497 4.258 20 30 EIEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597503 1050499371 /nfs/dbraw/zinc/49/93/71/1050499371.db2.gz WHFFUOCYSYQCDB-QPIRBTGLSA-N 1 1 326.440 4.083 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173600930 1050502223 /nfs/dbraw/zinc/50/22/23/1050502223.db2.gz MKKKWDRRDWUJMK-RXCRORICSA-N 1 1 349.519 4.227 20 30 EIEDMO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658920 1050520684 /nfs/dbraw/zinc/52/06/84/1050520684.db2.gz SLCMITGOWQSIPY-WMZOPIPTSA-N 1 1 348.874 4.178 20 30 EIEDMO COc1ccc(C(C)C)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173918135 1050626368 /nfs/dbraw/zinc/62/63/68/1050626368.db2.gz QPYBKALXGHMOPN-UHFFFAOYSA-N 1 1 341.480 4.483 20 30 EIEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC001179193633 1050653687 /nfs/dbraw/zinc/65/36/87/1050653687.db2.gz JOUXQKJPPBQZDW-QGZVFWFLSA-N 1 1 348.918 4.401 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1Cl ZINC001179193633 1050653693 /nfs/dbraw/zinc/65/36/93/1050653693.db2.gz JOUXQKJPPBQZDW-QGZVFWFLSA-N 1 1 348.918 4.401 20 30 EIEDMO CCCCCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC ZINC001179776314 1050771544 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EIEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000619791998 1050918451 /nfs/dbraw/zinc/91/84/51/1050918451.db2.gz NOOIKZHSGHROBS-LSDHHAIUSA-N 1 1 340.858 4.107 20 30 EIEDMO FC1(F)C(F)(F)C12CC[NH+](CC#Cc1cccc(Cl)c1)CC2 ZINC000649709911 1050926240 /nfs/dbraw/zinc/92/62/40/1050926240.db2.gz FMZPUYPSHPVSIF-UHFFFAOYSA-N 1 1 331.740 4.058 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041893 1050944124 /nfs/dbraw/zinc/94/41/24/1050944124.db2.gz WNJUADQNGMZQMH-CYBMUJFWSA-N 1 1 342.405 4.118 20 30 EIEDMO N#Cc1cccc2c(Nc3ccc(C[NH+]4CCOCC4)cc3)cccc12 ZINC001174446968 1050977714 /nfs/dbraw/zinc/97/77/14/1050977714.db2.gz UUVCSNABSBCPRI-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO C#CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183187820 1051014812 /nfs/dbraw/zinc/01/48/12/1051014812.db2.gz RMTCEUJVTYWXGE-CMKODMSKSA-N 1 1 340.511 4.002 20 30 EIEDMO C#CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183187820 1051014830 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C=CCOCC[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC001192053004 1051626315 /nfs/dbraw/zinc/62/63/15/1051626315.db2.gz UDSRWBYTWMIPPO-UHFFFAOYSA-N 1 1 326.278 4.252 20 30 EIEDMO CCCOc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175598233 1051663134 /nfs/dbraw/zinc/66/31/34/1051663134.db2.gz DOBMJVCRZGGKOG-UHFFFAOYSA-N 1 1 327.453 4.140 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)ccc1C#N ZINC001182752672 1051683114 /nfs/dbraw/zinc/68/31/14/1051683114.db2.gz CAWSRXQFGZBDPC-HNNXBMFYSA-N 1 1 326.465 4.179 20 30 EIEDMO COc1cccc(C2([NH2+]Cc3cc(Cl)ccc3OCC#N)CC2)c1 ZINC000775523596 1051701487 /nfs/dbraw/zinc/70/14/87/1051701487.db2.gz LBLRQCITNLBOES-UHFFFAOYSA-N 1 1 342.826 4.030 20 30 EIEDMO COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)c1 ZINC000314825301 1051720340 /nfs/dbraw/zinc/72/03/40/1051720340.db2.gz RBSVTNWBECOSCI-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000277603862 1051796866 /nfs/dbraw/zinc/79/68/66/1051796866.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 1 1 327.516 4.160 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000277603862 1051796878 /nfs/dbraw/zinc/79/68/78/1051796878.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 1 1 327.516 4.160 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(-c4cccnc4)cc3)sc2C1 ZINC001175888570 1051815609 /nfs/dbraw/zinc/81/56/09/1051815609.db2.gz PIMISEUOSMFTOL-UHFFFAOYSA-N 1 1 346.459 4.413 20 30 EIEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC001192919710 1051833109 /nfs/dbraw/zinc/83/31/09/1051833109.db2.gz YXHCVZSSBBFVQM-OAHLLOKOSA-N 1 1 341.236 4.394 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640959 1051854118 /nfs/dbraw/zinc/85/41/18/1051854118.db2.gz XRWUGEVVKBROOV-XUVXKRRUSA-N 1 1 340.854 4.145 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C1CC1 ZINC001176000206 1051869224 /nfs/dbraw/zinc/86/92/24/1051869224.db2.gz UFYHVRFULCDYLT-DLBZAZTESA-N 1 1 334.504 4.006 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1F ZINC000774660270 1051879579 /nfs/dbraw/zinc/87/95/79/1051879579.db2.gz RBKASYCLYHISDJ-QZTJIDSGSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001193346601 1051906236 /nfs/dbraw/zinc/90/62/36/1051906236.db2.gz WFWIMGIFPSCCIT-UHFFFAOYSA-N 1 1 326.827 4.039 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823241 1051908999 /nfs/dbraw/zinc/90/89/99/1051908999.db2.gz QUKMRDCEVULPFU-PXNSSMCTSA-N 1 1 349.519 4.039 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823240 1051909345 /nfs/dbraw/zinc/90/93/45/1051909345.db2.gz QUKMRDCEVULPFU-FXAWDEMLSA-N 1 1 349.519 4.039 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385355 1051914341 /nfs/dbraw/zinc/91/43/41/1051914341.db2.gz UMJAHUONTDPVOH-QWHCGFSZSA-N 1 1 332.271 4.020 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112949 1051915057 /nfs/dbraw/zinc/91/50/57/1051915057.db2.gz FLDWWKLRPXKQEB-UHFFFAOYSA-N 1 1 334.467 4.116 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)(C)C ZINC001176288257 1051979546 /nfs/dbraw/zinc/97/95/46/1051979546.db2.gz NNQYFAICCGILEU-UHFFFAOYSA-N 1 1 347.673 4.319 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)(C)C ZINC001176288257 1051979558 /nfs/dbraw/zinc/97/95/58/1051979558.db2.gz NNQYFAICCGILEU-UHFFFAOYSA-N 1 1 347.673 4.319 20 30 EIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2nc(CC)c(C)s2)CCCC1(C)C ZINC001193919924 1052029088 /nfs/dbraw/zinc/02/90/88/1052029088.db2.gz HCMSJFDUEXANCN-HNNXBMFYSA-N 1 1 335.517 4.019 20 30 EIEDMO C=CC[C@H]1[N@H+](CC(=O)NCc2ccc(Cl)cc2)CCCC1(C)C ZINC001193921469 1052029887 /nfs/dbraw/zinc/02/98/87/1052029887.db2.gz XNCPYDFKTFZHRZ-QGZVFWFLSA-N 1 1 334.891 4.023 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001193957473 1052031532 /nfs/dbraw/zinc/03/15/32/1052031532.db2.gz YMCXCOQNKFWMJW-DWIQEWEKSA-N 1 1 345.914 4.343 20 30 EIEDMO C=CCCCC[N@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001176353535 1052035974 /nfs/dbraw/zinc/03/59/74/1052035974.db2.gz BRTFXTHWXZTAIR-UHFFFAOYSA-N 1 1 342.483 4.220 20 30 EIEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001194152540 1052089966 /nfs/dbraw/zinc/08/99/66/1052089966.db2.gz COYLWMWVHJCPBS-IBGZPJMESA-N 1 1 336.520 4.456 20 30 EIEDMO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000774780384 1052099148 /nfs/dbraw/zinc/09/91/48/1052099148.db2.gz NOZUXJMJIFLIHA-ZDUSSCGKSA-N 1 1 330.815 4.102 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001194232993 1052099838 /nfs/dbraw/zinc/09/98/38/1052099838.db2.gz ZMZGANZZMDFWJX-UHFFFAOYSA-N 1 1 332.447 4.265 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001194251372 1052117456 /nfs/dbraw/zinc/11/74/56/1052117456.db2.gz PEGUKPOQCHCZHU-INIZCTEOSA-N 1 1 325.452 4.400 20 30 EIEDMO C=C(CC)C[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001194299425 1052122757 /nfs/dbraw/zinc/12/27/57/1052122757.db2.gz GCWOLLZNNVLWFT-UHFFFAOYSA-N 1 1 332.488 4.022 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767240 1052192254 /nfs/dbraw/zinc/19/22/54/1052192254.db2.gz BJVPLSYXBCQQRA-OAHLLOKOSA-N 1 1 326.362 4.075 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176767289 1052192996 /nfs/dbraw/zinc/19/29/96/1052192996.db2.gz DLZXMSNDKLTVRW-SFHVURJKSA-N 1 1 336.520 4.454 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000671247366 1052529967 /nfs/dbraw/zinc/52/99/67/1052529967.db2.gz SDBJTEHXGWGNPQ-LJQANCHMSA-N 1 1 327.493 4.045 20 30 EIEDMO C#CC[N@H+](CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)C1CC1 ZINC000763950373 1052656994 /nfs/dbraw/zinc/65/69/94/1052656994.db2.gz UMSMHVUTVCYXJX-UHFFFAOYSA-N 1 1 346.902 4.281 20 30 EIEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000122876344 1052760355 /nfs/dbraw/zinc/76/03/55/1052760355.db2.gz DFDPKSQGEJYOOI-QGZVFWFLSA-N 1 1 335.451 4.115 20 30 EIEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000122876344 1052760356 /nfs/dbraw/zinc/76/03/56/1052760356.db2.gz DFDPKSQGEJYOOI-QGZVFWFLSA-N 1 1 335.451 4.115 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683535 1053071201 /nfs/dbraw/zinc/07/12/01/1053071201.db2.gz ORUQLODIQNHJDQ-SPYBWZPUSA-N 1 1 335.407 4.233 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466354 1053118157 /nfs/dbraw/zinc/11/81/57/1053118157.db2.gz JJGXYWBUKCXXLB-RTWAWAEBSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764466354 1053118179 /nfs/dbraw/zinc/11/81/79/1053118179.db2.gz JJGXYWBUKCXXLB-RTWAWAEBSA-N 1 1 337.596 4.085 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764466354 1053118187 /nfs/dbraw/zinc/11/81/87/1053118187.db2.gz JJGXYWBUKCXXLB-RTWAWAEBSA-N 1 1 337.596 4.085 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001195064207 1053254230 /nfs/dbraw/zinc/25/42/30/1053254230.db2.gz ADBZWWXDGJVYED-UHFFFAOYSA-N 1 1 344.380 4.430 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\COc3cc(F)ccc3C2=O)c2ccccn21 ZINC000794728242 1053343524 /nfs/dbraw/zinc/34/35/24/1053343524.db2.gz NDZAEBXADAONKY-UKTHLTGXSA-N 1 1 336.366 4.256 20 30 EIEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251979 1053343887 /nfs/dbraw/zinc/34/38/87/1053343887.db2.gz ZFIUXQNAECAWQC-SJORKVTESA-N 1 1 334.504 4.150 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c1=S ZINC000764956167 1053390167 /nfs/dbraw/zinc/39/01/67/1053390167.db2.gz RUUGDKBILKGDNW-HNNXBMFYSA-N 1 1 334.533 4.158 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)c1=S ZINC000764956167 1053390183 /nfs/dbraw/zinc/39/01/83/1053390183.db2.gz RUUGDKBILKGDNW-HNNXBMFYSA-N 1 1 334.533 4.158 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001195423737 1053410769 /nfs/dbraw/zinc/41/07/69/1053410769.db2.gz FOWAZPAWCQGTBR-QFIPXVFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001195423737 1053410778 /nfs/dbraw/zinc/41/07/78/1053410778.db2.gz FOWAZPAWCQGTBR-QFIPXVFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001195423737 1053410782 /nfs/dbraw/zinc/41/07/82/1053410782.db2.gz FOWAZPAWCQGTBR-QFIPXVFZSA-N 1 1 333.479 4.043 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000794819763 1053436045 /nfs/dbraw/zinc/43/60/45/1053436045.db2.gz XQUZQTYYGSIFSV-FQEVSTJZSA-N 1 1 346.409 4.050 20 30 EIEDMO CCC[N@H+]1CCc2c(N)sc(NC=Cc3ccc(C#N)cc3)c2C1 ZINC001203301820 1053438753 /nfs/dbraw/zinc/43/87/53/1053438753.db2.gz HWPJERORKMOEJB-VQHVLOKHSA-N 1 1 338.480 4.053 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000615438837 1053456118 /nfs/dbraw/zinc/45/61/18/1053456118.db2.gz FVCWQPCUIJEDHW-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000615438837 1053456125 /nfs/dbraw/zinc/45/61/25/1053456125.db2.gz FVCWQPCUIJEDHW-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000615438837 1053456132 /nfs/dbraw/zinc/45/61/32/1053456132.db2.gz FVCWQPCUIJEDHW-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO C[N@@H+](CCc1cccc(Cl)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877134 1053513800 /nfs/dbraw/zinc/51/38/00/1053513800.db2.gz RPJXUGNCQRKCNG-QGZVFWFLSA-N 1 1 349.261 4.073 20 30 EIEDMO N#Cc1ccc(CC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000851808547 1053521099 /nfs/dbraw/zinc/52/10/99/1053521099.db2.gz IKCJUCOSWROACB-PMACEKPBSA-N 1 1 338.451 4.062 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Cl)c1ccccc1 ZINC000865513598 1053532791 /nfs/dbraw/zinc/53/27/91/1053532791.db2.gz ZVHJQBWUOUWQHM-QGZVFWFLSA-N 1 1 329.827 4.211 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000776580304 1053563399 /nfs/dbraw/zinc/56/33/99/1053563399.db2.gz SYZCTVZEWXASSC-MRXNPFEDSA-N 1 1 335.289 4.396 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000776580303 1053563515 /nfs/dbraw/zinc/56/35/15/1053563515.db2.gz SYZCTVZEWXASSC-INIZCTEOSA-N 1 1 335.289 4.396 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852333192 1053571235 /nfs/dbraw/zinc/57/12/35/1053571235.db2.gz ZJZLEEUPSQQZJX-UGKGYDQZSA-N 1 1 331.463 4.059 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852333192 1053571242 /nfs/dbraw/zinc/57/12/42/1053571242.db2.gz ZJZLEEUPSQQZJX-UGKGYDQZSA-N 1 1 331.463 4.059 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314629 1053630093 /nfs/dbraw/zinc/63/00/93/1053630093.db2.gz WKOLWHXZZCWRMG-CQSZACIVSA-N 1 1 347.384 4.425 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866229106 1053656996 /nfs/dbraw/zinc/65/69/96/1053656996.db2.gz NACMGKINDXCCBH-MEDUHNTESA-N 1 1 328.412 4.291 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1c(F)cccc1F ZINC000338956586 1053688508 /nfs/dbraw/zinc/68/85/08/1053688508.db2.gz KPXVLAJKAGJLLO-CQSZACIVSA-N 1 1 330.378 4.498 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1O ZINC000866369167 1053706099 /nfs/dbraw/zinc/70/60/99/1053706099.db2.gz BGJUXDSXKHFVHZ-OTYXRUKQSA-N 1 1 332.325 4.019 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001196984137 1053817327 /nfs/dbraw/zinc/81/73/27/1053817327.db2.gz YDKMAXMJKDBYKE-QAPCUYQASA-N 1 1 330.435 4.375 20 30 EIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000121216250 1053823917 /nfs/dbraw/zinc/82/39/17/1053823917.db2.gz VUKBZVGNMHNKMR-CQSZACIVSA-N 1 1 344.842 4.271 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001197177081 1053848232 /nfs/dbraw/zinc/84/82/32/1053848232.db2.gz KNSCKLHQLLCVFW-VJBWXMMDSA-N 1 1 346.474 4.351 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130739939 1053861568 /nfs/dbraw/zinc/86/15/68/1053861568.db2.gz KMJKTIWHVQBGIL-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO CCCCCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001197317412 1053872144 /nfs/dbraw/zinc/87/21/44/1053872144.db2.gz SWTGEYQCBLLGDR-SFHVURJKSA-N 1 1 331.504 4.483 20 30 EIEDMO CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197314871 1053872722 /nfs/dbraw/zinc/87/27/22/1053872722.db2.gz GCJIBGLFFITVKY-AWEZNQCLSA-N 1 1 331.872 4.436 20 30 EIEDMO CC1(C)[C@H](c2ccccc2Cl)CC[N@H+]1Cc1nc(C#N)cs1 ZINC001197314871 1053872723 /nfs/dbraw/zinc/87/27/23/1053872723.db2.gz GCJIBGLFFITVKY-AWEZNQCLSA-N 1 1 331.872 4.436 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000776849479 1054007364 /nfs/dbraw/zinc/00/73/64/1054007364.db2.gz LALLGLZSHCQQLQ-GSPCLOLRSA-N 1 1 346.474 4.250 20 30 EIEDMO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885912 1054014785 /nfs/dbraw/zinc/01/47/85/1054014785.db2.gz XHVNPSLCZCVXGS-LBPRGKRZSA-N 1 1 329.259 4.429 20 30 EIEDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885912 1054014790 /nfs/dbraw/zinc/01/47/90/1054014790.db2.gz XHVNPSLCZCVXGS-LBPRGKRZSA-N 1 1 329.259 4.429 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000186164917 1054023986 /nfs/dbraw/zinc/02/39/86/1054023986.db2.gz WVFTUDHHOMQMHT-SFHVURJKSA-N 1 1 326.465 4.109 20 30 EIEDMO C#CC[N@H+](C[C@H](Cc1ccccc1)OC)[C@H]1CCCc2ccccc21 ZINC001198104766 1054079486 /nfs/dbraw/zinc/07/94/86/1054079486.db2.gz RPVCRJTYGZYTEC-GMAHTHKFSA-N 1 1 333.475 4.257 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000123455231 1054149846 /nfs/dbraw/zinc/14/98/46/1054149846.db2.gz MAPABKWTRRGICB-FQEVSTJZSA-N 1 1 348.471 4.356 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011543 1054395820 /nfs/dbraw/zinc/39/58/20/1054395820.db2.gz WAAYMEZDOKOWLI-GOSISDBHSA-N 1 1 327.472 4.132 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024017 1054403973 /nfs/dbraw/zinc/40/39/73/1054403973.db2.gz SYYUZMZUKUGYTQ-HRAATJIYSA-N 1 1 347.462 4.435 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000872181658 1054422939 /nfs/dbraw/zinc/42/29/39/1054422939.db2.gz OKZNTXQBKMQVGM-WDEREUQCSA-N 1 1 349.715 4.290 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2ccc(Cl)cc2)no1 ZINC000872182168 1054423589 /nfs/dbraw/zinc/42/35/89/1054423589.db2.gz HASHCPAIXYRDOF-GFCCVEGCSA-N 1 1 326.227 4.191 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc(OC)c1O ZINC000872261455 1054427055 /nfs/dbraw/zinc/42/70/55/1054427055.db2.gz FHXRFYRBRPOAEE-LJQANCHMSA-N 1 1 345.483 4.053 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776002509 1054436857 /nfs/dbraw/zinc/43/68/57/1054436857.db2.gz FBVCXQIODQHWRY-FXAWDEMLSA-N 1 1 325.452 4.283 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000776013422 1054438401 /nfs/dbraw/zinc/43/84/01/1054438401.db2.gz GPMNEPTWKPJUJJ-HSZRJFAPSA-N 1 1 347.458 4.110 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060371 1054449734 /nfs/dbraw/zinc/44/97/34/1054449734.db2.gz PSIGVTMUDCIQIS-GOSISDBHSA-N 1 1 349.409 4.222 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282209470 1054612185 /nfs/dbraw/zinc/61/21/85/1054612185.db2.gz XULJOFJNIHRQOX-VQIMIIECSA-N 1 1 334.467 4.032 20 30 EIEDMO N#CCc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001201474246 1054827909 /nfs/dbraw/zinc/82/79/09/1054827909.db2.gz BAEVOKLCJUTSOV-YADHBBJMSA-N 1 1 329.447 4.485 20 30 EIEDMO CCCCCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001201630951 1054860860 /nfs/dbraw/zinc/86/08/60/1054860860.db2.gz JPFDMBURXVSQSM-LJQANCHMSA-N 1 1 335.536 4.492 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001201814142 1054910681 /nfs/dbraw/zinc/91/06/81/1054910681.db2.gz MFQSQAODCYOMPN-UHFFFAOYSA-N 1 1 346.563 4.088 20 30 EIEDMO CCCCCCCC[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001201814142 1054910692 /nfs/dbraw/zinc/91/06/92/1054910692.db2.gz MFQSQAODCYOMPN-UHFFFAOYSA-N 1 1 346.563 4.088 20 30 EIEDMO CCCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001201813858 1054911380 /nfs/dbraw/zinc/91/13/80/1054911380.db2.gz KKGJSQKCXJALPD-IRLDBZIGSA-N 1 1 342.527 4.295 20 30 EIEDMO CCCCCCCC[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001201813612 1054911776 /nfs/dbraw/zinc/91/17/76/1054911776.db2.gz HBYMAFCDZDORJX-UHFFFAOYSA-N 1 1 346.563 4.211 20 30 EIEDMO CCCCCCCCN1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001201813612 1054911791 /nfs/dbraw/zinc/91/17/91/1054911791.db2.gz HBYMAFCDZDORJX-UHFFFAOYSA-N 1 1 346.563 4.211 20 30 EIEDMO CCCCCCCCN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201813612 1054911804 /nfs/dbraw/zinc/91/18/04/1054911804.db2.gz HBYMAFCDZDORJX-UHFFFAOYSA-N 1 1 346.563 4.211 20 30 EIEDMO CCCCCCC[N@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776866 1054917575 /nfs/dbraw/zinc/91/75/75/1054917575.db2.gz OJNQMVDOPWUIMN-PCCBWWKXSA-N 1 1 346.515 4.048 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001201826414 1054925631 /nfs/dbraw/zinc/92/56/31/1054925631.db2.gz VVKXXQBDYSAZRE-UHFFFAOYSA-N 1 1 343.471 4.367 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001201839364 1054931603 /nfs/dbraw/zinc/93/16/03/1054931603.db2.gz MLWKVGQHIOGCLA-KURKYZTESA-N 1 1 335.492 4.423 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCCCCCCCC ZINC001201847272 1054934550 /nfs/dbraw/zinc/93/45/50/1054934550.db2.gz UIIKCZHTEJKQQB-LJQANCHMSA-N 1 1 333.520 4.273 20 30 EIEDMO C=CCN1CC[C@@]2(CCC[N@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201977663 1054955174 /nfs/dbraw/zinc/95/51/74/1054955174.db2.gz VRWDTBLMPTYFIB-PZJWPPBQSA-N 1 1 332.532 4.260 20 30 EIEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c(OC(C)(C)C)c1 ZINC000877092415 1055016998 /nfs/dbraw/zinc/01/69/98/1055016998.db2.gz BWBGMRXCGDFKAR-UHFFFAOYSA-N 1 1 343.858 4.382 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552341 1055079313 /nfs/dbraw/zinc/07/93/13/1055079313.db2.gz CRTXCEMHSDJAIS-KURKYZTESA-N 1 1 349.519 4.038 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000877660532 1055101312 /nfs/dbraw/zinc/10/13/12/1055101312.db2.gz NEEHZKVIVKRZLF-UHFFFAOYSA-N 1 1 339.748 4.001 20 30 EIEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126641028 1055107237 /nfs/dbraw/zinc/10/72/37/1055107237.db2.gz ZTIPXEXKDYOOKT-QGZVFWFLSA-N 1 1 335.234 4.030 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822550 1055128245 /nfs/dbraw/zinc/12/82/45/1055128245.db2.gz RJWHLRDHZGNACD-CJNGLKHVSA-N 1 1 340.389 4.029 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903636 1055149302 /nfs/dbraw/zinc/14/93/02/1055149302.db2.gz ZILHSWGVTIEIMZ-ICSRJNTNSA-N 1 1 338.476 4.326 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951909 1055160754 /nfs/dbraw/zinc/16/07/54/1055160754.db2.gz UHDJVWKKIKVVCW-FGZHOGPDSA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](CC1CC1)C1CCCCC1)c1ccccc1 ZINC000878045876 1055179761 /nfs/dbraw/zinc/17/97/61/1055179761.db2.gz NPVVYUSDLNUUAD-JOCHJYFZSA-N 1 1 338.495 4.472 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159573 1055196252 /nfs/dbraw/zinc/19/62/52/1055196252.db2.gz YZKOMXUITAIYSO-QFIPXVFZSA-N 1 1 346.430 4.305 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159573 1055196261 /nfs/dbraw/zinc/19/62/61/1055196261.db2.gz YZKOMXUITAIYSO-QFIPXVFZSA-N 1 1 346.430 4.305 20 30 EIEDMO CN(C)c1ccc(C=[NH+]Nc2ccc3n[nH]cc3c2)c(C(F)(F)F)c1 ZINC000794530878 1055200472 /nfs/dbraw/zinc/20/04/72/1055200472.db2.gz PPPJBAXOBIDBLI-UHFFFAOYSA-N 1 1 347.344 4.094 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405590 1055294424 /nfs/dbraw/zinc/29/44/24/1055294424.db2.gz IHBRZFCKTOVZGA-JTHBVZDNSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2c(C)cc(C)cc2C1)c1ccccc1 ZINC000878458289 1055317555 /nfs/dbraw/zinc/31/75/55/1055317555.db2.gz MOAQKFWTVOSRST-QHCPKHFHSA-N 1 1 346.474 4.102 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cc(C)ccc1C)c1ccccc1 ZINC000878510949 1055329364 /nfs/dbraw/zinc/32/93/64/1055329364.db2.gz ULVCVFISLVSRGE-QFIPXVFZSA-N 1 1 334.463 4.176 20 30 EIEDMO Cc1cccc(C[N@H+](CC(=O)Nc2sccc2C#N)CC(C)C)c1 ZINC000553849485 1055849215 /nfs/dbraw/zinc/84/92/15/1055849215.db2.gz HFGZESYDYKOPSP-UHFFFAOYSA-N 1 1 341.480 4.025 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(Cl)ccc2C#N)cc1F ZINC000301215776 1055909077 /nfs/dbraw/zinc/90/90/77/1055909077.db2.gz ZYZIETYDTVDLKS-UHFFFAOYSA-N 1 1 340.789 4.457 20 30 EIEDMO C[C@@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000301365488 1055927255 /nfs/dbraw/zinc/92/72/55/1055927255.db2.gz SCLZGQMMGLFUMV-AWEZNQCLSA-N 1 1 348.475 4.027 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000301433550 1055937587 /nfs/dbraw/zinc/93/75/87/1055937587.db2.gz RGMYDAWWHOFBIH-ACJLOTCBSA-N 1 1 329.444 4.254 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000301699531 1055970393 /nfs/dbraw/zinc/97/03/93/1055970393.db2.gz DZXPYLNAQKKCDS-UNMCSNQZSA-N 1 1 331.463 4.049 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301749541 1055979606 /nfs/dbraw/zinc/97/96/06/1055979606.db2.gz ADQLIHUPVFYCBG-KSSFIOAISA-N 1 1 349.400 4.030 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000302085581 1056015962 /nfs/dbraw/zinc/01/59/62/1056015962.db2.gz DVUHPMWHLFOFBG-UZLBHIALSA-N 1 1 347.462 4.226 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000123350898 1056083808 /nfs/dbraw/zinc/08/38/08/1056083808.db2.gz JAAVZCBJHIHZFR-OAHLLOKOSA-N 1 1 341.480 4.422 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542883118 1056661829 /nfs/dbraw/zinc/66/18/29/1056661829.db2.gz JFDHAWKCNKZXED-MRXNPFEDSA-N 1 1 327.472 4.071 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1Cl ZINC000063499877 1056813923 /nfs/dbraw/zinc/81/39/23/1056813923.db2.gz IATKXMFUNKUBCS-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OCC(C)C ZINC000742382022 1058584120 /nfs/dbraw/zinc/58/41/20/1058584120.db2.gz XVCXABIBAIXJBY-UHFFFAOYSA-N 1 1 342.414 4.031 20 30 EIEDMO C#CC[N@H+](CCC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848047 1059147004 /nfs/dbraw/zinc/14/70/04/1059147004.db2.gz MVCSHRRPHYEKFD-INIZCTEOSA-N 1 1 334.257 4.008 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000743852566 1059154600 /nfs/dbraw/zinc/15/46/00/1059154600.db2.gz PUPMJMZMQSAZGF-GOSISDBHSA-N 1 1 348.874 4.166 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000744131162 1059279666 /nfs/dbraw/zinc/27/96/66/1059279666.db2.gz VUZGWWBNXATWDG-NRFANRHFSA-N 1 1 342.446 4.086 20 30 EIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000744426222 1059482852 /nfs/dbraw/zinc/48/28/52/1059482852.db2.gz ILXAYXVAHYPZDA-ZDUSSCGKSA-N 1 1 326.893 4.206 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000829793604 1059537937 /nfs/dbraw/zinc/53/79/37/1059537937.db2.gz JSBBEGKMULAASH-ZDUSSCGKSA-N 1 1 339.266 4.057 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000745942765 1059916697 /nfs/dbraw/zinc/91/66/97/1059916697.db2.gz RGTSHELWMGLLDG-OAHLLOKOSA-N 1 1 328.403 4.489 20 30 EIEDMO CC(C)n1ccn(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1=S ZINC000746033482 1059977604 /nfs/dbraw/zinc/97/76/04/1059977604.db2.gz VELTXPVAENXQFE-UHFFFAOYSA-N 1 1 328.485 4.340 20 30 EIEDMO CC(C)n1ccn(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1=S ZINC000746033482 1059977621 /nfs/dbraw/zinc/97/76/21/1059977621.db2.gz VELTXPVAENXQFE-UHFFFAOYSA-N 1 1 328.485 4.340 20 30 EIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1OC(F)F)C(C)C ZINC000746101821 1060021740 /nfs/dbraw/zinc/02/17/40/1060021740.db2.gz SHRYYUCFYVMZDB-UHFFFAOYSA-N 1 1 334.204 4.447 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000746125376 1060035915 /nfs/dbraw/zinc/03/59/15/1060035915.db2.gz HDCRKKPQJOCCRH-LLGFUMIMSA-N 1 1 347.462 4.153 20 30 EIEDMO C=CCC1(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CCCC1 ZINC001273438773 1060098442 /nfs/dbraw/zinc/09/84/42/1060098442.db2.gz QAWTZKBGXQGGQF-UHFFFAOYSA-N 1 1 340.511 4.294 20 30 EIEDMO CC(C)Oc1cccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)c1 ZINC001168887388 1060505283 /nfs/dbraw/zinc/50/52/83/1060505283.db2.gz YYPCRXWHXHTKOQ-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168939592 1060534077 /nfs/dbraw/zinc/53/40/77/1060534077.db2.gz GSDQDBATQRYPTH-LJQANCHMSA-N 1 1 346.515 4.088 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC001169261978 1060710064 /nfs/dbraw/zinc/71/00/64/1060710064.db2.gz SPIJRDCREQRRAF-QFIPXVFZSA-N 1 1 341.495 4.211 20 30 EIEDMO CC[C@H](C[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483873 1060827834 /nfs/dbraw/zinc/82/78/34/1060827834.db2.gz XVUVCCOLWVSMOA-QGZVFWFLSA-N 1 1 337.423 4.482 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169629349 1060877253 /nfs/dbraw/zinc/87/72/53/1060877253.db2.gz TXQLTQOEZCTENV-ZLNRFVROSA-N 1 1 348.490 4.470 20 30 EIEDMO C=CC[C@@H]1[N@@H+](CCC2CN(C(=O)OC(C)(C)C)C2)CCCC1(C)C ZINC001169844004 1060993845 /nfs/dbraw/zinc/99/38/45/1060993845.db2.gz JAYPDEJVOGERET-KRWDZBQOSA-N 1 1 336.520 4.310 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000766895427 1061056255 /nfs/dbraw/zinc/05/62/55/1061056255.db2.gz LAOVXYVFLOMHBB-UHFFFAOYSA-N 1 1 349.478 4.189 20 30 EIEDMO N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121668 /nfs/dbraw/zinc/12/16/68/1032121668.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 1 1 345.490 4.045 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000449933460 1032137004 /nfs/dbraw/zinc/13/70/04/1032137004.db2.gz BHAPTQNTQYIRRG-SJLPKXTDSA-N 1 1 346.540 4.384 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000237608035 1032234070 /nfs/dbraw/zinc/23/40/70/1032234070.db2.gz HEXAHNWQOGRASC-IIBYNOLFSA-N 1 1 332.403 4.450 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340556 1032291238 /nfs/dbraw/zinc/29/12/38/1032291238.db2.gz AQIYOSDAORKXEA-CYBMUJFWSA-N 1 1 338.436 4.253 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccsc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340556 1032291264 /nfs/dbraw/zinc/29/12/64/1032291264.db2.gz AQIYOSDAORKXEA-CYBMUJFWSA-N 1 1 338.436 4.253 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000532913265 1032386222 /nfs/dbraw/zinc/38/62/22/1032386222.db2.gz JDRQBFNSSMBHGO-KRWDZBQOSA-N 1 1 328.456 4.215 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000532913265 1032386231 /nfs/dbraw/zinc/38/62/31/1032386231.db2.gz JDRQBFNSSMBHGO-KRWDZBQOSA-N 1 1 328.456 4.215 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000532928840 1032394120 /nfs/dbraw/zinc/39/41/20/1032394120.db2.gz RYVXCAVHWUPPKR-GJZGRUSLSA-N 1 1 347.528 4.243 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000532934924 1032411234 /nfs/dbraw/zinc/41/12/34/1032411234.db2.gz JMFMNTXORQEQHM-FQEVSTJZSA-N 1 1 335.451 4.360 20 30 EIEDMO CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(C#N)cc1 ZINC000508630030 1032415097 /nfs/dbraw/zinc/41/50/97/1032415097.db2.gz CIUYTYCIIYCWBP-UHFFFAOYSA-N 1 1 348.475 4.489 20 30 EIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)cc1OC ZINC000450341138 1032431833 /nfs/dbraw/zinc/43/18/33/1032431833.db2.gz YYJUSQHFLYCLSV-SFHVURJKSA-N 1 1 342.483 4.185 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1C#N ZINC000533079619 1032481135 /nfs/dbraw/zinc/48/11/35/1032481135.db2.gz PRBXUJLCGATRJQ-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO N#CC1(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)CCC1 ZINC000450562248 1032557900 /nfs/dbraw/zinc/55/79/00/1032557900.db2.gz QWJYYVOETDIAPV-UHFFFAOYSA-N 1 1 334.463 4.154 20 30 EIEDMO N#CC1(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)CCC1 ZINC000450562248 1032557904 /nfs/dbraw/zinc/55/79/04/1032557904.db2.gz QWJYYVOETDIAPV-UHFFFAOYSA-N 1 1 334.463 4.154 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000533233881 1032561637 /nfs/dbraw/zinc/56/16/37/1032561637.db2.gz PZGLFOFHOMMRAY-ZDUSSCGKSA-N 1 1 346.377 4.361 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000533248147 1032565647 /nfs/dbraw/zinc/56/56/47/1032565647.db2.gz MGENZSHXUURYNM-HNNXBMFYSA-N 1 1 339.414 4.109 20 30 EIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1=Cc2ccccc2OC1 ZINC000512380185 1032586912 /nfs/dbraw/zinc/58/69/12/1032586912.db2.gz XFKBARWTSKZSHC-UHFFFAOYSA-N 1 1 336.391 4.059 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1=Cc2ccccc2OC1 ZINC000512380185 1032586922 /nfs/dbraw/zinc/58/69/22/1032586922.db2.gz XFKBARWTSKZSHC-UHFFFAOYSA-N 1 1 336.391 4.059 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288563 1032601238 /nfs/dbraw/zinc/60/12/38/1032601238.db2.gz OPRQJBMBLRPQRY-IRXDYDNUSA-N 1 1 334.529 4.478 20 30 EIEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000450661380 1032629895 /nfs/dbraw/zinc/62/98/95/1032629895.db2.gz DTIMWAACJULHAK-HNNXBMFYSA-N 1 1 328.456 4.361 20 30 EIEDMO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccn1 ZINC000533309166 1032641735 /nfs/dbraw/zinc/64/17/35/1032641735.db2.gz JLBZJTGMMHVRIF-OAHLLOKOSA-N 1 1 341.430 4.196 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410390 1032706515 /nfs/dbraw/zinc/70/65/15/1032706515.db2.gz RUVBSYKFTPSBSS-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410390 1032706526 /nfs/dbraw/zinc/70/65/26/1032706526.db2.gz RUVBSYKFTPSBSS-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427859 1032744402 /nfs/dbraw/zinc/74/44/02/1032744402.db2.gz NSKLLILUAIZZTG-YJBOKZPZSA-N 1 1 339.401 4.072 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000533466987 1032784482 /nfs/dbraw/zinc/78/44/82/1032784482.db2.gz FUOWRYCUCCNSLJ-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000187086261 1019214500 /nfs/dbraw/zinc/21/45/00/1019214500.db2.gz VNTARPGARQKKNO-QGZVFWFLSA-N 1 1 340.854 4.250 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000187086261 1019214517 /nfs/dbraw/zinc/21/45/17/1019214517.db2.gz VNTARPGARQKKNO-QGZVFWFLSA-N 1 1 340.854 4.250 20 30 EIEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC000064801658 1019216183 /nfs/dbraw/zinc/21/61/83/1019216183.db2.gz BKAUAUIAAKUQRS-UHFFFAOYSA-N 1 1 346.471 4.067 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655054872 1019272557 /nfs/dbraw/zinc/27/25/57/1019272557.db2.gz FQZLMRGJARAJFN-HXUWFJFHSA-N 1 1 334.463 4.266 20 30 EIEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccco1 ZINC000236629726 1032822803 /nfs/dbraw/zinc/82/28/03/1032822803.db2.gz XIZONLFGQWNNKQ-APWZRJJASA-N 1 1 342.439 4.074 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157573753 1019491357 /nfs/dbraw/zinc/49/13/57/1019491357.db2.gz GTOKDHJIGMPDMU-MRXNPFEDSA-N 1 1 347.418 4.088 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430247346 1019624602 /nfs/dbraw/zinc/62/46/02/1019624602.db2.gz GPJQKASKAQNGAV-UHFFFAOYSA-N 1 1 325.456 4.330 20 30 EIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(C#N)cc1 ZINC000394785645 1019645193 /nfs/dbraw/zinc/64/51/93/1019645193.db2.gz GJZBQXQNDIGHNA-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO CC1(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000339709569 1019838220 /nfs/dbraw/zinc/83/82/20/1019838220.db2.gz DWEPXUOUIWAXAI-AZUAARDMSA-N 1 1 349.478 4.248 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001209432878 1020328257 /nfs/dbraw/zinc/32/82/57/1020328257.db2.gz LUVPWCRTUFSPQB-GOSISDBHSA-N 1 1 335.513 4.016 20 30 EIEDMO C=CCCCCCC[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001209436021 1020335592 /nfs/dbraw/zinc/33/55/92/1020335592.db2.gz MJPXMIYJYOHCAM-UHFFFAOYSA-N 1 1 336.483 4.076 20 30 EIEDMO C=CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001209439772 1020343271 /nfs/dbraw/zinc/34/32/71/1020343271.db2.gz YOSUQCICYRWANN-RBBKRZOGSA-N 1 1 340.511 4.119 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CCc2ncn(C)c2[C@H]1COCC=C ZINC001209443872 1020353444 /nfs/dbraw/zinc/35/34/44/1020353444.db2.gz GVLMQSOJZLQOHP-HXUWFJFHSA-N 1 1 345.531 4.439 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CCc2ncn(C)c2[C@@H]1COCC=C ZINC001209443870 1020354419 /nfs/dbraw/zinc/35/44/19/1020354419.db2.gz GVLMQSOJZLQOHP-FQEVSTJZSA-N 1 1 345.531 4.439 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430310018 1020365906 /nfs/dbraw/zinc/36/59/06/1020365906.db2.gz ZIAXTULQLCTIKG-UHFFFAOYSA-N 1 1 336.483 4.241 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528197 1020863046 /nfs/dbraw/zinc/86/30/46/1020863046.db2.gz XXXMTQWWFGJRNN-INIZCTEOSA-N 1 1 330.501 4.110 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)CCOCC1 ZINC000375621572 1020985517 /nfs/dbraw/zinc/98/55/17/1020985517.db2.gz URHWKXGRTVKBHC-SFHVURJKSA-N 1 1 346.902 4.305 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC001167318066 1021069692 /nfs/dbraw/zinc/06/96/92/1021069692.db2.gz CSZYDPFDVZUANV-KRWDZBQOSA-N 1 1 340.810 4.277 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC001167318066 1021069697 /nfs/dbraw/zinc/06/96/97/1021069697.db2.gz CSZYDPFDVZUANV-KRWDZBQOSA-N 1 1 340.810 4.277 20 30 EIEDMO Cc1ccc(C#N)cc1Nc1c[nH+]c2ccc(Br)cn12 ZINC001210495436 1021128342 /nfs/dbraw/zinc/12/83/42/1021128342.db2.gz SHHZRHUSKOYIHW-UHFFFAOYSA-N 1 1 327.185 4.021 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000610367485 1021542024 /nfs/dbraw/zinc/54/20/24/1021542024.db2.gz JORDGSQCKKTUAO-JLSDUUJJSA-N 1 1 336.439 4.009 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000610367487 1021543823 /nfs/dbraw/zinc/54/38/23/1021543823.db2.gz JORDGSQCKKTUAO-ZTFGCOKTSA-N 1 1 336.439 4.009 20 30 EIEDMO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)c1 ZINC000580390346 1021785040 /nfs/dbraw/zinc/78/50/40/1021785040.db2.gz LUTTXUUNSUMPKW-CYBMUJFWSA-N 1 1 341.842 4.411 20 30 EIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(C)c(F)c(C)c1)CCO2 ZINC001143379969 1021878315 /nfs/dbraw/zinc/87/83/15/1021878315.db2.gz XFYSNOHNXSJVMU-TZIWHRDSSA-N 1 1 347.474 4.016 20 30 EIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(C)c(F)c(C)c1)CCO2 ZINC001143379969 1021878317 /nfs/dbraw/zinc/87/83/17/1021878317.db2.gz XFYSNOHNXSJVMU-TZIWHRDSSA-N 1 1 347.474 4.016 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377833416 1022037851 /nfs/dbraw/zinc/03/78/51/1022037851.db2.gz DOQZXTNNPOQXPX-ICSRJNTNSA-N 1 1 342.483 4.008 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000561130753 1022072090 /nfs/dbraw/zinc/07/20/90/1022072090.db2.gz HLSVPFSXEBDUCR-QFIPXVFZSA-N 1 1 337.511 4.322 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC001167412534 1022105336 /nfs/dbraw/zinc/10/53/36/1022105336.db2.gz MQICIIDJHDIMLW-QRWLVFNGSA-N 1 1 338.476 4.245 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000187794142 1022390836 /nfs/dbraw/zinc/39/08/36/1022390836.db2.gz JDSQIFHUMSSHEV-GOSISDBHSA-N 1 1 349.352 4.298 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OC)s1)c1ccc(F)c(F)c1 ZINC000187794182 1022393069 /nfs/dbraw/zinc/39/30/69/1022393069.db2.gz VJTUONBLQPQXIS-MRXNPFEDSA-N 1 1 337.391 4.220 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(Cl)nc3Cl)sc2C1 ZINC001211271667 1022398932 /nfs/dbraw/zinc/39/89/32/1022398932.db2.gz VDLJIYNSQJYYOX-UHFFFAOYSA-N 1 1 339.251 4.053 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000584558240 1022416544 /nfs/dbraw/zinc/41/65/44/1022416544.db2.gz GSGYVLBYLLMBDV-HXUWFJFHSA-N 1 1 338.838 4.181 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939472 1022500245 /nfs/dbraw/zinc/50/02/45/1022500245.db2.gz MLKKBRFJBMTMQK-UNMCSNQZSA-N 1 1 337.463 4.122 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000180335321 1022561395 /nfs/dbraw/zinc/56/13/95/1022561395.db2.gz BDQLHSWWSHSAOY-UHFFFAOYSA-N 1 1 349.415 4.485 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659921350 1022572504 /nfs/dbraw/zinc/57/25/04/1022572504.db2.gz WCHQXHPONCVTRV-LJQANCHMSA-N 1 1 334.548 4.339 20 30 EIEDMO CC[C@H](CC(F)F)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970916 1022792422 /nfs/dbraw/zinc/79/24/22/1022792422.db2.gz SDIQCTWRSGLMER-HLTSFMKQSA-N 1 1 327.259 4.340 20 30 EIEDMO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065496 1022856374 /nfs/dbraw/zinc/85/63/74/1022856374.db2.gz XZENSHBJDREWAS-NQIIRXRSSA-N 1 1 333.479 4.121 20 30 EIEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177190248 1022887007 /nfs/dbraw/zinc/88/70/07/1022887007.db2.gz WHCWHVZLVDHJDW-UHFFFAOYSA-N 1 1 338.398 4.347 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cncc(C#N)c2)cc1 ZINC001167708190 1023019478 /nfs/dbraw/zinc/01/94/78/1023019478.db2.gz LGDUOEMQNXGRLT-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cncc(C#N)c2)cc1 ZINC001167708190 1023019483 /nfs/dbraw/zinc/01/94/83/1023019483.db2.gz LGDUOEMQNXGRLT-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376739062 1023277376 /nfs/dbraw/zinc/27/73/76/1023277376.db2.gz WLDFABGHSSXRKP-HNNXBMFYSA-N 1 1 325.843 4.353 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659816347 1023291306 /nfs/dbraw/zinc/29/13/06/1023291306.db2.gz QMXCXFVEZSNPPA-MRXNPFEDSA-N 1 1 334.529 4.021 20 30 EIEDMO C[NH+](C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518570 1023324656 /nfs/dbraw/zinc/32/46/56/1023324656.db2.gz IWXUYVQSZZOAIB-PMACEKPBSA-N 1 1 339.870 4.091 20 30 EIEDMO C=CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC1CCCCC1 ZINC000549137328 1023364887 /nfs/dbraw/zinc/36/48/87/1023364887.db2.gz QGXQDEXIOQPNRS-FQEVSTJZSA-N 1 1 340.511 4.217 20 30 EIEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226004 1023400804 /nfs/dbraw/zinc/40/08/04/1023400804.db2.gz VERWFQBAFFFUCE-NVXWUHKLSA-N 1 1 347.890 4.097 20 30 EIEDMO C[N@@H+](CCc1nccs1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000157846484 1023472840 /nfs/dbraw/zinc/47/28/40/1023472840.db2.gz RVJJPSKSDZGAHB-UHFFFAOYSA-N 1 1 333.460 4.356 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC001167746487 1023490490 /nfs/dbraw/zinc/49/04/90/1023490490.db2.gz WWISRZNJKKMLGF-JOCHJYFZSA-N 1 1 327.431 4.007 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC000472752442 1023502282 /nfs/dbraw/zinc/50/22/82/1023502282.db2.gz PNRQROKEMWYWOW-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377395144 1023512068 /nfs/dbraw/zinc/51/20/68/1023512068.db2.gz ATVYARGZMZNLSR-IRXDYDNUSA-N 1 1 346.434 4.014 20 30 EIEDMO CC(C)[N@@H+]1CCc2nc(/C=C3/C(=O)c4ccccc4[C@H]3C)sc2C1 ZINC000377430302 1023532770 /nfs/dbraw/zinc/53/27/70/1023532770.db2.gz UZTJLDHKWITLEQ-BVTUPMQUSA-N 1 1 338.476 4.293 20 30 EIEDMO CC(C)[N@H+]1CCc2nc(/C=C3/C(=O)c4ccccc4[C@H]3C)sc2C1 ZINC000377430302 1023532779 /nfs/dbraw/zinc/53/27/79/1023532779.db2.gz UZTJLDHKWITLEQ-BVTUPMQUSA-N 1 1 338.476 4.293 20 30 EIEDMO CCCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCC2)cc1OCC ZINC000418145622 1023560257 /nfs/dbraw/zinc/56/02/57/1023560257.db2.gz YMAHMCPTQKDBNW-UHFFFAOYSA-N 1 1 336.863 4.311 20 30 EIEDMO COc1cc(C[NH2+]Cc2csc(Cl)c2Cl)ccc1C#N ZINC000566591310 1023561653 /nfs/dbraw/zinc/56/16/53/1023561653.db2.gz XDMUMGNYCLKWTO-UHFFFAOYSA-N 1 1 327.236 4.225 20 30 EIEDMO CSCc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418145810 1023564364 /nfs/dbraw/zinc/56/43/64/1023564364.db2.gz OEPNLPBQJVBFJU-MRXNPFEDSA-N 1 1 329.494 4.045 20 30 EIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000500186255 1023575233 /nfs/dbraw/zinc/57/52/33/1023575233.db2.gz QBDQYOJGHBMNLK-OALUTQOASA-N 1 1 349.906 4.023 20 30 EIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000500186255 1023575237 /nfs/dbraw/zinc/57/52/37/1023575237.db2.gz QBDQYOJGHBMNLK-OALUTQOASA-N 1 1 349.906 4.023 20 30 EIEDMO CCOc1c(Cl)cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000127292332 1023690139 /nfs/dbraw/zinc/69/01/39/1023690139.db2.gz MKAFNMZTXSLWCD-UHFFFAOYSA-N 1 1 344.842 4.251 20 30 EIEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000472838552 1023697693 /nfs/dbraw/zinc/69/76/93/1023697693.db2.gz ZKRXJRYGIDKGID-GOSISDBHSA-N 1 1 327.472 4.178 20 30 EIEDMO CCN(Cc1ccc(C#N)s1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000511667437 1023826045 /nfs/dbraw/zinc/82/60/45/1023826045.db2.gz OIUBGCLQOQPLDG-WMZOPIPTSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511667437 1023826046 /nfs/dbraw/zinc/82/60/46/1023826046.db2.gz OIUBGCLQOQPLDG-WMZOPIPTSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511667437 1023826050 /nfs/dbraw/zinc/82/60/50/1023826050.db2.gz OIUBGCLQOQPLDG-WMZOPIPTSA-N 1 1 339.508 4.277 20 30 EIEDMO CCN(Cc1cc(C#N)cs1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511668111 1023828408 /nfs/dbraw/zinc/82/84/08/1023828408.db2.gz RLZAVZVXMXPTTA-APWZRJJASA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511668111 1023828411 /nfs/dbraw/zinc/82/84/11/1023828411.db2.gz RLZAVZVXMXPTTA-APWZRJJASA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511668111 1023828417 /nfs/dbraw/zinc/82/84/17/1023828417.db2.gz RLZAVZVXMXPTTA-APWZRJJASA-N 1 1 339.508 4.277 20 30 EIEDMO N#Cc1c(Cl)cccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000511683821 1023830395 /nfs/dbraw/zinc/83/03/95/1023830395.db2.gz UTBDVOASOLCTNZ-YVMONPNESA-N 1 1 337.854 4.047 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000549547769 1024255191 /nfs/dbraw/zinc/25/51/91/1024255191.db2.gz MCQHGVWWCYVMHJ-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC(C)(C#N)CC1 ZINC000893470789 1024277367 /nfs/dbraw/zinc/27/73/67/1024277367.db2.gz MNFXBPNUFRMYFK-UHFFFAOYSA-N 1 1 335.473 4.221 20 30 EIEDMO C[C@@H](c1ccccn1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702021 1024345188 /nfs/dbraw/zinc/34/51/88/1024345188.db2.gz GMFYVILYQYMIJV-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702021 1024345206 /nfs/dbraw/zinc/34/52/06/1024345206.db2.gz GMFYVILYQYMIJV-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO O=C(c1ccccc1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426364941 1024383550 /nfs/dbraw/zinc/38/35/50/1024383550.db2.gz JJPDWRVHYSSTSO-UHFFFAOYSA-N 1 1 337.850 4.286 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccc(Br)cc2n1C ZINC000662091291 1024860221 /nfs/dbraw/zinc/86/02/21/1024860221.db2.gz WPTAZCUJXQRANI-OKILXGFUSA-N 1 1 346.272 4.019 20 30 EIEDMO CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000330250107 1024879701 /nfs/dbraw/zinc/87/97/01/1024879701.db2.gz HAEZIRWIIVBPBQ-CHWSQXEVSA-N 1 1 331.485 4.207 20 30 EIEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000662132331 1024881121 /nfs/dbraw/zinc/88/11/21/1024881121.db2.gz DCYSASMIVPNNEF-ALOPSCKCSA-N 1 1 335.451 4.001 20 30 EIEDMO C=CCC1(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000188531349 1025016015 /nfs/dbraw/zinc/01/60/15/1025016015.db2.gz QBCPYWUBDRQOKC-HXUWFJFHSA-N 1 1 340.511 4.103 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000535848252 1025117593 /nfs/dbraw/zinc/11/75/93/1025117593.db2.gz MJBSYFXOPZCLIN-JOCHJYFZSA-N 1 1 348.490 4.261 20 30 EIEDMO N#Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)ccn1 ZINC000610955971 1025167107 /nfs/dbraw/zinc/16/71/07/1025167107.db2.gz LAEOYISQDZQQAI-HXUWFJFHSA-N 1 1 333.822 4.486 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967569 1025172387 /nfs/dbraw/zinc/17/23/87/1025172387.db2.gz IFQUFWBISBCBDA-GOSISDBHSA-N 1 1 345.446 4.428 20 30 EIEDMO C=C[C@H](CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181549588 1025242952 /nfs/dbraw/zinc/24/29/52/1025242952.db2.gz VUIXTNLYDGTNFH-NSHGMRRFSA-N 1 1 340.511 4.116 20 30 EIEDMO C=CC[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000603837480 1025329879 /nfs/dbraw/zinc/32/98/79/1025329879.db2.gz XMUKIJWFKFDEOI-UHFFFAOYSA-N 1 1 332.856 4.340 20 30 EIEDMO N#CCC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000519104876 1025495686 /nfs/dbraw/zinc/49/56/86/1025495686.db2.gz BQULZFMCYXPHOJ-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068652 1025586473 /nfs/dbraw/zinc/58/64/73/1025586473.db2.gz DJZAYQQNIGGWQN-QKLQHJQFSA-N 1 1 330.903 4.029 20 30 EIEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000569168300 1025603460 /nfs/dbraw/zinc/60/34/60/1025603460.db2.gz PEHOXJRJBCWZTR-QFIPXVFZSA-N 1 1 334.463 4.210 20 30 EIEDMO C[C@](C#N)(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1Cl ZINC001167967869 1025883995 /nfs/dbraw/zinc/88/39/95/1025883995.db2.gz JXEHFTIKVRWCTL-KVMCETHSSA-N 1 1 343.902 4.074 20 30 EIEDMO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)C1 ZINC000344082856 1025976653 /nfs/dbraw/zinc/97/66/53/1025976653.db2.gz SDLCFNCWKOWMGV-MRXNPFEDSA-N 1 1 337.467 4.106 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000512177547 1026238150 /nfs/dbraw/zinc/23/81/50/1026238150.db2.gz FCHDIMQUYGVTQA-LJQANCHMSA-N 1 1 331.843 4.491 20 30 EIEDMO C=CCCc1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000582163863 1026290936 /nfs/dbraw/zinc/29/09/36/1026290936.db2.gz HGQGAMDQFANHMY-OAHLLOKOSA-N 1 1 326.444 4.162 20 30 EIEDMO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590725 1026507415 /nfs/dbraw/zinc/50/74/15/1026507415.db2.gz BTMOUPTVOSIOHV-DKZVUGQWSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590725 1026507454 /nfs/dbraw/zinc/50/74/54/1026507454.db2.gz BTMOUPTVOSIOHV-DKZVUGQWSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569984 /nfs/dbraw/zinc/56/99/84/1026569984.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244663 1026569988 /nfs/dbraw/zinc/56/99/88/1026569988.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244663 1026569995 /nfs/dbraw/zinc/56/99/95/1026569995.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 1 1 345.490 4.217 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)o1 ZINC000467037615 1026570350 /nfs/dbraw/zinc/57/03/50/1026570350.db2.gz XDFWQROCDCCBCN-SFHVURJKSA-N 1 1 329.827 4.268 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)o1 ZINC000467037615 1026570361 /nfs/dbraw/zinc/57/03/61/1026570361.db2.gz XDFWQROCDCCBCN-SFHVURJKSA-N 1 1 329.827 4.268 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)nn1 ZINC000657428962 1026631193 /nfs/dbraw/zinc/63/11/93/1026631193.db2.gz OYELVNODTPOGGW-HNAYVOBHSA-N 1 1 336.483 4.244 20 30 EIEDMO Cn1cc(-c2ccc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)s2)cn1 ZINC000338921522 1026642993 /nfs/dbraw/zinc/64/29/93/1026642993.db2.gz UFSGMWWGQSSGOT-UHFFFAOYSA-N 1 1 348.475 4.185 20 30 EIEDMO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279570 1026645956 /nfs/dbraw/zinc/64/59/56/1026645956.db2.gz FXRVEYYQYTURET-INIZCTEOSA-N 1 1 339.458 4.388 20 30 EIEDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279570 1026645963 /nfs/dbraw/zinc/64/59/63/1026645963.db2.gz FXRVEYYQYTURET-INIZCTEOSA-N 1 1 339.458 4.388 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000507165530 1026671555 /nfs/dbraw/zinc/67/15/55/1026671555.db2.gz QQXPQMZUTCNGFF-UHFFFAOYSA-N 1 1 331.419 4.278 20 30 EIEDMO C=CC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(C)C ZINC000729473562 1026810203 /nfs/dbraw/zinc/81/02/03/1026810203.db2.gz KLPNJUHLLUVFGU-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(C)C ZINC000729473562 1026810204 /nfs/dbraw/zinc/81/02/04/1026810204.db2.gz KLPNJUHLLUVFGU-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721407 1026835859 /nfs/dbraw/zinc/83/58/59/1026835859.db2.gz JEKYOBAKBREKOY-QGZVFWFLSA-N 1 1 336.439 4.175 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727028 1026841767 /nfs/dbraw/zinc/84/17/67/1026841767.db2.gz GRDSOFZXFLKMJT-SWLSCSKDSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727028 1026841772 /nfs/dbraw/zinc/84/17/72/1026841772.db2.gz GRDSOFZXFLKMJT-SWLSCSKDSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727028 1026841776 /nfs/dbraw/zinc/84/17/76/1026841776.db2.gz GRDSOFZXFLKMJT-SWLSCSKDSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727026 1026841910 /nfs/dbraw/zinc/84/19/10/1026841910.db2.gz GRDSOFZXFLKMJT-IUODEOHRSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727026 1026841915 /nfs/dbraw/zinc/84/19/15/1026841915.db2.gz GRDSOFZXFLKMJT-IUODEOHRSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727026 1026841916 /nfs/dbraw/zinc/84/19/16/1026841916.db2.gz GRDSOFZXFLKMJT-IUODEOHRSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1Br ZINC000151375536 1026869245 /nfs/dbraw/zinc/86/92/45/1026869245.db2.gz WPNRYTKAJRACGJ-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519912441 1027044639 /nfs/dbraw/zinc/04/46/39/1027044639.db2.gz UTQKPJXYKWCVFL-JOCHJYFZSA-N 1 1 348.490 4.113 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441150716 1027310681 /nfs/dbraw/zinc/31/06/81/1027310681.db2.gz GJKQEGYSBMSZGL-LJQANCHMSA-N 1 1 339.866 4.230 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225205 1027343519 /nfs/dbraw/zinc/34/35/19/1027343519.db2.gz VEYWIWSLMITTPR-MRXNPFEDSA-N 1 1 338.348 4.108 20 30 EIEDMO Clc1ccccc1C#CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000441260017 1027391577 /nfs/dbraw/zinc/39/15/77/1027391577.db2.gz MFECXFKFWSGHII-UHFFFAOYSA-N 1 1 349.865 4.447 20 30 EIEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167622803 1027415455 /nfs/dbraw/zinc/41/54/55/1027415455.db2.gz ZFMDRBQPLLUUNI-ZDUSSCGKSA-N 1 1 328.362 4.279 20 30 EIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167622803 1027415471 /nfs/dbraw/zinc/41/54/71/1027415471.db2.gz ZFMDRBQPLLUUNI-ZDUSSCGKSA-N 1 1 328.362 4.279 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000441342863 1027479575 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1 1 349.478 4.403 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc(C)c1OCc1ccccn1 ZINC000612405690 1031487838 /nfs/dbraw/zinc/48/78/38/1031487838.db2.gz CFOAFRZFCDDDPS-JOCHJYFZSA-N 1 1 349.478 4.403 20 30 EIEDMO Cn1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000179905857 1031597280 /nfs/dbraw/zinc/59/72/80/1031597280.db2.gz LVIWXBLRRJLPDG-NRFANRHFSA-N 1 1 342.446 4.078 20 30 EIEDMO CC[N@@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179932650 1031642714 /nfs/dbraw/zinc/64/27/14/1031642714.db2.gz SROJNVAFNUAHRU-UHFFFAOYSA-N 1 1 344.462 4.023 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)C#N)cc1 ZINC000612585101 1031680852 /nfs/dbraw/zinc/68/08/52/1031680852.db2.gz NYILSQFJUIGPPT-UHFFFAOYSA-N 1 1 344.462 4.487 20 30 EIEDMO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1Cl ZINC000365443782 1031681514 /nfs/dbraw/zinc/68/15/14/1031681514.db2.gz PBFVOCXNFPFRBC-BBRMVZONSA-N 1 1 348.805 4.032 20 30 EIEDMO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1Cl ZINC000365443782 1031681526 /nfs/dbraw/zinc/68/15/26/1031681526.db2.gz PBFVOCXNFPFRBC-BBRMVZONSA-N 1 1 348.805 4.032 20 30 EIEDMO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc(C)ccc1C ZINC000528803416 1031861484 /nfs/dbraw/zinc/86/14/84/1031861484.db2.gz XOXHIPLNYABRMD-IBGZPJMESA-N 1 1 346.434 4.466 20 30 EIEDMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000429364101 1031942283 /nfs/dbraw/zinc/94/22/83/1031942283.db2.gz LKWMWQKJVCCBDM-LRDDRELGSA-N 1 1 346.272 4.106 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000135165839 1032022742 /nfs/dbraw/zinc/02/27/42/1032022742.db2.gz PYARABRYPLZQPG-MRXNPFEDSA-N 1 1 325.481 4.324 20 30 EIEDMO CC[N@@H+](CCC1CC[NH+](Cc2cc(C#N)cs2)CC1)CC(C)C ZINC000573527044 1033388347 /nfs/dbraw/zinc/38/83/47/1033388347.db2.gz VGEDEXIMRFCTNF-UHFFFAOYSA-N 1 1 333.545 4.200 20 30 EIEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182778 1033624117 /nfs/dbraw/zinc/62/41/17/1033624117.db2.gz XPWOAPQTUSLEBN-NRFANRHFSA-N 1 1 336.479 4.261 20 30 EIEDMO C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184869 1033636954 /nfs/dbraw/zinc/63/69/54/1033636954.db2.gz BHMSIJBRFUYQBF-MJGOQNOKSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184869 1033636964 /nfs/dbraw/zinc/63/69/64/1033636964.db2.gz BHMSIJBRFUYQBF-MJGOQNOKSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184858 1033637569 /nfs/dbraw/zinc/63/75/69/1033637569.db2.gz BHMSIJBRFUYQBF-HKUYNNGSSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184858 1033637581 /nfs/dbraw/zinc/63/75/81/1033637581.db2.gz BHMSIJBRFUYQBF-HKUYNNGSSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662340 1033652419 /nfs/dbraw/zinc/65/24/19/1033652419.db2.gz WNIJWOXOQSXREW-FRQCXROJSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662340 1033652420 /nfs/dbraw/zinc/65/24/20/1033652420.db2.gz WNIJWOXOQSXREW-FRQCXROJSA-N 1 1 337.442 4.183 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000433012369 1033652755 /nfs/dbraw/zinc/65/27/55/1033652755.db2.gz KDJLGGCYHPDZTL-SFHVURJKSA-N 1 1 332.407 4.261 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000433031552 1033699795 /nfs/dbraw/zinc/69/97/95/1033699795.db2.gz OFRHTLFZUFJALY-SFHVURJKSA-N 1 1 332.407 4.261 20 30 EIEDMO Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000411274199 1033787232 /nfs/dbraw/zinc/78/72/32/1033787232.db2.gz IWXSNBQCTGABKK-NWDGAFQWSA-N 1 1 341.270 4.498 20 30 EIEDMO Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000411274199 1033787255 /nfs/dbraw/zinc/78/72/55/1033787255.db2.gz IWXSNBQCTGABKK-NWDGAFQWSA-N 1 1 341.270 4.498 20 30 EIEDMO CCOc1cc(F)c(F)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211797300 1033947690 /nfs/dbraw/zinc/94/76/90/1033947690.db2.gz ZTUIEHAEKYIZSZ-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419319702 1034251904 /nfs/dbraw/zinc/25/19/04/1034251904.db2.gz CYPRVXTWKBXKAB-SJORKVTESA-N 1 1 338.455 4.255 20 30 EIEDMO CC[N@H+](c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)C(C)C ZINC000178800407 1034300075 /nfs/dbraw/zinc/30/00/75/1034300075.db2.gz LNVAKWKVEFJTFZ-UHFFFAOYSA-N 1 1 333.439 4.053 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157291 1034402048 /nfs/dbraw/zinc/40/20/48/1034402048.db2.gz YDSGOLJZLGIVHO-GFCCVEGCSA-N 1 1 332.350 4.058 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157291 1034402057 /nfs/dbraw/zinc/40/20/57/1034402057.db2.gz YDSGOLJZLGIVHO-GFCCVEGCSA-N 1 1 332.350 4.058 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906536 1034795099 /nfs/dbraw/zinc/79/50/99/1034795099.db2.gz TYSPMIRRAOIQFU-UHFFFAOYSA-N 1 1 347.871 4.124 20 30 EIEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CCC(C)(C)C#N)cc1 ZINC000280297508 1035226125 /nfs/dbraw/zinc/22/61/25/1035226125.db2.gz FNRYUBVUQFIEIK-UHFFFAOYSA-N 1 1 337.467 4.075 20 30 EIEDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)sc1C ZINC000280552237 1035295807 /nfs/dbraw/zinc/29/58/07/1035295807.db2.gz UJPYSRMGVURFQN-AWEZNQCLSA-N 1 1 349.500 4.095 20 30 EIEDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)sc1C ZINC000280552237 1035295817 /nfs/dbraw/zinc/29/58/17/1035295817.db2.gz UJPYSRMGVURFQN-AWEZNQCLSA-N 1 1 349.500 4.095 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2ccncc2)CCCCC1 ZINC000594993241 1035518913 /nfs/dbraw/zinc/51/89/13/1035518913.db2.gz BWNCEKDNOWAFFQ-UHFFFAOYSA-N 1 1 335.451 4.224 20 30 EIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594993210 1035519588 /nfs/dbraw/zinc/51/95/88/1035519588.db2.gz BCDUNGFKBDDPHO-UHFFFAOYSA-N 1 1 336.483 4.112 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2-n2ccc(C3CC3)n2)no1 ZINC000904733475 1035566549 /nfs/dbraw/zinc/56/65/49/1035566549.db2.gz IIVVISQEZCCBMA-INIZCTEOSA-N 1 1 349.438 4.156 20 30 EIEDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000595295662 1035620841 /nfs/dbraw/zinc/62/08/41/1035620841.db2.gz OECUTHPTYKRYRP-ZDUSSCGKSA-N 1 1 327.359 4.189 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000595295662 1035620853 /nfs/dbraw/zinc/62/08/53/1035620853.db2.gz OECUTHPTYKRYRP-ZDUSSCGKSA-N 1 1 327.359 4.189 20 30 EIEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514950 1035691156 /nfs/dbraw/zinc/69/11/56/1035691156.db2.gz LJFJRWUSKWSPSP-CYBMUJFWSA-N 1 1 338.842 4.475 20 30 EIEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514950 1035691172 /nfs/dbraw/zinc/69/11/72/1035691172.db2.gz LJFJRWUSKWSPSP-CYBMUJFWSA-N 1 1 338.842 4.475 20 30 EIEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514970 1035693384 /nfs/dbraw/zinc/69/33/84/1035693384.db2.gz LJFJRWUSKWSPSP-ZDUSSCGKSA-N 1 1 338.842 4.475 20 30 EIEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514970 1035693387 /nfs/dbraw/zinc/69/33/87/1035693387.db2.gz LJFJRWUSKWSPSP-ZDUSSCGKSA-N 1 1 338.842 4.475 20 30 EIEDMO CCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000575114576 1035706908 /nfs/dbraw/zinc/70/69/08/1035706908.db2.gz YPCASVSJKHWCSH-UHFFFAOYSA-N 1 1 336.435 4.058 20 30 EIEDMO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000485124238 1035716463 /nfs/dbraw/zinc/71/64/63/1035716463.db2.gz ASMHJRGGCDLTPZ-SFHVURJKSA-N 1 1 326.484 4.292 20 30 EIEDMO N#CC1(CCC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCOCC1 ZINC000595678310 1035766787 /nfs/dbraw/zinc/76/67/87/1035766787.db2.gz XWZMAYZSCUROFR-GOSISDBHSA-N 1 1 328.456 4.297 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1ccnc(C#N)c1 ZINC000593105675 1035771930 /nfs/dbraw/zinc/77/19/30/1035771930.db2.gz UEXGBLVUMAFWLX-KRWDZBQOSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000593105675 1035771947 /nfs/dbraw/zinc/77/19/47/1035771947.db2.gz UEXGBLVUMAFWLX-KRWDZBQOSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593112412 1035774590 /nfs/dbraw/zinc/77/45/90/1035774590.db2.gz HQQCQNZMUILWTJ-UHFFFAOYSA-N 1 1 346.352 4.365 20 30 EIEDMO C[N@H+](Cc1ccc(CC#N)cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595751950 1035786249 /nfs/dbraw/zinc/78/62/49/1035786249.db2.gz ZOPVEZMLKKNPQG-QGZVFWFLSA-N 1 1 349.261 4.225 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595751950 1035786268 /nfs/dbraw/zinc/78/62/68/1035786268.db2.gz ZOPVEZMLKKNPQG-QGZVFWFLSA-N 1 1 349.261 4.225 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790211 1035791404 /nfs/dbraw/zinc/79/14/04/1035791404.db2.gz VBOZXQILEPVZBU-UYAOXDASSA-N 1 1 326.484 4.269 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CC3CCC3)o2)c1 ZINC000595870690 1035804500 /nfs/dbraw/zinc/80/45/00/1035804500.db2.gz JJZDIKAFJRZAEG-GOSISDBHSA-N 1 1 336.439 4.153 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595869057 1035804871 /nfs/dbraw/zinc/80/48/71/1035804871.db2.gz UBTXJBUKPGNDHY-AWEZNQCLSA-N 1 1 347.384 4.425 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)cc1 ZINC000151442503 1035807692 /nfs/dbraw/zinc/80/76/92/1035807692.db2.gz LOUHYXIBQJNPJU-CMDGGOBGSA-N 1 1 342.402 4.033 20 30 EIEDMO C[C@@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000502106564 1035850929 /nfs/dbraw/zinc/85/09/29/1035850929.db2.gz COVAZLPYMSBNHU-AWEZNQCLSA-N 1 1 325.843 4.070 20 30 EIEDMO Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)[nH+]c1N ZINC001168409769 1035898670 /nfs/dbraw/zinc/89/86/70/1035898670.db2.gz ASHGZPGZCRUMFX-UHFFFAOYSA-N 1 1 327.387 4.149 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000421016374 1035975970 /nfs/dbraw/zinc/97/59/70/1035975970.db2.gz UYDYKACZKKFXJJ-AWEZNQCLSA-N 1 1 327.453 4.030 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000421016374 1035976010 /nfs/dbraw/zinc/97/60/10/1035976010.db2.gz UYDYKACZKKFXJJ-AWEZNQCLSA-N 1 1 327.453 4.030 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000571490385 1036055020 /nfs/dbraw/zinc/05/50/20/1036055020.db2.gz ZDRLXOBGAIQKQP-HXUWFJFHSA-N 1 1 333.435 4.114 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421115200 1036078820 /nfs/dbraw/zinc/07/88/20/1036078820.db2.gz WPCJGIWNBIFZDY-QGZVFWFLSA-N 1 1 329.488 4.096 20 30 EIEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175396 1036142171 /nfs/dbraw/zinc/14/21/71/1036142171.db2.gz YZQCXZGHUVLWDB-KRWDZBQOSA-N 1 1 336.483 4.295 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000502465268 1036244482 /nfs/dbraw/zinc/24/44/82/1036244482.db2.gz PYZGTYJTVURDOR-INIZCTEOSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000502465268 1036244498 /nfs/dbraw/zinc/24/44/98/1036244498.db2.gz PYZGTYJTVURDOR-INIZCTEOSA-N 1 1 326.415 4.149 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000502497123 1036284138 /nfs/dbraw/zinc/28/41/38/1036284138.db2.gz WRIQCXPCWDWYBE-UHFFFAOYSA-N 1 1 340.373 4.449 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C[C@@H](C)C#N ZINC000075678147 1036409348 /nfs/dbraw/zinc/40/93/48/1036409348.db2.gz PNSDXXQENWDDBU-NSHDSACASA-N 1 1 332.391 4.289 20 30 EIEDMO CC[N@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C[C@@H](C)C#N ZINC000075678147 1036409361 /nfs/dbraw/zinc/40/93/61/1036409361.db2.gz PNSDXXQENWDDBU-NSHDSACASA-N 1 1 332.391 4.289 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000137190992 1036421215 /nfs/dbraw/zinc/42/12/15/1036421215.db2.gz GLCNGBFOPVYWKL-UHFFFAOYSA-N 1 1 326.465 4.035 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000137190992 1036421224 /nfs/dbraw/zinc/42/12/24/1036421224.db2.gz GLCNGBFOPVYWKL-UHFFFAOYSA-N 1 1 326.465 4.035 20 30 EIEDMO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)CC1(CC#N)CC1 ZINC000602793272 1036626333 /nfs/dbraw/zinc/62/63/33/1036626333.db2.gz 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C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[C@H]1C#N ZINC000602977410 1036685916 /nfs/dbraw/zinc/68/59/16/1036685916.db2.gz ATJZOXKIGCRFMA-XJKSGUPXSA-N 1 1 344.256 4.121 20 30 EIEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586054 1036705104 /nfs/dbraw/zinc/70/51/04/1036705104.db2.gz CTMMPPUDLYWDME-CJNGLKHVSA-N 1 1 342.405 4.389 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000598585094 1036706095 /nfs/dbraw/zinc/70/60/95/1036706095.db2.gz RKSREIPVFYMQOD-GUYCJALGSA-N 1 1 346.521 4.058 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000598592153 1036707616 /nfs/dbraw/zinc/70/76/16/1036707616.db2.gz GLIHSQYFVJACIA-GOSISDBHSA-N 1 1 344.499 4.153 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598587738 1036709130 /nfs/dbraw/zinc/70/91/30/1036709130.db2.gz UTWDWXCHKQPMGU-WCQYABFASA-N 1 1 329.271 4.287 20 30 EIEDMO C[C@]1(C2CCCCC2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028190 1036709709 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Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](C)CCC#N)C3)cs1 ZINC000590595588 1037114990 /nfs/dbraw/zinc/11/49/90/1037114990.db2.gz QQJJJDJIFRMUKB-LBPRGKRZSA-N 1 1 331.510 4.478 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395531 /nfs/dbraw/zinc/39/55/31/1037395531.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 1 1 347.506 4.352 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000129731886 1037451536 /nfs/dbraw/zinc/45/15/36/1037451536.db2.gz ROWVYIWGXBQMCV-HNNXBMFYSA-N 1 1 339.439 4.016 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000129731886 1037451550 /nfs/dbraw/zinc/45/15/50/1037451550.db2.gz ROWVYIWGXBQMCV-HNNXBMFYSA-N 1 1 339.439 4.016 20 30 EIEDMO C=CCC(C)(C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000488325199 1037529520 /nfs/dbraw/zinc/52/95/20/1037529520.db2.gz PMRWCSOCHKWUFV-HKUYNNGSSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704516 1037716569 /nfs/dbraw/zinc/71/65/69/1037716569.db2.gz SHLOECJIGLNMJR-BWAGFHJFSA-N 1 1 348.490 4.298 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592165696 1037748482 /nfs/dbraw/zinc/74/84/82/1037748482.db2.gz DVWVJANKHQMGNY-PMACEKPBSA-N 1 1 328.500 4.165 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000605738784 1037858144 /nfs/dbraw/zinc/85/81/44/1037858144.db2.gz XBEJPBIVVKTNFP-GFCCVEGCSA-N 1 1 329.271 4.069 20 30 EIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000592788139 1037866271 /nfs/dbraw/zinc/86/62/71/1037866271.db2.gz KVHOKIYONWRIIT-SHPPYHEDSA-N 1 1 344.503 4.011 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000605850036 1037872604 /nfs/dbraw/zinc/87/26/04/1037872604.db2.gz UKXYWCJXUMYYPM-SFHVURJKSA-N 1 1 343.515 4.026 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895714 /nfs/dbraw/zinc/89/57/14/1037895714.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 1 1 325.500 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20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000490176651 1038372395 /nfs/dbraw/zinc/37/23/95/1038372395.db2.gz QJMNKQLTCRPOHB-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814800 1038459872 /nfs/dbraw/zinc/45/98/72/1038459872.db2.gz JZGISHNQOSTAMD-CJNGLKHVSA-N 1 1 333.863 4.051 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](CCC(C)C)c2ccc(Cl)cc2)nn1 ZINC000424292558 1038769974 /nfs/dbraw/zinc/76/99/74/1038769974.db2.gz GYVGPLPEHKVQTF-SFHVURJKSA-N 1 1 332.879 4.385 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](CCC)c2cccc(C(F)(F)F)c2)nn1 ZINC000424293166 1038772234 /nfs/dbraw/zinc/77/22/34/1038772234.db2.gz IFDDSDDKAUEDDY-MRXNPFEDSA-N 1 1 338.377 4.114 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)nn1 ZINC000424300940 1038776746 /nfs/dbraw/zinc/77/67/46/1038776746.db2.gz YTGDVDUOHOGPOJ-QFIPXVFZSA-N 1 1 346.478 4.318 20 30 EIEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128991 1038857480 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C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000608977661 1038987272 /nfs/dbraw/zinc/98/72/72/1038987272.db2.gz XFFOZBDVOBWHAJ-MJGOQNOKSA-N 1 1 347.462 4.155 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000539389806 1039045702 /nfs/dbraw/zinc/04/57/02/1039045702.db2.gz CJHHEWOFNFEAKH-RBUKOAKNSA-N 1 1 343.515 4.037 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000539389804 1039047370 /nfs/dbraw/zinc/04/73/70/1039047370.db2.gz CJHHEWOFNFEAKH-OALUTQOASA-N 1 1 343.515 4.037 20 30 EIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555376857 1039126874 /nfs/dbraw/zinc/12/68/74/1039126874.db2.gz CEMPDNNAKOVLOH-MPGHIAIKSA-N 1 1 332.875 4.295 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000534126461 1039143218 /nfs/dbraw/zinc/14/32/18/1039143218.db2.gz RQWLDMXYHILRRY-UHFFFAOYSA-N 1 1 337.366 4.057 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000534126461 1039143225 /nfs/dbraw/zinc/14/32/25/1039143225.db2.gz RQWLDMXYHILRRY-UHFFFAOYSA-N 1 1 337.366 4.057 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600187296 1039351208 /nfs/dbraw/zinc/35/12/08/1039351208.db2.gz XFQSFJXVNWQMQO-ZDUSSCGKSA-N 1 1 329.425 4.116 20 30 EIEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213339 1039386603 /nfs/dbraw/zinc/38/66/03/1039386603.db2.gz UJLQMLPRBBRHAU-VBKFSLOCSA-N 1 1 347.418 4.122 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000555679296 1039521272 /nfs/dbraw/zinc/52/12/72/1039521272.db2.gz PANGZVXCFFWDRJ-HOCLYGCPSA-N 1 1 333.501 4.239 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1Cl ZINC000534558821 1039557323 /nfs/dbraw/zinc/55/73/23/1039557323.db2.gz ZJXLELSXOWKILF-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1Cl ZINC000534558821 1039557342 /nfs/dbraw/zinc/55/73/42/1039557342.db2.gz ZJXLELSXOWKILF-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc(OC)c1O ZINC000093275097 1039649116 /nfs/dbraw/zinc/64/91/16/1039649116.db2.gz IWOQPASINALMJR-CYBMUJFWSA-N 1 1 346.496 4.396 20 30 EIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000550971776 1039848681 /nfs/dbraw/zinc/84/86/81/1039848681.db2.gz SSQJARHMUZLRLA-FQEVSTJZSA-N 1 1 336.435 4.085 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000535377177 1040233272 /nfs/dbraw/zinc/23/32/72/1040233272.db2.gz YDHRSBZPQSUAEZ-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000535377177 1040233279 /nfs/dbraw/zinc/23/32/79/1040233279.db2.gz YDHRSBZPQSUAEZ-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000346739857 1040272513 /nfs/dbraw/zinc/27/25/13/1040272513.db2.gz LAWYUJXRDKNUDK-UHFFFAOYSA-N 1 1 336.826 4.196 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509930 1040314809 /nfs/dbraw/zinc/31/48/09/1040314809.db2.gz DLPDNACMGYNTSN-IRLDBZIGSA-N 1 1 348.490 4.127 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000425364569 1040333757 /nfs/dbraw/zinc/33/37/57/1040333757.db2.gz GSABYFNSWNNQEO-ZDUSSCGKSA-N 1 1 338.842 4.291 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000425364569 1040333780 /nfs/dbraw/zinc/33/37/80/1040333780.db2.gz GSABYFNSWNNQEO-ZDUSSCGKSA-N 1 1 338.842 4.291 20 30 EIEDMO C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560339 1040410362 /nfs/dbraw/zinc/41/03/62/1040410362.db2.gz RMQXTCDVSJCXCW-WIYYLYMNSA-N 1 1 345.490 4.048 20 30 EIEDMO C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560339 1040410370 /nfs/dbraw/zinc/41/03/70/1040410370.db2.gz RMQXTCDVSJCXCW-WIYYLYMNSA-N 1 1 345.490 4.048 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)c1cccc(C#N)c1 ZINC000462340796 1040494288 /nfs/dbraw/zinc/49/42/88/1040494288.db2.gz MOSRKYQSXNEMEA-CYBMUJFWSA-N 1 1 341.842 4.015 20 30 EIEDMO CCC(CC)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000482854250 1040518621 /nfs/dbraw/zinc/51/86/21/1040518621.db2.gz IOVSFPNDJWIUHB-UHFFFAOYSA-N 1 1 326.444 4.255 20 30 EIEDMO C[C@H](CNc1c(Cl)cccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000462373825 1040541787 /nfs/dbraw/zinc/54/17/87/1040541787.db2.gz YFGSUAVGOQYZPF-GFCCVEGCSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000462373825 1040541814 /nfs/dbraw/zinc/54/18/14/1040541814.db2.gz YFGSUAVGOQYZPF-GFCCVEGCSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@@H](CNc1c(Cl)cccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000462373827 1040542039 /nfs/dbraw/zinc/54/20/39/1040542039.db2.gz YFGSUAVGOQYZPF-LBPRGKRZSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000462373827 1040542057 /nfs/dbraw/zinc/54/20/57/1040542057.db2.gz YFGSUAVGOQYZPF-LBPRGKRZSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792512 1040656322 /nfs/dbraw/zinc/65/63/22/1040656322.db2.gz HHSSMMLZKXMDNG-IERDGZPVSA-N 1 1 343.430 4.321 20 30 EIEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000552003087 1040759267 /nfs/dbraw/zinc/75/92/67/1040759267.db2.gz NPOHVNWKMYBBJW-QGZVFWFLSA-N 1 1 346.540 4.105 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186749 1040764056 /nfs/dbraw/zinc/76/40/56/1040764056.db2.gz RJWJRXXKPOVRSK-ZDUSSCGKSA-N 1 1 335.373 4.499 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000539837790 1040831628 /nfs/dbraw/zinc/83/16/28/1040831628.db2.gz BSSUWHXDFLYCRG-UHFFFAOYSA-N 1 1 334.261 4.237 20 30 EIEDMO Cc1[nH+]ccn1CCCOc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000539855728 1040842349 /nfs/dbraw/zinc/84/23/49/1040842349.db2.gz YPJMGZPCAJYMBC-UHFFFAOYSA-N 1 1 333.391 4.325 20 30 EIEDMO C[N@H+](CC#Cc1ccccc1)CCCc1cc(-c2ccccc2)no1 ZINC000483569657 1040899354 /nfs/dbraw/zinc/89/93/54/1040899354.db2.gz UYJXLLAJDVPULL-UHFFFAOYSA-N 1 1 330.431 4.258 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000539924020 1040907796 /nfs/dbraw/zinc/90/77/96/1040907796.db2.gz PXNJGYPKERLWFB-UHFFFAOYSA-N 1 1 340.430 4.238 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000539924020 1040907816 /nfs/dbraw/zinc/90/78/16/1040907816.db2.gz PXNJGYPKERLWFB-UHFFFAOYSA-N 1 1 340.430 4.238 20 30 EIEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(C#N)s1 ZINC000462824153 1041003218 /nfs/dbraw/zinc/00/32/18/1041003218.db2.gz BQEBMIBYAGBFPY-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741914 1041125249 /nfs/dbraw/zinc/12/52/49/1041125249.db2.gz YIFQAOQVJDXBAZ-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741914 1041125266 /nfs/dbraw/zinc/12/52/66/1041125266.db2.gz YIFQAOQVJDXBAZ-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000425541616 1041217394 /nfs/dbraw/zinc/21/73/94/1041217394.db2.gz WZOOJUKFUZLNIF-ZDUSSCGKSA-N 1 1 341.361 4.224 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553308 1041249774 /nfs/dbraw/zinc/24/97/74/1041249774.db2.gz MCXUMIZCIJXXAC-FQEVSTJZSA-N 1 1 338.495 4.269 20 30 EIEDMO COc1nc2ccccc2cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000538426946 1041331609 /nfs/dbraw/zinc/33/16/09/1041331609.db2.gz VXYPLDFNYVCMNW-IBGZPJMESA-N 1 1 331.419 4.378 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206669 1041420232 /nfs/dbraw/zinc/42/02/32/1041420232.db2.gz YVEOEJVGIYGSMS-FPWFTKFVSA-N 1 1 346.902 4.363 20 30 EIEDMO Fc1cccc(F)c1CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645810849 1041436345 /nfs/dbraw/zinc/43/63/45/1041436345.db2.gz BRCSFGOOBIENKA-AOOOYVTPSA-N 1 1 347.249 4.180 20 30 EIEDMO Fc1cccc(F)c1CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645810849 1041436349 /nfs/dbraw/zinc/43/63/49/1041436349.db2.gz BRCSFGOOBIENKA-AOOOYVTPSA-N 1 1 347.249 4.180 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)cc(OC)c1O ZINC000538725319 1041516252 /nfs/dbraw/zinc/51/62/52/1041516252.db2.gz NVIBRWDHHFVALT-IAGOWNOFSA-N 1 1 335.513 4.235 20 30 EIEDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000595426611 1041672198 /nfs/dbraw/zinc/67/21/98/1041672198.db2.gz QGKZBUGMDMJJLT-LSDHHAIUSA-N 1 1 345.450 4.318 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000516900107 1041806793 /nfs/dbraw/zinc/80/67/93/1041806793.db2.gz XWCXCKAFQJTVES-DYESRHJHSA-N 1 1 347.462 4.012 20 30 EIEDMO CCN(Cc1cccc(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000517124587 1041876454 /nfs/dbraw/zinc/87/64/54/1041876454.db2.gz MDINRBMOCMKHIF-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517124587 1041876457 /nfs/dbraw/zinc/87/64/57/1041876457.db2.gz MDINRBMOCMKHIF-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517124587 1041876465 /nfs/dbraw/zinc/87/64/65/1041876465.db2.gz MDINRBMOCMKHIF-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO C[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000506134070 1041917159 /nfs/dbraw/zinc/91/71/59/1041917159.db2.gz CUKAGOHUXGPLJB-UHFFFAOYSA-N 1 1 335.234 4.376 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)cc1C ZINC000541763636 1042096667 /nfs/dbraw/zinc/09/66/67/1042096667.db2.gz QSKPCPCZTSBNCI-INIZCTEOSA-N 1 1 344.462 4.405 20 30 EIEDMO C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000383070379 1042215646 /nfs/dbraw/zinc/21/56/46/1042215646.db2.gz LLEXZDVHJRBUEQ-MRXNPFEDSA-N 1 1 339.870 4.312 20 30 EIEDMO CC[NH+](CC)CCCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000542020074 1042237270 /nfs/dbraw/zinc/23/72/70/1042237270.db2.gz WWENMXZXOBGJSC-UHFFFAOYSA-N 1 1 331.479 4.031 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cnc(-c3ccccc3)nc2)C2CC2)cc1 ZINC000542248793 1042359220 /nfs/dbraw/zinc/35/92/20/1042359220.db2.gz XBWDTUUKVNTAHW-UHFFFAOYSA-N 1 1 340.430 4.180 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C2CC2)cc1 ZINC000542248793 1042359225 /nfs/dbraw/zinc/35/92/25/1042359225.db2.gz XBWDTUUKVNTAHW-UHFFFAOYSA-N 1 1 340.430 4.180 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000438834487 1042375711 /nfs/dbraw/zinc/37/57/11/1042375711.db2.gz TWLSETXQMZFQQV-UHFFFAOYSA-N 1 1 348.368 4.121 20 30 EIEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269811 1042499517 /nfs/dbraw/zinc/49/95/17/1042499517.db2.gz FRKTWWWJHGCZFX-CQSZACIVSA-N 1 1 347.528 4.338 20 30 EIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894212 1042561664 /nfs/dbraw/zinc/56/16/64/1042561664.db2.gz HHQCTMAUSXETQV-LSDHHAIUSA-N 1 1 340.439 4.266 20 30 EIEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000492196609 1042573357 /nfs/dbraw/zinc/57/33/57/1042573357.db2.gz ZBNPIYGPRVSAJC-UHFFFAOYSA-N 1 1 337.345 4.116 20 30 EIEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000506547248 1042587409 /nfs/dbraw/zinc/58/74/09/1042587409.db2.gz PVHFLPBTMVJXCM-UHFFFAOYSA-N 1 1 342.446 4.421 20 30 EIEDMO CC(C)COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000271966277 1042589799 /nfs/dbraw/zinc/58/97/99/1042589799.db2.gz SNGUXMVLGHMFAT-RDTXWAMCSA-N 1 1 330.403 4.355 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000518602999 1042590077 /nfs/dbraw/zinc/59/00/77/1042590077.db2.gz AZMJULPWYWGLTJ-NRFANRHFSA-N 1 1 336.479 4.401 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439444738 1042629530 /nfs/dbraw/zinc/62/95/30/1042629530.db2.gz BZPJQIJSKHWGHS-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccccc1 ZINC000439462467 1042648568 /nfs/dbraw/zinc/64/85/68/1042648568.db2.gz POAALPFOLGODOQ-HNNXBMFYSA-N 1 1 328.843 4.421 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccccc1 ZINC000439462467 1042648582 /nfs/dbraw/zinc/64/85/82/1042648582.db2.gz POAALPFOLGODOQ-HNNXBMFYSA-N 1 1 328.843 4.421 20 30 EIEDMO C=CCc1cc(C[N@@H+](Cc2cccs2)C2CC2)cc(OC)c1O ZINC000506615248 1042688756 /nfs/dbraw/zinc/68/87/56/1042688756.db2.gz JFXWYLDSNWBMNT-UHFFFAOYSA-N 1 1 329.465 4.355 20 30 EIEDMO COc1cccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC000492604410 1042706998 /nfs/dbraw/zinc/70/69/98/1042706998.db2.gz FBZINDTXQMXXKL-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CCOc1ccccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506640394 1042719377 /nfs/dbraw/zinc/71/93/77/1042719377.db2.gz YRSZSSJQJRPTGO-UHFFFAOYSA-N 1 1 345.446 4.417 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1F ZINC000783433904 1042787621 /nfs/dbraw/zinc/78/76/21/1042787621.db2.gz CAIOVVJQKTVVER-UHFFFAOYSA-N 1 1 329.415 4.387 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1F ZINC000783433904 1042787629 /nfs/dbraw/zinc/78/76/29/1042787629.db2.gz CAIOVVJQKTVVER-UHFFFAOYSA-N 1 1 329.415 4.387 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000130185693 1042823066 /nfs/dbraw/zinc/82/30/66/1042823066.db2.gz HTHDOKSRJKGJQQ-UHFFFAOYSA-N 1 1 340.511 4.125 20 30 EIEDMO CC(C)C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000507766876 1042856211 /nfs/dbraw/zinc/85/62/11/1042856211.db2.gz PYZCCIPKSYBDPZ-UHFFFAOYSA-N 1 1 336.414 4.003 20 30 EIEDMO CC(C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000507766876 1042856215 /nfs/dbraw/zinc/85/62/15/1042856215.db2.gz PYZCCIPKSYBDPZ-UHFFFAOYSA-N 1 1 336.414 4.003 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178513291 1042868458 /nfs/dbraw/zinc/86/84/58/1042868458.db2.gz WVKDETKKOURHTD-HXUWFJFHSA-N 1 1 338.426 4.200 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178513291 1042868461 /nfs/dbraw/zinc/86/84/61/1042868461.db2.gz WVKDETKKOURHTD-HXUWFJFHSA-N 1 1 338.426 4.200 20 30 EIEDMO CCCc1ccc([C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000152520042 1042891868 /nfs/dbraw/zinc/89/18/68/1042891868.db2.gz OKNCYMCRYJHHOH-NHCUHLMSSA-N 1 1 349.478 4.024 20 30 EIEDMO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 ZINC000494029403 1043006449 /nfs/dbraw/zinc/00/64/49/1043006449.db2.gz PQDCPZPPQYZIOF-MRXNPFEDSA-N 1 1 336.332 4.332 20 30 EIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2C1 ZINC000076171323 1043067861 /nfs/dbraw/zinc/06/78/61/1043067861.db2.gz DUGGHVDVAXJPIH-UHFFFAOYSA-N 1 1 333.435 4.172 20 30 EIEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000309651606 1043075858 /nfs/dbraw/zinc/07/58/58/1043075858.db2.gz AIETXCYQAPQJLW-INIZCTEOSA-N 1 1 325.843 4.146 20 30 EIEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000008485258 1043101895 /nfs/dbraw/zinc/10/18/95/1043101895.db2.gz HMFBVUPXURGFBO-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO Cc1ccc(C#N)c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000161556524 1043179164 /nfs/dbraw/zinc/17/91/64/1043179164.db2.gz NMDYSSQAFUXADI-UHFFFAOYSA-N 1 1 346.434 4.099 20 30 EIEDMO C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772515 1043193861 /nfs/dbraw/zinc/19/38/61/1043193861.db2.gz VJNAABVSXBYDPI-QIJUGHKUSA-N 1 1 348.490 4.126 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187369254 1043344431 /nfs/dbraw/zinc/34/44/31/1043344431.db2.gz CHUFZQAHAHRBHM-GOSISDBHSA-N 1 1 348.349 4.289 20 30 EIEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)o1 ZINC000059372652 1043354925 /nfs/dbraw/zinc/35/49/25/1043354925.db2.gz WNBGAGFPIWNKHP-QRWLVFNGSA-N 1 1 336.435 4.318 20 30 EIEDMO Cc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)cn2c1 ZINC000521195694 1043646309 /nfs/dbraw/zinc/64/63/09/1043646309.db2.gz OTZGQXJHOYOJNV-UHFFFAOYSA-N 1 1 332.451 4.173 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CCO)c1ccccc1 ZINC000521321825 1043707939 /nfs/dbraw/zinc/70/79/39/1043707939.db2.gz JPSCYTYXLVOENT-SFHVURJKSA-N 1 1 348.368 4.133 20 30 EIEDMO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(CC#N)CC1 ZINC000521322449 1043710531 /nfs/dbraw/zinc/71/05/31/1043710531.db2.gz PZQBXKMXEUQLKS-UHFFFAOYSA-N 1 1 326.271 4.185 20 30 EIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731212017 1043713900 /nfs/dbraw/zinc/71/39/00/1043713900.db2.gz OAROYBZDQBEVGD-OAQYLSRUSA-N 1 1 336.435 4.107 20 30 EIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000347690258 1043758495 /nfs/dbraw/zinc/75/84/95/1043758495.db2.gz XAOUCVLBVFGYAU-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc4occc4c3)CC2)cc1 ZINC000347690258 1043758508 /nfs/dbraw/zinc/75/85/08/1043758508.db2.gz XAOUCVLBVFGYAU-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc4occc4c3)CC2)cc1 ZINC000347690258 1043758527 /nfs/dbraw/zinc/75/85/27/1043758527.db2.gz XAOUCVLBVFGYAU-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191590458 1043829076 /nfs/dbraw/zinc/82/90/76/1043829076.db2.gz PHGRXGXNLRGFNN-NRFANRHFSA-N 1 1 348.490 4.122 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(F)c(F)c1 ZINC000191614738 1043830534 /nfs/dbraw/zinc/83/05/34/1043830534.db2.gz QXYHATSZUIEZFY-LJQANCHMSA-N 1 1 331.410 4.223 20 30 EIEDMO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000731937318 1043851369 /nfs/dbraw/zinc/85/13/69/1043851369.db2.gz JBAPUQQYOPHVIU-XMSCMFJESA-N 1 1 332.447 4.485 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000732183236 1043883645 /nfs/dbraw/zinc/88/36/45/1043883645.db2.gz NFDWJOSINYWQRG-OAHLLOKOSA-N 1 1 339.464 4.354 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1cc(C#N)cs1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000442967268 1043928305 /nfs/dbraw/zinc/92/83/05/1043928305.db2.gz ORKGXAJLOASTOO-ZIAGYGMSSA-N 1 1 348.899 4.087 20 30 EIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778502 1044186524 /nfs/dbraw/zinc/18/65/24/1044186524.db2.gz ZONBEPVSGDDPTP-WMLDXEAASA-N 1 1 343.496 4.173 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000733326951 1044188019 /nfs/dbraw/zinc/18/80/19/1044188019.db2.gz IUCASHZKDLMCOD-JOCHJYFZSA-N 1 1 346.405 4.112 20 30 EIEDMO CC[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108167 1044237343 /nfs/dbraw/zinc/23/73/43/1044237343.db2.gz PJXBQWZJSGYKAT-JTSKRJEESA-N 1 1 333.479 4.045 20 30 EIEDMO CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108167 1044237362 /nfs/dbraw/zinc/23/73/62/1044237362.db2.gz PJXBQWZJSGYKAT-JTSKRJEESA-N 1 1 333.479 4.045 20 30 EIEDMO CCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108167 1044237378 /nfs/dbraw/zinc/23/73/78/1044237378.db2.gz PJXBQWZJSGYKAT-JTSKRJEESA-N 1 1 333.479 4.045 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1Cl ZINC000069221966 1044415769 /nfs/dbraw/zinc/41/57/69/1044415769.db2.gz SZEAGKPRDAQPLM-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO C=CCCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000474086598 1044433984 /nfs/dbraw/zinc/43/39/84/1044433984.db2.gz BIJHQIYINBUNMV-GOSISDBHSA-N 1 1 335.536 4.029 20 30 EIEDMO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000914558314 1044481173 /nfs/dbraw/zinc/48/11/73/1044481173.db2.gz SSLYWGFGDWWMQD-HIQXPHMNSA-N 1 1 344.458 4.411 20 30 EIEDMO C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000734295783 1044524351 /nfs/dbraw/zinc/52/43/51/1044524351.db2.gz KBALWJORQVSUKF-OAHLLOKOSA-N 1 1 338.411 4.047 20 30 EIEDMO C[C@@H]1CC(N=Nc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000734299327 1044526111 /nfs/dbraw/zinc/52/61/11/1044526111.db2.gz UUBZOFGZOHHWBM-CQSZACIVSA-N 1 1 328.847 4.187 20 30 EIEDMO COc1nc2ccccc2cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543413402 1044557089 /nfs/dbraw/zinc/55/70/89/1044557089.db2.gz KKWIJYMHJNUNCK-UHFFFAOYSA-N 1 1 343.430 4.280 20 30 EIEDMO COc1nc2ccccc2cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543413402 1044557102 /nfs/dbraw/zinc/55/71/02/1044557102.db2.gz KKWIJYMHJNUNCK-UHFFFAOYSA-N 1 1 343.430 4.280 20 30 EIEDMO C[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)C1 ZINC000443644945 1044602471 /nfs/dbraw/zinc/60/24/71/1044602471.db2.gz ZOVRZXRHSUDYJB-DLBZAZTESA-N 1 1 337.467 4.106 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491807 1044649729 /nfs/dbraw/zinc/64/97/29/1044649729.db2.gz GGJKIGHCFKLYLT-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491807 1044649733 /nfs/dbraw/zinc/64/97/33/1044649733.db2.gz GGJKIGHCFKLYLT-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491807 1044649741 /nfs/dbraw/zinc/64/97/41/1044649741.db2.gz GGJKIGHCFKLYLT-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(Cl)cc(Cl)c1 ZINC000091955887 1044717960 /nfs/dbraw/zinc/71/79/60/1044717960.db2.gz GUTROUPVUSWOIJ-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(Cl)cc(Cl)c1 ZINC000091955887 1044717976 /nfs/dbraw/zinc/71/79/76/1044717976.db2.gz GUTROUPVUSWOIJ-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000428862534 1044755766 /nfs/dbraw/zinc/75/57/66/1044755766.db2.gz VEAVNUKOYSFBTF-IBGZPJMESA-N 1 1 349.478 4.405 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC(F)F)c(F)c1 ZINC000495185257 1044763488 /nfs/dbraw/zinc/76/34/88/1044763488.db2.gz UHKIMDVOGWYWGS-UHFFFAOYSA-N 1 1 325.330 4.251 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556604 1044790979 /nfs/dbraw/zinc/79/09/79/1044790979.db2.gz SONSAMUCQWNXQV-IFMALSPDSA-N 1 1 337.438 4.277 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1)C(C)C ZINC000155085301 1044865893 /nfs/dbraw/zinc/86/58/93/1044865893.db2.gz CEKSXJSHJAZBBT-UHFFFAOYSA-N 1 1 335.451 4.349 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)cc(OC)c1O ZINC000922656777 1044872434 /nfs/dbraw/zinc/87/24/34/1044872434.db2.gz YGYLBKUXIHBUGV-GFCCVEGCSA-N 1 1 333.378 4.258 20 30 EIEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cc(C#N)ccc1F ZINC000155395670 1044894266 /nfs/dbraw/zinc/89/42/66/1044894266.db2.gz GOHMKURCLPNIHP-UHFFFAOYSA-N 1 1 337.398 4.012 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1cc(C#N)ccc1F ZINC000155395670 1044894280 /nfs/dbraw/zinc/89/42/80/1044894280.db2.gz GOHMKURCLPNIHP-UHFFFAOYSA-N 1 1 337.398 4.012 20 30 EIEDMO Cc1ccc(C[N@@H+](CCOCCC#N)CCc2ccccc2)s1 ZINC000338881904 1044972474 /nfs/dbraw/zinc/97/24/74/1044972474.db2.gz WCKHANBFVMJAJN-UHFFFAOYSA-N 1 1 328.481 4.032 20 30 EIEDMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000131189131 1045171556 /nfs/dbraw/zinc/17/15/56/1045171556.db2.gz GMPGUCSRWRJZBS-UHFFFAOYSA-N 1 1 336.826 4.234 20 30 EIEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000739930777 1045176811 /nfs/dbraw/zinc/17/68/11/1045176811.db2.gz ORGCQXILOSVJLI-MRXNPFEDSA-N 1 1 326.278 4.161 20 30 EIEDMO CC[C@@H](C)Oc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000611254317 1045266799 /nfs/dbraw/zinc/26/67/99/1045266799.db2.gz DSUOWYSNUGOPLD-MRXNPFEDSA-N 1 1 338.451 4.376 20 30 EIEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000611262737 1045269470 /nfs/dbraw/zinc/26/94/70/1045269470.db2.gz OCTFLVGVIHGZJR-QGZVFWFLSA-N 1 1 336.435 4.325 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266724 1045270883 /nfs/dbraw/zinc/27/08/83/1045270883.db2.gz DAVJLLZKPIUHDI-PKOBYXMFSA-N 1 1 326.465 4.219 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000611276540 1045274456 /nfs/dbraw/zinc/27/44/56/1045274456.db2.gz JCSVSKRXDQAIJS-HMXCVIKNSA-N 1 1 332.447 4.324 20 30 EIEDMO CC(=[NH+]Nc1cc(C)ccc1C)c1c(F)cccc1N1CCOCC1 ZINC000741161777 1045277393 /nfs/dbraw/zinc/27/73/93/1045277393.db2.gz HTPXZDQJYAPKAK-UHFFFAOYSA-N 1 1 341.430 4.115 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611371288 1045290972 /nfs/dbraw/zinc/29/09/72/1045290972.db2.gz JEUCGCKNZYSTIX-FPOVZHCZSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(C#N)c1 ZINC000611387009 1045294165 /nfs/dbraw/zinc/29/41/65/1045294165.db2.gz YIGOLRVIDXIQHK-LBPRGKRZSA-N 1 1 326.350 4.154 20 30 EIEDMO C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1cccc(C#N)c1 ZINC000611388068 1045295136 /nfs/dbraw/zinc/29/51/36/1045295136.db2.gz CJWRBJYFTLQQGI-GFCCVEGCSA-N 1 1 339.345 4.342 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@H](CC3CC3)c3ccccc3)o2)c1 ZINC000611395823 1045300234 /nfs/dbraw/zinc/30/02/34/1045300234.db2.gz VZYCYVHHFSMJSW-LJQANCHMSA-N 1 1 344.418 4.239 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)cccc1OC(F)F ZINC000611394548 1045300346 /nfs/dbraw/zinc/30/03/46/1045300346.db2.gz POLFCOHILBKSLV-QGZVFWFLSA-N 1 1 346.352 4.466 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CC3CC3)c3ccccc3)o2)c1 ZINC000611395822 1045301127 /nfs/dbraw/zinc/30/11/27/1045301127.db2.gz VZYCYVHHFSMJSW-IBGZPJMESA-N 1 1 344.418 4.239 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526256 1045321351 /nfs/dbraw/zinc/32/13/51/1045321351.db2.gz FVGFICUZCWZRQR-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526256 1045321357 /nfs/dbraw/zinc/32/13/57/1045321357.db2.gz FVGFICUZCWZRQR-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526256 1045321367 /nfs/dbraw/zinc/32/13/67/1045321367.db2.gz FVGFICUZCWZRQR-QMZRJTEUSA-N 1 1 345.490 4.404 20 30 EIEDMO C[N@H+](Cc1ccccc1Br)Cc1ccccc1CC#N ZINC001235511615 1045462529 /nfs/dbraw/zinc/46/25/29/1045462529.db2.gz JOIDVOSMUIIHOT-UHFFFAOYSA-N 1 1 329.241 4.147 20 30 EIEDMO C[N@@H+](Cc1ccccc1Br)Cc1ccccc1CC#N ZINC001235511615 1045462532 /nfs/dbraw/zinc/46/25/32/1045462532.db2.gz JOIDVOSMUIIHOT-UHFFFAOYSA-N 1 1 329.241 4.147 20 30 EIEDMO CCCCC[C@@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000767761726 1045629937 /nfs/dbraw/zinc/62/99/37/1045629937.db2.gz KULKNVQJXKUAOO-LJQANCHMSA-N 1 1 337.471 4.127 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000768173783 1045736213 /nfs/dbraw/zinc/73/62/13/1045736213.db2.gz FLTLNJHDUAPQHY-UHFFFAOYSA-N 1 1 327.859 4.322 20 30 EIEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206808 1045742744 /nfs/dbraw/zinc/74/27/44/1045742744.db2.gz IHRBWCRWKQARTC-HNNXBMFYSA-N 1 1 325.481 4.217 20 30 EIEDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccn2)cc1 ZINC000791639879 1045790992 /nfs/dbraw/zinc/79/09/92/1045790992.db2.gz OVUQWNRIWGPVFV-JOCHJYFZSA-N 1 1 343.430 4.172 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000763242896 1045791273 /nfs/dbraw/zinc/79/12/73/1045791273.db2.gz XVMOEGYETKAXIJ-COPCDDAFSA-N 1 1 334.463 4.107 20 30 EIEDMO Clc1cccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768361422 1045799949 /nfs/dbraw/zinc/79/99/49/1045799949.db2.gz QKBQNBGFMAEMOI-CALCHBBNSA-N 1 1 340.858 4.330 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)c(OCC)c(OC)c1)C(C)C ZINC000768548099 1045822242 /nfs/dbraw/zinc/82/22/42/1045822242.db2.gz WROFXAYUWDIOSG-UHFFFAOYSA-N 1 1 342.277 4.253 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000246592306 1045825337 /nfs/dbraw/zinc/82/53/37/1045825337.db2.gz FWQUCBYOAFRTJQ-XHSDSOJGSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000246592306 1045825340 /nfs/dbraw/zinc/82/53/40/1045825340.db2.gz FWQUCBYOAFRTJQ-XHSDSOJGSA-N 1 1 345.512 4.140 20 30 EIEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccccc1 ZINC000768597270 1045825494 /nfs/dbraw/zinc/82/54/94/1045825494.db2.gz QVIZQVDDOLOCRO-MSOLQXFVSA-N 1 1 338.451 4.187 20 30 EIEDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000387357755 1045852912 /nfs/dbraw/zinc/85/29/12/1045852912.db2.gz JUDZKUUXKATHIK-QGZVFWFLSA-N 1 1 335.451 4.188 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000768912813 1045858327 /nfs/dbraw/zinc/85/83/27/1045858327.db2.gz MVUSRYNMZAGOFT-OXQOHEQNSA-N 1 1 338.426 4.324 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000768912810 1045858574 /nfs/dbraw/zinc/85/85/74/1045858574.db2.gz MVUSRYNMZAGOFT-OXJNMPFZSA-N 1 1 338.426 4.324 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000768991348 1045868490 /nfs/dbraw/zinc/86/84/90/1045868490.db2.gz KNOCQORWPVHKQF-JXFKEZNVSA-N 1 1 338.426 4.324 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CC)CCc2ccccn2)cc1Cl ZINC000769033694 1045871498 /nfs/dbraw/zinc/87/14/98/1045871498.db2.gz MAGAMPZPYWDRES-UHFFFAOYSA-N 1 1 330.859 4.364 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248889912 1045887962 /nfs/dbraw/zinc/88/79/62/1045887962.db2.gz SNYIIODXZRGMMJ-HGHGUNKESA-N 1 1 344.462 4.335 20 30 EIEDMO CC(C)C[N@H+](Cc1cccc(C#N)c1F)C[C@H](O)c1ccc(F)cc1 ZINC000769165035 1045889484 /nfs/dbraw/zinc/88/94/84/1045889484.db2.gz XLJKYNSWNRGJEF-IBGZPJMESA-N 1 1 344.405 4.028 20 30 EIEDMO CC1(C)CC([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC(C)(C)N1O ZINC001170005202 1045924677 /nfs/dbraw/zinc/92/46/77/1045924677.db2.gz PZSWCGNJHCYFQG-UHFFFAOYSA-N 1 1 349.906 4.466 20 30 EIEDMO CC1(C)CC([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC(C)(C)N1O ZINC001170005202 1045924666 /nfs/dbraw/zinc/92/46/66/1045924666.db2.gz PZSWCGNJHCYFQG-UHFFFAOYSA-N 1 1 349.906 4.466 20 30 EIEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497481 1045998119 /nfs/dbraw/zinc/99/81/19/1045998119.db2.gz FMMRQSCNAFZCGA-GCJKJVERSA-N 1 1 333.479 4.414 20 30 EIEDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000769548686 1046016089 /nfs/dbraw/zinc/01/60/89/1046016089.db2.gz JMQYVMMPAONVCD-AZUAARDMSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000769548686 1046016106 /nfs/dbraw/zinc/01/61/06/1046016106.db2.gz JMQYVMMPAONVCD-AZUAARDMSA-N 1 1 337.442 4.163 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000769549769 1046017936 /nfs/dbraw/zinc/01/79/36/1046017936.db2.gz VQYSRVIWLVWSIN-XZOQPEGZSA-N 1 1 344.458 4.360 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000769549769 1046017953 /nfs/dbraw/zinc/01/79/53/1046017953.db2.gz VQYSRVIWLVWSIN-XZOQPEGZSA-N 1 1 344.458 4.360 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001170389643 1046024907 /nfs/dbraw/zinc/02/49/07/1046024907.db2.gz XFOIYGGQVLJSHX-HOHBBMLPSA-N 1 1 331.463 4.275 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001170402802 1046038223 /nfs/dbraw/zinc/03/82/23/1046038223.db2.gz AZXVUZPHKUWJAU-OBXNSHGQSA-N 1 1 332.451 4.018 20 30 EIEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000161859013 1046041046 /nfs/dbraw/zinc/04/10/46/1046041046.db2.gz ZSABXMCILBHWML-INIZCTEOSA-N 1 1 337.423 4.041 20 30 EIEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000161859013 1046041063 /nfs/dbraw/zinc/04/10/63/1046041063.db2.gz ZSABXMCILBHWML-INIZCTEOSA-N 1 1 337.423 4.041 20 30 EIEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953413 1046108550 /nfs/dbraw/zinc/10/85/50/1046108550.db2.gz LYLBJUQWDSIHQR-MSOLQXFVSA-N 1 1 328.456 4.079 20 30 EIEDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763405442 1046134089 /nfs/dbraw/zinc/13/40/89/1046134089.db2.gz BNBWRUOIENGBDY-SFHVURJKSA-N 1 1 348.368 4.133 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409936 1046137227 /nfs/dbraw/zinc/13/72/27/1046137227.db2.gz IDXVCESLBPUQIA-BDTNDASRSA-N 1 1 334.463 4.168 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)c1 ZINC000770388416 1046200384 /nfs/dbraw/zinc/20/03/84/1046200384.db2.gz AFAMPFNCZPGVHP-IBGZPJMESA-N 1 1 334.444 4.346 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)c1 ZINC000770388416 1046200366 /nfs/dbraw/zinc/20/03/66/1046200366.db2.gz AFAMPFNCZPGVHP-IBGZPJMESA-N 1 1 334.444 4.346 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=C)C)cc1OC ZINC000497095099 1046340271 /nfs/dbraw/zinc/34/02/71/1046340271.db2.gz FXNSQVABAHBVCE-UHFFFAOYSA-N 1 1 340.261 4.030 20 30 EIEDMO COc1ccc(CC[N@@H+](Cc2ccc(C#N)o2)CC(C)(C)C)cc1 ZINC000536669417 1046618520 /nfs/dbraw/zinc/61/85/20/1046618520.db2.gz CLQIJJSPGGUYQY-UHFFFAOYSA-N 1 1 326.440 4.251 20 30 EIEDMO C=CC[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C(C)C ZINC000917069510 1046645138 /nfs/dbraw/zinc/64/51/38/1046645138.db2.gz QLCNLTIDZJWJOC-OAQYLSRUSA-N 1 1 339.479 4.050 20 30 EIEDMO N#CCSCCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000080625762 1046734798 /nfs/dbraw/zinc/73/47/98/1046734798.db2.gz UYGREYLMZCBXDM-INIZCTEOSA-N 1 1 334.535 4.404 20 30 EIEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000459662872 1046845356 /nfs/dbraw/zinc/84/53/56/1046845356.db2.gz CAALGEMCCSMSPR-CYBMUJFWSA-N 1 1 346.377 4.328 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000026363483 1046883076 /nfs/dbraw/zinc/88/30/76/1046883076.db2.gz XCXNMQHNDWUOHQ-NEPJUHHUSA-N 1 1 345.830 4.099 20 30 EIEDMO CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600045 1046883546 /nfs/dbraw/zinc/88/35/46/1046883546.db2.gz RFGIZHQZIOQGTC-KRWDZBQOSA-N 1 1 341.499 4.121 20 30 EIEDMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480519 1046890907 /nfs/dbraw/zinc/89/09/07/1046890907.db2.gz NQPSACFLNQERFZ-SFHVURJKSA-N 1 1 333.863 4.051 20 30 EIEDMO CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620740 1046897037 /nfs/dbraw/zinc/89/70/37/1046897037.db2.gz PKWBVLMNTMRPPG-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620740 1046897041 /nfs/dbraw/zinc/89/70/41/1046897041.db2.gz PKWBVLMNTMRPPG-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cnc2cc(C)c(C)cc21 ZINC000917485059 1046907576 /nfs/dbraw/zinc/90/75/76/1046907576.db2.gz KDBZJJJDMXSZPJ-UHFFFAOYSA-N 1 1 335.451 4.307 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537047504 1046914771 /nfs/dbraw/zinc/91/47/71/1046914771.db2.gz QHTNBNXBBIHNAF-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420471 1047003106 /nfs/dbraw/zinc/00/31/06/1047003106.db2.gz HQFWLIYABNZAME-IUODEOHRSA-N 1 1 326.362 4.140 20 30 EIEDMO C[C@H]1C[C@H]1c1ccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296853 1047078050 /nfs/dbraw/zinc/07/80/50/1047078050.db2.gz HXPSNRQBWJVOKA-HRAATJIYSA-N 1 1 349.478 4.029 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000128831232 1047101875 /nfs/dbraw/zinc/10/18/75/1047101875.db2.gz VQFSTVZXIGDVMJ-QZTJIDSGSA-N 1 1 341.499 4.124 20 30 EIEDMO C#CCC1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCCCC1 ZINC000788451040 1047191517 /nfs/dbraw/zinc/19/15/17/1047191517.db2.gz NRBQDYUZQQGTJY-KRWDZBQOSA-N 1 1 349.478 4.332 20 30 EIEDMO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000537407018 1047199180 /nfs/dbraw/zinc/19/91/80/1047199180.db2.gz MQYZSYAWZPBQES-AWEZNQCLSA-N 1 1 339.414 4.265 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000897589240 1047319080 /nfs/dbraw/zinc/31/90/80/1047319080.db2.gz VDCZHRHNALPWFO-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](C(CC)CC)C2CC2)c1=S ZINC000918178241 1047369832 /nfs/dbraw/zinc/36/98/32/1047369832.db2.gz DKKVDSIUZBTEHR-UHFFFAOYSA-N 1 1 346.500 4.471 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](C(CC)CC)C2CC2)c1=S ZINC000918178241 1047369839 /nfs/dbraw/zinc/36/98/39/1047369839.db2.gz DKKVDSIUZBTEHR-UHFFFAOYSA-N 1 1 346.500 4.471 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000154753539 1047507811 /nfs/dbraw/zinc/50/78/11/1047507811.db2.gz ZYNRHPUXLZOWRW-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C)s1)C(C)C ZINC000498560677 1047753274 /nfs/dbraw/zinc/75/32/74/1047753274.db2.gz BBUPJEVEJLCDEG-UHFFFAOYSA-N 1 1 342.508 4.236 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000155016537 1047876768 /nfs/dbraw/zinc/87/67/68/1047876768.db2.gz SSPMXECETMIVQS-CQSZACIVSA-N 1 1 338.432 4.266 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000194956891 1047890645 /nfs/dbraw/zinc/89/06/45/1047890645.db2.gz UKVZXVUOYXGFLC-UHFFFAOYSA-N 1 1 336.826 4.024 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000194956891 1047890650 /nfs/dbraw/zinc/89/06/50/1047890650.db2.gz UKVZXVUOYXGFLC-UHFFFAOYSA-N 1 1 336.826 4.024 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)c(OC)c1 ZINC000814227112 1047898361 /nfs/dbraw/zinc/89/83/61/1047898361.db2.gz CUNVHOAFOLTGMX-FQEVSTJZSA-N 1 1 338.451 4.107 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000814256559 1047904952 /nfs/dbraw/zinc/90/49/52/1047904952.db2.gz JLBSAGFEBWJKDD-OAHLLOKOSA-N 1 1 338.386 4.005 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(F)c1 ZINC000808448318 1047909879 /nfs/dbraw/zinc/90/98/79/1047909879.db2.gz BESXYRNKYSYGCT-FCHUYYIVSA-N 1 1 346.405 4.262 20 30 EIEDMO CCCCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001131298514 1047938187 /nfs/dbraw/zinc/93/81/87/1047938187.db2.gz JJZXOXJLHUOFNF-HXUWFJFHSA-N 1 1 330.516 4.436 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072692886 1048050363 /nfs/dbraw/zinc/05/03/63/1048050363.db2.gz IHVGBBVIZCYNBG-UHFFFAOYSA-N 1 1 335.879 4.320 20 30 EIEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000919770964 1048059787 /nfs/dbraw/zinc/05/97/87/1048059787.db2.gz YGVQSXWOSUQSGT-DLBZAZTESA-N 1 1 329.488 4.026 20 30 EIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000072817372 1048097434 /nfs/dbraw/zinc/09/74/34/1048097434.db2.gz BQOYXCPWWWSULX-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000072817372 1048097448 /nfs/dbraw/zinc/09/74/48/1048097448.db2.gz BQOYXCPWWWSULX-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C[C@@H](C#N)OCC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000808780998 1048107487 /nfs/dbraw/zinc/10/74/87/1048107487.db2.gz JEASWRWQTUAJDF-LBPRGKRZSA-N 1 1 327.255 4.101 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC001143350444 1048110984 /nfs/dbraw/zinc/11/09/84/1048110984.db2.gz KCZUVGNJJIAZNB-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO CCC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072896244 1048127190 /nfs/dbraw/zinc/12/71/90/1048127190.db2.gz HQBOSTGMLCVVGL-IBGZPJMESA-N 1 1 345.512 4.143 20 30 EIEDMO CCC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072896244 1048127198 /nfs/dbraw/zinc/12/71/98/1048127198.db2.gz HQBOSTGMLCVVGL-IBGZPJMESA-N 1 1 345.512 4.143 20 30 EIEDMO C[C@H]1C(N=Nc2nncc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000814705786 1048130838 /nfs/dbraw/zinc/13/08/38/1048130838.db2.gz NEICVPKOXMUFGD-INIZCTEOSA-N 1 1 345.450 4.082 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716076 1048163003 /nfs/dbraw/zinc/16/30/03/1048163003.db2.gz CSPWIESROJVMSG-HNNXBMFYSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716076 1048163018 /nfs/dbraw/zinc/16/30/18/1048163018.db2.gz CSPWIESROJVMSG-HNNXBMFYSA-N 1 1 326.827 4.210 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377911 1048314051 /nfs/dbraw/zinc/31/40/51/1048314051.db2.gz YJXYWYLTZOQNEF-IBGZPJMESA-N 1 1 334.891 4.343 20 30 EIEDMO C=CC[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001144020897 1048369344 /nfs/dbraw/zinc/36/93/44/1048369344.db2.gz JFBZVRVVDPLPIL-LPHOPBHVSA-N 1 1 334.463 4.415 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(OCC)ccc1O)c1ccc(Cl)cc1F ZINC000809698892 1048461414 /nfs/dbraw/zinc/46/14/14/1048461414.db2.gz IQXFOXXLZKTJAS-QGZVFWFLSA-N 1 1 333.790 4.048 20 30 EIEDMO C=CC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccs1 ZINC000074329160 1048472825 /nfs/dbraw/zinc/47/28/25/1048472825.db2.gz PJCVZNQIXPCLAU-UHFFFAOYSA-N 1 1 325.437 4.029 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nc1 ZINC001144163246 1048473809 /nfs/dbraw/zinc/47/38/09/1048473809.db2.gz WVRSWDHBNULMML-QFIPXVFZSA-N 1 1 325.415 4.101 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nc1 ZINC001144163246 1048473826 /nfs/dbraw/zinc/47/38/26/1048473826.db2.gz WVRSWDHBNULMML-QFIPXVFZSA-N 1 1 325.415 4.101 20 30 EIEDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001144222000 1048514940 /nfs/dbraw/zinc/51/49/40/1048514940.db2.gz KLKZHTCNMFOUDZ-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2O)C1 ZINC000920173966 1048571402 /nfs/dbraw/zinc/57/14/02/1048571402.db2.gz HYDPHKARPWQBRI-ROTSCOARSA-N 1 1 328.843 4.300 20 30 EIEDMO CCOc1ccc(O)c(/C=N\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175091 1048575206 /nfs/dbraw/zinc/57/52/06/1048575206.db2.gz TYSXVMBWAFKGTA-LMZUZTJHSA-N 1 1 338.451 4.045 20 30 EIEDMO COc1ccccc1C[N@@H+](CCCSCC#N)Cc1cccs1 ZINC000074981391 1048636699 /nfs/dbraw/zinc/63/66/99/1048636699.db2.gz CPPKCUDIUVXXTB-UHFFFAOYSA-N 1 1 346.521 4.406 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001135305871 1048651624 /nfs/dbraw/zinc/65/16/24/1048651624.db2.gz ADYRQKAGEOCQBC-KRWDZBQOSA-N 1 1 348.899 4.219 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2cccc(F)c2)c1C ZINC000920386201 1048662878 /nfs/dbraw/zinc/66/28/78/1048662878.db2.gz TYWOAUOYYGAXGO-FQEVSTJZSA-N 1 1 342.462 4.174 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001144569018 1048733158 /nfs/dbraw/zinc/73/31/58/1048733158.db2.gz IOEICNRVFWYGTL-PKTZIBPZSA-N 1 1 331.459 4.207 20 30 EIEDMO CCCCCC[C@H](CC)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170602000 1048747519 /nfs/dbraw/zinc/74/75/19/1048747519.db2.gz VJWFPRUNONAMNH-IBGZPJMESA-N 1 1 328.504 4.214 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204184 1048780499 /nfs/dbraw/zinc/78/04/99/1048780499.db2.gz UJGHOHHQPLYYBD-MSOLQXFVSA-N 1 1 336.479 4.451 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(CC(C)C)CC2)c(C#N)c1C ZINC001170835593 1048843343 /nfs/dbraw/zinc/84/33/43/1048843343.db2.gz MHIGFYBNILYEBM-HNNXBMFYSA-N 1 1 345.487 4.243 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743735 1048847805 /nfs/dbraw/zinc/84/78/05/1048847805.db2.gz XORVWXQIXNAYRO-QGZVFWFLSA-N 1 1 349.459 4.211 20 30 EIEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001171222810 1048857283 /nfs/dbraw/zinc/85/72/83/1048857283.db2.gz JIZADZWKYNWPLA-GCJKJVERSA-N 1 1 334.463 4.045 20 30 EIEDMO COc1cccc(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000747629739 1048864394 /nfs/dbraw/zinc/86/43/94/1048864394.db2.gz LQTSNDWUFHYQNB-UHFFFAOYSA-N 1 1 325.456 4.251 20 30 EIEDMO COc1ccc(C2=CC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171231945 1048870591 /nfs/dbraw/zinc/87/05/91/1048870591.db2.gz OLUXQGMYFFHECE-KRWDZBQOSA-N 1 1 332.447 4.287 20 30 EIEDMO COc1ccc(C2=CC[N@H+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171231946 1048870913 /nfs/dbraw/zinc/87/09/13/1048870913.db2.gz OLUXQGMYFFHECE-QGZVFWFLSA-N 1 1 332.447 4.287 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021989 1048981094 /nfs/dbraw/zinc/98/10/94/1048981094.db2.gz DQOOXRMBKXTRKL-CHWSQXEVSA-N 1 1 349.356 4.162 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021989 1048981110 /nfs/dbraw/zinc/98/11/10/1048981110.db2.gz DQOOXRMBKXTRKL-CHWSQXEVSA-N 1 1 349.356 4.162 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CCC2)cc1 ZINC000847050525 1048985837 /nfs/dbraw/zinc/98/58/37/1048985837.db2.gz ADKBAGZACIIYDR-UHFFFAOYSA-N 1 1 341.798 4.289 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000077285769 1049000060 /nfs/dbraw/zinc/00/00/60/1049000060.db2.gz FXGAKWLTUDDPLO-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000077285769 1049000076 /nfs/dbraw/zinc/00/00/76/1049000076.db2.gz FXGAKWLTUDDPLO-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)cc1 ZINC001171278772 1049038500 /nfs/dbraw/zinc/03/85/00/1049038500.db2.gz RJVACOUGRKDWOV-NRFANRHFSA-N 1 1 346.474 4.265 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986662 1049080527 /nfs/dbraw/zinc/08/05/27/1049080527.db2.gz STCUQCIUYVGIKB-DOTOQJQBSA-N 1 1 334.891 4.143 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc(Cl)cc1 ZINC000811517561 1049101090 /nfs/dbraw/zinc/10/10/90/1049101090.db2.gz VSUDVYPRIIYGCX-SFHVURJKSA-N 1 1 327.859 4.044 20 30 EIEDMO C=CCC1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC001147443478 1049159555 /nfs/dbraw/zinc/15/95/55/1049159555.db2.gz QDZWKXMYSOMXPI-GOSISDBHSA-N 1 1 344.474 4.043 20 30 EIEDMO N#Cc1ccc([C@@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)cc1 ZINC000819431372 1049327335 /nfs/dbraw/zinc/32/73/35/1049327335.db2.gz UKSKMMIPHIMJPL-NRFANRHFSA-N 1 1 335.451 4.306 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000609800927 1049331473 /nfs/dbraw/zinc/33/14/73/1049331473.db2.gz WODUVUAZZISEQN-FQEVSTJZSA-N 1 1 333.460 4.101 20 30 EIEDMO N#Cc1c(C[N@H+]2CCS[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000609800927 1049331479 /nfs/dbraw/zinc/33/14/79/1049331479.db2.gz WODUVUAZZISEQN-FQEVSTJZSA-N 1 1 333.460 4.101 20 30 EIEDMO Cc1c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1-c1ccccc1 ZINC000773023489 1049537640 /nfs/dbraw/zinc/53/76/40/1049537640.db2.gz GGDUSNZRLOKXOZ-CQSZACIVSA-N 1 1 334.398 4.042 20 30 EIEDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(O[C@@H](C)C#N)cc3)cc2)c1C ZINC000812785440 1049575984 /nfs/dbraw/zinc/57/59/84/1049575984.db2.gz QHDGXRFMOLNQEX-HNNXBMFYSA-N 1 1 346.434 4.392 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O[C@H](C)CC)c1)c1ccc(F)cc1 ZINC000812792657 1049579715 /nfs/dbraw/zinc/57/97/15/1049579715.db2.gz GARZSJQCEYPJRC-DNVCBOLYSA-N 1 1 341.426 4.476 20 30 EIEDMO C#CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115688 1049586731 /nfs/dbraw/zinc/58/67/31/1049586731.db2.gz OENTVBMBRDTOCX-OIBXWCBGSA-N 1 1 332.491 4.394 20 30 EIEDMO C#CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115688 1049586746 /nfs/dbraw/zinc/58/67/46/1049586746.db2.gz OENTVBMBRDTOCX-OIBXWCBGSA-N 1 1 332.491 4.394 20 30 EIEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)n1C ZINC000821021107 1049589349 /nfs/dbraw/zinc/58/93/49/1049589349.db2.gz DITZQVCGXOTWNF-BUHFOSPRSA-N 1 1 331.419 4.049 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccc(F)cc1 ZINC000812792893 1049592909 /nfs/dbraw/zinc/59/29/09/1049592909.db2.gz KDVPUBIMYBDODQ-GOSISDBHSA-N 1 1 327.399 4.087 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853229 1049613309 /nfs/dbraw/zinc/61/33/09/1049613309.db2.gz DANIBDFGYIEYEC-JXFKEZNVSA-N 1 1 327.855 4.136 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001171489985 1049718572 /nfs/dbraw/zinc/71/85/72/1049718572.db2.gz LPYZTBJZMDRRNR-AWEZNQCLSA-N 1 1 343.268 4.233 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001171572414 1049758908 /nfs/dbraw/zinc/75/89/08/1049758908.db2.gz IGHLTRWGPOISHZ-GFCCVEGCSA-N 1 1 329.387 4.152 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001136595674 1049771332 /nfs/dbraw/zinc/77/13/32/1049771332.db2.gz JVJDBFFUKACUHJ-KRWDZBQOSA-N 1 1 342.483 4.235 20 30 EIEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC(c2ccccc2)CC1 ZINC001171791150 1049804488 /nfs/dbraw/zinc/80/44/88/1049804488.db2.gz APMWSLFYMRYACC-PSGUAHCZSA-N 1 1 348.490 4.497 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001171867325 1049815207 /nfs/dbraw/zinc/81/52/07/1049815207.db2.gz BAEZZJQEHHKAEV-GOSISDBHSA-N 1 1 347.849 4.124 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001171867325 1049815208 /nfs/dbraw/zinc/81/52/08/1049815208.db2.gz BAEZZJQEHHKAEV-GOSISDBHSA-N 1 1 347.849 4.124 20 30 EIEDMO CC1(C)C[C@@H](N[C@H](C#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171961586 1049824463 /nfs/dbraw/zinc/82/44/63/1049824463.db2.gz AQEITWBLZPPROU-LEWJYISDSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029108 1049825004 /nfs/dbraw/zinc/82/50/04/1049825004.db2.gz DTVMRWRAZGQDHB-MRXNPFEDSA-N 1 1 331.419 4.014 20 30 EIEDMO CC(C)C[C@@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978876 1049838244 /nfs/dbraw/zinc/83/82/44/1049838244.db2.gz MNNCVAHNOBVRKJ-CTNGQTDRSA-N 1 1 327.516 4.348 20 30 EIEDMO CC1(C)C[C@@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171983873 1049841065 /nfs/dbraw/zinc/84/10/65/1049841065.db2.gz QDINFPVBQFEAIP-QFIPXVFZSA-N 1 1 332.491 4.071 20 30 EIEDMO CCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073556 1049844440 /nfs/dbraw/zinc/84/44/40/1049844440.db2.gz AFYPNLMERQRSMX-WKCHPHFGSA-N 1 1 325.500 4.198 20 30 EIEDMO CC[C@@H](C)OCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172322458 1049878394 /nfs/dbraw/zinc/87/83/94/1049878394.db2.gz UTEVDMHFQKWRSP-RKDXNWHRSA-N 1 1 327.284 4.003 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001172356303 1049894301 /nfs/dbraw/zinc/89/43/01/1049894301.db2.gz VWNLKXCDRDTYTA-AZUAARDMSA-N 1 1 330.520 4.270 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001172357202 1049894714 /nfs/dbraw/zinc/89/47/14/1049894714.db2.gz JGOJOQLGOFAWSD-KRWDZBQOSA-N 1 1 349.519 4.405 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001172357638 1049894720 /nfs/dbraw/zinc/89/47/20/1049894720.db2.gz LFCOTNMBJQOOCP-MOPGFXCFSA-N 1 1 335.536 4.495 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000616773396 1049917255 /nfs/dbraw/zinc/91/72/55/1049917255.db2.gz NYQMNJJRBGZXHX-OAQYLSRUSA-N 1 1 337.442 4.014 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001172498851 1049922667 /nfs/dbraw/zinc/92/26/67/1049922667.db2.gz RTFLCSWCIZYHSG-OAHLLOKOSA-N 1 1 343.471 4.474 20 30 EIEDMO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172498361 1049923356 /nfs/dbraw/zinc/92/33/56/1049923356.db2.gz MCEYKAPWRPKMFS-UYAOXDASSA-N 1 1 343.515 4.064 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172505242 1049923917 /nfs/dbraw/zinc/92/39/17/1049923917.db2.gz KWLUYUAFVIBWBG-MKXGPGLRSA-N 1 1 339.520 4.168 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001212324898 1050058818 /nfs/dbraw/zinc/05/88/18/1050058818.db2.gz BQQYZEQTAMYGMD-IBGZPJMESA-N 1 1 342.402 4.079 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(OCc3ccccc3)c2)no1 ZINC001212325556 1050061790 /nfs/dbraw/zinc/06/17/90/1050061790.db2.gz UTEBDBXLONBGLE-IBGZPJMESA-N 1 1 347.418 4.119 20 30 EIEDMO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172848338 1050186472 /nfs/dbraw/zinc/18/64/72/1050186472.db2.gz UKURLDDXODIICN-CYBMUJFWSA-N 1 1 328.818 4.340 20 30 EIEDMO CCCOC1CCC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC001173091530 1050282918 /nfs/dbraw/zinc/28/29/18/1050282918.db2.gz URWYPQTXYYYCLH-UHFFFAOYSA-N 1 1 339.295 4.147 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000091723325 1050277442 /nfs/dbraw/zinc/27/74/42/1050277442.db2.gz QIQJMALVHFFKEQ-CQSZACIVSA-N 1 1 328.481 4.438 20 30 EIEDMO Cc1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)ccc1C#N ZINC000618195883 1050306046 /nfs/dbraw/zinc/30/60/46/1050306046.db2.gz QRWFYWQEFKNOEQ-HXUWFJFHSA-N 1 1 334.467 4.346 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249153 1050377287 /nfs/dbraw/zinc/37/72/87/1050377287.db2.gz YCZSBVGJDWUGOD-BVYCBKJFSA-N 1 1 343.511 4.006 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](CCCC)CC(C)C)CC2 ZINC001173259973 1050384324 /nfs/dbraw/zinc/38/43/24/1050384324.db2.gz KDLBHPADKVXVMI-KRWDZBQOSA-N 1 1 333.520 4.086 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@H](CC)C3)C2)CC1 ZINC001173275873 1050390125 /nfs/dbraw/zinc/39/01/25/1050390125.db2.gz WIAJEAUALQMPOO-ROUUACIJSA-N 1 1 334.504 4.066 20 30 EIEDMO C=CCOC1CCC([N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001173321650 1050415705 /nfs/dbraw/zinc/41/57/05/1050415705.db2.gz NOUXSVKLILEWJU-OCDPCBSRSA-N 1 1 331.500 4.462 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326900 1050417658 /nfs/dbraw/zinc/41/76/58/1050417658.db2.gz UKXKSGNNYPXPQY-MHJFOBGBSA-N 1 1 349.902 4.401 20 30 EIEDMO CC[N@H+]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368410 1050443259 /nfs/dbraw/zinc/44/32/59/1050443259.db2.gz PKPQURJAUGAHFD-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368410 1050443265 /nfs/dbraw/zinc/44/32/65/1050443265.db2.gz PKPQURJAUGAHFD-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368410 1050443270 /nfs/dbraw/zinc/44/32/70/1050443270.db2.gz PKPQURJAUGAHFD-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCCCC[N@@H+](CCNc1cc(C)c(C#N)cn1)Cc1ccccc1 ZINC001186941082 1050443835 /nfs/dbraw/zinc/44/38/35/1050443835.db2.gz WOXKQVPZOWAUDB-UHFFFAOYSA-N 1 1 336.483 4.366 20 30 EIEDMO C=C(C)CNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186946127 1050450571 /nfs/dbraw/zinc/45/05/71/1050450571.db2.gz BVAMIDGAACYVFS-NQIIRXRSSA-N 1 1 348.490 4.179 20 30 EIEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc1Br ZINC001187064254 1050472573 /nfs/dbraw/zinc/47/25/73/1050472573.db2.gz RJDFNHUXERGGBA-MRXNPFEDSA-N 1 1 348.288 4.140 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173596667 1050497220 /nfs/dbraw/zinc/49/72/20/1050497220.db2.gz BDSXXPLVTYIUCT-SCCNAQOGSA-N 1 1 340.467 4.473 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173596665 1050497273 /nfs/dbraw/zinc/49/72/73/1050497273.db2.gz BDSXXPLVTYIUCT-OBXNSHGQSA-N 1 1 340.467 4.473 20 30 EIEDMO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593100 1050497882 /nfs/dbraw/zinc/49/78/82/1050497882.db2.gz HZBAHEILRZQGMH-UREXAPBRSA-N 1 1 339.527 4.207 20 30 EIEDMO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173599922 1050499235 /nfs/dbraw/zinc/49/92/35/1050499235.db2.gz SXTRDBQJQBMHGA-PMJAUZGISA-N 1 1 339.527 4.301 20 30 EIEDMO CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173599318 1050499724 /nfs/dbraw/zinc/49/97/24/1050499724.db2.gz JYOBMUCDBXYCHQ-UHFFFAOYSA-N 1 1 349.519 4.180 20 30 EIEDMO CC1(C#N)CCC([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502288 /nfs/dbraw/zinc/50/22/88/1050502288.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 1 1 337.511 4.057 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502302 /nfs/dbraw/zinc/50/23/02/1050502302.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 1 1 337.511 4.057 20 30 EIEDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763502378 1050529963 /nfs/dbraw/zinc/52/99/63/1050529963.db2.gz UPPPAZCVEOUWQU-JOCHJYFZSA-N 1 1 346.430 4.196 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC001178754469 1050544361 /nfs/dbraw/zinc/54/43/61/1050544361.db2.gz ONNBICARHATRMX-UHFFFAOYSA-N 1 1 340.473 4.173 20 30 EIEDMO CC(=O)Oc1ccc(C2CCC([N@H+]3CCC[C@@H](C#N)CC3)CC2)cc1 ZINC001173789567 1050571770 /nfs/dbraw/zinc/57/17/70/1050571770.db2.gz KPNQPAMAZQUOGN-PGYGNJIDSA-N 1 1 340.467 4.264 20 30 EIEDMO COc1cccc(-c2csc(C[NH2+]Cc3ccc(C)c(C#N)c3)n2)c1 ZINC001179562660 1050716165 /nfs/dbraw/zinc/71/61/65/1050716165.db2.gz KVXLIFSQEPOUFR-UHFFFAOYSA-N 1 1 349.459 4.289 20 30 EIEDMO C#CC[N@H+](Cc1cccc(F)c1OC(F)(F)F)C1CCCCC1 ZINC001180030758 1050859237 /nfs/dbraw/zinc/85/92/37/1050859237.db2.gz OOHMAUJZDLBNGH-UHFFFAOYSA-N 1 1 329.337 4.492 20 30 EIEDMO CCOc1cccc(F)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001180132845 1050881781 /nfs/dbraw/zinc/88/17/81/1050881781.db2.gz NNZUGQYFWKWDCB-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1cccc(F)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001180132845 1050881784 /nfs/dbraw/zinc/88/17/84/1050881784.db2.gz NNZUGQYFWKWDCB-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749002 1050895711 /nfs/dbraw/zinc/89/57/11/1050895711.db2.gz VUBZYYHOPKTBQI-KXBFYZLASA-N 1 1 339.870 4.137 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749002 1050895724 /nfs/dbraw/zinc/89/57/24/1050895724.db2.gz VUBZYYHOPKTBQI-KXBFYZLASA-N 1 1 339.870 4.137 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Br)cc1Cl ZINC000619749058 1050896691 /nfs/dbraw/zinc/89/66/91/1050896691.db2.gz YWKBYOVGKUXZCD-UHFFFAOYSA-N 1 1 335.632 4.264 20 30 EIEDMO CC1(C)CCC[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001180184034 1050897632 /nfs/dbraw/zinc/89/76/32/1050897632.db2.gz KCUYADJMIGKYAM-SFHVURJKSA-N 1 1 325.500 4.287 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968702 1050911846 /nfs/dbraw/zinc/91/18/46/1050911846.db2.gz RGPNJBLOLFWJJP-HNNXBMFYSA-N 1 1 338.442 4.288 20 30 EIEDMO CCCC(C)(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815709 1050919272 /nfs/dbraw/zinc/91/92/72/1050919272.db2.gz NVWJWAZTFKFSDN-IBGZPJMESA-N 1 1 349.544 4.183 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(-c2ccccc2F)nc1C ZINC001180333084 1050972910 /nfs/dbraw/zinc/97/29/10/1050972910.db2.gz ZEDSRIQDQAVTDY-UHFFFAOYSA-N 1 1 339.414 4.144 20 30 EIEDMO C[C@H](CCC#N)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001180372503 1050983458 /nfs/dbraw/zinc/98/34/58/1050983458.db2.gz TULDECJFXPYFIO-HXUWFJFHSA-N 1 1 347.506 4.333 20 30 EIEDMO C[C@@H]1Cc2[nH+]cn(CC#Cc3ccc(OC(F)(F)F)cc3)c2C[C@H]1C ZINC001189407684 1050987346 /nfs/dbraw/zinc/98/73/46/1050987346.db2.gz IIMRVZKMJYCPPK-ZIAGYGMSSA-N 1 1 348.368 4.204 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](OC)c1ccc(F)cc1 ZINC001190347524 1051160892 /nfs/dbraw/zinc/16/08/92/1051160892.db2.gz CUWWZKWNBBYGED-FQEVSTJZSA-N 1 1 326.415 4.297 20 30 EIEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccc1C#N ZINC001181163255 1051180350 /nfs/dbraw/zinc/18/03/50/1051180350.db2.gz QEDCLBNTLMAYHI-WKCHPHFGSA-N 1 1 332.447 4.477 20 30 EIEDMO C#CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529619 1051206154 /nfs/dbraw/zinc/20/61/54/1051206154.db2.gz UXAVPIRCWGSYHV-HXUWFJFHSA-N 1 1 325.839 4.471 20 30 EIEDMO C#CC[N@H+](Cc1cc(OC)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529619 1051206167 /nfs/dbraw/zinc/20/61/67/1051206167.db2.gz UXAVPIRCWGSYHV-HXUWFJFHSA-N 1 1 325.839 4.471 20 30 EIEDMO COC(=O)c1csc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC001190616316 1051220380 /nfs/dbraw/zinc/22/03/80/1051220380.db2.gz LEIWSHVWISXFQG-UHFFFAOYSA-N 1 1 342.464 4.065 20 30 EIEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC1CCCCC1 ZINC001190706651 1051250715 /nfs/dbraw/zinc/25/07/15/1051250715.db2.gz AUVKCFLCDUMETA-IDYZSHNDSA-N 1 1 347.547 4.208 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1Cc1cccc(C#N)c1 ZINC001174942541 1051263039 /nfs/dbraw/zinc/26/30/39/1051263039.db2.gz XAQMNDFBLXEHJZ-UHFFFAOYSA-N 1 1 347.506 4.433 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154733339 1051333148 /nfs/dbraw/zinc/33/31/48/1051333148.db2.gz RLYKWOFWCNLXKR-UHFFFAOYSA-N 1 1 326.469 4.262 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154733339 1051333169 /nfs/dbraw/zinc/33/31/69/1051333169.db2.gz RLYKWOFWCNLXKR-UHFFFAOYSA-N 1 1 326.469 4.262 20 30 EIEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191112939 1051356437 /nfs/dbraw/zinc/35/64/37/1051356437.db2.gz PFRASAZNEUCECI-UYAOXDASSA-N 1 1 345.531 4.309 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)ccc1Cl ZINC001191193197 1051394152 /nfs/dbraw/zinc/39/41/52/1051394152.db2.gz JZBVAVNUKHOTSU-ZBFHGGJFSA-N 1 1 347.890 4.016 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001182186371 1051417445 /nfs/dbraw/zinc/41/74/45/1051417445.db2.gz INNVJUHDQSZGLA-IBGZPJMESA-N 1 1 342.483 4.124 20 30 EIEDMO CCCC[N@@H+](CC)[C@@H](C(=O)Nc1occ(C)c1C#N)c1ccccc1 ZINC001182231591 1051429424 /nfs/dbraw/zinc/42/94/24/1051429424.db2.gz KIAFDHXUOPGFLK-GOSISDBHSA-N 1 1 339.439 4.262 20 30 EIEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1 ZINC001182237409 1051433185 /nfs/dbraw/zinc/43/31/85/1051433185.db2.gz VURMZVFCWWXYGU-MISYRCLQSA-N 1 1 341.499 4.048 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000183834060 1051512712 /nfs/dbraw/zinc/51/27/12/1051512712.db2.gz YMCMVWCMUXKSDL-LLVKDONJSA-N 1 1 335.270 4.427 20 30 EIEDMO N#CCC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC1CC1 ZINC000157149154 1051604848 /nfs/dbraw/zinc/60/48/48/1051604848.db2.gz ILSPVTZJYOUMGM-UHFFFAOYSA-N 1 1 330.435 4.127 20 30 EIEDMO N#CCC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC1CC1 ZINC000157149154 1051604859 /nfs/dbraw/zinc/60/48/59/1051604859.db2.gz ILSPVTZJYOUMGM-UHFFFAOYSA-N 1 1 330.435 4.127 20 30 EIEDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)n1 ZINC001192040606 1051619709 /nfs/dbraw/zinc/61/97/09/1051619709.db2.gz AMSNCQWGVRINBM-SFHVURJKSA-N 1 1 326.488 4.131 20 30 EIEDMO C=CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506733 1051646973 /nfs/dbraw/zinc/64/69/73/1051646973.db2.gz CWVYNSWTLUIHTB-COPCDDAFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506733 1051646983 /nfs/dbraw/zinc/64/69/83/1051646983.db2.gz CWVYNSWTLUIHTB-COPCDDAFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506733 1051646991 /nfs/dbraw/zinc/64/69/91/1051646991.db2.gz CWVYNSWTLUIHTB-COPCDDAFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000775506733 1051646997 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N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCCC1 ZINC001182929678 1051755593 /nfs/dbraw/zinc/75/55/93/1051755593.db2.gz GKKALVCTSXSINH-PZJWPPBQSA-N 1 1 337.511 4.418 20 30 EIEDMO C#CCC[N@H+](CCOC)Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001183053744 1051779330 /nfs/dbraw/zinc/77/93/30/1051779330.db2.gz QDTDFFQPHZMBLB-UHFFFAOYSA-N 1 1 327.855 4.479 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001192653613 1051780329 /nfs/dbraw/zinc/78/03/29/1051780329.db2.gz PDHLRVLWWZGVNU-HNNXBMFYSA-N 1 1 346.858 4.299 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001192653613 1051780347 /nfs/dbraw/zinc/78/03/47/1051780347.db2.gz PDHLRVLWWZGVNU-HNNXBMFYSA-N 1 1 346.858 4.299 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(F)cc1Cl ZINC000774593040 1051795098 /nfs/dbraw/zinc/79/50/98/1051795098.db2.gz WQJJKUZDSWTMMR-INIZCTEOSA-N 1 1 325.836 4.262 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774573621 1051795414 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CC(C)(C#N)c1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001183526917 1051853735 /nfs/dbraw/zinc/85/37/35/1051853735.db2.gz RWBHXHJYYUDQBG-UHFFFAOYSA-N 1 1 326.390 4.324 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccccn4)cc3)sc2C1 ZINC001176037310 1051881402 /nfs/dbraw/zinc/88/14/02/1051881402.db2.gz PUBMPJRSTQUXNE-UHFFFAOYSA-N 1 1 346.459 4.413 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC001176071734 1051886717 /nfs/dbraw/zinc/88/67/17/1051886717.db2.gz ZIDJEPMMHHDUBV-GFCCVEGCSA-N 1 1 335.234 4.494 20 30 EIEDMO CSc1ccc(C[NH2+]Cc2cncc(Cl)c2Cl)cc1C#N ZINC001183800814 1051900473 /nfs/dbraw/zinc/90/04/73/1051900473.db2.gz QCOMYYCFWBYKFT-UHFFFAOYSA-N 1 1 338.263 4.272 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001193943387 1052044389 /nfs/dbraw/zinc/04/43/89/1052044389.db2.gz WBAFUAIZOUQKSQ-CTNGQTDRSA-N 1 1 326.484 4.075 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001193943387 1052044409 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ZINC001195729136 1053462517 /nfs/dbraw/zinc/46/25/17/1053462517.db2.gz NOPKBOWBRRJHDP-KRWDZBQOSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1cncc(C#N)c1 ZINC001195729136 1053462524 /nfs/dbraw/zinc/46/25/24/1053462524.db2.gz NOPKBOWBRRJHDP-KRWDZBQOSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC001195851443 1053494700 /nfs/dbraw/zinc/49/47/00/1053494700.db2.gz JUJDMKUDNAZHTH-HNNXBMFYSA-N 1 1 326.465 4.179 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)C2CC(C)(C)CC(C)(C)C2)c(C#N)c1C ZINC001195962974 1053533747 /nfs/dbraw/zinc/53/37/47/1053533747.db2.gz FFLRZSYNWFLZON-UHFFFAOYSA-N 1 1 345.487 4.243 20 30 EIEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300424 1053566345 /nfs/dbraw/zinc/56/63/45/1053566345.db2.gz HXDSBDRTZVTOQL-AEFFLSMTSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776587361 1053567821 /nfs/dbraw/zinc/56/78/21/1053567821.db2.gz MSZZVWHOQBXKPY-DLBZAZTESA-N 1 1 349.519 4.180 20 30 EIEDMO Cc1ccccc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000852313898 1053568562 /nfs/dbraw/zinc/56/85/62/1053568562.db2.gz BEURBNZMEFVNAM-UHFFFAOYSA-N 1 1 339.395 4.054 20 30 EIEDMO C=CC[N@@H+](Cc1cc(Cl)cc(Br)c1)[C@@H](C)COC ZINC001196048077 1053571587 /nfs/dbraw/zinc/57/15/87/1053571587.db2.gz MOVIVRWWCHOMMH-NSHDSACASA-N 1 1 332.669 4.125 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(C)(C)C ZINC001196198418 1053609294 /nfs/dbraw/zinc/60/92/94/1053609294.db2.gz LHHONCYGNAJTMO-UHFFFAOYSA-N 1 1 343.496 4.344 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(C)(C)C ZINC001196198418 1053609300 /nfs/dbraw/zinc/60/93/00/1053609300.db2.gz LHHONCYGNAJTMO-UHFFFAOYSA-N 1 1 343.496 4.344 20 30 EIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCOCCC#N)C1CC1 ZINC000338952880 1053611197 /nfs/dbraw/zinc/61/11/97/1053611197.db2.gz GZUPQJCSQIOGKS-CYBMUJFWSA-N 1 1 326.362 4.161 20 30 EIEDMO Cc1cncc(C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)n1 ZINC001203175249 1053652866 /nfs/dbraw/zinc/65/28/66/1053652866.db2.gz LUKSLIJOESOCRL-SFHVURJKSA-N 1 1 342.446 4.420 20 30 EIEDMO Cc1cncc(C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)n1 ZINC001203175249 1053652873 /nfs/dbraw/zinc/65/28/73/1053652873.db2.gz LUKSLIJOESOCRL-SFHVURJKSA-N 1 1 342.446 4.420 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866245039 1053662797 /nfs/dbraw/zinc/66/27/97/1053662797.db2.gz HIIVBBDYYQQFEH-ZBEGNZNMSA-N 1 1 328.412 4.291 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1O ZINC000866247414 1053663190 /nfs/dbraw/zinc/66/31/90/1053663190.db2.gz VCQMARZQXDJCIS-ZBEGNZNMSA-N 1 1 328.799 4.092 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866301174 1053682988 /nfs/dbraw/zinc/68/29/88/1053682988.db2.gz ZLQLLQHOHOPOIX-ZIAGYGMSSA-N 1 1 334.423 4.045 20 30 EIEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622931 1053716273 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C#CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCCc2ccccc21 ZINC001198103163 1054079299 /nfs/dbraw/zinc/07/92/99/1054079299.db2.gz DNRQKUODHDFMAY-OAQYLSRUSA-N 1 1 330.431 4.080 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414534 1054139046 /nfs/dbraw/zinc/13/90/46/1054139046.db2.gz VWHZRJNVZJQRSZ-INIZCTEOSA-N 1 1 344.480 4.455 20 30 EIEDMO Cc1cccc(C2=CC[N@@H+](CCOc3ccccc3C#N)CC2)c1C ZINC001198563403 1054185638 /nfs/dbraw/zinc/18/56/38/1054185638.db2.gz LHUJSEPLCNVPCW-UHFFFAOYSA-N 1 1 332.447 4.343 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000123620409 1054211938 /nfs/dbraw/zinc/21/19/38/1054211938.db2.gz IKUBFIRLDVWZDY-HNNXBMFYSA-N 1 1 328.843 4.305 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(O)ccc2F)c1 ZINC000872045052 1054358421 /nfs/dbraw/zinc/35/84/21/1054358421.db2.gz HWSGRTBNSSTYKZ-CJNGLKHVSA-N 1 1 328.387 4.063 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024020 1054403661 /nfs/dbraw/zinc/40/36/61/1054403661.db2.gz SYYUZMZUKUGYTQ-IIBYNOLFSA-N 1 1 347.462 4.435 20 30 EIEDMO N#CC1(CC[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052726 1054410726 /nfs/dbraw/zinc/41/07/26/1054410726.db2.gz ZNJSMSCNAASBLL-IBGZPJMESA-N 1 1 339.483 4.276 20 30 EIEDMO CSc1nnc(SC)n1[NH+]=CCCCc1ccc(C)c(C)c1 ZINC000872417959 1054444303 /nfs/dbraw/zinc/44/43/03/1054444303.db2.gz VMKDRMLXGPCTQG-UHFFFAOYSA-N 1 1 334.514 4.196 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012672 1054445508 /nfs/dbraw/zinc/44/55/08/1054445508.db2.gz INULANRJXJZZKO-WWGRRREGSA-N 1 1 326.362 4.140 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H]2CCCc3scnc32)cc(OC)c1OC ZINC000858376714 1054476671 /nfs/dbraw/zinc/47/66/71/1054476671.db2.gz PHUMZSMPTUJWJS-HNNXBMFYSA-N 1 1 344.480 4.056 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873174833 1054499639 /nfs/dbraw/zinc/49/96/39/1054499639.db2.gz WBSUZWCQYBOHJF-UHFFFAOYSA-N 1 1 337.467 4.280 20 30 EIEDMO C#CCCCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124477137 1054522167 /nfs/dbraw/zinc/52/21/67/1054522167.db2.gz GEEYFXLNXWWDHS-LJQANCHMSA-N 1 1 331.419 4.219 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000108359501 1054773849 /nfs/dbraw/zinc/77/38/49/1054773849.db2.gz BBSQXOWGERZCHV-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO CN(C)c1cc[nH+]cc1C=NN(Cc1ccccc1)c1ccccc1 ZINC000776183351 1054789911 /nfs/dbraw/zinc/78/99/11/1054789911.db2.gz LJWNBVHWBPTZNE-UHFFFAOYSA-N 1 1 330.435 4.188 20 30 EIEDMO C=CC[C@H](OC(=O)Cn1c[nH+]cc1C)c1ccc(Cl)c(Cl)c1 ZINC000860735041 1054857363 /nfs/dbraw/zinc/85/73/63/1054857363.db2.gz XHRWWNNUEVJQRB-HNNXBMFYSA-N 1 1 339.222 4.359 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCc1ccccc1)[C@@H]2CC ZINC001201661400 1054878991 /nfs/dbraw/zinc/87/89/91/1054878991.db2.gz PUUVMTZHUPJYLI-IRLDBZIGSA-N 1 1 340.511 4.041 20 30 EIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCOCCC#N)C1 ZINC000339021605 1054881102 /nfs/dbraw/zinc/88/11/02/1054881102.db2.gz BZBAVQMTDAGQOW-XJKSGUPXSA-N 1 1 326.362 4.019 20 30 EIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCOCCC#N)C1 ZINC000339021587 1054881682 /nfs/dbraw/zinc/88/16/82/1054881682.db2.gz BZBAVQMTDAGQOW-BBRMVZONSA-N 1 1 326.362 4.019 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001201762912 1054902463 /nfs/dbraw/zinc/90/24/63/1054902463.db2.gz ZFFXSLCVHYSPOY-NRFANRHFSA-N 1 1 343.515 4.009 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201815223 1054913942 /nfs/dbraw/zinc/91/39/42/1054913942.db2.gz ZYZNSPKOZQUVDO-PMACEKPBSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915124 /nfs/dbraw/zinc/91/51/24/1054915124.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 1 1 334.552 4.460 20 30 EIEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001201776867 1054919093 /nfs/dbraw/zinc/91/90/93/1054919093.db2.gz OJNQMVDOPWUIMN-PWRODBHTSA-N 1 1 346.515 4.048 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201840034 1054931996 /nfs/dbraw/zinc/93/19/96/1054931996.db2.gz SBLBUWNZPSWPQP-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201840034 1054932008 /nfs/dbraw/zinc/93/20/08/1054932008.db2.gz SBLBUWNZPSWPQP-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201840454 1054933758 /nfs/dbraw/zinc/93/37/58/1054933758.db2.gz WQMAOZYSWYXELJ-SFHVURJKSA-N 1 1 329.488 4.469 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCn2c(Br)cnc2C1 ZINC001201847652 1054935257 /nfs/dbraw/zinc/93/52/57/1054935257.db2.gz YBEHEYUTDJXKBH-UHFFFAOYSA-N 1 1 328.298 4.212 20 30 EIEDMO CCCCCCCCC[N@H+]1CCn2c(Br)cnc2C1 ZINC001201847652 1054935272 /nfs/dbraw/zinc/93/52/72/1054935272.db2.gz YBEHEYUTDJXKBH-UHFFFAOYSA-N 1 1 328.298 4.212 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)CCCC2 ZINC000876897453 1054977894 /nfs/dbraw/zinc/97/78/94/1054977894.db2.gz SXMBEYBKKSUUIC-CYBMUJFWSA-N 1 1 325.843 4.336 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000876905350 1054980864 /nfs/dbraw/zinc/98/08/64/1054980864.db2.gz GJBUKRUJZFKZBX-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(OC(F)F)c1 ZINC000876933570 1054985396 /nfs/dbraw/zinc/98/53/96/1054985396.db2.gz SPWLVNKVYNTELB-SNVBAGLBSA-N 1 1 337.757 4.059 20 30 EIEDMO C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000877170170 1055030712 /nfs/dbraw/zinc/03/07/12/1055030712.db2.gz JFTGDACPNUPTKJ-UZLBHIALSA-N 1 1 335.451 4.032 20 30 EIEDMO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(Br)cc1F ZINC000862312122 1055049356 /nfs/dbraw/zinc/04/93/56/1055049356.db2.gz FJHQQIISLYKLDN-UHFFFAOYSA-N 1 1 325.225 4.022 20 30 EIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)cnc1Cl ZINC000877503734 1055067963 /nfs/dbraw/zinc/06/79/63/1055067963.db2.gz VJJCDOPWJZWHAU-UHFFFAOYSA-N 1 1 329.831 4.115 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001137122757 1055083761 /nfs/dbraw/zinc/08/37/61/1055083761.db2.gz QSZVOLVCRILZQA-IBGZPJMESA-N 1 1 342.439 4.095 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601221 1055087916 /nfs/dbraw/zinc/08/79/16/1055087916.db2.gz XUBVOAUVLCTESA-IAGOWNOFSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898979 1055147473 /nfs/dbraw/zinc/14/74/73/1055147473.db2.gz WYPLAMINJVFIPX-VXKWHMMOSA-N 1 1 332.447 4.264 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968085 1055164626 /nfs/dbraw/zinc/16/46/26/1055164626.db2.gz IJXNLQRTNMPHKK-AVRDEDQJSA-N 1 1 334.463 4.429 20 30 EIEDMO CN(C)c1ccc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000794500226 1055165508 /nfs/dbraw/zinc/16/55/08/1055165508.db2.gz TVQZBVQKRVNWAW-UHFFFAOYSA-N 1 1 337.442 4.143 20 30 EIEDMO C[C@@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1 ZINC000794497756 1055179554 /nfs/dbraw/zinc/17/95/54/1055179554.db2.gz PVUQXYYOXKZYTI-CYBMUJFWSA-N 1 1 335.373 4.456 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516095 1055332611 /nfs/dbraw/zinc/33/26/11/1055332611.db2.gz OHPMFSUJZCUNPZ-INIZCTEOSA-N 1 1 327.428 4.009 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000878807434 1055401235 /nfs/dbraw/zinc/40/12/35/1055401235.db2.gz BJORPAUXSYZRHX-FDDCHVKYSA-N 1 1 346.474 4.089 20 30 EIEDMO CC1CC[NH+](Cc2cccc(CNCc3csc(C#N)c3)c2)CC1 ZINC000921689049 1055807714 /nfs/dbraw/zinc/80/77/14/1055807714.db2.gz PDMHHCRHAATHIB-UHFFFAOYSA-N 1 1 339.508 4.141 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000123095586 1055925232 /nfs/dbraw/zinc/92/52/32/1055925232.db2.gz RNLUQJRKDKEPLO-UHFFFAOYSA-N 1 1 335.382 4.218 20 30 EIEDMO Cc1ccc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc1C#N ZINC000302657981 1056061335 /nfs/dbraw/zinc/06/13/35/1056061335.db2.gz OKCFZWJUVANHGR-QGZVFWFLSA-N 1 1 334.467 4.248 20 30 EIEDMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412103 1056105525 /nfs/dbraw/zinc/10/55/25/1056105525.db2.gz USAMYIRUSQPIEN-DRSNIGMVSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412103 1056105575 /nfs/dbraw/zinc/10/55/75/1056105575.db2.gz USAMYIRUSQPIEN-DRSNIGMVSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412103 1056105610 /nfs/dbraw/zinc/10/56/10/1056105610.db2.gz USAMYIRUSQPIEN-DRSNIGMVSA-N 1 1 333.479 4.044 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000109326356 1056412997 /nfs/dbraw/zinc/41/29/97/1056412997.db2.gz DZIPNEPNGYYWPY-CQSZACIVSA-N 1 1 326.465 4.482 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000111041132 1056739157 /nfs/dbraw/zinc/73/91/57/1056739157.db2.gz KIGCQHAPRHKQTB-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000111052862 1056739572 /nfs/dbraw/zinc/73/95/72/1056739572.db2.gz CNAIDYXRNLOYTH-JOCHJYFZSA-N 1 1 345.490 4.285 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000111052862 1056739580 /nfs/dbraw/zinc/73/95/80/1056739580.db2.gz CNAIDYXRNLOYTH-JOCHJYFZSA-N 1 1 345.490 4.285 20 30 EIEDMO C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000111217665 1056774450 /nfs/dbraw/zinc/77/44/50/1056774450.db2.gz CWWWJFWKRJUEON-OLZOCXBDSA-N 1 1 325.378 4.109 20 30 EIEDMO CC(C)C[N@H+](Cc1cc(C#N)ccc1F)C[C@H](O)c1ccc(F)cc1 ZINC000741792317 1058373372 /nfs/dbraw/zinc/37/33/72/1058373372.db2.gz ZHJULYZOXMOWPQ-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803463 1058383837 /nfs/dbraw/zinc/38/38/37/1058383837.db2.gz BZENRNQYTPPMOW-VQTJNVASSA-N 1 1 342.483 4.149 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)c1=S ZINC000742151713 1058534533 /nfs/dbraw/zinc/53/45/33/1058534533.db2.gz BIOOHRREWAPZDK-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2cccc(C)c2C)c1=S ZINC000742151713 1058534548 /nfs/dbraw/zinc/53/45/48/1058534548.db2.gz BIOOHRREWAPZDK-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829788787 1058833297 /nfs/dbraw/zinc/83/32/97/1058833297.db2.gz GWDVTZPDJXVPPW-OLZOCXBDSA-N 1 1 339.266 4.056 20 30 EIEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829788787 1058833307 /nfs/dbraw/zinc/83/33/07/1058833307.db2.gz GWDVTZPDJXVPPW-OLZOCXBDSA-N 1 1 339.266 4.056 20 30 EIEDMO C[C@H]1CC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC[N@H+]1C ZINC000743445372 1058999933 /nfs/dbraw/zinc/99/99/33/1058999933.db2.gz RMFBCMXZWXNJBP-VIFPVBQESA-N 1 1 342.390 4.197 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCC(=O)Nc2ccccc2)cc1 ZINC001168982603 1060552889 /nfs/dbraw/zinc/55/28/89/1060552889.db2.gz GTFKBFJORNYQPE-OAQYLSRUSA-N 1 1 349.478 4.450 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2ccnc(OC)c2)cc1 ZINC001169224896 1060702531 /nfs/dbraw/zinc/70/25/31/1060702531.db2.gz KGZJAPICHVCHKT-HXUWFJFHSA-N 1 1 337.467 4.068 20 30 EIEDMO C=C(C)[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471835 1060833359 /nfs/dbraw/zinc/83/33/59/1060833359.db2.gz CXHCAKQQIQFALP-HXUWFJFHSA-N 1 1 330.422 4.304 20 30 EIEDMO C=C(C)[C@@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471835 1060833363 /nfs/dbraw/zinc/83/33/63/1060833363.db2.gz CXHCAKQQIQFALP-HXUWFJFHSA-N 1 1 330.422 4.304 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCCC1(C)C ZINC001169845820 1060996861 /nfs/dbraw/zinc/99/68/61/1060996861.db2.gz WOQTXOKPPLOXEN-SFHVURJKSA-N 1 1 344.890 4.487 20 30 EIEDMO C#CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000766914157 1061061100 /nfs/dbraw/zinc/06/11/00/1061061100.db2.gz AYPRPEICSRXPHN-MRXNPFEDSA-N 1 1 339.266 4.200 20 30 EIEDMO C#CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000766914157 1061061114 /nfs/dbraw/zinc/06/11/14/1061061114.db2.gz AYPRPEICSRXPHN-MRXNPFEDSA-N 1 1 339.266 4.200 20 30 EIEDMO C=C(Br)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000729682724 1032149558 /nfs/dbraw/zinc/14/95/58/1032149558.db2.gz BBRYXOXOTQRJKM-UHFFFAOYSA-N 1 1 342.183 4.439 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340554 1032252024 /nfs/dbraw/zinc/25/20/24/1032252024.db2.gz AQIYOSDAORKXEA-ZDUSSCGKSA-N 1 1 338.436 4.253 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccsc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340554 1032252039 /nfs/dbraw/zinc/25/20/39/1032252039.db2.gz AQIYOSDAORKXEA-ZDUSSCGKSA-N 1 1 338.436 4.253 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)Cc1cccs1 ZINC000532739276 1032292496 /nfs/dbraw/zinc/29/24/96/1032292496.db2.gz LFZBYAFZWLELQN-UHFFFAOYSA-N 1 1 346.521 4.487 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)C[C@H](C)C#N ZINC000120485478 1032330502 /nfs/dbraw/zinc/33/05/02/1032330502.db2.gz SPGKIYMKZBTDGI-CQSZACIVSA-N 1 1 329.469 4.012 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)C[C@H](C)C#N ZINC000120485478 1032330517 /nfs/dbraw/zinc/33/05/17/1032330517.db2.gz SPGKIYMKZBTDGI-CQSZACIVSA-N 1 1 329.469 4.012 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000532927526 1032394248 /nfs/dbraw/zinc/39/42/48/1032394248.db2.gz CMYXLUWKSXMYJG-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000532941978 1032404609 /nfs/dbraw/zinc/40/46/09/1032404609.db2.gz PGFUHMSXHBDBJM-RTBURBONSA-N 1 1 349.478 4.057 20 30 EIEDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941976 1032405233 /nfs/dbraw/zinc/40/52/33/1032405233.db2.gz PGFUHMSXHBDBJM-OALUTQOASA-N 1 1 349.478 4.057 20 30 EIEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000532933577 1032410331 /nfs/dbraw/zinc/41/03/31/1032410331.db2.gz JTYSMAKSHVJYCR-UHFFFAOYSA-N 1 1 349.478 4.272 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245735587 1032449024 /nfs/dbraw/zinc/44/90/24/1032449024.db2.gz KRETZAMPCHUWJQ-YLJYHZDGSA-N 1 1 335.451 4.054 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1C#N ZINC000533079612 1032479899 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COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000378192577 1022503814 /nfs/dbraw/zinc/50/38/14/1022503814.db2.gz ZSQPKTMSQVISLP-KPZWWZAWSA-N 1 1 342.826 4.395 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC001167438523 1022684541 /nfs/dbraw/zinc/68/45/41/1022684541.db2.gz OHDSBGQRXRUMFI-NRFANRHFSA-N 1 1 340.442 4.197 20 30 EIEDMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000177857152 1022703502 /nfs/dbraw/zinc/70/35/02/1022703502.db2.gz MPTJRIPUWHLULL-LBPRGKRZSA-N 1 1 334.341 4.458 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1)C(C)C ZINC000104628039 1022784389 /nfs/dbraw/zinc/78/43/89/1022784389.db2.gz JUAOIQZHMZXKTE-UHFFFAOYSA-N 1 1 343.515 4.319 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000056491370 1022832395 /nfs/dbraw/zinc/83/23/95/1022832395.db2.gz NYCMQQALPAARKE-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO COc1ccc([C@H](CCC#N)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000581230536 1022891124 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4.294 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001143537780 1033089099 /nfs/dbraw/zinc/08/90/99/1033089099.db2.gz CIJXRDMJDFRAED-GFCCVEGCSA-N 1 1 345.258 4.294 20 30 EIEDMO C[C@H](Nc1nc2ccc(Br)cc2[nH]1)c1cccc(C#N)c1 ZINC001167709698 1023061021 /nfs/dbraw/zinc/06/10/21/1023061021.db2.gz BIULDXTVKCAVGZ-JTQLQIEISA-N 1 1 341.212 4.370 20 30 EIEDMO Cc1nc(C(C)C)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000339202239 1023079795 /nfs/dbraw/zinc/07/97/95/1023079795.db2.gz IEKKYGWPNAQBGK-UHFFFAOYSA-N 1 1 337.467 4.034 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001167461231 1023207494 /nfs/dbraw/zinc/20/74/94/1023207494.db2.gz CHXBWRNJFMYHBA-ZDUSSCGKSA-N 1 1 326.843 4.484 20 30 EIEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccco1 ZINC000236622208 1023291142 /nfs/dbraw/zinc/29/11/42/1023291142.db2.gz XIZONLFGQWNNKQ-QFBILLFUSA-N 1 1 342.439 4.074 20 30 EIEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865897 1023326616 /nfs/dbraw/zinc/32/66/16/1023326616.db2.gz CHWCNOZWAFUMII-FUHWJXTLSA-N 1 1 328.419 4.319 20 30 EIEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865896 1023327439 /nfs/dbraw/zinc/32/74/39/1023327439.db2.gz CHWCNOZWAFUMII-AEFFLSMTSA-N 1 1 328.419 4.319 20 30 EIEDMO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000728688389 1023389627 /nfs/dbraw/zinc/38/96/27/1023389627.db2.gz MPYTZWHWASVGKY-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000728688389 1023389636 /nfs/dbraw/zinc/38/96/36/1023389636.db2.gz MPYTZWHWASVGKY-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000549186232 1023448015 /nfs/dbraw/zinc/44/80/15/1023448015.db2.gz IVDASZRXWWAKBL-OAHLLOKOSA-N 1 1 330.472 4.244 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H](C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000472753717 1023501043 /nfs/dbraw/zinc/50/10/43/1023501043.db2.gz SXUVMICDDRLAIA-CQSZACIVSA-N 1 1 328.378 4.369 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000472759270 1023510736 /nfs/dbraw/zinc/51/07/36/1023510736.db2.gz JXLFKPCTMPCLPU-KRWDZBQOSA-N 1 1 331.481 4.086 20 30 EIEDMO C=CCC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000276479788 1023577294 /nfs/dbraw/zinc/57/72/94/1023577294.db2.gz SRRXYFDJNJFHAF-VXGBXAGGSA-N 1 1 331.485 4.091 20 30 EIEDMO C=C(C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001167749219 1023584366 /nfs/dbraw/zinc/58/43/66/1023584366.db2.gz BBAVXOJYJOIZAO-HNNXBMFYSA-N 1 1 327.255 4.363 20 30 EIEDMO C=C(C)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001167749219 1023584373 /nfs/dbraw/zinc/58/43/73/1023584373.db2.gz BBAVXOJYJOIZAO-HNNXBMFYSA-N 1 1 327.255 4.363 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000066796064 1023679730 /nfs/dbraw/zinc/67/97/30/1023679730.db2.gz WSAXEVGYMVPTJQ-SFHVURJKSA-N 1 1 342.512 4.136 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000066796064 1023679731 /nfs/dbraw/zinc/67/97/31/1023679731.db2.gz WSAXEVGYMVPTJQ-SFHVURJKSA-N 1 1 342.512 4.136 20 30 EIEDMO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@H+]2CCCCC#N)CCC1 ZINC000933502637 1023767485 /nfs/dbraw/zinc/76/74/85/1023767485.db2.gz SBDCDWCDFOQPRB-QGZVFWFLSA-N 1 1 349.519 4.230 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000610543045 1023771481 /nfs/dbraw/zinc/77/14/81/1023771481.db2.gz XXFSUYJOGQIJTK-YLQAJVPDSA-N 1 1 345.512 4.076 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178986 1023781205 /nfs/dbraw/zinc/78/12/05/1023781205.db2.gz YAYHZWGQIVREAZ-SPEDKVCISA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178986 1023781210 /nfs/dbraw/zinc/78/12/10/1023781210.db2.gz YAYHZWGQIVREAZ-SPEDKVCISA-N 1 1 333.479 4.262 20 30 EIEDMO Cc1nsc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000341538865 1023839761 /nfs/dbraw/zinc/83/97/61/1023839761.db2.gz XLKNYGWTIIURCI-AWEZNQCLSA-N 1 1 340.496 4.167 20 30 EIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644623 1023933957 /nfs/dbraw/zinc/93/39/57/1023933957.db2.gz CHHLLBLAUHSCAN-LBPRGKRZSA-N 1 1 340.250 4.392 20 30 EIEDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492419 1023955439 /nfs/dbraw/zinc/95/54/39/1023955439.db2.gz SCPPITOWLHDZOG-RTWAWAEBSA-N 1 1 347.462 4.073 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H](C)COC ZINC000661242639 1024011535 /nfs/dbraw/zinc/01/15/35/1024011535.db2.gz DJLHUJSSVGWQHM-QGZVFWFLSA-N 1 1 346.515 4.395 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H](C)COC ZINC000661242639 1024011548 /nfs/dbraw/zinc/01/15/48/1024011548.db2.gz DJLHUJSSVGWQHM-QGZVFWFLSA-N 1 1 346.515 4.395 20 30 EIEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n2)cc1 ZINC000893975236 1033212702 /nfs/dbraw/zinc/21/27/02/1033212702.db2.gz AFWORBNHCNAORS-ZIAGYGMSSA-N 1 1 326.444 4.278 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000661759190 1024479075 /nfs/dbraw/zinc/47/90/75/1024479075.db2.gz CZFWPJJYCVXUIQ-UHFFFAOYSA-N 1 1 339.277 4.064 20 30 EIEDMO CCC[N@@H+](Cc1nn(CC)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000473145276 1024500201 /nfs/dbraw/zinc/50/02/01/1024500201.db2.gz QJBKMBGELNLVNY-UHFFFAOYSA-N 1 1 332.451 4.340 20 30 EIEDMO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341735671 1024535194 /nfs/dbraw/zinc/53/51/94/1024535194.db2.gz WYGXJXIGQNAWDO-HNNXBMFYSA-N 1 1 332.407 4.076 20 30 EIEDMO C=CC[N@@H+](Cc1nn(CC)c2ccccc12)Cc1ccc(OC)cc1 ZINC000473152428 1024574791 /nfs/dbraw/zinc/57/47/91/1024574791.db2.gz YXCOBIABWUAEIW-UHFFFAOYSA-N 1 1 335.451 4.253 20 30 EIEDMO C=CC[N@H+](Cc1nn(CC)c2ccccc12)Cc1ccc(OC)cc1 ZINC000473152428 1024574817 /nfs/dbraw/zinc/57/48/17/1024574817.db2.gz YXCOBIABWUAEIW-UHFFFAOYSA-N 1 1 335.451 4.253 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1)C(C)C ZINC000178404111 1024734902 /nfs/dbraw/zinc/73/49/02/1024734902.db2.gz HGHUUSCPKGMYAP-UHFFFAOYSA-N 1 1 335.451 4.349 20 30 EIEDMO COc1ccc(F)c(F)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001143414197 1024737012 /nfs/dbraw/zinc/73/70/12/1024737012.db2.gz ZGVWKMGKWOFXPK-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000662090960 1024857732 /nfs/dbraw/zinc/85/77/32/1024857732.db2.gz UVZSBTJGBDLGAF-BETUJISGSA-N 1 1 333.229 4.273 20 30 EIEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526776 1024885108 /nfs/dbraw/zinc/88/51/08/1024885108.db2.gz RSMQWEJWKIYECA-DOMZBBRYSA-N 1 1 339.302 4.308 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000093872128 1024897252 /nfs/dbraw/zinc/89/72/52/1024897252.db2.gz WDDLSTRAIDVKAO-PMACEKPBSA-N 1 1 348.446 4.120 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000093872128 1024897253 /nfs/dbraw/zinc/89/72/53/1024897253.db2.gz WDDLSTRAIDVKAO-PMACEKPBSA-N 1 1 348.446 4.120 20 30 EIEDMO C=C1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000341923542 1024996402 /nfs/dbraw/zinc/99/64/02/1024996402.db2.gz YQYQBAXPHHMOLT-UHFFFAOYSA-N 1 1 342.512 4.060 20 30 EIEDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000610830028 1025052668 /nfs/dbraw/zinc/05/26/68/1025052668.db2.gz YOUARGKDKYAIAQ-HOTGVXAUSA-N 1 1 345.450 4.168 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610859457 1025072149 /nfs/dbraw/zinc/07/21/49/1025072149.db2.gz NOPNHCIDSZKCOD-OAQYLSRUSA-N 1 1 334.463 4.451 20 30 EIEDMO N#Cc1cc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)ccn1 ZINC000610955797 1025165017 /nfs/dbraw/zinc/16/50/17/1025165017.db2.gz AEKLBYDGNBUPGX-UHFFFAOYSA-N 1 1 335.357 4.111 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000535871841 1025176424 /nfs/dbraw/zinc/17/64/24/1025176424.db2.gz UQCZEJJOTVDJNR-QFIPXVFZSA-N 1 1 346.474 4.474 20 30 EIEDMO N#Cc1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)ccn1 ZINC000610991565 1025218067 /nfs/dbraw/zinc/21/80/67/1025218067.db2.gz QDRAYMWNOVGCNI-UHFFFAOYSA-N 1 1 327.431 4.198 20 30 EIEDMO C=CCOCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000549824238 1033272264 /nfs/dbraw/zinc/27/22/64/1033272264.db2.gz JXWKXMRECSIUKR-AWEZNQCLSA-N 1 1 342.302 4.120 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000426560472 1025576666 /nfs/dbraw/zinc/57/66/66/1025576666.db2.gz QDODFWHGOOSCKY-LJQANCHMSA-N 1 1 338.451 4.210 20 30 EIEDMO Cc1ccc([C@H]2CSCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000303673187 1026181714 /nfs/dbraw/zinc/18/17/14/1026181714.db2.gz PQGNOHJDKQFEIU-LJQANCHMSA-N 1 1 338.476 4.036 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911643 1026265478 /nfs/dbraw/zinc/26/54/78/1026265478.db2.gz ZRSFGNOHNJGIBP-ZDUSSCGKSA-N 1 1 332.728 4.078 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911643 1026265487 /nfs/dbraw/zinc/26/54/87/1026265487.db2.gz ZRSFGNOHNJGIBP-ZDUSSCGKSA-N 1 1 332.728 4.078 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187724553 1026306604 /nfs/dbraw/zinc/30/66/04/1026306604.db2.gz UYMQXXBUCJWDKH-HZPDHXFCSA-N 1 1 325.481 4.060 20 30 EIEDMO Fc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143443943 1026379047 /nfs/dbraw/zinc/37/90/47/1026379047.db2.gz OEYVTOWNAVEXRO-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143443943 1026379056 /nfs/dbraw/zinc/37/90/56/1026379056.db2.gz OEYVTOWNAVEXRO-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000344475185 1026417274 /nfs/dbraw/zinc/41/72/74/1026417274.db2.gz QAXRBRCPQNDNMV-UHFFFAOYSA-N 1 1 343.515 4.320 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558818 1026444771 /nfs/dbraw/zinc/44/47/71/1026444771.db2.gz HFVNVIQHJLCMKU-LLVKDONJSA-N 1 1 332.753 4.364 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558818 1026444776 /nfs/dbraw/zinc/44/47/76/1026444776.db2.gz HFVNVIQHJLCMKU-LLVKDONJSA-N 1 1 332.753 4.364 20 30 EIEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204184 1026458379 /nfs/dbraw/zinc/45/83/79/1026458379.db2.gz SNTZSBJSXRCDNS-DYESRHJHSA-N 1 1 347.462 4.360 20 30 EIEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204185 1026458849 /nfs/dbraw/zinc/45/88/49/1026458849.db2.gz SNTZSBJSXRCDNS-LAUBAEHRSA-N 1 1 347.462 4.360 20 30 EIEDMO C=CC[C@@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000342507310 1026493329 /nfs/dbraw/zinc/49/33/29/1026493329.db2.gz ZIAUTJUHOQGSTG-GFCCVEGCSA-N 1 1 330.501 4.280 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)c(F)c1 ZINC000657435350 1026659984 /nfs/dbraw/zinc/65/99/84/1026659984.db2.gz CEYSAAIUFJKODT-HNNXBMFYSA-N 1 1 345.315 4.124 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000507167209 1026682214 /nfs/dbraw/zinc/68/22/14/1026682214.db2.gz JWTVYBBTXKSURG-UHFFFAOYSA-N 1 1 333.229 4.324 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)s2)C(C)(C)C)c1 ZINC000507202674 1026691066 /nfs/dbraw/zinc/69/10/66/1026691066.db2.gz KGVLIELRDYGEAM-UHFFFAOYSA-N 1 1 344.480 4.438 20 30 EIEDMO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1cccc(C#N)c1 ZINC000507190041 1026695782 /nfs/dbraw/zinc/69/57/82/1026695782.db2.gz KGFDEXHUMLWDIH-UHFFFAOYSA-N 1 1 336.826 4.029 20 30 EIEDMO C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1cccc(C#N)c1 ZINC000507190041 1026695788 /nfs/dbraw/zinc/69/57/88/1026695788.db2.gz KGFDEXHUMLWDIH-UHFFFAOYSA-N 1 1 336.826 4.029 20 30 EIEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)sc1Br ZINC000507209322 1026701049 /nfs/dbraw/zinc/70/10/49/1026701049.db2.gz IRKATOFSMGTSJW-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@@H](CC)c2nccs2)ccc1OC ZINC000119868275 1026710711 /nfs/dbraw/zinc/71/07/11/1026710711.db2.gz AFJNOBWSTWSMLI-HNNXBMFYSA-N 1 1 332.469 4.348 20 30 EIEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CCC1 ZINC000582502400 1026726787 /nfs/dbraw/zinc/72/67/87/1026726787.db2.gz UHGCSZSHPSTEBI-QGZVFWFLSA-N 1 1 346.540 4.083 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000507715544 1026885219 /nfs/dbraw/zinc/88/52/19/1026885219.db2.gz RJQLSORVVHVALI-KRWDZBQOSA-N 1 1 348.874 4.023 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001167594884 1026914959 /nfs/dbraw/zinc/91/49/59/1026914959.db2.gz VYNTUSNOMIFONF-NRFANRHFSA-N 1 1 344.462 4.307 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000153018851 1026929663 /nfs/dbraw/zinc/92/96/63/1026929663.db2.gz JDPNEEPHSARYDM-CQSZACIVSA-N 1 1 335.561 4.440 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1OC ZINC000342763641 1026966289 /nfs/dbraw/zinc/96/62/89/1026966289.db2.gz CSRCMANFVYGBCO-IBGZPJMESA-N 1 1 336.435 4.107 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccsc3)o2)cc1 ZINC000075626311 1027055441 /nfs/dbraw/zinc/05/54/41/1027055441.db2.gz CHPFQUJGWXUYCT-MRXNPFEDSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccsc3)o2)cc1 ZINC000075626311 1027055451 /nfs/dbraw/zinc/05/54/51/1027055451.db2.gz CHPFQUJGWXUYCT-MRXNPFEDSA-N 1 1 336.420 4.007 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(F)c4C#N)C3)nc2c1 ZINC000428296958 1027185578 /nfs/dbraw/zinc/18/55/78/1027185578.db2.gz ZAGWRFBQWRLGIU-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCCN(Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296958 1027185593 /nfs/dbraw/zinc/18/55/93/1027185593.db2.gz ZAGWRFBQWRLGIU-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296958 1027185599 /nfs/dbraw/zinc/18/55/99/1027185599.db2.gz ZAGWRFBQWRLGIU-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296958 1027185609 /nfs/dbraw/zinc/18/56/09/1027185609.db2.gz ZAGWRFBQWRLGIU-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1Cl ZINC000657585260 1027196637 /nfs/dbraw/zinc/19/66/37/1027196637.db2.gz FAHHBFFJXGQEQM-UHFFFAOYSA-N 1 1 347.842 4.212 20 30 EIEDMO CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000520196860 1027307479 /nfs/dbraw/zinc/30/74/79/1027307479.db2.gz GUDHGXHNVAPPSB-QGZVFWFLSA-N 1 1 341.499 4.028 20 30 EIEDMO C=CC[N@H+](CCCCC#N)Cc1cc(Br)ccc1F ZINC000102400205 1027389020 /nfs/dbraw/zinc/38/90/20/1027389020.db2.gz JCIQUDZQOSYYIY-UHFFFAOYSA-N 1 1 325.225 4.270 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167622802 1027416201 /nfs/dbraw/zinc/41/62/01/1027416201.db2.gz ZFMDRBQPLLUUNI-CYBMUJFWSA-N 1 1 328.362 4.279 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167622802 1027416208 /nfs/dbraw/zinc/41/62/08/1027416208.db2.gz ZFMDRBQPLLUUNI-CYBMUJFWSA-N 1 1 328.362 4.279 20 30 EIEDMO COCc1nc(C[NH2+]Cc2cccc(C#N)c2)c(-c2ccccc2)s1 ZINC000441378952 1027543696 /nfs/dbraw/zinc/54/36/96/1027543696.db2.gz CXHTZBVJIRFTMY-UHFFFAOYSA-N 1 1 349.459 4.118 20 30 EIEDMO CCn1c2ccccc2nc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329154913 1027615719 /nfs/dbraw/zinc/61/57/19/1027615719.db2.gz APPDFJCWNLKBKO-KRWDZBQOSA-N 1 1 326.444 4.051 20 30 EIEDMO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329188260 1027635175 /nfs/dbraw/zinc/63/51/75/1027635175.db2.gz BMOKLOUCCXQFDH-YXJHDRRASA-N 1 1 349.519 4.131 20 30 EIEDMO CCOc1cc2c(cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000329252426 1027670538 /nfs/dbraw/zinc/67/05/38/1027670538.db2.gz VLMOPRPGQSWOLY-HOCLYGCPSA-N 1 1 346.471 4.261 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000329387871 1027761273 /nfs/dbraw/zinc/76/12/73/1027761273.db2.gz RDFWNEQRLNRJCR-HYVNUMGLSA-N 1 1 332.492 4.413 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000474903716 1027774004 /nfs/dbraw/zinc/77/40/04/1027774004.db2.gz AUZNUCXNSWXLLF-SFHVURJKSA-N 1 1 340.511 4.281 20 30 EIEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193076991 1027785012 /nfs/dbraw/zinc/78/50/12/1027785012.db2.gz QHURZEGOHSRXLR-SIKLNZKXSA-N 1 1 348.490 4.122 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328685750 1027794436 /nfs/dbraw/zinc/79/44/36/1027794436.db2.gz XSGBVYKATMHUHI-HZPDHXFCSA-N 1 1 337.508 4.133 20 30 EIEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1coc(C2CCCCC2)n1 ZINC000328758807 1027803594 /nfs/dbraw/zinc/80/35/94/1027803594.db2.gz WGAUOBACIDHXMN-HNNXBMFYSA-N 1 1 331.460 4.044 20 30 EIEDMO CCn1c2ccc(F)cc2nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329478267 1027806371 /nfs/dbraw/zinc/80/63/71/1027806371.db2.gz CGQJBNQLFDGVIS-CQSZACIVSA-N 1 1 332.423 4.048 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000328791679 1027813860 /nfs/dbraw/zinc/81/38/60/1027813860.db2.gz QXWHIVOFBWPABT-AWEZNQCLSA-N 1 1 340.471 4.303 20 30 EIEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000328840613 1027818628 /nfs/dbraw/zinc/81/86/28/1027818628.db2.gz OHQRGAJVTLXGKM-CJNGLKHVSA-N 1 1 349.500 4.477 20 30 EIEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000328840613 1027818639 /nfs/dbraw/zinc/81/86/39/1027818639.db2.gz OHQRGAJVTLXGKM-CJNGLKHVSA-N 1 1 349.500 4.477 20 30 EIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329531006 1027834254 /nfs/dbraw/zinc/83/42/54/1027834254.db2.gz WEISCWBBTITRBV-HNNXBMFYSA-N 1 1 340.471 4.092 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCc2occc2C1 ZINC000329559297 1027847424 /nfs/dbraw/zinc/84/74/24/1027847424.db2.gz LWILQBAYKCCEIK-AWEZNQCLSA-N 1 1 335.407 4.253 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCc2occc2C1 ZINC000329559297 1027847429 /nfs/dbraw/zinc/84/74/29/1027847429.db2.gz LWILQBAYKCCEIK-AWEZNQCLSA-N 1 1 335.407 4.253 20 30 EIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000444591422 1027878608 /nfs/dbraw/zinc/87/86/08/1027878608.db2.gz NNYHAUUJWMGNBV-QGZVFWFLSA-N 1 1 330.472 4.258 20 30 EIEDMO CSc1nc(C[N@@H+](Cc2ccccc2)C(C)(C)C)ccc1C#N ZINC001141929425 1027971762 /nfs/dbraw/zinc/97/17/62/1027971762.db2.gz VDWHJQGQZFIGID-UHFFFAOYSA-N 1 1 325.481 4.476 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2csc(-c3ncccn3)n2)CCCC1(C)C ZINC000444775903 1028058593 /nfs/dbraw/zinc/05/85/93/1028058593.db2.gz AXUGTQZNEOENHL-HNNXBMFYSA-N 1 1 328.485 4.167 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)ccc1OC(C)C ZINC000428312296 1028068439 /nfs/dbraw/zinc/06/84/39/1028068439.db2.gz FEEHKBWUGVNTCV-CQSZACIVSA-N 1 1 342.414 4.344 20 30 EIEDMO CCCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000523450496 1028103418 /nfs/dbraw/zinc/10/34/18/1028103418.db2.gz YHBULZWNXBOMTR-SFHVURJKSA-N 1 1 349.478 4.038 20 30 EIEDMO Cc1cc(CNCc2ccccc2C[NH+]2CCCCC2)ccc1C#N ZINC000443962785 1028125833 /nfs/dbraw/zinc/12/58/33/1028125833.db2.gz JVHAOLLGXXUQJT-UHFFFAOYSA-N 1 1 333.479 4.142 20 30 EIEDMO N#CCSCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123846012 1028125881 /nfs/dbraw/zinc/12/58/81/1028125881.db2.gz LBVRJVOHYMKUDK-RBUKOAKNSA-N 1 1 332.513 4.002 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329871249 1028145910 /nfs/dbraw/zinc/14/59/10/1028145910.db2.gz CGUPYJJEKFSYIU-KSSFIOAISA-N 1 1 346.519 4.371 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000524146459 1028705974 /nfs/dbraw/zinc/70/59/74/1028705974.db2.gz PWRNTNRVYMLOCS-UHFFFAOYSA-N 1 1 339.414 4.182 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)c1C ZINC000444035873 1028751930 /nfs/dbraw/zinc/75/19/30/1028751930.db2.gz BJYLSFQWVFUKBZ-MJGOQNOKSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccccc1 ZINC000027776262 1028791955 /nfs/dbraw/zinc/79/19/55/1028791955.db2.gz JPHNGFFRMDPPCU-INIZCTEOSA-N 1 1 342.870 4.205 20 30 EIEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccccc1 ZINC000027776262 1028791975 /nfs/dbraw/zinc/79/19/75/1028791975.db2.gz JPHNGFFRMDPPCU-INIZCTEOSA-N 1 1 342.870 4.205 20 30 EIEDMO Cc1ccc(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000346855442 1028794903 /nfs/dbraw/zinc/79/49/03/1028794903.db2.gz VFIPKXLRVDDABM-INIZCTEOSA-N 1 1 334.467 4.106 20 30 EIEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000728569737 1028867134 /nfs/dbraw/zinc/86/71/34/1028867134.db2.gz KUCIVRLGIFPYSG-WIYYLYMNSA-N 1 1 338.426 4.297 20 30 EIEDMO CCC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343318615 1028931128 /nfs/dbraw/zinc/93/11/28/1028931128.db2.gz JRIUVMTXYSPKJY-LJQANCHMSA-N 1 1 349.478 4.234 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000522836485 1028987044 /nfs/dbraw/zinc/98/70/44/1028987044.db2.gz BXDWFGHRUCANJP-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000522836485 1028987063 /nfs/dbraw/zinc/98/70/63/1028987063.db2.gz BXDWFGHRUCANJP-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ncccc2C(F)(F)F)C2CC2)cc1 ZINC000349913568 1029004827 /nfs/dbraw/zinc/00/48/27/1029004827.db2.gz LTYBOPNLQRGKKF-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ncccc2C(F)(F)F)C2CC2)cc1 ZINC000349913568 1029004841 /nfs/dbraw/zinc/00/48/41/1029004841.db2.gz LTYBOPNLQRGKKF-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H](C)COC ZINC000661242638 1029210988 /nfs/dbraw/zinc/21/09/88/1029210988.db2.gz DJLHUJSSVGWQHM-KRWDZBQOSA-N 1 1 346.515 4.395 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H](C)COC ZINC000661242638 1029211008 /nfs/dbraw/zinc/21/10/08/1029211008.db2.gz DJLHUJSSVGWQHM-KRWDZBQOSA-N 1 1 346.515 4.395 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cc(C#N)cs1 ZINC000343445838 1029264114 /nfs/dbraw/zinc/26/41/14/1029264114.db2.gz NSAIMOPCCFDGRU-INIZCTEOSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cc(C#N)cs1 ZINC000343445838 1029264124 /nfs/dbraw/zinc/26/41/24/1029264124.db2.gz NSAIMOPCCFDGRU-INIZCTEOSA-N 1 1 339.508 4.284 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1Cl ZINC000052803288 1029612340 /nfs/dbraw/zinc/61/23/40/1029612340.db2.gz PEFSKSJGBDZWPA-MRXNPFEDSA-N 1 1 345.855 4.049 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1Cl ZINC000052803288 1029612346 /nfs/dbraw/zinc/61/23/46/1029612346.db2.gz PEFSKSJGBDZWPA-MRXNPFEDSA-N 1 1 345.855 4.049 20 30 EIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584200946 1029673312 /nfs/dbraw/zinc/67/33/12/1029673312.db2.gz WNTWNRATFAMDCJ-UHFFFAOYSA-N 1 1 333.863 4.218 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000179071781 1029684000 /nfs/dbraw/zinc/68/40/00/1029684000.db2.gz QSRAOXKYSCXYIO-ZDUSSCGKSA-N 1 1 334.341 4.350 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncc(C#N)cc2Cl)cc1 ZINC000080914815 1029757449 /nfs/dbraw/zinc/75/74/49/1029757449.db2.gz NHZATUCNLUKEKR-LBPRGKRZSA-N 1 1 337.814 4.274 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000441222237 1029898920 /nfs/dbraw/zinc/89/89/20/1029898920.db2.gz BBHJBBDIZTUICZ-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000441222237 1029898921 /nfs/dbraw/zinc/89/89/21/1029898921.db2.gz BBHJBBDIZTUICZ-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO N#CC1(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CCC1 ZINC000450708650 1029927879 /nfs/dbraw/zinc/92/78/79/1029927879.db2.gz AKZBSXMXTKUFGY-SFHVURJKSA-N 1 1 325.843 4.302 20 30 EIEDMO CC#CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391938 1030058438 /nfs/dbraw/zinc/05/84/38/1030058438.db2.gz ATGCEJSVCBKMFD-HNNXBMFYSA-N 1 1 326.465 4.021 20 30 EIEDMO Cn1cc(C[NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)cc1C#N ZINC000190867553 1030162571 /nfs/dbraw/zinc/16/25/71/1030162571.db2.gz ACFBSRPLTHTDFJ-SFHVURJKSA-N 1 1 341.867 4.491 20 30 EIEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000480525447 1030168908 /nfs/dbraw/zinc/16/89/08/1030168908.db2.gz IQQXPCPICCLNFP-KURKYZTESA-N 1 1 332.875 4.237 20 30 EIEDMO C[N@@H+](CCOc1ccccc1F)Cc1cccc(OCCCC#N)c1 ZINC000121516992 1030208565 /nfs/dbraw/zinc/20/85/65/1030208565.db2.gz QOYAUBFTGOUFDE-UHFFFAOYSA-N 1 1 342.414 4.019 20 30 EIEDMO C=CCC1(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CCCCC1 ZINC000451235159 1030339886 /nfs/dbraw/zinc/33/98/86/1030339886.db2.gz NRPWHDOHFXAOAZ-UHFFFAOYSA-N 1 1 342.483 4.286 20 30 EIEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845699 1030358634 /nfs/dbraw/zinc/35/86/34/1030358634.db2.gz UDXGKXVMSDYEFQ-UWJYYQICSA-N 1 1 334.463 4.351 20 30 EIEDMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000451286203 1030371342 /nfs/dbraw/zinc/37/13/42/1030371342.db2.gz CMKJCIDOICSDPY-IBGZPJMESA-N 1 1 345.512 4.141 20 30 EIEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926555 1030522431 /nfs/dbraw/zinc/52/24/31/1030522431.db2.gz ZJFJLWBSXZSVBO-LJQANCHMSA-N 1 1 340.496 4.139 20 30 EIEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926555 1030522444 /nfs/dbraw/zinc/52/24/44/1030522444.db2.gz ZJFJLWBSXZSVBO-LJQANCHMSA-N 1 1 340.496 4.139 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000685604402 1030557624 /nfs/dbraw/zinc/55/76/24/1030557624.db2.gz LRJIPLAZRQZAMY-QZTJIDSGSA-N 1 1 349.396 4.090 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000685604402 1030557640 /nfs/dbraw/zinc/55/76/40/1030557640.db2.gz LRJIPLAZRQZAMY-QZTJIDSGSA-N 1 1 349.396 4.090 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000527243020 1030572455 /nfs/dbraw/zinc/57/24/55/1030572455.db2.gz CVABFJFWWFPOGD-LJQANCHMSA-N 1 1 338.426 4.498 20 30 EIEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000451607897 1030595574 /nfs/dbraw/zinc/59/55/74/1030595574.db2.gz QYBBKAHVUQLZEQ-WQVCFCJDSA-N 1 1 332.831 4.298 20 30 EIEDMO COc1cccc(Cl)c1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000191634053 1030632244 /nfs/dbraw/zinc/63/22/44/1030632244.db2.gz CULCXBGQPHFKKH-UHFFFAOYSA-N 1 1 344.842 4.321 20 30 EIEDMO CC[N@H+](Cc1nccn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000191240537 1030810587 /nfs/dbraw/zinc/81/05/87/1030810587.db2.gz NGZHFYRYSFTNPY-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO CC[N@@H+](Cc1nccn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000191240537 1030810590 /nfs/dbraw/zinc/81/05/90/1030810590.db2.gz NGZHFYRYSFTNPY-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451559 1030815130 /nfs/dbraw/zinc/81/51/30/1030815130.db2.gz UOURPGWVSKMFKN-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451559 1030815133 /nfs/dbraw/zinc/81/51/33/1030815133.db2.gz UOURPGWVSKMFKN-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451559 1030815138 /nfs/dbraw/zinc/81/51/38/1030815138.db2.gz UOURPGWVSKMFKN-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452004153 1030818676 /nfs/dbraw/zinc/81/86/76/1030818676.db2.gz HHVXECMDOKMFGX-CABCVRRESA-N 1 1 345.512 4.282 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1C(F)(F)F ZINC000282022110 1030881787 /nfs/dbraw/zinc/88/17/87/1030881787.db2.gz PILDWHMAXNAXLT-UHFFFAOYSA-N 1 1 340.389 4.238 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1C#N ZINC000103475025 1030899076 /nfs/dbraw/zinc/89/90/76/1030899076.db2.gz QSUCDYQMGIILNL-UHFFFAOYSA-N 1 1 330.435 4.013 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCC1(C#N)CCCCC1 ZINC001168194010 1031033679 /nfs/dbraw/zinc/03/36/79/1031033679.db2.gz XFDJFFGAPFLYRB-WOJBJXKFSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@H](C)CN1Cc1ccccc1 ZINC001168194010 1031033699 /nfs/dbraw/zinc/03/36/99/1031033699.db2.gz XFDJFFGAPFLYRB-WOJBJXKFSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CN1Cc1ccccc1 ZINC001168194010 1031033715 /nfs/dbraw/zinc/03/37/15/1031033715.db2.gz XFDJFFGAPFLYRB-WOJBJXKFSA-N 1 1 339.527 4.445 20 30 EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)/C=C\c3ccccc3C#N)c2C1 ZINC000255774310 1031140696 /nfs/dbraw/zinc/14/06/96/1031140696.db2.gz PBILSIQZVVOFQR-KHPPLWFESA-N 1 1 345.446 4.182 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000532489763 1031214435 /nfs/dbraw/zinc/21/44/35/1031214435.db2.gz IVJOFFBXDYOBGZ-UHFFFAOYSA-N 1 1 342.446 4.426 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](CCSC)C(C)(C)O)cc1 ZINC001168217132 1031322744 /nfs/dbraw/zinc/32/27/44/1031322744.db2.gz NJJQRWZRQRMBFF-RTBURBONSA-N 1 1 348.556 4.314 20 30 EIEDMO N#CCC[N@@H+](Cc1ccnc2c(Br)cccc12)CC1CC1 ZINC000449023265 1031385517 /nfs/dbraw/zinc/38/55/17/1031385517.db2.gz PBWWRBSRQVYALZ-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CCC[N@H+](Cc1ccnc2c(Br)cccc12)CC1CC1 ZINC000449023265 1031385536 /nfs/dbraw/zinc/38/55/36/1031385536.db2.gz PBWWRBSRQVYALZ-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000449073713 1031428817 /nfs/dbraw/zinc/42/88/17/1031428817.db2.gz NSJSLHVQQWPWIB-MOPGFXCFSA-N 1 1 347.506 4.304 20 30 EIEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000612405579 1031488277 /nfs/dbraw/zinc/48/82/77/1031488277.db2.gz AMHWRXHCUURPSK-NRFANRHFSA-N 1 1 330.435 4.151 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000612405579 1031488305 /nfs/dbraw/zinc/48/83/05/1031488305.db2.gz AMHWRXHCUURPSK-NRFANRHFSA-N 1 1 330.435 4.151 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449232972 1031564557 /nfs/dbraw/zinc/56/45/57/1031564557.db2.gz WSBOOKVIBMDTLR-UHFFFAOYSA-N 1 1 325.481 4.054 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000449251379 1031566771 /nfs/dbraw/zinc/56/67/71/1031566771.db2.gz RKWKQFNRFFCENE-SFHVURJKSA-N 1 1 348.393 4.185 20 30 EIEDMO Fc1ccc(C#CC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548935638 1031586878 /nfs/dbraw/zinc/58/68/78/1031586878.db2.gz QHKSDJIKDOUZJK-MRXNPFEDSA-N 1 1 325.349 4.232 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548935638 1031586891 /nfs/dbraw/zinc/58/68/91/1031586891.db2.gz QHKSDJIKDOUZJK-MRXNPFEDSA-N 1 1 325.349 4.232 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000065959519 1031620856 /nfs/dbraw/zinc/62/08/56/1031620856.db2.gz LJPRGKWIYYLLDZ-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000065959519 1031620866 /nfs/dbraw/zinc/62/08/66/1031620866.db2.gz LJPRGKWIYYLLDZ-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000126185829 1031635024 /nfs/dbraw/zinc/63/50/24/1031635024.db2.gz DTSKDLAIIICZOP-UHFFFAOYSA-N 1 1 335.432 4.117 20 30 EIEDMO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365429455 1031670526 /nfs/dbraw/zinc/67/05/26/1031670526.db2.gz SGAWJSQRBPMTMB-MRXNPFEDSA-N 1 1 330.790 4.273 20 30 EIEDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000459289077 1031693071 /nfs/dbraw/zinc/69/30/71/1031693071.db2.gz ANFONQYYFKGTHC-UHFFFAOYSA-N 1 1 336.464 4.085 20 30 EIEDMO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000459289077 1031693082 /nfs/dbraw/zinc/69/30/82/1031693082.db2.gz ANFONQYYFKGTHC-UHFFFAOYSA-N 1 1 336.464 4.085 20 30 EIEDMO CC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](C)C#N ZINC000459327330 1031820005 /nfs/dbraw/zinc/82/00/05/1031820005.db2.gz NTTLCZQFGOXJBD-INIZCTEOSA-N 1 1 337.471 4.042 20 30 EIEDMO CC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](C)C#N ZINC000459327330 1031820007 /nfs/dbraw/zinc/82/00/07/1031820007.db2.gz NTTLCZQFGOXJBD-INIZCTEOSA-N 1 1 337.471 4.042 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C[C@H](C)C#N ZINC000509770930 1033398115 /nfs/dbraw/zinc/39/81/15/1033398115.db2.gz CFVCRJOEKRVAHW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C[C@H](C)C#N ZINC000509770930 1033398125 /nfs/dbraw/zinc/39/81/25/1033398125.db2.gz CFVCRJOEKRVAHW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160037 1033529963 /nfs/dbraw/zinc/52/99/63/1033529963.db2.gz PHYIWGYXPLVSMT-UHFFFAOYSA-N 1 1 328.481 4.198 20 30 EIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246417230 1033545784 /nfs/dbraw/zinc/54/57/84/1033545784.db2.gz BVTAJIDFSPGGNL-MSOLQXFVSA-N 1 1 349.482 4.240 20 30 EIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246417230 1033545791 /nfs/dbraw/zinc/54/57/91/1033545791.db2.gz BVTAJIDFSPGGNL-MSOLQXFVSA-N 1 1 349.482 4.240 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168842 1033557085 /nfs/dbraw/zinc/55/70/85/1033557085.db2.gz XLAPPNNNVDASPX-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168842 1033557096 /nfs/dbraw/zinc/55/70/96/1033557096.db2.gz XLAPPNNNVDASPX-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637603 1033580427 /nfs/dbraw/zinc/58/04/27/1033580427.db2.gz XPGSEKHBMPAQED-BXWFABGCSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637603 1033580445 /nfs/dbraw/zinc/58/04/45/1033580445.db2.gz XPGSEKHBMPAQED-BXWFABGCSA-N 1 1 337.442 4.011 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000614177664 1033589479 /nfs/dbraw/zinc/58/94/79/1033589479.db2.gz QSVRPONDHOXEER-QHCPKHFHSA-N 1 1 346.474 4.162 20 30 EIEDMO CN(c1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1)C1CC1 ZINC000433035440 1033690867 /nfs/dbraw/zinc/69/08/67/1033690867.db2.gz MARWQKQRWHJMDC-GOSISDBHSA-N 1 1 340.496 4.266 20 30 EIEDMO CCCOc1cccc(F)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211783435 1033897114 /nfs/dbraw/zinc/89/71/14/1033897114.db2.gz NFORWSSXHIYOAH-UHFFFAOYSA-N 1 1 345.443 4.279 20 30 EIEDMO CCCOc1cccc(F)c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211783435 1033897122 /nfs/dbraw/zinc/89/71/22/1033897122.db2.gz NFORWSSXHIYOAH-UHFFFAOYSA-N 1 1 345.443 4.279 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000411481215 1033934661 /nfs/dbraw/zinc/93/46/61/1033934661.db2.gz ARGJZKGSYNNKQI-INIZCTEOSA-N 1 1 337.423 4.430 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000411481215 1033934672 /nfs/dbraw/zinc/93/46/72/1033934672.db2.gz ARGJZKGSYNNKQI-INIZCTEOSA-N 1 1 337.423 4.430 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411551277 1033986338 /nfs/dbraw/zinc/98/63/38/1033986338.db2.gz MGYBGVRRIAPOOW-TZIWHRDSSA-N 1 1 339.527 4.351 20 30 EIEDMO Cc1cccc([C@@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000433208073 1034058846 /nfs/dbraw/zinc/05/88/46/1034058846.db2.gz SWFASSPTKLRLTC-LJQANCHMSA-N 1 1 333.479 4.136 20 30 EIEDMO CC1(C)C[N@H+](CCCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314829 1034210170 /nfs/dbraw/zinc/21/01/70/1034210170.db2.gz WVLDYYRANRPTSO-HNNXBMFYSA-N 1 1 326.362 4.161 20 30 EIEDMO CC1(C)C[N@@H+](CCCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314829 1034210191 /nfs/dbraw/zinc/21/01/91/1034210191.db2.gz WVLDYYRANRPTSO-HNNXBMFYSA-N 1 1 326.362 4.161 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000614405740 1034554251 /nfs/dbraw/zinc/55/42/51/1034554251.db2.gz GDIKFTKMZDAVFT-JOCHJYFZSA-N 1 1 333.479 4.184 20 30 EIEDMO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)no1 ZINC000614417760 1034582743 /nfs/dbraw/zinc/58/27/43/1034582743.db2.gz GEYOSOQSOGHBSV-IBGZPJMESA-N 1 1 339.439 4.029 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)o1)CC1(c2ccc(Br)cc2)CC1 ZINC000093612851 1034959398 /nfs/dbraw/zinc/95/93/98/1034959398.db2.gz AYVQCLCYZJSZMC-UHFFFAOYSA-N 1 1 345.240 4.077 20 30 EIEDMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000183146802 1035266005 /nfs/dbraw/zinc/26/60/05/1035266005.db2.gz SAQNJOVMMLCCDO-AWEZNQCLSA-N 1 1 334.398 4.042 20 30 EIEDMO C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1(C#N)CC1 ZINC000501542759 1035462617 /nfs/dbraw/zinc/46/26/17/1035462617.db2.gz VSXUDFLSRZOSNV-UHFFFAOYSA-N 1 1 340.446 4.164 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1Br ZINC000513718010 1035486100 /nfs/dbraw/zinc/48/61/00/1035486100.db2.gz VBMGSJNRHXJJBZ-UHFFFAOYSA-N 1 1 339.277 4.219 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1Br ZINC000513718010 1035486105 /nfs/dbraw/zinc/48/61/05/1035486105.db2.gz VBMGSJNRHXJJBZ-UHFFFAOYSA-N 1 1 339.277 4.219 20 30 EIEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1OC(F)F ZINC000594993777 1035521365 /nfs/dbraw/zinc/52/13/65/1035521365.db2.gz GUFBKKZNQKRUQN-UHFFFAOYSA-N 1 1 338.398 4.250 20 30 EIEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595307147 1035639231 /nfs/dbraw/zinc/63/92/31/1035639231.db2.gz SPDOLGDRYUYOLT-QFIPXVFZSA-N 1 1 333.479 4.095 20 30 EIEDMO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000595426610 1035675681 /nfs/dbraw/zinc/67/56/81/1035675681.db2.gz QGKZBUGMDMJJLT-HUUCEWRRSA-N 1 1 345.450 4.318 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000593014161 1035679318 /nfs/dbraw/zinc/67/93/18/1035679318.db2.gz VJMVTOYEZNXWIT-UHFFFAOYSA-N 1 1 339.370 4.018 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593023029 1035691633 /nfs/dbraw/zinc/69/16/33/1035691633.db2.gz NOSSLAKSCDUPNY-MRXNPFEDSA-N 1 1 342.446 4.219 20 30 EIEDMO CC(C)n1cc(C2=CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)nn1 ZINC000595521866 1035693511 /nfs/dbraw/zinc/69/35/11/1035693511.db2.gz FYNGRYJWKZHBRY-UHFFFAOYSA-N 1 1 341.503 4.202 20 30 EIEDMO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000485124237 1035718621 /nfs/dbraw/zinc/71/86/21/1035718621.db2.gz ASMHJRGGCDLTPZ-GOSISDBHSA-N 1 1 326.484 4.292 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000046934386 1035728356 /nfs/dbraw/zinc/72/83/56/1035728356.db2.gz QJUKBSPOFAAUFP-MRXNPFEDSA-N 1 1 333.435 4.042 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000046934387 1035729535 /nfs/dbraw/zinc/72/95/35/1035729535.db2.gz QJUKBSPOFAAUFP-INIZCTEOSA-N 1 1 333.435 4.042 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609180 1035750557 /nfs/dbraw/zinc/75/05/57/1035750557.db2.gz HQMJNMXPHVEPFJ-KRWDZBQOSA-N 1 1 333.435 4.065 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595672833 1035759474 /nfs/dbraw/zinc/75/94/74/1035759474.db2.gz CABUUNNRUPFIPH-FQEVSTJZSA-N 1 1 349.434 4.097 20 30 EIEDMO N#CC1(CCC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCOCC1 ZINC000595678311 1035763268 /nfs/dbraw/zinc/76/32/68/1035763268.db2.gz XWZMAYZSCUROFR-SFHVURJKSA-N 1 1 328.456 4.297 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094384 1035821900 /nfs/dbraw/zinc/82/19/00/1035821900.db2.gz LVBOIWBBOGGPHD-DENIHFKCSA-N 1 1 337.511 4.037 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094384 1035821903 /nfs/dbraw/zinc/82/19/03/1035821903.db2.gz LVBOIWBBOGGPHD-DENIHFKCSA-N 1 1 337.511 4.037 20 30 EIEDMO C=CC[N@@H+](Cc1cc(C)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211251 1035834312 /nfs/dbraw/zinc/83/43/12/1035834312.db2.gz MMKTUMUMBOJXFH-SFHVURJKSA-N 1 1 347.466 4.028 20 30 EIEDMO C=CC[N@@H+](CCOC(C)C)Cc1cc(Br)ccc1F ZINC000502174361 1035879677 /nfs/dbraw/zinc/87/96/77/1035879677.db2.gz XPNGTLDVZGUJCJ-UHFFFAOYSA-N 1 1 330.241 4.001 20 30 EIEDMO C=CC[N@H+](CCOC(C)C)Cc1cc(Br)ccc1F ZINC000502174361 1035879683 /nfs/dbraw/zinc/87/96/83/1035879683.db2.gz XPNGTLDVZGUJCJ-UHFFFAOYSA-N 1 1 330.241 4.001 20 30 EIEDMO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000571074113 1035936143 /nfs/dbraw/zinc/93/61/43/1035936143.db2.gz HJPWNUVVLHRVKY-PZJWPPBQSA-N 1 1 347.462 4.457 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccsc1 ZINC000421003239 1035939380 /nfs/dbraw/zinc/93/93/80/1035939380.db2.gz GVVTYMOYFHKLOI-ZDUSSCGKSA-N 1 1 347.509 4.481 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421001807 1035943171 /nfs/dbraw/zinc/94/31/71/1035943171.db2.gz GBRIYYZPALTQNS-AWEZNQCLSA-N 1 1 327.453 4.030 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421001807 1035943195 /nfs/dbraw/zinc/94/31/95/1035943195.db2.gz GBRIYYZPALTQNS-AWEZNQCLSA-N 1 1 327.453 4.030 20 30 EIEDMO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980488 1036061868 /nfs/dbraw/zinc/06/18/68/1036061868.db2.gz OZPMMCXXDXHOME-UHFFFAOYSA-N 1 1 333.460 4.483 20 30 EIEDMO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980488 1036061891 /nfs/dbraw/zinc/06/18/91/1036061891.db2.gz OZPMMCXXDXHOME-UHFFFAOYSA-N 1 1 333.460 4.483 20 30 EIEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980524 1036061991 /nfs/dbraw/zinc/06/19/91/1036061991.db2.gz PTXDASBDAPGOSQ-UHFFFAOYSA-N 1 1 342.446 4.059 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)CO1 ZINC000597013062 1036070500 /nfs/dbraw/zinc/07/05/00/1036070500.db2.gz BBKNHJNQQHCXCN-DYESRHJHSA-N 1 1 332.447 4.204 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)CO1 ZINC000597013062 1036070524 /nfs/dbraw/zinc/07/05/24/1036070524.db2.gz BBKNHJNQQHCXCN-DYESRHJHSA-N 1 1 332.447 4.204 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)cc2)CC1 ZINC000596995536 1036073646 /nfs/dbraw/zinc/07/36/46/1036073646.db2.gz LVCPQKAYZMRKKR-UHFFFAOYSA-N 1 1 332.447 4.360 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000597021725 1036074777 /nfs/dbraw/zinc/07/47/77/1036074777.db2.gz RHOYVYPSPUAZLH-DNVCBOLYSA-N 1 1 338.476 4.265 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000597021725 1036074797 /nfs/dbraw/zinc/07/47/97/1036074797.db2.gz RHOYVYPSPUAZLH-DNVCBOLYSA-N 1 1 338.476 4.265 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000597021726 1036076233 /nfs/dbraw/zinc/07/62/33/1036076233.db2.gz RHOYVYPSPUAZLH-HNAYVOBHSA-N 1 1 338.476 4.265 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000597021726 1036076255 /nfs/dbraw/zinc/07/62/55/1036076255.db2.gz RHOYVYPSPUAZLH-HNAYVOBHSA-N 1 1 338.476 4.265 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000597079542 1036097083 /nfs/dbraw/zinc/09/70/83/1036097083.db2.gz CRYIRRAMKORXRT-UHFFFAOYSA-N 1 1 325.387 4.139 20 30 EIEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000470956032 1036107584 /nfs/dbraw/zinc/10/75/84/1036107584.db2.gz QTZVWUIDMKPAKG-SMDDNHRTSA-N 1 1 335.291 4.330 20 30 EIEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000470956032 1036107602 /nfs/dbraw/zinc/10/76/02/1036107602.db2.gz QTZVWUIDMKPAKG-SMDDNHRTSA-N 1 1 335.291 4.330 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597229156 1036163205 /nfs/dbraw/zinc/16/32/05/1036163205.db2.gz JJMGVHYMLMQTJY-KRWDZBQOSA-N 1 1 327.409 4.059 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597229156 1036163214 /nfs/dbraw/zinc/16/32/14/1036163214.db2.gz JJMGVHYMLMQTJY-KRWDZBQOSA-N 1 1 327.409 4.059 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540250 1036491079 /nfs/dbraw/zinc/49/10/79/1036491079.db2.gz YAWIOGQOJVJFGR-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540250 1036491086 /nfs/dbraw/zinc/49/10/86/1036491086.db2.gz YAWIOGQOJVJFGR-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO N#CCC1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000602798554 1036626026 /nfs/dbraw/zinc/62/60/26/1036626026.db2.gz QMRNHMYNAJAYHH-NSHDSACASA-N 1 1 329.391 4.035 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000060892799 1036629458 /nfs/dbraw/zinc/62/94/58/1036629458.db2.gz OHROBCBLGTVOCH-LJQANCHMSA-N 1 1 339.483 4.322 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907676563 1036692027 /nfs/dbraw/zinc/69/20/27/1036692027.db2.gz KKGZGCUVPBCVPA-PKOBYXMFSA-N 1 1 326.484 4.494 20 30 EIEDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602974926 1036693285 /nfs/dbraw/zinc/69/32/85/1036693285.db2.gz VYNAIYBETOTXBB-ICSRJNTNSA-N 1 1 333.435 4.063 20 30 EIEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602974926 1036693297 /nfs/dbraw/zinc/69/32/97/1036693297.db2.gz VYNAIYBETOTXBB-ICSRJNTNSA-N 1 1 333.435 4.063 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)s1 ZINC000589195103 1036706051 /nfs/dbraw/zinc/70/60/51/1036706051.db2.gz LHSNIDVSONOKFL-UHFFFAOYSA-N 1 1 333.460 4.260 20 30 EIEDMO N#Cc1csc(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)n1 ZINC000589315955 1036743885 /nfs/dbraw/zinc/74/38/85/1036743885.db2.gz UGGNPSMQRYDZER-UHFFFAOYSA-N 1 1 337.473 4.456 20 30 EIEDMO Cc1cc(NCc2cc(C#N)cs2)c[nH+]c1N1CCCC[C@@H]1C ZINC000502870170 1036754688 /nfs/dbraw/zinc/75/46/88/1036754688.db2.gz KAINCZUPNHJBRX-AWEZNQCLSA-N 1 1 326.469 4.314 20 30 EIEDMO CCOc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(F)cc1OC ZINC000598971517 1036834761 /nfs/dbraw/zinc/83/47/61/1036834761.db2.gz VCXZEYYFMJICFA-SFHVURJKSA-N 1 1 342.414 4.368 20 30 EIEDMO CC(C)([NH2+]Cc1ccsc1Br)c1cccc(C#N)c1 ZINC000598980492 1036839300 /nfs/dbraw/zinc/83/93/00/1036839300.db2.gz HMVNRFWJSSPFOF-UHFFFAOYSA-N 1 1 335.270 4.407 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000589597062 1036852404 /nfs/dbraw/zinc/85/24/04/1036852404.db2.gz MRWWMKGGLNBXJG-UHFFFAOYSA-N 1 1 336.479 4.261 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)c(OC)c1 ZINC000486792794 1036856051 /nfs/dbraw/zinc/85/60/51/1036856051.db2.gz HAJRNNNJTCPTAH-FQEVSTJZSA-N 1 1 336.435 4.221 20 30 EIEDMO C[C@@H]1C[C@@H]1c1ccc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593688326 1036885919 /nfs/dbraw/zinc/88/59/19/1036885919.db2.gz OOULUXPNCBJCFB-IERDGZPVSA-N 1 1 349.478 4.029 20 30 EIEDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC001168414788 1036892266 /nfs/dbraw/zinc/89/22/66/1036892266.db2.gz UAYNYWVVRKIGAS-QGZVFWFLSA-N 1 1 325.481 4.029 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(NCc3cscc3Cl)CC2)c1 ZINC000593692299 1036896593 /nfs/dbraw/zinc/89/65/93/1036896593.db2.gz ADUWFYRPZBLSER-UHFFFAOYSA-N 1 1 345.899 4.027 20 30 EIEDMO CC1(C)CCC(C)(C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000599538570 1037066805 /nfs/dbraw/zinc/06/68/05/1037066805.db2.gz PGBZPPPZJRHFHN-UHFFFAOYSA-N 1 1 345.512 4.141 20 30 EIEDMO CCOCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000603926140 1037091229 /nfs/dbraw/zinc/09/12/29/1037091229.db2.gz HXDRXBCUUFFBOT-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000137213546 1037112822 /nfs/dbraw/zinc/11/28/22/1037112822.db2.gz FBPGKMIOHAKFQI-UHFFFAOYSA-N 1 1 340.492 4.344 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000137213546 1037112834 /nfs/dbraw/zinc/11/28/34/1037112834.db2.gz FBPGKMIOHAKFQI-UHFFFAOYSA-N 1 1 340.492 4.344 20 30 EIEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676349 1037118589 /nfs/dbraw/zinc/11/85/89/1037118589.db2.gz AZSRRTXLMUEUDY-OAHLLOKOSA-N 1 1 335.407 4.089 20 30 EIEDMO C[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646852 1037131123 /nfs/dbraw/zinc/13/11/23/1037131123.db2.gz LWZIPIJRBLLTMB-OALUTQOASA-N 1 1 347.506 4.304 20 30 EIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccc2ccccc2c1 ZINC000272509319 1037208025 /nfs/dbraw/zinc/20/80/25/1037208025.db2.gz FUTDAFYYNQKTKL-IRXDYDNUSA-N 1 1 349.478 4.031 20 30 EIEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467305369 1037302938 /nfs/dbraw/zinc/30/29/38/1037302938.db2.gz SGFKMOHYFXDNBU-HXUWFJFHSA-N 1 1 342.870 4.054 20 30 EIEDMO CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000604272004 1037323474 /nfs/dbraw/zinc/32/34/74/1037323474.db2.gz ZOEYVXHZSBJBHP-AWEZNQCLSA-N 1 1 338.842 4.442 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000591267753 1037353468 /nfs/dbraw/zinc/35/34/68/1037353468.db2.gz KVPLHTXKDUEQKR-LJQANCHMSA-N 1 1 334.467 4.086 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000488240459 1037445522 /nfs/dbraw/zinc/44/55/22/1037445522.db2.gz GMZRUYQPAHCQDU-KRWDZBQOSA-N 1 1 333.435 4.288 20 30 EIEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413349 1037500697 /nfs/dbraw/zinc/50/06/97/1037500697.db2.gz VOQKNELQJCILPH-CZUORRHYSA-N 1 1 340.389 4.093 20 30 EIEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000061758847 1037529423 /nfs/dbraw/zinc/52/94/23/1037529423.db2.gz KRDNPRWGSGUXPG-UHFFFAOYSA-N 1 1 332.856 4.340 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ccc1C#N ZINC000488440906 1037582636 /nfs/dbraw/zinc/58/26/36/1037582636.db2.gz BWVJOXOWZIDGCP-LJQANCHMSA-N 1 1 336.410 4.101 20 30 EIEDMO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592062641 1037724126 /nfs/dbraw/zinc/72/41/26/1037724126.db2.gz BIDMOOFPRUIJSD-UHFFFAOYSA-N 1 1 330.435 4.123 20 30 EIEDMO CC(C)[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(C(F)(F)F)c1 ZINC000592095410 1037732889 /nfs/dbraw/zinc/73/28/89/1037732889.db2.gz VYKFSRWGTFREDK-KRWDZBQOSA-N 1 1 333.357 4.459 20 30 EIEDMO N#CC1(CCC[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CCOCC1 ZINC000592186706 1037742365 /nfs/dbraw/zinc/74/23/65/1037742365.db2.gz GUJRITHNTNQIGA-FQEVSTJZSA-N 1 1 336.479 4.480 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188411 1037744691 /nfs/dbraw/zinc/74/46/91/1037744691.db2.gz PAHXCUWDDVHJHK-QGZVFWFLSA-N 1 1 325.481 4.174 20 30 EIEDMO C=C[C@H]1CCCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000488839076 1037778804 /nfs/dbraw/zinc/77/88/04/1037778804.db2.gz MJXSAGOFRJDOPH-QFIPXVFZSA-N 1 1 348.490 4.499 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249390474 1037795676 /nfs/dbraw/zinc/79/56/76/1037795676.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000249390474 1037795694 /nfs/dbraw/zinc/79/56/94/1037795694.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000249390474 1037795709 /nfs/dbraw/zinc/79/57/09/1037795709.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249390474 1037795726 /nfs/dbraw/zinc/79/57/26/1037795726.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249390474 1037795744 /nfs/dbraw/zinc/79/57/44/1037795744.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1 ZINC000592987358 1037896551 /nfs/dbraw/zinc/89/65/51/1037896551.db2.gz YVJGZIGXSGWNQE-XLIONFOSSA-N 1 1 334.463 4.012 20 30 EIEDMO N#Cc1ccccc1-c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423020218 1037903906 /nfs/dbraw/zinc/90/39/06/1037903906.db2.gz ZHYYZTOJEKNCDV-XPWALMASSA-N 1 1 345.490 4.236 20 30 EIEDMO C=CCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1-c1cccs1 ZINC000489403027 1038019355 /nfs/dbraw/zinc/01/93/55/1038019355.db2.gz YHMQKDJTNMOHIS-AWEZNQCLSA-N 1 1 348.541 4.159 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000150769866 1038053811 /nfs/dbraw/zinc/05/38/11/1038053811.db2.gz BVZMFOZLRLZTRO-IRXDYDNUSA-N 1 1 342.483 4.003 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCCC1 ZINC000593649435 1038119666 /nfs/dbraw/zinc/11/96/66/1038119666.db2.gz CXEFLBMCIRALSD-UHFFFAOYSA-N 1 1 348.494 4.399 20 30 EIEDMO CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(F)cc1C#N ZINC000489633255 1038181904 /nfs/dbraw/zinc/18/19/04/1038181904.db2.gz JZWDGPRNTUMASJ-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(F)cc1C#N ZINC000489633255 1038181927 /nfs/dbraw/zinc/18/19/27/1038181927.db2.gz JZWDGPRNTUMASJ-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CCCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118066 1038209340 /nfs/dbraw/zinc/20/93/40/1038209340.db2.gz GSTMJVRGUOPUIM-UHFFFAOYSA-N 1 1 348.428 4.038 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000489891018 1038258162 /nfs/dbraw/zinc/25/81/62/1038258162.db2.gz UVCFQBKKSXXIHV-HNNXBMFYSA-N 1 1 345.512 4.284 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3CC3CCCC3)o2)c1 ZINC000594052954 1038295889 /nfs/dbraw/zinc/29/58/89/1038295889.db2.gz KBLFFNSJNUFYEY-SFHVURJKSA-N 1 1 336.439 4.153 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490058785 1038327296 /nfs/dbraw/zinc/32/72/96/1038327296.db2.gz SWFVNEKFZWCIAJ-QGZVFWFLSA-N 1 1 335.451 4.106 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000490064680 1038328929 /nfs/dbraw/zinc/32/89/29/1038328929.db2.gz QJKAWICVIXNMNL-SFHVURJKSA-N 1 1 332.806 4.170 20 30 EIEDMO CCn1c2ccccc2nc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594521203 1038361281 /nfs/dbraw/zinc/36/12/81/1038361281.db2.gz SJKZQZSGDXAZTO-UHFFFAOYSA-N 1 1 330.435 4.097 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3c3ccco3)o2)c1 ZINC000075750092 1038424330 /nfs/dbraw/zinc/42/43/30/1038424330.db2.gz BLOGTZFEWDJWNU-QGZVFWFLSA-N 1 1 348.406 4.319 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCCC[C@@H]3c3ccco3)o2)c1 ZINC000075750092 1038424340 /nfs/dbraw/zinc/42/43/40/1038424340.db2.gz BLOGTZFEWDJWNU-QGZVFWFLSA-N 1 1 348.406 4.319 20 30 EIEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594921411 1038426364 /nfs/dbraw/zinc/42/63/64/1038426364.db2.gz CWJGOFIMPIQDDS-LJQANCHMSA-N 1 1 338.451 4.338 20 30 EIEDMO CCCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000063615873 1038615232 /nfs/dbraw/zinc/61/52/32/1038615232.db2.gz KCVVGXDUDLQLIK-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccc(Cl)c(Cl)c2)nn1 ZINC000424296303 1038770685 /nfs/dbraw/zinc/77/06/85/1038770685.db2.gz OCXLWZWTXWLPFL-INIZCTEOSA-N 1 1 339.270 4.402 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)nn1 ZINC000424294153 1038772530 /nfs/dbraw/zinc/77/25/30/1038772530.db2.gz JXLBVYNSHXDZQU-IBGZPJMESA-N 1 1 326.488 4.249 20 30 EIEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000424336129 1038811651 /nfs/dbraw/zinc/81/16/51/1038811651.db2.gz ITLUHSABVSMELP-QGZVFWFLSA-N 1 1 348.406 4.009 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc(OC)c1O ZINC000470130976 1038899822 /nfs/dbraw/zinc/89/98/22/1038899822.db2.gz FIWMUGRLNLBYLI-OAHLLOKOSA-N 1 1 343.389 4.292 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000505057869 1038928374 /nfs/dbraw/zinc/92/83/74/1038928374.db2.gz MPULREKFDBEQKH-SJORKVTESA-N 1 1 329.488 4.190 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424689660 1039014986 /nfs/dbraw/zinc/01/49/86/1039014986.db2.gz XGKXTSUHQTUYCX-PKOBYXMFSA-N 1 1 328.500 4.100 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539388999 1039044463 /nfs/dbraw/zinc/04/44/63/1039044463.db2.gz VZFHFAJYJDFDOR-NSHGMRRFSA-N 1 1 343.515 4.084 20 30 EIEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232893746 1039046367 /nfs/dbraw/zinc/04/63/67/1039046367.db2.gz OGRCJSZVWUIVAE-OAHLLOKOSA-N 1 1 325.225 4.035 20 30 EIEDMO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000555334209 1039067245 /nfs/dbraw/zinc/06/72/45/1039067245.db2.gz PZWVNAQRFQZPPX-FZMZJTMJSA-N 1 1 325.225 4.102 20 30 EIEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000537628508 1039069307 /nfs/dbraw/zinc/06/93/07/1039069307.db2.gz LAYKQMLFWANOAY-NRFANRHFSA-N 1 1 332.451 4.344 20 30 EIEDMO Cc1ccc(C[N@H+](C)Cc2ccc(Br)c(C#N)c2)cc1 ZINC001232895291 1039084013 /nfs/dbraw/zinc/08/40/13/1039084013.db2.gz LBTPINAODBTAEF-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000552086172 1039108255 /nfs/dbraw/zinc/10/82/55/1039108255.db2.gz ZVPMIMGHBSVTJI-UHFFFAOYSA-N 1 1 336.361 4.077 20 30 EIEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000552086172 1039108278 /nfs/dbraw/zinc/10/82/78/1039108278.db2.gz ZVPMIMGHBSVTJI-UHFFFAOYSA-N 1 1 336.361 4.077 20 30 EIEDMO C[C@@H]1CSCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630442 1039166360 /nfs/dbraw/zinc/16/63/60/1039166360.db2.gz WZYOVTRSTPRLFJ-MRXNPFEDSA-N 1 1 338.476 4.075 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000481250346 1039167527 /nfs/dbraw/zinc/16/75/27/1039167527.db2.gz CQIQHJCXUPTESR-FQEVSTJZSA-N 1 1 342.870 4.054 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481343710 1039322776 /nfs/dbraw/zinc/32/27/76/1039322776.db2.gz RMEZFSNYXWXHKV-FQEVSTJZSA-N 1 1 349.478 4.497 20 30 EIEDMO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)OCC ZINC000534404441 1039393428 /nfs/dbraw/zinc/39/34/28/1039393428.db2.gz BIEUDBLHTFHLQM-PXNSSMCTSA-N 1 1 344.499 4.371 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000555679297 1039519285 /nfs/dbraw/zinc/51/92/85/1039519285.db2.gz PANGZVXCFFWDRJ-ZBFHGGJFSA-N 1 1 333.501 4.239 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc(F)c1F ZINC001143610271 1039550449 /nfs/dbraw/zinc/55/04/49/1039550449.db2.gz VBAVQTOYKQTMKK-SFHVURJKSA-N 1 1 342.389 4.188 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000481591408 1039607233 /nfs/dbraw/zinc/60/72/33/1039607233.db2.gz HNMZSVPWHUUYEQ-RDTXWAMCSA-N 1 1 338.442 4.206 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093101051 1039627062 /nfs/dbraw/zinc/62/70/62/1039627062.db2.gz MSNWAZOVBGKXBB-UHFFFAOYSA-N 1 1 338.455 4.421 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093101051 1039627077 /nfs/dbraw/zinc/62/70/77/1039627077.db2.gz MSNWAZOVBGKXBB-UHFFFAOYSA-N 1 1 338.455 4.421 20 30 EIEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)cc(C)c1OCc1ccccn1 ZINC000093091298 1039629351 /nfs/dbraw/zinc/62/93/51/1039629351.db2.gz XBNADVLTYHJJBH-UHFFFAOYSA-N 1 1 349.478 4.403 20 30 EIEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cc(C)c1OCc1ccccn1 ZINC000093091298 1039629364 /nfs/dbraw/zinc/62/93/64/1039629364.db2.gz XBNADVLTYHJJBH-UHFFFAOYSA-N 1 1 349.478 4.403 20 30 EIEDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl ZINC000552552301 1039647917 /nfs/dbraw/zinc/64/79/17/1039647917.db2.gz XHUVJHFKLJGMRZ-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000434614287 1039719674 /nfs/dbraw/zinc/71/96/74/1039719674.db2.gz IPGRWDFMSUKHIX-QGZVFWFLSA-N 1 1 345.443 4.026 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000093665870 1039728522 /nfs/dbraw/zinc/72/85/22/1039728522.db2.gz VHCYOYGGAGLJMF-OAQYLSRUSA-N 1 1 342.483 4.293 20 30 EIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000534729808 1039741100 /nfs/dbraw/zinc/74/11/00/1039741100.db2.gz VCSUKOKEZPVAJZ-PZJWPPBQSA-N 1 1 341.499 4.001 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1OC ZINC000093764236 1039746328 /nfs/dbraw/zinc/74/63/28/1039746328.db2.gz RZOKPVMALGKGHG-UHFFFAOYSA-N 1 1 346.496 4.170 20 30 EIEDMO CC[C@H](C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730777 1039793903 /nfs/dbraw/zinc/79/39/03/1039793903.db2.gz DHGGJDPMMCLOEY-ZWKOTPCHSA-N 1 1 349.478 4.401 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000434783492 1039869109 /nfs/dbraw/zinc/86/91/09/1039869109.db2.gz AWWDUDSXBKAZNJ-HNNXBMFYSA-N 1 1 339.414 4.109 20 30 EIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000434849660 1039886279 /nfs/dbraw/zinc/88/62/79/1039886279.db2.gz GDNYHLBNZMMLJC-CTNGQTDRSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000434849660 1039886283 /nfs/dbraw/zinc/88/62/83/1039886283.db2.gz GDNYHLBNZMMLJC-CTNGQTDRSA-N 1 1 348.446 4.042 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1OCc1ccccc1 ZINC000535072601 1039940908 /nfs/dbraw/zinc/94/09/08/1039940908.db2.gz UNIUDTAUXIQVST-UHFFFAOYSA-N 1 1 338.451 4.398 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OCc1ccccc1 ZINC000535072601 1039940922 /nfs/dbraw/zinc/94/09/22/1039940922.db2.gz UNIUDTAUXIQVST-UHFFFAOYSA-N 1 1 338.451 4.398 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000434986187 1039981432 /nfs/dbraw/zinc/98/14/32/1039981432.db2.gz NDYUBXWLBJBMOL-NRFANRHFSA-N 1 1 342.446 4.411 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983661 1040098395 /nfs/dbraw/zinc/09/83/95/1040098395.db2.gz LXMYJMPWYCEYFR-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983661 1040098415 /nfs/dbraw/zinc/09/84/15/1040098415.db2.gz LXMYJMPWYCEYFR-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO C=C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439882 1040273189 /nfs/dbraw/zinc/27/31/89/1040273189.db2.gz IXCGNLWLTCWDNB-UNMCSNQZSA-N 1 1 348.490 4.079 20 30 EIEDMO CC[C@H](C[N@@H+](CC)Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000482516897 1040311175 /nfs/dbraw/zinc/31/11/75/1040311175.db2.gz ZQHXGNQTFQZMRN-GOSISDBHSA-N 1 1 332.451 4.222 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001167958839 1040335313 /nfs/dbraw/zinc/33/53/13/1040335313.db2.gz KXQKQFMZQUWIRH-UHFFFAOYSA-N 1 1 344.414 4.255 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c1=S ZINC000151520611 1040383831 /nfs/dbraw/zinc/38/38/31/1040383831.db2.gz ZMSJMUJVPFSCOR-WBVHZDCISA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c1=S ZINC000151520611 1040383838 /nfs/dbraw/zinc/38/38/38/1040383838.db2.gz ZMSJMUJVPFSCOR-WBVHZDCISA-N 1 1 342.512 4.052 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636827 1040410800 /nfs/dbraw/zinc/41/08/00/1040410800.db2.gz NDJDFYPRVQKFCE-SFHVURJKSA-N 1 1 336.907 4.430 20 30 EIEDMO CC#CCC[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000462319733 1040479115 /nfs/dbraw/zinc/47/91/15/1040479115.db2.gz ZNGVNXLDRCUNFC-UHFFFAOYSA-N 1 1 343.492 4.223 20 30 EIEDMO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386257567 1040522303 /nfs/dbraw/zinc/52/23/03/1040522303.db2.gz FATQSCYVTVQLSN-RHSMWYFYSA-N 1 1 341.405 4.159 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000435757793 1040613493 /nfs/dbraw/zinc/61/34/93/1040613493.db2.gz CFHNOHMNZCQEMF-IHPCNDPISA-N 1 1 343.515 4.208 20 30 EIEDMO N#Cc1cccc(OCCC[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000553982864 1040676017 /nfs/dbraw/zinc/67/60/17/1040676017.db2.gz GVLVPMNPKPWLLN-UHFFFAOYSA-N 1 1 345.446 4.188 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000553982864 1040676022 /nfs/dbraw/zinc/67/60/22/1040676022.db2.gz GVLVPMNPKPWLLN-UHFFFAOYSA-N 1 1 345.446 4.188 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000667029837 1040734829 /nfs/dbraw/zinc/73/48/29/1040734829.db2.gz LPXNZUNVXFLXPK-GOSISDBHSA-N 1 1 341.499 4.049 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C)cc1 ZINC000483150048 1040738681 /nfs/dbraw/zinc/73/86/81/1040738681.db2.gz FDISDVCYZZMRRQ-UHFFFAOYSA-N 1 1 337.467 4.262 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000483262485 1040800060 /nfs/dbraw/zinc/80/00/60/1040800060.db2.gz AWUBLVPMCHHURB-SFTDATJTSA-N 1 1 348.494 4.198 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000483262485 1040800065 /nfs/dbraw/zinc/80/00/65/1040800065.db2.gz AWUBLVPMCHHURB-SFTDATJTSA-N 1 1 348.494 4.198 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Br)o1)Cc1ccc(OC)cc1 ZINC000483295374 1040808680 /nfs/dbraw/zinc/80/86/80/1040808680.db2.gz YEXLMZBHGQAJIM-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Br)o1)Cc1ccc(OC)cc1 ZINC000483295374 1040808686 /nfs/dbraw/zinc/80/86/86/1040808686.db2.gz YEXLMZBHGQAJIM-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO C[N@@H+](Cc1ccc(F)cc1Br)CC(C)(C)CCC#N ZINC000483421549 1040847097 /nfs/dbraw/zinc/84/70/97/1040847097.db2.gz URMXLOBKBRCUFH-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO N#CC(CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000436114853 1040884270 /nfs/dbraw/zinc/88/42/70/1040884270.db2.gz MMVWTSNKWFSTRT-FCHUYYIVSA-N 1 1 346.474 4.140 20 30 EIEDMO N#CC(CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000436114853 1040884273 /nfs/dbraw/zinc/88/42/73/1040884273.db2.gz MMVWTSNKWFSTRT-FCHUYYIVSA-N 1 1 346.474 4.140 20 30 EIEDMO C[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280465 1041024724 /nfs/dbraw/zinc/02/47/24/1041024724.db2.gz DTQFNGGYTLGFLM-DNVCBOLYSA-N 1 1 329.463 4.145 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1F ZINC000538133688 1041091780 /nfs/dbraw/zinc/09/17/80/1041091780.db2.gz ZDGPPVOOJJXWDK-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc2ccccc2n1C(F)F ZINC000484017088 1041096892 /nfs/dbraw/zinc/09/68/92/1041096892.db2.gz INTCEKCTCXXSSD-NSHDSACASA-N 1 1 344.340 4.293 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533124 1041164944 /nfs/dbraw/zinc/16/49/44/1041164944.db2.gz KJVZSIFJXZPCGB-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533124 1041164955 /nfs/dbraw/zinc/16/49/55/1041164955.db2.gz KJVZSIFJXZPCGB-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000425540487 1041229498 /nfs/dbraw/zinc/22/94/98/1041229498.db2.gz VLNWIXRJFCEKBS-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000425540487 1041229513 /nfs/dbraw/zinc/22/95/13/1041229513.db2.gz VLNWIXRJFCEKBS-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)CC1CCCCC1 ZINC000484485529 1041256849 /nfs/dbraw/zinc/25/68/49/1041256849.db2.gz ILYFUXFBYMDSRZ-UHFFFAOYSA-N 1 1 330.472 4.010 20 30 EIEDMO Cc1cc[nH+]c(NCc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000538323023 1041264648 /nfs/dbraw/zinc/26/46/48/1041264648.db2.gz DWGNRPKFGWRLRN-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000538389007 1041305705 /nfs/dbraw/zinc/30/57/05/1041305705.db2.gz OPPAAOHQHFATAX-INIZCTEOSA-N 1 1 336.435 4.229 20 30 EIEDMO N#Cc1csc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000538411560 1041329386 /nfs/dbraw/zinc/32/93/86/1041329386.db2.gz SBNMHDYBAZZVAJ-GFCCVEGCSA-N 1 1 325.220 4.150 20 30 EIEDMO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502519 1041381372 /nfs/dbraw/zinc/38/13/72/1041381372.db2.gz XSMYRLPFDQYTMW-IERDGZPVSA-N 1 1 337.442 4.185 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557044 1041391392 /nfs/dbraw/zinc/39/13/92/1041391392.db2.gz RYHGCIFUSCGVCS-IRXDYDNUSA-N 1 1 345.918 4.298 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189534 1041405997 /nfs/dbraw/zinc/40/59/97/1041405997.db2.gz ARSPZKHXYWPKNM-XUVXKRRUSA-N 1 1 331.887 4.097 20 30 EIEDMO COC(=O)c1cccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)c1C#N ZINC000540388465 1041422592 /nfs/dbraw/zinc/42/25/92/1041422592.db2.gz QESLHPUEGCQCSS-UHFFFAOYSA-N 1 1 342.826 4.023 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463211395 1041424235 /nfs/dbraw/zinc/42/42/35/1041424235.db2.gz PUBFPFVXHKMXFS-OTWHNJEPSA-N 1 1 332.875 4.117 20 30 EIEDMO CCCC1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000484870244 1041481589 /nfs/dbraw/zinc/48/15/89/1041481589.db2.gz ZTMRSBVQIQPNBP-UHFFFAOYSA-N 1 1 327.472 4.178 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713395 1041492205 /nfs/dbraw/zinc/49/22/05/1041492205.db2.gz LYECUFXONWUJRX-KHYOSLBOSA-N 1 1 331.891 4.049 20 30 EIEDMO CC(C)Oc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000538739110 1041512695 /nfs/dbraw/zinc/51/26/95/1041512695.db2.gz GMRCHXLMUJJNSG-UHFFFAOYSA-N 1 1 349.478 4.058 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000538763241 1041536163 /nfs/dbraw/zinc/53/61/63/1041536163.db2.gz PMQRJPOKQNJOMG-CYBMUJFWSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000538763241 1041536166 /nfs/dbraw/zinc/53/61/66/1041536166.db2.gz PMQRJPOKQNJOMG-CYBMUJFWSA-N 1 1 332.856 4.317 20 30 EIEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000904621832 1041545413 /nfs/dbraw/zinc/54/54/13/1041545413.db2.gz DCNAPRXXPZNJER-INIZCTEOSA-N 1 1 341.459 4.287 20 30 EIEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(CC#N)cc1 ZINC000463429350 1041565291 /nfs/dbraw/zinc/56/52/91/1041565291.db2.gz OZVSYKDVTJWGEK-UHFFFAOYSA-N 1 1 343.268 4.190 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000540706498 1041605528 /nfs/dbraw/zinc/60/55/28/1041605528.db2.gz LEPVVVCNMWMPGG-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000437147540 1041674172 /nfs/dbraw/zinc/67/41/72/1041674172.db2.gz UOSLFMYXAXLESG-UHFFFAOYSA-N 1 1 342.446 4.353 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nccn2CC)C(C)(C)C)cc1 ZINC000506050827 1041804611 /nfs/dbraw/zinc/80/46/11/1041804611.db2.gz GNSZFICKWSUTRM-UHFFFAOYSA-N 1 1 327.472 4.269 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nccn2CC)C(C)(C)C)cc1 ZINC000506050827 1041804614 /nfs/dbraw/zinc/80/46/14/1041804614.db2.gz GNSZFICKWSUTRM-UHFFFAOYSA-N 1 1 327.472 4.269 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000437437761 1041806026 /nfs/dbraw/zinc/80/60/26/1041806026.db2.gz XQZVEXJKTACBIY-UHFFFAOYSA-N 1 1 328.362 4.324 20 30 EIEDMO CCN(Cc1cccc(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517124586 1041877052 /nfs/dbraw/zinc/87/70/52/1041877052.db2.gz MDINRBMOCMKHIF-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517124586 1041877057 /nfs/dbraw/zinc/87/70/57/1041877057.db2.gz MDINRBMOCMKHIF-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517124586 1041877058 /nfs/dbraw/zinc/87/70/58/1041877058.db2.gz MDINRBMOCMKHIF-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000541348524 1041899087 /nfs/dbraw/zinc/89/90/87/1041899087.db2.gz QIBVSGZNJZAJIH-MOPGFXCFSA-N 1 1 342.483 4.270 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000541576667 1042023826 /nfs/dbraw/zinc/02/38/26/1042023826.db2.gz PRWYTNFMXOGJBG-VXKWHMMOSA-N 1 1 334.463 4.365 20 30 EIEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000438057940 1042032929 /nfs/dbraw/zinc/03/29/29/1042032929.db2.gz WBJQMIKUBCZIJV-DYESRHJHSA-N 1 1 344.499 4.086 20 30 EIEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000438063847 1042036306 /nfs/dbraw/zinc/03/63/06/1042036306.db2.gz DIYBQODJFMTOMX-DYESRHJHSA-N 1 1 344.499 4.228 20 30 EIEDMO CC1CC[NH+]([C@H](CNCc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000517536071 1042070260 /nfs/dbraw/zinc/07/02/60/1042070260.db2.gz QHGQZUJNKAZTLZ-JOCHJYFZSA-N 1 1 333.479 4.121 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000541760860 1042096957 /nfs/dbraw/zinc/09/69/57/1042096957.db2.gz PBXBEOWKVAIYPU-LLVKDONJSA-N 1 1 335.270 4.427 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000464648760 1042096981 /nfs/dbraw/zinc/09/69/81/1042096981.db2.gz SOYBNZHKFUULAD-ZWKOTPCHSA-N 1 1 328.500 4.137 20 30 EIEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771316 1042149388 /nfs/dbraw/zinc/14/93/88/1042149388.db2.gz DDNZJWAAPDJTLZ-NRFANRHFSA-N 1 1 341.499 4.062 20 30 EIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000383071739 1042215835 /nfs/dbraw/zinc/21/58/35/1042215835.db2.gz NWKBJPYMJGHSFG-KRWDZBQOSA-N 1 1 339.870 4.170 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC000518020141 1042315044 /nfs/dbraw/zinc/31/50/44/1042315044.db2.gz RNGSOWBKTDHMSQ-HZPDHXFCSA-N 1 1 340.414 4.437 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000506416469 1042398051 /nfs/dbraw/zinc/39/80/51/1042398051.db2.gz NMYXIDWCBHMFQL-OAHLLOKOSA-N 1 1 326.415 4.159 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487647 1042447478 /nfs/dbraw/zinc/44/74/78/1042447478.db2.gz KFGALNJYERMLFR-JOCHJYFZSA-N 1 1 349.478 4.262 20 30 EIEDMO C=CC[NH+](CC=C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000303519899 1042457600 /nfs/dbraw/zinc/45/76/00/1042457600.db2.gz CPXBOODLQCCZFH-UHFFFAOYSA-N 1 1 328.843 4.488 20 30 EIEDMO C=CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000491519774 1042465125 /nfs/dbraw/zinc/46/51/25/1042465125.db2.gz DLIVCEAFPPHIHY-FQEVSTJZSA-N 1 1 334.463 4.118 20 30 EIEDMO C=CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000491519775 1042465589 /nfs/dbraw/zinc/46/55/89/1042465589.db2.gz DLIVCEAFPPHIHY-HXUWFJFHSA-N 1 1 334.463 4.118 20 30 EIEDMO C#CC[N@H+](C)CCCNC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000491679324 1042487674 /nfs/dbraw/zinc/48/76/74/1042487674.db2.gz DZTUQLHYXSAENE-UHFFFAOYSA-N 1 1 345.556 4.175 20 30 EIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000518410422 1042509990 /nfs/dbraw/zinc/50/99/90/1042509990.db2.gz OZWLPLPHIQCUGL-UHFFFAOYSA-N 1 1 333.907 4.491 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518445221 1042521624 /nfs/dbraw/zinc/52/16/24/1042521624.db2.gz CRXPNLXNRIFYFP-CQSZACIVSA-N 1 1 344.443 4.404 20 30 EIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518607839 1042585455 /nfs/dbraw/zinc/58/54/55/1042585455.db2.gz QVBFGLIKLDSNOF-AWEZNQCLSA-N 1 1 330.378 4.046 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000439449372 1042635367 /nfs/dbraw/zinc/63/53/67/1042635367.db2.gz GPEWJIQOBJYASB-NXHRZFHOSA-N 1 1 332.875 4.237 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452152 1042636221 /nfs/dbraw/zinc/63/62/21/1042636221.db2.gz LYKZSTLSXJOTJM-MRXNPFEDSA-N 1 1 326.827 4.210 20 30 EIEDMO N#Cc1ccc(Br)c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000492530078 1042684118 /nfs/dbraw/zinc/68/41/18/1042684118.db2.gz DFQICPREPORAOH-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC000492607224 1042704456 /nfs/dbraw/zinc/70/44/56/1042704456.db2.gz MSQYBHWUNHTVPK-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992891 1042728580 /nfs/dbraw/zinc/72/85/80/1042728580.db2.gz HUGSPQDLUCFTTE-QUCCMNQESA-N 1 1 339.508 4.101 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000439814302 1042780041 /nfs/dbraw/zinc/78/00/41/1042780041.db2.gz BREAYXMDAAPKDR-UHFFFAOYSA-N 1 1 346.352 4.365 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253621034 1042817745 /nfs/dbraw/zinc/81/77/45/1042817745.db2.gz ZOEVHEULWFTXGH-STQMWFEESA-N 1 1 345.512 4.481 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253621034 1042817749 /nfs/dbraw/zinc/81/77/49/1042817749.db2.gz ZOEVHEULWFTXGH-STQMWFEESA-N 1 1 345.512 4.481 20 30 EIEDMO CCCc1ccc([C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000152520132 1042891888 /nfs/dbraw/zinc/89/18/88/1042891888.db2.gz OKNCYMCRYJHHOH-LEWJYISDSA-N 1 1 349.478 4.024 20 30 EIEDMO CCC(CC)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000520598393 1042916202 /nfs/dbraw/zinc/91/62/02/1042916202.db2.gz JUVLEDUVDIBWLC-UHFFFAOYSA-N 1 1 347.890 4.240 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609167808 1043020650 /nfs/dbraw/zinc/02/06/50/1043020650.db2.gz XIRBYCHIMWLSHY-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183968982 1043072990 /nfs/dbraw/zinc/07/29/90/1043072990.db2.gz PCMVSEKMVGXSIX-IBGZPJMESA-N 1 1 341.405 4.007 20 30 EIEDMO C[C@H](c1c(F)cccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507862476 1043160854 /nfs/dbraw/zinc/16/08/54/1043160854.db2.gz JXTXMYREMNTERK-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727255211 1043172352 /nfs/dbraw/zinc/17/23/52/1043172352.db2.gz LDTJMDZILMXNLE-UHFFFAOYSA-N 1 1 347.821 4.070 20 30 EIEDMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)c(F)c1 ZINC000427874189 1043243585 /nfs/dbraw/zinc/24/35/85/1043243585.db2.gz PWFBTJASRSBSLM-NSHDSACASA-N 1 1 342.805 4.088 20 30 EIEDMO CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](CC)CC ZINC000765965035 1043282509 /nfs/dbraw/zinc/28/25/09/1043282509.db2.gz BRXCCNBQVUYFEQ-JSGCOSHPSA-N 1 1 349.887 4.246 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366865399 1043306785 /nfs/dbraw/zinc/30/67/85/1043306785.db2.gz CKCCBEPZHHPFAR-UYAOXDASSA-N 1 1 326.484 4.355 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557717 1043319792 /nfs/dbraw/zinc/31/97/92/1043319792.db2.gz GLIJHRCIZRKLGB-RTWAWAEBSA-N 1 1 341.401 4.168 20 30 EIEDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000543575222 1043355282 /nfs/dbraw/zinc/35/52/82/1043355282.db2.gz YUEHWJKEZWWPLS-UHFFFAOYSA-N 1 1 330.472 4.041 20 30 EIEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000543575222 1043355290 /nfs/dbraw/zinc/35/52/90/1043355290.db2.gz YUEHWJKEZWWPLS-UHFFFAOYSA-N 1 1 330.472 4.041 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Br)c(F)c1 ZINC000494293040 1043409980 /nfs/dbraw/zinc/40/99/80/1043409980.db2.gz LOULMXRLBUXSLX-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC000674249319 1043512273 /nfs/dbraw/zinc/51/22/73/1043512273.db2.gz OKWUFLJRLVNGRZ-CQSZACIVSA-N 1 1 329.827 4.060 20 30 EIEDMO C=C1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428245248 1043537336 /nfs/dbraw/zinc/53/73/36/1043537336.db2.gz WFRSCCHOTCNTRW-UHFFFAOYSA-N 1 1 335.373 4.102 20 30 EIEDMO C[C@@H]1Cc2cc(-c3ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc3)ccc2O1 ZINC000521280290 1043680253 /nfs/dbraw/zinc/68/02/53/1043680253.db2.gz UFJVLBRKUXSGHA-SJLPKXTDSA-N 1 1 345.446 4.210 20 30 EIEDMO C=CC[NH+](CC=C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428251115 1043695229 /nfs/dbraw/zinc/69/52/29/1043695229.db2.gz SVFYVZIEJHUREI-UHFFFAOYSA-N 1 1 335.373 4.124 20 30 EIEDMO C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001127295287 1043850119 /nfs/dbraw/zinc/85/01/19/1043850119.db2.gz TWRQADGMCJROTI-GGPKGHCWSA-N 1 1 328.500 4.006 20 30 EIEDMO COCC[N@H+](CC1(C#N)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347493088 1043863907 /nfs/dbraw/zinc/86/39/07/1043863907.db2.gz WIQJHCQMOLNYFG-CYBMUJFWSA-N 1 1 326.362 4.019 20 30 EIEDMO COCC[N@@H+](CC1(C#N)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347493088 1043863912 /nfs/dbraw/zinc/86/39/12/1043863912.db2.gz WIQJHCQMOLNYFG-CYBMUJFWSA-N 1 1 326.362 4.019 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899009 1043891980 /nfs/dbraw/zinc/89/19/80/1043891980.db2.gz MLUSNJXUEFKKJR-INIZCTEOSA-N 1 1 346.430 4.180 20 30 EIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206847 1044129911 /nfs/dbraw/zinc/12/99/11/1044129911.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206847 1044130032 /nfs/dbraw/zinc/13/00/32/1044130032.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206847 1044130044 /nfs/dbraw/zinc/13/00/44/1044130044.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 1 1 347.506 4.238 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000174475034 1044278445 /nfs/dbraw/zinc/27/84/45/1044278445.db2.gz LDZHAKOSAVXZAO-UHFFFAOYSA-N 1 1 347.418 4.314 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](COCC)C1 ZINC000733788858 1044310778 /nfs/dbraw/zinc/31/07/78/1044310778.db2.gz ZGQILBMGQJQCGA-INIZCTEOSA-N 1 1 345.512 4.020 20 30 EIEDMO Cc1cc(F)cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001143591507 1044355240 /nfs/dbraw/zinc/35/52/40/1044355240.db2.gz GQGCXXQNDKJALA-UHFFFAOYSA-N 1 1 326.390 4.331 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=S)Nc3ccccc3C#N)c2C1 ZINC000727290454 1044368033 /nfs/dbraw/zinc/36/80/33/1044368033.db2.gz KNGBQUVHWRARAP-UHFFFAOYSA-N 1 1 336.464 4.093 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=S)Nc3ccccc3C#N)c2C1 ZINC000727290454 1044368050 /nfs/dbraw/zinc/36/80/50/1044368050.db2.gz KNGBQUVHWRARAP-UHFFFAOYSA-N 1 1 336.464 4.093 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000766192537 1044398946 /nfs/dbraw/zinc/39/89/46/1044398946.db2.gz TVXRIQLSMRTCBT-LSDHHAIUSA-N 1 1 327.399 4.258 20 30 EIEDMO C=CCCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000474086599 1044435614 /nfs/dbraw/zinc/43/56/14/1044435614.db2.gz BIJHQIYINBUNMV-SFHVURJKSA-N 1 1 335.536 4.029 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000518898664 1044444670 /nfs/dbraw/zinc/44/46/70/1044444670.db2.gz WMVUYYNYAHJGSH-UHFFFAOYSA-N 1 1 333.435 4.069 20 30 EIEDMO C=C(C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000675783286 1044496345 /nfs/dbraw/zinc/49/63/45/1044496345.db2.gz FRFFAYLZLFXNHR-OAHLLOKOSA-N 1 1 336.414 4.079 20 30 EIEDMO C#CC[N@@H+](Cc1nc2ccccc2nc1C)[C@@H]1CCc2ccccc21 ZINC000734146140 1044501698 /nfs/dbraw/zinc/50/16/98/1044501698.db2.gz IHMXDIYDTMAWDX-JOCHJYFZSA-N 1 1 327.431 4.061 20 30 EIEDMO C#CC[N@H+](Cc1nc2ccccc2nc1C)[C@@H]1CCc2ccccc21 ZINC000734146140 1044501713 /nfs/dbraw/zinc/50/17/13/1044501713.db2.gz IHMXDIYDTMAWDX-JOCHJYFZSA-N 1 1 327.431 4.061 20 30 EIEDMO COc1cc2c(cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)O[C@@H](C)C2 ZINC000543413948 1044558048 /nfs/dbraw/zinc/55/80/48/1044558048.db2.gz IYGFEFYQDQHLBR-HNNXBMFYSA-N 1 1 348.446 4.055 20 30 EIEDMO C[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644950 1044603781 /nfs/dbraw/zinc/60/37/81/1044603781.db2.gz ZOVRZXRHSUDYJB-IRXDYDNUSA-N 1 1 337.467 4.106 20 30 EIEDMO Cc1cc(C(F)(F)F)cc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)[nH+]1 ZINC000895385225 1044712461 /nfs/dbraw/zinc/71/24/61/1044712461.db2.gz GBDLQWALBSLCKF-NSHDSACASA-N 1 1 342.258 4.280 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000914785268 1044778195 /nfs/dbraw/zinc/77/81/95/1044778195.db2.gz WOVATACTTRFDOG-LSDHHAIUSA-N 1 1 346.500 4.328 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000914785268 1044778218 /nfs/dbraw/zinc/77/82/18/1044778218.db2.gz WOVATACTTRFDOG-LSDHHAIUSA-N 1 1 346.500 4.328 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)Cc2ccccc21 ZINC000735306705 1044783467 /nfs/dbraw/zinc/78/34/67/1044783467.db2.gz RMIAVXGFBADZOA-CQSZACIVSA-N 1 1 326.827 4.362 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)Cc2ccccc21 ZINC000735306705 1044783488 /nfs/dbraw/zinc/78/34/88/1044783488.db2.gz RMIAVXGFBADZOA-CQSZACIVSA-N 1 1 326.827 4.362 20 30 EIEDMO Cc1cccc(OCC[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735305659 1044787484 /nfs/dbraw/zinc/78/74/84/1044787484.db2.gz BIOUERUYNMMBHH-UHFFFAOYSA-N 1 1 344.842 4.062 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc1OC ZINC000895583669 1044815840 /nfs/dbraw/zinc/81/58/40/1044815840.db2.gz NHZGUNIXJPLVPP-MRXNPFEDSA-N 1 1 344.480 4.096 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000474244372 1044819582 /nfs/dbraw/zinc/81/95/82/1044819582.db2.gz HQQOSFBSVDCBKL-TUNNFDKTSA-N 1 1 340.511 4.102 20 30 EIEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000895711938 1044858216 /nfs/dbraw/zinc/85/82/16/1044858216.db2.gz ZWLVHEDVHNWESV-VQTJNVASSA-N 1 1 347.462 4.153 20 30 EIEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000895711938 1044858222 /nfs/dbraw/zinc/85/82/22/1044858222.db2.gz ZWLVHEDVHNWESV-VQTJNVASSA-N 1 1 347.462 4.153 20 30 EIEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931596 1044876052 /nfs/dbraw/zinc/87/60/52/1044876052.db2.gz QDOKENSTPAZJGU-CZUORRHYSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931596 1044876054 /nfs/dbraw/zinc/87/60/54/1044876054.db2.gz QDOKENSTPAZJGU-CZUORRHYSA-N 1 1 340.389 4.407 20 30 EIEDMO CSC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293407 1044898713 /nfs/dbraw/zinc/89/87/13/1044898713.db2.gz NEECPWZGIJUGRI-OAHLLOKOSA-N 1 1 343.414 4.012 20 30 EIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000736623441 1044959055 /nfs/dbraw/zinc/95/90/55/1044959055.db2.gz KIFBXKQEPKZVJZ-OAHLLOKOSA-N 1 1 328.843 4.305 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1OC(F)(F)F ZINC000125468621 1045003191 /nfs/dbraw/zinc/00/31/91/1045003191.db2.gz 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CC[N@@H+](Cc1c(F)ccc(C#N)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001143164656 1045199702 /nfs/dbraw/zinc/19/97/02/1045199702.db2.gz MUPURRYLASLZPZ-AWEZNQCLSA-N 1 1 344.405 4.298 20 30 EIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc3c(c2)CCO3)c2ccccn21 ZINC000762603465 1045312824 /nfs/dbraw/zinc/31/28/24/1045312824.db2.gz KKYMREFWTQCDEL-BQYQJAHWSA-N 1 1 332.403 4.289 20 30 EIEDMO CC1(C)C[C@@H](NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000611476003 1045315445 /nfs/dbraw/zinc/31/54/45/1045315445.db2.gz SSSYQVPWTNTSJT-OAQYLSRUSA-N 1 1 345.490 4.190 20 30 EIEDMO CC1(C)C[C@@H](NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000611476003 1045315449 /nfs/dbraw/zinc/31/54/49/1045315449.db2.gz SSSYQVPWTNTSJT-OAQYLSRUSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476153 1045315946 /nfs/dbraw/zinc/31/59/46/1045315946.db2.gz ORKBQMDUJOHASW-GCJKJVERSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476153 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/nfs/dbraw/zinc/19/44/68/1047194468.db2.gz KDMVODUQKWRNFW-HRAATJIYSA-N 1 1 339.458 4.431 20 30 EIEDMO CCCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000537407560 1047201766 /nfs/dbraw/zinc/20/17/66/1047201766.db2.gz LSPDXVLHAWHDSI-CQSZACIVSA-N 1 1 327.403 4.122 20 30 EIEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788802021 1047306404 /nfs/dbraw/zinc/30/64/04/1047306404.db2.gz NMZPAZPCVPTNDB-WQGACYEGSA-N 1 1 329.362 4.043 20 30 EIEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1nc(C#N)cs1 ZINC000897629062 1047403229 /nfs/dbraw/zinc/40/32/29/1047403229.db2.gz FOPQILCXEMHLQC-VZUCSPMQSA-N 1 1 337.370 4.227 20 30 EIEDMO CCCCc1oc2ccccc2c1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632423 1047405307 /nfs/dbraw/zinc/40/53/07/1047405307.db2.gz LQODMGHYMPFTMH-UHFFFAOYSA-N 1 1 325.437 4.393 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[NH+]3CCC(CC(F)(F)F)CC3)n2)cc1 ZINC000789526313 1047437247 /nfs/dbraw/zinc/43/72/47/1047437247.db2.gz BYBPYVVJDIONSB-UHFFFAOYSA-N 1 1 348.372 4.044 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3cc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000556509933 1047802015 /nfs/dbraw/zinc/80/20/15/1047802015.db2.gz FTPZPLJQIRRUML-UHFFFAOYSA-N 1 1 333.366 4.131 20 30 EIEDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706298 1047822368 /nfs/dbraw/zinc/82/23/68/1047822368.db2.gz CUOYFYVMTJXGSS-HXUWFJFHSA-N 1 1 340.442 4.107 20 30 EIEDMO C=C(C)CN(CC)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000498829569 1047867840 /nfs/dbraw/zinc/86/78/40/1047867840.db2.gz NVYSCQIYZCUHAZ-UHFFFAOYSA-N 1 1 344.528 4.306 20 30 EIEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2O1 ZINC001170733378 1047886250 /nfs/dbraw/zinc/88/62/50/1047886250.db2.gz RXKQFCNXLYQXDE-OAHLLOKOSA-N 1 1 345.364 4.340 20 30 EIEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2O1 ZINC001170733378 1047886259 /nfs/dbraw/zinc/88/62/59/1047886259.db2.gz RXKQFCNXLYQXDE-OAHLLOKOSA-N 1 1 345.364 4.340 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000814229386 1047899787 /nfs/dbraw/zinc/89/97/87/1047899787.db2.gz NCJKPPSVKLOLMM-HXUWFJFHSA-N 1 1 338.451 4.107 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000814256558 1047903588 /nfs/dbraw/zinc/90/35/88/1047903588.db2.gz JLBSAGFEBWJKDD-HNNXBMFYSA-N 1 1 338.386 4.005 20 30 EIEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC001171068864 1047951932 /nfs/dbraw/zinc/95/19/32/1047951932.db2.gz PIOJFGIBKWNJMW-KRWDZBQOSA-N 1 1 341.499 4.424 20 30 EIEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(-c2cccs2)cc1 ZINC001171069920 1047975090 /nfs/dbraw/zinc/97/50/90/1047975090.db2.gz RYTRGVDGEXDDSQ-KRWDZBQOSA-N 1 1 344.480 4.054 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001136976501 1048013891 /nfs/dbraw/zinc/01/38/91/1048013891.db2.gz CYYVCJZHSNFKPN-FQEVSTJZSA-N 1 1 345.446 4.391 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000556839939 1048055759 /nfs/dbraw/zinc/05/57/59/1048055759.db2.gz RYAXGOXDEHOMKV-LJQANCHMSA-N 1 1 331.504 4.334 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000499057791 1048118814 /nfs/dbraw/zinc/11/88/14/1048118814.db2.gz UYMKIRXXFJGTDJ-CABCVRRESA-N 1 1 346.471 4.141 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000499057791 1048118819 /nfs/dbraw/zinc/11/88/19/1048118819.db2.gz UYMKIRXXFJGTDJ-CABCVRRESA-N 1 1 346.471 4.141 20 30 EIEDMO CCC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072896243 1048127689 /nfs/dbraw/zinc/12/76/89/1048127689.db2.gz HQBOSTGMLCVVGL-LJQANCHMSA-N 1 1 345.512 4.143 20 30 EIEDMO CCC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072896243 1048127691 /nfs/dbraw/zinc/12/76/91/1048127691.db2.gz HQBOSTGMLCVVGL-LJQANCHMSA-N 1 1 345.512 4.143 20 30 EIEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001143722893 1048175426 /nfs/dbraw/zinc/17/54/26/1048175426.db2.gz KQFDZSQNHYAFGJ-KPFFTGBYSA-N 1 1 344.886 4.239 20 30 EIEDMO C[C@@H]1C(N=Nc2cnnc3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000814849367 1048204740 /nfs/dbraw/zinc/20/47/40/1048204740.db2.gz RTJRZCKIIRWFDD-MRXNPFEDSA-N 1 1 345.450 4.082 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)(F)F)cc1F ZINC001143792740 1048204946 /nfs/dbraw/zinc/20/49/46/1048204946.db2.gz BWBPCXPCTUVIDT-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)(F)F)cc1F ZINC001143792740 1048204959 /nfs/dbraw/zinc/20/49/59/1048204959.db2.gz BWBPCXPCTUVIDT-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC000844256937 1048269181 /nfs/dbraw/zinc/26/91/81/1048269181.db2.gz AMTXHEYCTAUPOJ-FQEVSTJZSA-N 1 1 337.463 4.336 20 30 EIEDMO CCOc1ccc(N[NH+]=C(C)c2ccc(N3CCCC3)cc2O)cc1 ZINC000814984315 1048289476 /nfs/dbraw/zinc/28/94/76/1048289476.db2.gz WZYSKBUKOAXERW-UHFFFAOYSA-N 1 1 339.439 4.227 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000919940123 1048323524 /nfs/dbraw/zinc/32/35/24/1048323524.db2.gz OUBWJKRWCGKGDN-UHFFFAOYSA-N 1 1 347.405 4.430 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000155170638 1048441879 /nfs/dbraw/zinc/44/18/79/1048441879.db2.gz JCHBOAAELYSNAJ-JOCHJYFZSA-N 1 1 349.478 4.382 20 30 EIEDMO C#CCOc1ccccc1C[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000809705615 1048489180 /nfs/dbraw/zinc/48/91/80/1048489180.db2.gz WHBMZEJESVHZDC-UHFFFAOYSA-N 1 1 337.467 4.054 20 30 EIEDMO C#CCOc1ccccc1C[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000809705615 1048489194 /nfs/dbraw/zinc/48/91/94/1048489194.db2.gz WHBMZEJESVHZDC-UHFFFAOYSA-N 1 1 337.467 4.054 20 30 EIEDMO C=C(C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001144209309 1048496416 /nfs/dbraw/zinc/49/64/16/1048496416.db2.gz CNONSOXVYODECQ-UHFFFAOYSA-N 1 1 346.352 4.259 20 30 EIEDMO C=C(C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001144209309 1048496428 /nfs/dbraw/zinc/49/64/28/1048496428.db2.gz CNONSOXVYODECQ-UHFFFAOYSA-N 1 1 346.352 4.259 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737659 1048508308 /nfs/dbraw/zinc/50/83/08/1048508308.db2.gz INUXTCIMCGARCE-INIZCTEOSA-N 1 1 336.435 4.095 20 30 EIEDMO Cc1ccc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c(C#N)n1 ZINC001170587460 1048538434 /nfs/dbraw/zinc/53/84/34/1048538434.db2.gz FBEOZTXECYNELD-QGZVFWFLSA-N 1 1 349.265 4.283 20 30 EIEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+](CC#N)C2CCCC2)CC1 ZINC000809947301 1048577737 /nfs/dbraw/zinc/57/77/37/1048577737.db2.gz CTPBXZAQPSRKIO-QAQDUYKDSA-N 1 1 349.519 4.086 20 30 EIEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000809947301 1048577753 /nfs/dbraw/zinc/57/77/53/1048577753.db2.gz CTPBXZAQPSRKIO-QAQDUYKDSA-N 1 1 349.519 4.086 20 30 EIEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC(C)(C)C1 ZINC000810042914 1048606691 /nfs/dbraw/zinc/60/66/91/1048606691.db2.gz BVGZCRCBMNIUEH-MRXNPFEDSA-N 1 1 336.863 4.022 20 30 EIEDMO CN(c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1)C1CCCCC1 ZINC000810137058 1048642310 /nfs/dbraw/zinc/64/23/10/1048642310.db2.gz NMALGSMDBDVTPB-UHFFFAOYSA-N 1 1 340.496 4.073 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](CC)CCCCCC)CC2 ZINC001170599272 1048655803 /nfs/dbraw/zinc/65/58/03/1048655803.db2.gz MWXCYPCYTMYGNC-QGZVFWFLSA-N 1 1 333.520 4.230 20 30 EIEDMO C#Cc1ccc(C[N@H+](CCC)[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC001144579007 1048730136 /nfs/dbraw/zinc/73/01/36/1048730136.db2.gz VOKWMVMNMZLFPJ-GOSISDBHSA-N 1 1 334.463 4.216 20 30 EIEDMO CCCCCC[C@@H](CC)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170602001 1048746561 /nfs/dbraw/zinc/74/65/61/1048746561.db2.gz VJWFPRUNONAMNH-LJQANCHMSA-N 1 1 328.504 4.214 20 30 EIEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000133623708 1048752011 /nfs/dbraw/zinc/75/20/11/1048752011.db2.gz PUOAFEVNCFMSCS-IRXDYDNUSA-N 1 1 346.434 4.033 20 30 EIEDMO C[NH+](C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000920942672 1048817242 /nfs/dbraw/zinc/81/72/42/1048817242.db2.gz JQZJQKIBMQZQKA-HSGPEQJXSA-N 1 1 337.250 4.421 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)cc1 ZINC001144721360 1048831261 /nfs/dbraw/zinc/83/12/61/1048831261.db2.gz IYMADNMMVWPBQT-FQEVSTJZSA-N 1 1 331.419 4.083 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC001171221933 1048858029 /nfs/dbraw/zinc/85/80/29/1048858029.db2.gz XJYCTVBBYMKNAR-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cnnc2ccccc12 ZINC000747631999 1048870711 /nfs/dbraw/zinc/87/07/11/1048870711.db2.gz ZPYNNGIWFQWTRW-UHFFFAOYSA-N 1 1 347.466 4.186 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231675 1048870888 /nfs/dbraw/zinc/87/08/88/1048870888.db2.gz KRFGOUQVAOMVIN-AVRDEDQJSA-N 1 1 348.490 4.453 20 30 EIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230240 1048871554 /nfs/dbraw/zinc/87/15/54/1048871554.db2.gz CACMRGGSZLPOTF-DYESRHJHSA-N 1 1 334.463 4.473 20 30 EIEDMO N#CCCCC[C@H]([NH3+])c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000846769216 1048891389 /nfs/dbraw/zinc/89/13/89/1048891389.db2.gz DUASXUIBLDOFNQ-SFHVURJKSA-N 1 1 346.434 4.334 20 30 EIEDMO O[C@@H](C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660862 1048899105 /nfs/dbraw/zinc/89/91/05/1048899105.db2.gz WGISLZMUVFTUKR-PMACEKPBSA-N 1 1 341.426 4.139 20 30 EIEDMO C=CCCC[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000076738065 1048938381 /nfs/dbraw/zinc/93/83/81/1048938381.db2.gz VTXMKQQRZBFHGU-UHFFFAOYSA-N 1 1 339.464 4.050 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000076738065 1048938392 /nfs/dbraw/zinc/93/83/92/1048938392.db2.gz VTXMKQQRZBFHGU-UHFFFAOYSA-N 1 1 339.464 4.050 20 30 EIEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000076801923 1048944678 /nfs/dbraw/zinc/94/46/78/1048944678.db2.gz ZDEFBLJKEVFYCY-OLZOCXBDSA-N 1 1 345.512 4.068 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000817366057 1048958594 /nfs/dbraw/zinc/95/85/94/1048958594.db2.gz TUMAOHHDCAEMMM-CQSZACIVSA-N 1 1 343.389 4.294 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412014 1048962814 /nfs/dbraw/zinc/96/28/14/1048962814.db2.gz BDDVNEYUHYWQNY-UKRRQHHQSA-N 1 1 326.362 4.142 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)c1 ZINC000817576730 1049006575 /nfs/dbraw/zinc/00/65/75/1049006575.db2.gz VTXKIEKYORVPQZ-AWEZNQCLSA-N 1 1 348.269 4.018 20 30 EIEDMO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)C(C)C)c(F)c1 ZINC000817581303 1049011001 /nfs/dbraw/zinc/01/10/01/1049011001.db2.gz PJPOQTIOOLHQDW-IBGZPJMESA-N 1 1 330.378 4.332 20 30 EIEDMO C=CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001146833925 1049063469 /nfs/dbraw/zinc/06/34/69/1049063469.db2.gz SOIZJLHJXWHENQ-DZFGPLHGSA-N 1 1 340.511 4.006 20 30 EIEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811457077 1049071534 /nfs/dbraw/zinc/07/15/34/1049071534.db2.gz GWJDDFYRBJQLFS-UHFFFAOYSA-N 1 1 333.357 4.037 20 30 EIEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135315942 1049112383 /nfs/dbraw/zinc/11/23/83/1049112383.db2.gz OPFUKKKDZQMPBO-INIZCTEOSA-N 1 1 345.512 4.141 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\Cc3ccc(C#N)cc3C2=O)c2ccccn21 ZINC000811693982 1049233379 /nfs/dbraw/zinc/23/33/79/1049233379.db2.gz NHLPIJBXKFCOEG-LFIBNONCSA-N 1 1 327.387 4.152 20 30 EIEDMO N#Cc1ccc(C[N@H+](CC[C@@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600418 1049261510 /nfs/dbraw/zinc/26/15/10/1049261510.db2.gz KHZOWLYQSFFTKN-NRFANRHFSA-N 1 1 338.426 4.269 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000609736732 1049304814 /nfs/dbraw/zinc/30/48/14/1049304814.db2.gz NIHZUTWBUXFBDQ-UWJYYQICSA-N 1 1 341.499 4.121 20 30 EIEDMO N#Cc1ccc([C@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)cc1 ZINC000819433045 1049326336 /nfs/dbraw/zinc/32/63/36/1049326336.db2.gz HLJNABKPEUVBFV-OAQYLSRUSA-N 1 1 335.451 4.448 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000610132766 1049555452 /nfs/dbraw/zinc/55/54/52/1049555452.db2.gz BVBGYFCBTZRRJJ-AWEZNQCLSA-N 1 1 344.842 4.292 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000610132767 1049556242 /nfs/dbraw/zinc/55/62/42/1049556242.db2.gz BVBGYFCBTZRRJJ-CQSZACIVSA-N 1 1 344.842 4.292 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1Cl ZINC000080238855 1049568481 /nfs/dbraw/zinc/56/84/81/1049568481.db2.gz GPELVARUXSKDTE-INIZCTEOSA-N 1 1 335.831 4.284 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)c1ccc(F)cc1 ZINC000812793211 1049591509 /nfs/dbraw/zinc/59/15/09/1049591509.db2.gz OTVHPIFXZYQXIM-MRXNPFEDSA-N 1 1 348.215 4.066 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1sc2nc(C)nc(C)c2c1C)c1ccc(F)cc1 ZINC000812792804 1049592461 /nfs/dbraw/zinc/59/24/61/1049592461.db2.gz IAQTXCYKMDGRGO-MRXNPFEDSA-N 1 1 339.439 4.220 20 30 EIEDMO C#C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793270 1049592976 /nfs/dbraw/zinc/59/29/76/1049592976.db2.gz RJMUFUKHLZRMLV-WEYGHZABSA-N 1 1 336.454 4.000 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCCCC)c(OC)c1)c1ccc(F)cc1 ZINC000812794225 1049593290 /nfs/dbraw/zinc/59/32/90/1049593290.db2.gz VNDQYNSUZHXOPB-IBGZPJMESA-N 1 1 341.426 4.477 20 30 EIEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847705 1049609855 /nfs/dbraw/zinc/60/98/55/1049609855.db2.gz FTGWHQDMVNFFFL-UZLBHIALSA-N 1 1 327.855 4.136 20 30 EIEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853503 1049613200 /nfs/dbraw/zinc/61/32/00/1049613200.db2.gz RIHSHPGWXDIIBN-LIRRHRJNSA-N 1 1 328.843 4.156 20 30 EIEDMO N#CCC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC1CC1 ZINC000081065700 1049620051 /nfs/dbraw/zinc/62/00/51/1049620051.db2.gz CDLPMQDNPZZGEJ-UHFFFAOYSA-N 1 1 347.462 4.308 20 30 EIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001133494662 1049620625 /nfs/dbraw/zinc/62/06/25/1049620625.db2.gz QIFKLTSFNKLEPR-RCCFBDPRSA-N 1 1 340.577 4.069 20 30 EIEDMO Cc1ccc(F)cc1NC(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001171400280 1049621482 /nfs/dbraw/zinc/62/14/82/1049621482.db2.gz VRIVPKXRPXZKAV-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO C#CCCCCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000773279341 1049694338 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C[N@@H+](C1CCN(Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173593818 1050496246 /nfs/dbraw/zinc/49/62/46/1050496246.db2.gz OFSZUTMMWCFWFI-UHFFFAOYSA-N 1 1 325.500 4.055 20 30 EIEDMO CN(Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596316 1050496753 /nfs/dbraw/zinc/49/67/53/1050496753.db2.gz RRESXTGHZAWNGK-UHFFFAOYSA-N 1 1 325.500 4.055 20 30 EIEDMO CN(C[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173592146 1050497429 /nfs/dbraw/zinc/49/74/29/1050497429.db2.gz IADVNIIYJFTWPP-VXESANQCSA-N 1 1 349.519 4.038 20 30 EIEDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173597342 1050499589 /nfs/dbraw/zinc/49/95/89/1050499589.db2.gz PRYNIJOJEHTYMH-UHFFFAOYSA-N 1 1 340.467 4.057 20 30 EIEDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1CCC(C)(C#N)CC1 ZINC001173598679 1050499750 /nfs/dbraw/zinc/49/97/50/1050499750.db2.gz UCNBIDQTCPIAAQ-VQSBYGRUSA-N 1 1 330.472 4.005 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173601434 1050501628 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345.490 4.047 20 30 EIEDMO C#Cc1ccc(C[N@@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1 ZINC001179878793 1050815904 /nfs/dbraw/zinc/81/59/04/1050815904.db2.gz SIOYXACKQFLNCF-HSZRJFAPSA-N 1 1 333.475 4.200 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccccc2F)CC(C)C)ccc1C#N ZINC001179992858 1050844926 /nfs/dbraw/zinc/84/49/26/1050844926.db2.gz BLYBVFMOKJSOGY-UHFFFAOYSA-N 1 1 326.415 4.364 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001179962946 1050848644 /nfs/dbraw/zinc/84/86/44/1050848644.db2.gz UVCUYGNPACZTKG-PZJWPPBQSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001179962946 1050848646 /nfs/dbraw/zinc/84/86/46/1050848646.db2.gz UVCUYGNPACZTKG-PZJWPPBQSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001179962945 1050849121 /nfs/dbraw/zinc/84/91/21/1050849121.db2.gz UVCUYGNPACZTKG-FPOVZHCZSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001179962945 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CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC001174749066 1051177993 /nfs/dbraw/zinc/17/79/93/1051177993.db2.gz DOSIKJMETCIMKB-HSZRJFAPSA-N 1 1 347.506 4.095 20 30 EIEDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC001174749066 1051178008 /nfs/dbraw/zinc/17/80/08/1051178008.db2.gz DOSIKJMETCIMKB-HSZRJFAPSA-N 1 1 347.506 4.095 20 30 EIEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC001174749066 1051178015 /nfs/dbraw/zinc/17/80/15/1051178015.db2.gz DOSIKJMETCIMKB-HSZRJFAPSA-N 1 1 347.506 4.095 20 30 EIEDMO CC[C@@](C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000775387014 1051181227 /nfs/dbraw/zinc/18/12/27/1051181227.db2.gz IXEFREUFJBGLSV-HXUWFJFHSA-N 1 1 332.407 4.023 20 30 EIEDMO N#CC1(C[C@@H](O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)CCC1 ZINC001190627769 1051237911 /nfs/dbraw/zinc/23/79/11/1051237911.db2.gz NDCIAMZCHNVPIK-HXUWFJFHSA-N 1 1 346.474 4.374 20 30 EIEDMO CCCC[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001190761496 1051262643 /nfs/dbraw/zinc/26/26/43/1051262643.db2.gz QXBOKEMRESSGRX-FQEVSTJZSA-N 1 1 326.415 4.033 20 30 EIEDMO CCCC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001190761497 1051263227 /nfs/dbraw/zinc/26/32/27/1051263227.db2.gz QXBOKEMRESSGRX-HXUWFJFHSA-N 1 1 326.415 4.033 20 30 EIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001191022778 1051330361 /nfs/dbraw/zinc/33/03/61/1051330361.db2.gz XLDUQHBIEMSEKJ-OAHLLOKOSA-N 1 1 347.890 4.298 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC001191131826 1051376285 /nfs/dbraw/zinc/37/62/85/1051376285.db2.gz HWNIVEAEPVBQNG-ZDUSSCGKSA-N 1 1 349.475 4.441 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001191214565 1051389683 /nfs/dbraw/zinc/38/96/83/1051389683.db2.gz PVPQSTSYDXOYHU-YADHBBJMSA-N 1 1 334.463 4.436 20 30 EIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001191180996 1051391608 /nfs/dbraw/zinc/39/16/08/1051391608.db2.gz CKYVNBQTBJIJFZ-WTNAPCKOSA-N 1 1 334.463 4.373 20 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C=C(C)CN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182241857 1051446511 /nfs/dbraw/zinc/44/65/11/1051446511.db2.gz SNIXBHMIGQDNEY-NRFANRHFSA-N 1 1 336.479 4.284 20 30 EIEDMO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520522 1051471559 /nfs/dbraw/zinc/47/15/59/1051471559.db2.gz HTOOGRNCFLTXDB-RJGXRXQPSA-N 1 1 345.490 4.238 20 30 EIEDMO CC(C)[C@@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001191634910 1051495303 /nfs/dbraw/zinc/49/53/03/1051495303.db2.gz CORZGLPPGKNWLW-NRFANRHFSA-N 1 1 340.442 4.107 20 30 EIEDMO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@H](C)C#N ZINC000183835848 1051512326 /nfs/dbraw/zinc/51/23/26/1051512326.db2.gz HJNXHSAGQMFXMS-LLVKDONJSA-N 1 1 327.291 4.199 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001191741256 1051536359 /nfs/dbraw/zinc/53/63/59/1051536359.db2.gz IAPDLQWKJJWUKK-WOJBJXKFSA-N 1 1 342.389 4.097 20 30 EIEDMO N#Cc1c(F)ccc(F)c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506720 1051639179 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CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158961190 1051801229 /nfs/dbraw/zinc/80/12/29/1051801229.db2.gz KWGHNVCCHJVTNM-QHCPKHFHSA-N 1 1 346.474 4.162 20 30 EIEDMO C[C@H](c1ccccc1Oc1cccc(Cl)c1)[N@@H+](C)C[C@H](O)CC#N ZINC001175811253 1051804044 /nfs/dbraw/zinc/80/40/44/1051804044.db2.gz PEAZQYPOJHONGQ-GDBMZVCRSA-N 1 1 344.842 4.400 20 30 EIEDMO N#Cc1c2ccccc2sc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175856842 1051822643 /nfs/dbraw/zinc/82/26/43/1051822643.db2.gz PQSLMCLOUMAERR-UHFFFAOYSA-N 1 1 349.459 4.349 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001192954128 1051836220 /nfs/dbraw/zinc/83/62/20/1051836220.db2.gz ZTPCLEKZPYCRCQ-OKZBNKHCSA-N 1 1 325.541 4.153 20 30 EIEDMO C#CC[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CSC1 ZINC001183419861 1051841362 /nfs/dbraw/zinc/84/13/62/1051841362.db2.gz UEYGHNIPBLVCGX-TWGQIWQCSA-N 1 1 349.499 4.329 20 30 EIEDMO C#CC[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CSC1 ZINC001183419861 1051841364 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UBOUOFWRERBGDM-SFHVURJKSA-N 1 1 342.389 4.497 20 30 EIEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001193118535 1051872415 /nfs/dbraw/zinc/87/24/15/1051872415.db2.gz UBOUOFWRERBGDM-SFHVURJKSA-N 1 1 342.389 4.497 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000775578354 1051873207 /nfs/dbraw/zinc/87/32/07/1051873207.db2.gz VYTIWHNDGQWEDZ-ORAYPTAESA-N 1 1 346.833 4.467 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001193430581 1051925048 /nfs/dbraw/zinc/92/50/48/1051925048.db2.gz NBDVTQODMARJAS-UHFFFAOYSA-N 1 1 339.483 4.323 20 30 EIEDMO CC(C)[C@@H](C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044985 1051943576 /nfs/dbraw/zinc/94/35/76/1051943576.db2.gz GTAJJGDUYHNBIX-YADHBBJMSA-N 1 1 334.463 4.371 20 30 EIEDMO CC(C)(C)[PH+](CCCNC(=O)c1cccc(C#N)c1O)C(C)(C)C ZINC001193659080 1051969850 /nfs/dbraw/zinc/96/98/50/1051969850.db2.gz JZMAXUSCNBQNKW-UHFFFAOYSA-N 1 1 348.427 4.463 20 30 EIEDMO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001193762862 1051993685 /nfs/dbraw/zinc/99/36/85/1051993685.db2.gz SSVZOAFOIVSOEC-GOSISDBHSA-N 1 1 341.499 4.061 20 30 EIEDMO CCCCCCCOC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001194012145 1052048440 /nfs/dbraw/zinc/04/84/40/1052048440.db2.gz BXZPKFXAHFLLGF-LJQANCHMSA-N 1 1 332.488 4.205 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC001194051278 1052061666 /nfs/dbraw/zinc/06/16/66/1052061666.db2.gz ASWHLHBBHGMDIT-HXUWFJFHSA-N 1 1 329.484 4.041 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1F ZINC000774775170 1052089510 /nfs/dbraw/zinc/08/95/10/1052089510.db2.gz JQVBZOJGZYNRPC-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1F ZINC000774775170 1052089517 /nfs/dbraw/zinc/08/95/17/1052089517.db2.gz JQVBZOJGZYNRPC-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001194376479 1052131216 /nfs/dbraw/zinc/13/12/16/1052131216.db2.gz GFDIPCWCQGZNLB-UHFFFAOYSA-N 1 1 344.380 4.430 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC001176579403 1052138645 /nfs/dbraw/zinc/13/86/45/1052138645.db2.gz ULAGKWMIANRTCS-UHFFFAOYSA-N 1 1 345.368 4.352 20 30 EIEDMO Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(F)c(C#N)c1 ZINC001176614500 1052140485 /nfs/dbraw/zinc/14/04/85/1052140485.db2.gz KOCSBAZQVMZIPB-UHFFFAOYSA-N 1 1 345.175 4.160 20 30 EIEDMO C=C(C)COc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266598 1052169341 /nfs/dbraw/zinc/16/93/41/1052169341.db2.gz MPFJIAKBJCZLSU-QZTJIDSGSA-N 1 1 346.515 4.003 20 30 EIEDMO C=C(C)COc1cc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266598 1052169347 /nfs/dbraw/zinc/16/93/47/1052169347.db2.gz MPFJIAKBJCZLSU-QZTJIDSGSA-N 1 1 346.515 4.003 20 30 EIEDMO CCc1c[nH]c2nc[nH+]c(N(Cc3ccc(C#N)cc3)CC(C)C)c12 ZINC001185081756 1052172111 /nfs/dbraw/zinc/17/21/11/1052172111.db2.gz SKEHEUJHJPKXDA-UHFFFAOYSA-N 1 1 333.439 4.055 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001176662894 1052172711 /nfs/dbraw/zinc/17/27/11/1052172711.db2.gz ACAQARAOINYBSG-IBGZPJMESA-N 1 1 326.465 4.226 20 30 EIEDMO Cc1cccc(C2=CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1C ZINC001176859443 1052197522 /nfs/dbraw/zinc/19/75/22/1052197522.db2.gz DVQOTVRHQJKSJF-UHFFFAOYSA-N 1 1 347.418 4.373 20 30 EIEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1C ZINC001176859443 1052197532 /nfs/dbraw/zinc/19/75/32/1052197532.db2.gz DVQOTVRHQJKSJF-UHFFFAOYSA-N 1 1 347.418 4.373 20 30 EIEDMO CC(C)(C)n1cncc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001176985648 1052213116 /nfs/dbraw/zinc/21/31/16/1052213116.db2.gz WNKUIMGMHSOPNP-INIZCTEOSA-N 1 1 340.446 4.028 20 30 EIEDMO CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001176985648 1052213128 /nfs/dbraw/zinc/21/31/28/1052213128.db2.gz WNKUIMGMHSOPNP-INIZCTEOSA-N 1 1 340.446 4.028 20 30 EIEDMO CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001176985649 1052214148 /nfs/dbraw/zinc/21/41/48/1052214148.db2.gz WNKUIMGMHSOPNP-MRXNPFEDSA-N 1 1 340.446 4.028 20 30 EIEDMO CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001176985649 1052214158 /nfs/dbraw/zinc/21/41/58/1052214158.db2.gz WNKUIMGMHSOPNP-MRXNPFEDSA-N 1 1 340.446 4.028 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccs3)o2)c1 ZINC000075590818 1052364673 /nfs/dbraw/zinc/36/46/73/1052364673.db2.gz RQQZZMIPYMBDSD-OAHLLOKOSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccs3)o2)c1 ZINC000075590818 1052364675 /nfs/dbraw/zinc/36/46/75/1052364675.db2.gz RQQZZMIPYMBDSD-OAHLLOKOSA-N 1 1 336.420 4.007 20 30 EIEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072584186 1052459543 /nfs/dbraw/zinc/45/95/43/1052459543.db2.gz LLCJUKJAFOQUIU-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO N#Cc1cccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000083476634 1052967060 /nfs/dbraw/zinc/96/70/60/1052967060.db2.gz WYZMPBRJLVEKTF-UHFFFAOYSA-N 1 1 333.460 4.090 20 30 EIEDMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764113970 1053030226 /nfs/dbraw/zinc/03/02/26/1053030226.db2.gz SDJABQJMHXPZRI-LJQANCHMSA-N 1 1 349.478 4.152 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683536 1053070793 /nfs/dbraw/zinc/07/07/93/1053070793.db2.gz ORUQLODIQNHJDQ-VCBZYWHSSA-N 1 1 335.407 4.233 20 30 EIEDMO N#Cc1cccc(OCCC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC001194754422 1053082591 /nfs/dbraw/zinc/08/25/91/1053082591.db2.gz DDJGXJIVMIUFCK-UHFFFAOYSA-N 1 1 344.817 4.178 20 30 EIEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001195155094 1053304214 /nfs/dbraw/zinc/30/42/14/1053304214.db2.gz LXDWJHGFYCYGRR-AABGKKOBSA-N 1 1 326.484 4.089 20 30 EIEDMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC001195349814 1053379479 /nfs/dbraw/zinc/37/94/79/1053379479.db2.gz DPNRCIWNBHBBEL-IAGOWNOFSA-N 1 1 334.504 4.293 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001195367324 1053384528 /nfs/dbraw/zinc/38/45/28/1053384528.db2.gz IGRKDYLWZMVODN-ZDUSSCGKSA-N 1 1 344.361 4.115 20 30 EIEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCCC2)O1 ZINC001195796343 1053490951 /nfs/dbraw/zinc/49/09/51/1053490951.db2.gz DVDKVRDZKAZVPE-OAHLLOKOSA-N 1 1 337.385 4.090 20 30 EIEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCCC2)O1 ZINC001195796343 1053490953 /nfs/dbraw/zinc/49/09/53/1053490953.db2.gz DVDKVRDZKAZVPE-OAHLLOKOSA-N 1 1 337.385 4.090 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289634 1053494508 /nfs/dbraw/zinc/49/45/08/1053494508.db2.gz CHWHZBRXXIXJIR-IAGOWNOFSA-N 1 1 336.907 4.200 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289634 1053494514 /nfs/dbraw/zinc/49/45/14/1053494514.db2.gz CHWHZBRXXIXJIR-IAGOWNOFSA-N 1 1 336.907 4.200 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776587362 1053567310 /nfs/dbraw/zinc/56/73/10/1053567310.db2.gz MSZZVWHOQBXKPY-IAGOWNOFSA-N 1 1 349.519 4.180 20 30 EIEDMO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1C#N ZINC001196301644 1053636142 /nfs/dbraw/zinc/63/61/42/1053636142.db2.gz BFFKAWSHUHEWKG-HSZRJFAPSA-N 1 1 347.506 4.209 20 30 EIEDMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1C#N ZINC001196301644 1053636148 /nfs/dbraw/zinc/63/61/48/1053636148.db2.gz BFFKAWSHUHEWKG-HSZRJFAPSA-N 1 1 347.506 4.209 20 30 EIEDMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1C#N ZINC001196301644 1053636153 /nfs/dbraw/zinc/63/61/53/1053636153.db2.gz BFFKAWSHUHEWKG-HSZRJFAPSA-N 1 1 347.506 4.209 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261633 1053667453 /nfs/dbraw/zinc/66/74/53/1053667453.db2.gz XSYCIPZUVRVZBH-ZDUSSCGKSA-N 1 1 333.863 4.172 20 30 EIEDMO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866267234 1053669683 /nfs/dbraw/zinc/66/96/83/1053669683.db2.gz BVMBUFLLLLGSSW-DLBZAZTESA-N 1 1 349.478 4.140 20 30 EIEDMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866301171 1053682650 /nfs/dbraw/zinc/68/26/50/1053682650.db2.gz ZLQLLQHOHOPOIX-KBPBESRZSA-N 1 1 334.423 4.045 20 30 EIEDMO CC(C)(C#N)CCN1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001196498775 1053693794 /nfs/dbraw/zinc/69/37/94/1053693794.db2.gz QRYVMQFIHDONPU-UHFFFAOYSA-N 1 1 327.516 4.301 20 30 EIEDMO CC(C)(C#N)CC[N@@H+]1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196498775 1053693796 /nfs/dbraw/zinc/69/37/96/1053693796.db2.gz QRYVMQFIHDONPU-UHFFFAOYSA-N 1 1 327.516 4.301 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196498775 1053693801 /nfs/dbraw/zinc/69/38/01/1053693801.db2.gz QRYVMQFIHDONPU-UHFFFAOYSA-N 1 1 327.516 4.301 20 30 EIEDMO Fc1c(F)c(F)c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1F ZINC001197184728 1053842754 /nfs/dbraw/zinc/84/27/54/1053842754.db2.gz FTIWNYDLMJERJY-HTQZYQBOSA-N 1 1 345.233 4.369 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121778694 1053847969 /nfs/dbraw/zinc/84/79/69/1053847969.db2.gz LLSPOUMBOVUFHF-PKOBYXMFSA-N 1 1 342.414 4.159 20 30 EIEDMO N#CCCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000338965660 1053875417 /nfs/dbraw/zinc/87/54/17/1053875417.db2.gz ZYEYAFGRLLVDCF-UHFFFAOYSA-N 1 1 340.389 4.380 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000113332535 1053924643 /nfs/dbraw/zinc/92/46/43/1053924643.db2.gz NCQUQRSXEBUTMH-UHFFFAOYSA-N 1 1 332.403 4.034 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001197701380 1053976655 /nfs/dbraw/zinc/97/66/55/1053976655.db2.gz HNLWGCKOUGXYDN-GFCCVEGCSA-N 1 1 329.387 4.152 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CC2(O)CCCCC2)ccc1F ZINC001197692547 1053976808 /nfs/dbraw/zinc/97/68/08/1053976808.db2.gz NMPBVGFRSSGYKX-SFHVURJKSA-N 1 1 330.447 4.137 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198243412 1054108513 /nfs/dbraw/zinc/10/85/13/1054108513.db2.gz VDXQRJLSQBCUHP-JOCHJYFZSA-N 1 1 333.406 4.118 20 30 EIEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(Br)c1 ZINC001198278304 1054112438 /nfs/dbraw/zinc/11/24/38/1054112438.db2.gz JDCLQJRHZYOABQ-WMZOPIPTSA-N 1 1 345.284 4.331 20 30 EIEDMO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001198429947 1054144245 /nfs/dbraw/zinc/14/42/45/1054144245.db2.gz PRAHKJHIDUNMGW-AWEZNQCLSA-N 1 1 345.512 4.092 20 30 EIEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)cc1 ZINC000857049608 1054161642 /nfs/dbraw/zinc/16/16/42/1054161642.db2.gz MYNQJLYJFVRFFB-LJQANCHMSA-N 1 1 349.478 4.071 20 30 EIEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001198526744 1054176641 /nfs/dbraw/zinc/17/66/41/1054176641.db2.gz UVVLXROJRWFTQE-LJQANCHMSA-N 1 1 348.446 4.295 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000123620559 1054210589 /nfs/dbraw/zinc/21/05/89/1054210589.db2.gz IKUBFIRLDVWZDY-OAHLLOKOSA-N 1 1 328.843 4.305 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198705815 1054245663 /nfs/dbraw/zinc/24/56/63/1054245663.db2.gz MFNWXCODJAPNAV-OAQYLSRUSA-N 1 1 334.463 4.451 20 30 EIEDMO CC[NH+](CC)[C@H](CNCc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001199188928 1054361750 /nfs/dbraw/zinc/36/17/50/1054361750.db2.gz GUQHWONWACMURA-QFIPXVFZSA-N 1 1 349.522 4.218 20 30 EIEDMO N#Cc1c2ccccc2sc1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199366825 1054398938 /nfs/dbraw/zinc/39/89/38/1054398938.db2.gz UUFJKBBGHHJHGQ-UHFFFAOYSA-N 1 1 348.431 4.020 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017338 1054400888 /nfs/dbraw/zinc/40/08/88/1054400888.db2.gz NPKYQVQOYRRTCM-IIBYNOLFSA-N 1 1 347.462 4.435 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051191 1054408548 /nfs/dbraw/zinc/40/85/48/1054408548.db2.gz JGZZFAZKPFVMLK-GOSISDBHSA-N 1 1 327.472 4.132 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000872181656 1054423691 /nfs/dbraw/zinc/42/36/91/1054423691.db2.gz OKZNTXQBKMQVGM-MNOVXSKESA-N 1 1 349.715 4.290 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014458 1054439244 /nfs/dbraw/zinc/43/92/44/1054439244.db2.gz RTFXJXFOCHCEII-RHSMWYFYSA-N 1 1 325.374 4.252 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2nc(C)cs2)cc(OC)c1OC ZINC000858377169 1054477166 /nfs/dbraw/zinc/47/71/66/1054477166.db2.gz VRSPXUYXMTVLGI-CYBMUJFWSA-N 1 1 332.469 4.048 20 30 EIEDMO CCOc1cccc(F)c1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000873049397 1054479839 /nfs/dbraw/zinc/47/98/39/1054479839.db2.gz BBPOBBOCVOHDGS-MRXNPFEDSA-N 1 1 342.414 4.195 20 30 EIEDMO C[C@H](C#N)OCC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068043 1054767731 /nfs/dbraw/zinc/76/77/31/1054767731.db2.gz JGRKCYWCXSFCNT-OAHLLOKOSA-N 1 1 339.464 4.160 20 30 EIEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@H](C)CCC=C(C)C)CCC2 ZINC001201486022 1054815122 /nfs/dbraw/zinc/81/51/22/1054815122.db2.gz LQSDPXHSJMEWRF-GOSISDBHSA-N 1 1 331.504 4.174 20 30 EIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486443 1054815337 /nfs/dbraw/zinc/81/53/37/1054815337.db2.gz JTQHXPXESCXXBM-PZJWPPBQSA-N 1 1 332.532 4.402 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000347625102 1054827509 /nfs/dbraw/zinc/82/75/09/1054827509.db2.gz OACZLHBNEJRRNN-QGZVFWFLSA-N 1 1 335.234 4.078 20 30 EIEDMO CCCCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201762728 1054900532 /nfs/dbraw/zinc/90/05/32/1054900532.db2.gz RZXJSJHVYILEEK-LJQANCHMSA-N 1 1 348.531 4.305 20 30 EIEDMO CCCCCCC[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001201762728 1054900548 /nfs/dbraw/zinc/90/05/48/1054900548.db2.gz RZXJSJHVYILEEK-LJQANCHMSA-N 1 1 348.531 4.305 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001201813472 1054912078 /nfs/dbraw/zinc/91/20/78/1054912078.db2.gz FAHVQXFAMKVZGT-ICSRJNTNSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCCC[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815166 1054914769 /nfs/dbraw/zinc/91/47/69/1054914769.db2.gz YEQDQWBSMNSSPQ-PWRODBHTSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001201776577 1054915282 /nfs/dbraw/zinc/91/52/82/1054915282.db2.gz FTUFAAKPWCLYPN-NJDAHSKKSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201852633 1054921036 /nfs/dbraw/zinc/92/10/36/1054921036.db2.gz FSGVSNKVJLTVOZ-SFHVURJKSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201852904 1054923620 /nfs/dbraw/zinc/92/36/20/1054923620.db2.gz RFJKAJUVVLUKQE-UHFFFAOYSA-N 1 1 338.517 4.429 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201852904 1054923631 /nfs/dbraw/zinc/92/36/31/1054923631.db2.gz RFJKAJUVVLUKQE-UHFFFAOYSA-N 1 1 338.517 4.429 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201840098 1054931867 /nfs/dbraw/zinc/93/18/67/1054931867.db2.gz UBFGIWYCVKQYTB-FQEVSTJZSA-N 1 1 347.547 4.492 20 30 EIEDMO CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001201846297 1054932965 /nfs/dbraw/zinc/93/29/65/1054932965.db2.gz HALJCQWPBUXCJS-ACDBMABISA-N 1 1 346.515 4.214 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876807526 1054960140 /nfs/dbraw/zinc/96/01/40/1054960140.db2.gz GCMPNQJGYGWEJS-QFBILLFUSA-N 1 1 328.481 4.224 20 30 EIEDMO N#Cc1cnc(Cl)c(CNc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000876819960 1054964937 /nfs/dbraw/zinc/96/49/37/1054964937.db2.gz PKUHRSUOBLIGLO-UHFFFAOYSA-N 1 1 326.831 4.209 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC[C@H](C)CCC=C(C)C ZINC001201970767 1054973020 /nfs/dbraw/zinc/97/30/20/1054973020.db2.gz BHQXRQLRIUOJBX-UYAOXDASSA-N 1 1 345.531 4.295 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000876906334 1054980744 /nfs/dbraw/zinc/98/07/44/1054980744.db2.gz WRQDAIOAIVPQDX-AWEZNQCLSA-N 1 1 333.819 4.072 20 30 EIEDMO N#CCOc1cccc(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877169179 1055031341 /nfs/dbraw/zinc/03/13/41/1055031341.db2.gz JALPTEHFFWMVIN-SIKLNZKXSA-N 1 1 347.462 4.369 20 30 EIEDMO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173451113 1055045824 /nfs/dbraw/zinc/04/58/24/1055045824.db2.gz NUQFXQQTPVJYAS-UHFFFAOYSA-N 1 1 332.407 4.020 20 30 EIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173451113 1055045842 /nfs/dbraw/zinc/04/58/42/1055045842.db2.gz NUQFXQQTPVJYAS-UHFFFAOYSA-N 1 1 332.407 4.020 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000877522530 1055072244 /nfs/dbraw/zinc/07/22/44/1055072244.db2.gz BQJLYWNQBCTBGS-AWEZNQCLSA-N 1 1 343.393 4.285 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1OC ZINC000877814174 1055127276 /nfs/dbraw/zinc/12/72/76/1055127276.db2.gz VEXLLDOSKXESSZ-MRXNPFEDSA-N 1 1 344.480 4.014 20 30 EIEDMO N#Cc1ccc(C[NH+](CCC(F)(F)F)Cc2ccc(C#N)cc2)cc1 ZINC001202356041 1055148599 /nfs/dbraw/zinc/14/85/99/1055148599.db2.gz JEWUEKOQJOWXHW-UHFFFAOYSA-N 1 1 343.352 4.385 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000877937363 1055157622 /nfs/dbraw/zinc/15/76/22/1055157622.db2.gz LFPHFDSGPDMHTE-HTAPYJJXSA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951908 1055161105 /nfs/dbraw/zinc/16/11/05/1055161105.db2.gz UHDJVWKKIKVVCW-FCHUYYIVSA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1cccs1)c1ccccc1 ZINC000877970598 1055164590 /nfs/dbraw/zinc/16/45/90/1055164590.db2.gz PAVUSDYOTKTGCF-KXBFYZLASA-N 1 1 326.465 4.182 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520016 1055331826 /nfs/dbraw/zinc/33/18/26/1055331826.db2.gz FKRDUFXQSDCBMN-XXBNENTESA-N 1 1 348.490 4.299 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000878574878 1055348385 /nfs/dbraw/zinc/34/83/85/1055348385.db2.gz VASXXKLKDUTFMM-QHCPKHFHSA-N 1 1 344.458 4.216 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccc(C)c1C)c1ccccc1 ZINC000878639786 1055363502 /nfs/dbraw/zinc/36/35/02/1055363502.db2.gz VGTMUIBRPXSJFW-JOCHJYFZSA-N 1 1 334.463 4.176 20 30 EIEDMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000553399549 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335.426 4.305 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301494930 1055941834 /nfs/dbraw/zinc/94/18/34/1055941834.db2.gz AJILBVUWTNFNRU-UHFFFAOYSA-N 1 1 336.483 4.055 20 30 EIEDMO C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301510644 1055944948 /nfs/dbraw/zinc/94/49/48/1055944948.db2.gz BHNKUKHPGIYWCU-GDBMZVCRSA-N 1 1 340.858 4.072 20 30 EIEDMO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000301699525 1055970041 /nfs/dbraw/zinc/97/00/41/1055970041.db2.gz DZXPYLNAQKKCDS-IFMALSPDSA-N 1 1 331.463 4.049 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000301868069 1055996045 /nfs/dbraw/zinc/99/60/45/1055996045.db2.gz IPGOWSKKRPZTDG-WMLDXEAASA-N 1 1 347.249 4.117 20 30 EIEDMO Cc1ccc(CNc2c(C#N)cnc3ccccc32)c(N2CCCC2)[nH+]1 ZINC000302046000 1056011488 /nfs/dbraw/zinc/01/14/88/1056011488.db2.gz KQDBBLJUSBEAEJ-UHFFFAOYSA-N 1 1 343.434 4.022 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCOc2cccc(Cl)c2)C2CC2)cc1 ZINC000554180400 1056040646 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N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741791665 1058372851 /nfs/dbraw/zinc/37/28/51/1058372851.db2.gz WWIJTYJDWBGFIC-KRWDZBQOSA-N 1 1 340.854 4.307 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803461 1058381695 /nfs/dbraw/zinc/38/16/95/1058381695.db2.gz BZENRNQYTPPMOW-PMACEKPBSA-N 1 1 342.483 4.149 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)c1=S ZINC000742151712 1058532591 /nfs/dbraw/zinc/53/25/91/1058532591.db2.gz BIOOHRREWAPZDK-GOSISDBHSA-N 1 1 342.512 4.320 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)c1=S ZINC000742151712 1058532606 /nfs/dbraw/zinc/53/26/06/1058532606.db2.gz BIOOHRREWAPZDK-GOSISDBHSA-N 1 1 342.512 4.320 20 30 EIEDMO Cn1cc[nH+]c1C[C@H](/N=C/c1cc(Cl)ccc1O)c1ccccc1 ZINC000743045043 1058850148 /nfs/dbraw/zinc/85/01/48/1058850148.db2.gz XCEGVVINRMXSCL-KOWBDXASSA-N 1 1 339.826 4.182 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000743543751 1059041365 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C#CCCOc1ccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000744447438 1059517378 /nfs/dbraw/zinc/51/73/78/1059517378.db2.gz PGLONNGZXVMSPZ-UHFFFAOYSA-N 1 1 346.430 4.342 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000746152149 1060046563 /nfs/dbraw/zinc/04/65/63/1060046563.db2.gz HVOSMEGLYXMCOE-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000191464840 1060188384 /nfs/dbraw/zinc/18/83/84/1060188384.db2.gz HVXIXJJTPAHAOP-INIZCTEOSA-N 1 1 329.488 4.002 20 30 EIEDMO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC001168873326 1060497198 /nfs/dbraw/zinc/49/71/98/1060497198.db2.gz NSPRJFQWBXYCPB-OAQYLSRUSA-N 1 1 325.500 4.010 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3sccc3C)C2)CC1 ZINC001204019138 1060538230 /nfs/dbraw/zinc/53/82/30/1060538230.db2.gz NVBUQMBBNHPGEM-UHFFFAOYSA-N 1 1 348.512 4.057 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCC(=O)Nc2ccccc2)cc1 ZINC001168982601 1060551314 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C=CCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000449861961 1032085694 /nfs/dbraw/zinc/08/56/94/1032085694.db2.gz UHOGPSSFHQFFGK-OALUTQOASA-N 1 1 332.532 4.236 20 30 EIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC001211975324 1032261032 /nfs/dbraw/zinc/26/10/32/1032261032.db2.gz DEPQLGUQUBTYJC-MSOLQXFVSA-N 1 1 343.471 4.123 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340185 1032281088 /nfs/dbraw/zinc/28/10/88/1032281088.db2.gz PJOBWUBIDNQDBV-HNNXBMFYSA-N 1 1 339.414 4.109 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000173548822 1032367422 /nfs/dbraw/zinc/36/74/22/1032367422.db2.gz JYHSKWBNBAHBDC-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000173548822 1032367428 /nfs/dbraw/zinc/36/74/28/1032367428.db2.gz JYHSKWBNBAHBDC-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2scnc2C)ccc1OC ZINC000179429963 1032561364 /nfs/dbraw/zinc/56/13/64/1032561364.db2.gz ZKFQJHPLESFLLS-UHFFFAOYSA-N 1 1 332.469 4.047 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2scnc2C)ccc1OC ZINC000179429963 1032561375 /nfs/dbraw/zinc/56/13/75/1032561375.db2.gz ZKFQJHPLESFLLS-UHFFFAOYSA-N 1 1 332.469 4.047 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000533248148 1032563970 /nfs/dbraw/zinc/56/39/70/1032563970.db2.gz MGENZSHXUURYNM-OAHLLOKOSA-N 1 1 339.414 4.109 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179888458 1032576165 /nfs/dbraw/zinc/57/61/65/1032576165.db2.gz ABFKMULIDODRIM-UHFFFAOYSA-N 1 1 348.475 4.208 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000180206595 1032595684 /nfs/dbraw/zinc/59/56/84/1032595684.db2.gz MLUZKYFVYZSQMP-ZIFCJYIRSA-N 1 1 335.451 4.225 20 30 EIEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533309700 1032616388 /nfs/dbraw/zinc/61/63/88/1032616388.db2.gz NOJNRMDYJRFVTC-HNNXBMFYSA-N 1 1 326.415 4.473 20 30 EIEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)s1 ZINC000572509733 1032691679 /nfs/dbraw/zinc/69/16/79/1032691679.db2.gz XMXWMSDYJOKFFC-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)s1 ZINC000572509733 1032691685 /nfs/dbraw/zinc/69/16/85/1032691685.db2.gz XMXWMSDYJOKFFC-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026331445 1032693242 /nfs/dbraw/zinc/69/32/42/1032693242.db2.gz LHMBTRQJEAVOIG-CYBMUJFWSA-N 1 1 340.377 4.496 20 30 EIEDMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026331445 1032693247 /nfs/dbraw/zinc/69/32/47/1032693247.db2.gz LHMBTRQJEAVOIG-CYBMUJFWSA-N 1 1 340.377 4.496 20 30 EIEDMO CC[N@H+](CCSc1ccnc2cc(Cl)ccc21)C[C@H](C)C#N ZINC000512428404 1032745562 /nfs/dbraw/zinc/74/55/62/1032745562.db2.gz SZNZXJGCZGGUKQ-CYBMUJFWSA-N 1 1 333.888 4.462 20 30 EIEDMO CC[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C[C@H](C)C#N ZINC000512428404 1032745575 /nfs/dbraw/zinc/74/55/75/1032745575.db2.gz SZNZXJGCZGGUKQ-CYBMUJFWSA-N 1 1 333.888 4.462 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 ZINC000512428815 1032747340 /nfs/dbraw/zinc/74/73/40/1032747340.db2.gz ZPEKNQWVMLHBSR-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 ZINC000512428815 1032747356 /nfs/dbraw/zinc/74/73/56/1032747356.db2.gz ZPEKNQWVMLHBSR-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1)C(C)C ZINC000116805155 1018818939 /nfs/dbraw/zinc/81/89/39/1018818939.db2.gz ICAYQJYDZIFUID-UWJYYQICSA-N 1 1 341.499 4.119 20 30 EIEDMO N#CCCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000399490161 1018906402 /nfs/dbraw/zinc/90/64/02/1018906402.db2.gz UNVKCENJWSVBCL-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO COc1cc2c(cc1C[NH2+][C@@H](CCC#N)c1ccccc1)O[C@@H](C)C2 ZINC000533496813 1032804873 /nfs/dbraw/zinc/80/48/73/1032804873.db2.gz PGNFDXDIPFYVKC-KXBFYZLASA-N 1 1 336.435 4.153 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000533496864 1032802152 /nfs/dbraw/zinc/80/21/52/1032802152.db2.gz FEOYXSOTZCJZKE-HXUWFJFHSA-N 1 1 328.419 4.278 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000467982999 1019757144 /nfs/dbraw/zinc/75/71/44/1019757144.db2.gz KKIRLGPHIFJGAJ-FGZHOGPDSA-N 1 1 340.511 4.103 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209438611 1020336657 /nfs/dbraw/zinc/33/66/57/1020336657.db2.gz PDZMIRYHYAAXQB-LSDHHAIUSA-N 1 1 325.390 4.240 20 30 EIEDMO Cc1c[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c(C)c1 ZINC001167150374 1020388512 /nfs/dbraw/zinc/38/85/12/1020388512.db2.gz LJJPINIENXVRNN-UHFFFAOYSA-N 1 1 341.842 4.271 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001167251124 1020670713 /nfs/dbraw/zinc/67/07/13/1020670713.db2.gz ARRFWATWNCEOSI-VXKWHMMOSA-N 1 1 332.447 4.467 20 30 EIEDMO C=C(C)COc1cc(CNCC(C)(C)[NH+]2CCCCC2)ccc1OC ZINC000060926839 1020689160 /nfs/dbraw/zinc/68/91/60/1020689160.db2.gz QPBPJMNQAKUZBM-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167273432 1020749334 /nfs/dbraw/zinc/74/93/34/1020749334.db2.gz GOAKHGJYBYRUHO-UHFFFAOYSA-N 1 1 330.815 4.479 20 30 EIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000177046303 1020951840 /nfs/dbraw/zinc/95/18/40/1020951840.db2.gz IOQIUKWZIKSALP-HXUWFJFHSA-N 1 1 330.435 4.265 20 30 EIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000177046303 1020951847 /nfs/dbraw/zinc/95/18/47/1020951847.db2.gz IOQIUKWZIKSALP-HXUWFJFHSA-N 1 1 330.435 4.265 20 30 EIEDMO CCC[N@H+]1CCc2c(N)sc(Nc3cc(C)cc(C#N)c3)c2C1 ZINC001210389197 1021068000 /nfs/dbraw/zinc/06/80/00/1021068000.db2.gz YYSHNRXXLBKCJF-UHFFFAOYSA-N 1 1 326.469 4.022 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@H]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179972771 1021194908 /nfs/dbraw/zinc/19/49/08/1021194908.db2.gz PLSGEXPCZHBIAU-FQEVSTJZSA-N 1 1 334.467 4.113 20 30 EIEDMO Cc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)c(N2CCCC2)[nH+]1 ZINC000613428970 1022007784 /nfs/dbraw/zinc/00/77/84/1022007784.db2.gz BNOJNDCMKARELN-UHFFFAOYSA-N 1 1 349.482 4.167 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000584558239 1022417227 /nfs/dbraw/zinc/41/72/27/1022417227.db2.gz GSGYVLBYLLMBDV-FQEVSTJZSA-N 1 1 338.838 4.181 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000378240755 1022557920 /nfs/dbraw/zinc/55/79/20/1022557920.db2.gz BPXCUGDXMBLLIA-INIZCTEOSA-N 1 1 335.382 4.218 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000181013383 1022576361 /nfs/dbraw/zinc/57/63/61/1022576361.db2.gz MFIWMDKLSNIJBF-UHFFFAOYSA-N 1 1 347.384 4.086 20 30 EIEDMO N#CCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000060332678 1022603723 /nfs/dbraw/zinc/60/37/23/1022603723.db2.gz WOXLKQFLFZLSAK-HNNXBMFYSA-N 1 1 340.254 4.090 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000084084058 1022657807 /nfs/dbraw/zinc/65/78/07/1022657807.db2.gz VGURGVIEMFQGOL-CQSZACIVSA-N 1 1 339.464 4.104 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065497 1022857840 /nfs/dbraw/zinc/85/78/40/1022857840.db2.gz XZENSHBJDREWAS-RXVVDRJESA-N 1 1 333.479 4.121 20 30 EIEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000126265081 1022878795 /nfs/dbraw/zinc/87/87/95/1022878795.db2.gz NIASJYJDQVDZNC-UHFFFAOYSA-N 1 1 341.480 4.249 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156980475 1022921273 /nfs/dbraw/zinc/92/12/73/1022921273.db2.gz RFTVCYXMHBKKLV-AVRDEDQJSA-N 1 1 333.479 4.043 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1)C(C)C ZINC000075277028 1023225434 /nfs/dbraw/zinc/22/54/34/1023225434.db2.gz YDMYPAIVHIPOFJ-QGZVFWFLSA-N 1 1 349.478 4.280 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364065993 1023236136 /nfs/dbraw/zinc/23/61/36/1023236136.db2.gz LRWZNPVCGPSJOO-AZUAARDMSA-N 1 1 328.500 4.102 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001167464460 1023249429 /nfs/dbraw/zinc/24/94/29/1023249429.db2.gz MFKMTNLLPMKPGP-WLRLJWMZSA-N 1 1 326.484 4.353 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001167464460 1023249433 /nfs/dbraw/zinc/24/94/33/1023249433.db2.gz MFKMTNLLPMKPGP-WLRLJWMZSA-N 1 1 326.484 4.353 20 30 EIEDMO C=CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1cccs1 ZINC000659816786 1023292227 /nfs/dbraw/zinc/29/22/27/1023292227.db2.gz UFOLPDRCRZSBHN-QGZVFWFLSA-N 1 1 344.505 4.239 20 30 EIEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc1 ZINC000377091270 1023369651 /nfs/dbraw/zinc/36/96/51/1023369651.db2.gz MDWXTSIJBNGIBQ-UHFFFAOYSA-N 1 1 345.446 4.218 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1C#N ZINC000549173590 1023415149 /nfs/dbraw/zinc/41/51/49/1023415149.db2.gz SMLFOTPQQJIQPD-INIZCTEOSA-N 1 1 338.373 4.121 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000276419115 1023477573 /nfs/dbraw/zinc/47/75/73/1023477573.db2.gz NOXFMTFZDSQNFC-UHFFFAOYSA-N 1 1 343.515 4.487 20 30 EIEDMO COc1cccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)cs2)c1 ZINC000563067679 1023500009 /nfs/dbraw/zinc/50/00/09/1023500009.db2.gz IEDVWEWDROCWOO-UHFFFAOYSA-N 1 1 341.480 4.334 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377398060 1023508559 /nfs/dbraw/zinc/50/85/59/1023508559.db2.gz LJLZLFRZQBVTFO-SFHVURJKSA-N 1 1 345.446 4.125 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cccs1 ZINC000644218310 1023525696 /nfs/dbraw/zinc/52/56/96/1023525696.db2.gz QVEYVUCCUYAQSE-UHFFFAOYSA-N 1 1 334.872 4.418 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418129987 1023547106 /nfs/dbraw/zinc/54/71/06/1023547106.db2.gz TZKITSQNIMTCPT-LJQANCHMSA-N 1 1 330.497 4.087 20 30 EIEDMO CCC[C@@H](C)[N@H+]1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361913 1023598007 /nfs/dbraw/zinc/59/80/07/1023598007.db2.gz PYROESKVSWXKAD-CYBMUJFWSA-N 1 1 340.423 4.058 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C(F)(F)F)ccc1CC#N ZINC001167752343 1023625109 /nfs/dbraw/zinc/62/51/09/1023625109.db2.gz FIBIYMLCTJAVJW-AWEZNQCLSA-N 1 1 339.405 4.448 20 30 EIEDMO C=CCCCCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000473050275 1023627599 /nfs/dbraw/zinc/62/75/99/1023627599.db2.gz OXRVFVBEMNJTBZ-UHFFFAOYSA-N 1 1 332.879 4.314 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000473050275 1023627604 /nfs/dbraw/zinc/62/76/04/1023627604.db2.gz OXRVFVBEMNJTBZ-UHFFFAOYSA-N 1 1 332.879 4.314 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000759842154 1023703810 /nfs/dbraw/zinc/70/38/10/1023703810.db2.gz CHQTVEQYZLCLEL-DJJJIMSYSA-N 1 1 346.833 4.467 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759845746 1023710490 /nfs/dbraw/zinc/71/04/90/1023710490.db2.gz SXPSANJABHMJLJ-LJQANCHMSA-N 1 1 346.833 4.295 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000477658813 1023855907 /nfs/dbraw/zinc/85/59/07/1023855907.db2.gz CCDJVHKVBJSKMR-NRFANRHFSA-N 1 1 336.410 4.168 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000477658813 1023855912 /nfs/dbraw/zinc/85/59/12/1023855912.db2.gz CCDJVHKVBJSKMR-NRFANRHFSA-N 1 1 336.410 4.168 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000468861833 1024032701 /nfs/dbraw/zinc/03/27/01/1024032701.db2.gz GITXBLDAQXRMPR-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000468861833 1024032720 /nfs/dbraw/zinc/03/27/20/1024032720.db2.gz GITXBLDAQXRMPR-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1Cl ZINC000510675858 1024215962 /nfs/dbraw/zinc/21/59/62/1024215962.db2.gz SYDUJUQJAVGPBX-INIZCTEOSA-N 1 1 345.874 4.018 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595348756 1024250562 /nfs/dbraw/zinc/25/05/62/1024250562.db2.gz UZDZRLWKRCZWOJ-GOSISDBHSA-N 1 1 345.512 4.141 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCOc1cccc(C#N)c1)CCC2 ZINC000127390298 1024395245 /nfs/dbraw/zinc/39/52/45/1024395245.db2.gz BBYVCORBFDCYAX-SFHVURJKSA-N 1 1 341.480 4.102 20 30 EIEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000893971031 1033210081 /nfs/dbraw/zinc/21/00/81/1033210081.db2.gz ALVLXJVNPHWIDD-RYUDHWBXSA-N 1 1 332.835 4.369 20 30 EIEDMO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1Oc1cccnc1 ZINC000348704878 1024553566 /nfs/dbraw/zinc/55/35/66/1024553566.db2.gz FPWRKACWTOFJRJ-UHFFFAOYSA-N 1 1 325.387 4.010 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079632 1024848995 /nfs/dbraw/zinc/84/89/95/1024848995.db2.gz LHPZYKAJOBZTKN-BMFZPTHFSA-N 1 1 327.403 4.428 20 30 EIEDMO CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000330250108 1024879482 /nfs/dbraw/zinc/87/94/82/1024879482.db2.gz HAEZIRWIIVBPBQ-OLZOCXBDSA-N 1 1 331.485 4.207 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872258 1024896202 /nfs/dbraw/zinc/89/62/02/1024896202.db2.gz FFXUCGQEHJNXBD-VOQZNFBZSA-N 1 1 345.446 4.249 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872258 1024896205 /nfs/dbraw/zinc/89/62/05/1024896205.db2.gz FFXUCGQEHJNXBD-VOQZNFBZSA-N 1 1 345.446 4.249 20 30 EIEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000181263606 1025136838 /nfs/dbraw/zinc/13/68/38/1025136838.db2.gz KVVWDRDYELRMHH-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000181263606 1025136840 /nfs/dbraw/zinc/13/68/40/1025136840.db2.gz KVVWDRDYELRMHH-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO N#Cc1cc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)ccn1 ZINC000610991766 1025225089 /nfs/dbraw/zinc/22/50/89/1025225089.db2.gz PDUJCGWQHLNEPW-QFIPXVFZSA-N 1 1 325.415 4.101 20 30 EIEDMO C=CC[N@@H+](C)Cc1c(OC)cc(C(F)(F)F)cc1C(F)(F)F ZINC001143425055 1025439207 /nfs/dbraw/zinc/43/92/07/1025439207.db2.gz CPFYGOZHMQEXLB-UHFFFAOYSA-N 1 1 327.268 4.351 20 30 EIEDMO C=CC[N@H+](C)Cc1c(OC)cc(C(F)(F)F)cc1C(F)(F)F ZINC001143425055 1025439221 /nfs/dbraw/zinc/43/92/21/1025439221.db2.gz CPFYGOZHMQEXLB-UHFFFAOYSA-N 1 1 327.268 4.351 20 30 EIEDMO C[C@H]([NH2+]Cc1ccsc1Br)c1ccc(C#N)c(F)c1 ZINC000511011528 1025488597 /nfs/dbraw/zinc/48/85/97/1025488597.db2.gz FSKWDMITZPZNLM-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000569168299 1025603282 /nfs/dbraw/zinc/60/32/82/1025603282.db2.gz PEHOXJRJBCWZTR-JOCHJYFZSA-N 1 1 334.463 4.210 20 30 EIEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C)cc1 ZINC000611565454 1025613067 /nfs/dbraw/zinc/61/30/67/1025613067.db2.gz GKEPVFKHCAQPJA-UHFFFAOYSA-N 1 1 349.478 4.154 20 30 EIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)c1ccccc1 ZINC000585754627 1025823668 /nfs/dbraw/zinc/82/36/68/1025823668.db2.gz TUYKMDJVIIHZHG-UHFFFAOYSA-N 1 1 341.842 4.017 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1cccc(C#N)c1 ZINC000512066068 1025874971 /nfs/dbraw/zinc/87/49/71/1025874971.db2.gz CJHUJKISRLPOMW-UHFFFAOYSA-N 1 1 336.483 4.315 20 30 EIEDMO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1cccc(C#N)c1 ZINC000512066068 1025874975 /nfs/dbraw/zinc/87/49/75/1025874975.db2.gz CJHUJKISRLPOMW-UHFFFAOYSA-N 1 1 336.483 4.315 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(F)c(C#N)c1 ZINC000119712972 1025889294 /nfs/dbraw/zinc/88/92/94/1025889294.db2.gz MXARVRYTBXUYRF-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551449630 1026187748 /nfs/dbraw/zinc/18/77/48/1026187748.db2.gz YDNJSQMDYCGMSA-OAQYLSRUSA-N 1 1 336.410 4.168 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551449630 1026187753 /nfs/dbraw/zinc/18/77/53/1026187753.db2.gz YDNJSQMDYCGMSA-OAQYLSRUSA-N 1 1 336.410 4.168 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000303740929 1026190654 /nfs/dbraw/zinc/19/06/54/1026190654.db2.gz ZCGWTEPUJJCHJG-HNNXBMFYSA-N 1 1 348.475 4.051 20 30 EIEDMO O[C@@H](c1ccccc1)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000134964213 1026198595 /nfs/dbraw/zinc/19/85/95/1026198595.db2.gz RMMYCGMPYMTXIK-NRFANRHFSA-N 1 1 339.866 4.137 20 30 EIEDMO Fc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143442147 1026313088 /nfs/dbraw/zinc/31/30/88/1026313088.db2.gz GBTDJTBCTUAWKY-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143442147 1026313104 /nfs/dbraw/zinc/31/31/04/1026313104.db2.gz GBTDJTBCTUAWKY-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000342482685 1026424124 /nfs/dbraw/zinc/42/41/24/1026424124.db2.gz QSRVVPOJHIAGDI-HXUWFJFHSA-N 1 1 336.435 4.039 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512291275 1026654273 /nfs/dbraw/zinc/65/42/73/1026654273.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 1 1 339.527 4.304 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512291275 1026654279 /nfs/dbraw/zinc/65/42/79/1026654279.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 1 1 339.527 4.304 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000563366097 1026692468 /nfs/dbraw/zinc/69/24/68/1026692468.db2.gz IKKWHOXSZCDYCC-OAHLLOKOSA-N 1 1 333.501 4.140 20 30 EIEDMO CCCCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000507232236 1026715957 /nfs/dbraw/zinc/71/59/57/1026715957.db2.gz RYXWMRNGPLHALR-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000277655467 1026726992 /nfs/dbraw/zinc/72/69/92/1026726992.db2.gz IORDIUHESASCAA-MOPGFXCFSA-N 1 1 332.463 4.434 20 30 EIEDMO CN(C)CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000507643984 1026863562 /nfs/dbraw/zinc/86/35/62/1026863562.db2.gz JTFQOOASCBOWGM-FUHYEJFZSA-N 1 1 341.543 4.347 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000507715550 1026885097 /nfs/dbraw/zinc/88/50/97/1026885097.db2.gz RJQLSORVVHVALI-QGZVFWFLSA-N 1 1 348.874 4.023 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC000519703862 1026951737 /nfs/dbraw/zinc/95/17/37/1026951737.db2.gz LHQYILSPCRPMOQ-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000519749036 1026976164 /nfs/dbraw/zinc/97/61/64/1026976164.db2.gz CWQVTQBTRHTBMV-FPOVZHCZSA-N 1 1 347.462 4.155 20 30 EIEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000075645365 1027055468 /nfs/dbraw/zinc/05/54/68/1027055468.db2.gz BKVJTCULZGPSCB-UHFFFAOYSA-N 1 1 338.455 4.401 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000441005336 1027184010 /nfs/dbraw/zinc/18/40/10/1027184010.db2.gz SXWCZRFMEDEOON-KRWDZBQOSA-N 1 1 328.456 4.206 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000441005336 1027184017 /nfs/dbraw/zinc/18/40/17/1027184017.db2.gz SXWCZRFMEDEOON-KRWDZBQOSA-N 1 1 328.456 4.206 20 30 EIEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000441051049 1027220054 /nfs/dbraw/zinc/22/00/54/1027220054.db2.gz PVVBKCKQIQUJGZ-HRAATJIYSA-N 1 1 334.463 4.312 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000185464881 1027225905 /nfs/dbraw/zinc/22/59/05/1027225905.db2.gz FQAVZBYRYIKNOQ-HZPDHXFCSA-N 1 1 325.481 4.060 20 30 EIEDMO C[C@H](c1ccsc1)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000185464881 1027225927 /nfs/dbraw/zinc/22/59/27/1027225927.db2.gz FQAVZBYRYIKNOQ-HZPDHXFCSA-N 1 1 325.481 4.060 20 30 EIEDMO Clc1ccccc1C#CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000441179754 1027331166 /nfs/dbraw/zinc/33/11/66/1027331166.db2.gz VNYCKVOZZLGYHY-UHFFFAOYSA-N 1 1 331.887 4.363 20 30 EIEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000523087585 1027486273 /nfs/dbraw/zinc/48/62/73/1027486273.db2.gz OGBNTROQUQHPRA-UHFFFAOYSA-N 1 1 337.389 4.032 20 30 EIEDMO C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141893949 1027501221 /nfs/dbraw/zinc/50/12/21/1027501221.db2.gz DGXCSCQLTRBXFF-OAHLLOKOSA-N 1 1 325.225 4.035 20 30 EIEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141893949 1027501229 /nfs/dbraw/zinc/50/12/29/1027501229.db2.gz DGXCSCQLTRBXFF-OAHLLOKOSA-N 1 1 325.225 4.035 20 30 EIEDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000329149764 1027611799 /nfs/dbraw/zinc/61/17/99/1027611799.db2.gz QXHSCDOOVBIOTM-LSDHHAIUSA-N 1 1 346.471 4.192 20 30 EIEDMO O=C(Nc1nc(C2CCOCC2)cs1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329172260 1027622731 /nfs/dbraw/zinc/62/27/31/1027622731.db2.gz AFBUBSUNXDCFGM-MRXNPFEDSA-N 1 1 349.500 4.032 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@](C)(OC)CC2)ccc1OC ZINC000475565454 1027646871 /nfs/dbraw/zinc/64/68/71/1027646871.db2.gz PSYDQOAJIGAJDQ-FQEVSTJZSA-N 1 1 333.472 4.041 20 30 EIEDMO CCOc1cc2c(cc1NC(=O)CC[C@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000329252425 1027669628 /nfs/dbraw/zinc/66/96/28/1027669628.db2.gz VLMOPRPGQSWOLY-GOEBONIOSA-N 1 1 346.471 4.261 20 30 EIEDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258954 1027675269 /nfs/dbraw/zinc/67/52/69/1027675269.db2.gz AILBLVLZBRSSSL-HZPDHXFCSA-N 1 1 347.484 4.060 20 30 EIEDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258954 1027675287 /nfs/dbraw/zinc/67/52/87/1027675287.db2.gz AILBLVLZBRSSSL-HZPDHXFCSA-N 1 1 347.484 4.060 20 30 EIEDMO O=C(NCc1nccs1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329342817 1027738934 /nfs/dbraw/zinc/73/89/34/1027738934.db2.gz BYTXYXZYIRNDDC-CQSZACIVSA-N 1 1 344.484 4.106 20 30 EIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328742771 1027801258 /nfs/dbraw/zinc/80/12/58/1027801258.db2.gz JRNCTZMPYJCSKI-HNNXBMFYSA-N 1 1 333.476 4.005 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(O)cc(C)cc1Cl ZINC000840948538 1027809859 /nfs/dbraw/zinc/80/98/59/1027809859.db2.gz VMZRSONMTFVAOX-UHFFFAOYSA-N 1 1 335.831 4.018 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(O)cc(C)cc1Cl ZINC000840948538 1027809863 /nfs/dbraw/zinc/80/98/63/1027809863.db2.gz VMZRSONMTFVAOX-UHFFFAOYSA-N 1 1 335.831 4.018 20 30 EIEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000573136581 1027842171 /nfs/dbraw/zinc/84/21/71/1027842171.db2.gz FUCWBCZZVUSHSE-KRWDZBQOSA-N 1 1 349.478 4.075 20 30 EIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCC(C)(C)C#N ZINC000444642060 1027937482 /nfs/dbraw/zinc/93/74/82/1027937482.db2.gz QKQLVVPAVHOKDX-IBGZPJMESA-N 1 1 346.563 4.433 20 30 EIEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000444642060 1027937489 /nfs/dbraw/zinc/93/74/89/1027937489.db2.gz QKQLVVPAVHOKDX-IBGZPJMESA-N 1 1 346.563 4.433 20 30 EIEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444642060 1027937501 /nfs/dbraw/zinc/93/75/01/1027937501.db2.gz QKQLVVPAVHOKDX-IBGZPJMESA-N 1 1 346.563 4.433 20 30 EIEDMO C[N@@H+](CC[C@H]1CCCO1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444688332 1027973721 /nfs/dbraw/zinc/97/37/21/1027973721.db2.gz JDUNUOPVBHEXCZ-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428311657 1028030710 /nfs/dbraw/zinc/03/07/10/1028030710.db2.gz RNIPOEFHQFNYSO-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO CCc1ccc2c(c1)[C@H](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)N2 ZINC000329915094 1028155947 /nfs/dbraw/zinc/15/59/47/1028155947.db2.gz YEHHCLQSPMPASY-LZWOXQAQSA-N 1 1 343.471 4.154 20 30 EIEDMO N#CC[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000330007559 1028181400 /nfs/dbraw/zinc/18/14/00/1028181400.db2.gz DQMNZYFLJOZUMD-QZTJIDSGSA-N 1 1 325.456 4.047 20 30 EIEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000523557790 1028213888 /nfs/dbraw/zinc/21/38/88/1028213888.db2.gz AQAWRVMPHHPNDU-KRWDZBQOSA-N 1 1 334.529 4.262 20 30 EIEDMO O=C(Nc1csc(-c2ccncc2)n1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000330289001 1028249193 /nfs/dbraw/zinc/24/91/93/1028249193.db2.gz DLZWKUOSYVNNFV-OAHLLOKOSA-N 1 1 342.468 4.200 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC=C)cc1OCC ZINC000428389487 1028300023 /nfs/dbraw/zinc/30/00/23/1028300023.db2.gz ZUKOODUHAKAPBZ-UHFFFAOYSA-N 1 1 340.261 4.030 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000155145788 1028358846 /nfs/dbraw/zinc/35/88/46/1028358846.db2.gz AHDQXSYVDIRTKL-IIBYNOLFSA-N 1 1 336.435 4.323 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000443982934 1028686610 /nfs/dbraw/zinc/68/66/10/1028686610.db2.gz BUVAILHHPLFDBL-CYBMUJFWSA-N 1 1 325.359 4.297 20 30 EIEDMO CCc1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000444034840 1028753621 /nfs/dbraw/zinc/75/36/21/1028753621.db2.gz ITFARWMQFHWEEJ-UHFFFAOYSA-N 1 1 347.462 4.114 20 30 EIEDMO C=CCC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246165241 1029000497 /nfs/dbraw/zinc/00/04/97/1029000497.db2.gz GUNCACLFVRUBKI-UYAOXDASSA-N 1 1 343.515 4.067 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000522871581 1029053730 /nfs/dbraw/zinc/05/37/30/1029053730.db2.gz MJZAXSYSOCZODM-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000522871581 1029053747 /nfs/dbraw/zinc/05/37/47/1029053747.db2.gz MJZAXSYSOCZODM-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO Cc1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)ccc1C#N ZINC000583715334 1029073069 /nfs/dbraw/zinc/07/30/69/1029073069.db2.gz DFDGCLAQJYINSU-UHFFFAOYSA-N 1 1 340.295 4.454 20 30 EIEDMO Cc1ccnc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000343482347 1029341743 /nfs/dbraw/zinc/34/17/43/1029341743.db2.gz WIECOMMXSJSGHY-MRXNPFEDSA-N 1 1 334.467 4.106 20 30 EIEDMO C[C@@H]1CC([N@H+]2CCC[C@@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058785 1029371837 /nfs/dbraw/zinc/37/18/37/1029371837.db2.gz CFNZOZZOPUYCDT-GGPKGHCWSA-N 1 1 325.500 4.054 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1OC ZINC000475288008 1029501596 /nfs/dbraw/zinc/50/15/96/1029501596.db2.gz QHJDFKPSCQRLTC-UKRRQHHQSA-N 1 1 343.389 4.423 20 30 EIEDMO CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000540822183 1029525695 /nfs/dbraw/zinc/52/56/95/1029525695.db2.gz UIKIVAQRLRHAPD-MRXNPFEDSA-N 1 1 348.450 4.087 20 30 EIEDMO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000523018143 1029570434 /nfs/dbraw/zinc/57/04/34/1029570434.db2.gz CVQYZPXVJNGSLT-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000446797499 1029574891 /nfs/dbraw/zinc/57/48/91/1029574891.db2.gz RCQFAAHTVYYMKD-TZMCWYRMSA-N 1 1 336.277 4.005 20 30 EIEDMO C[C@@H]1CC([NH+]2CCC(C)(C#N)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168064701 1029635067 /nfs/dbraw/zinc/63/50/67/1029635067.db2.gz RIZGQAGXZDUDCP-QZTJIDSGSA-N 1 1 325.500 4.054 20 30 EIEDMO C[C@@H]1CC(N2CCC(C)(C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064701 1029635073 /nfs/dbraw/zinc/63/50/73/1029635073.db2.gz RIZGQAGXZDUDCP-QZTJIDSGSA-N 1 1 325.500 4.054 20 30 EIEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000447076037 1029687674 /nfs/dbraw/zinc/68/76/74/1029687674.db2.gz GDTRLOBKDCLXBI-FQEVSTJZSA-N 1 1 330.472 4.150 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000181576008 1029900997 /nfs/dbraw/zinc/90/09/97/1029900997.db2.gz ROEHAZHKFRGEIW-COPCDDAFSA-N 1 1 333.479 4.142 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000181576008 1029901017 /nfs/dbraw/zinc/90/10/17/1029901017.db2.gz ROEHAZHKFRGEIW-COPCDDAFSA-N 1 1 333.479 4.142 20 30 EIEDMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]CC(C)(C)CCC#N ZINC000092138829 1029902219 /nfs/dbraw/zinc/90/22/19/1029902219.db2.gz NWAFAMQCHDOZCR-UHFFFAOYSA-N 1 1 345.487 4.052 20 30 EIEDMO C=CCC1(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)CCCCC1 ZINC000450828322 1030019387 /nfs/dbraw/zinc/01/93/87/1030019387.db2.gz JXBXKBTVOQBVBK-KRWDZBQOSA-N 1 1 341.499 4.062 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000184092011 1030051393 /nfs/dbraw/zinc/05/13/93/1030051393.db2.gz XPLTZDQPIHNLGT-LJQANCHMSA-N 1 1 330.435 4.321 20 30 EIEDMO CC1(c2nc3ccccc3s2)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450976849 1030130820 /nfs/dbraw/zinc/13/08/20/1030130820.db2.gz RIBBPCSXWGVWAT-UHFFFAOYSA-N 1 1 325.481 4.344 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067025 1030244658 /nfs/dbraw/zinc/24/46/58/1030244658.db2.gz MPRYHIBKPJCHIT-KRWDZBQOSA-N 1 1 325.481 4.281 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC4(CCC[N@H+]4C)CC3)c2c1 ZINC000447690623 1030277805 /nfs/dbraw/zinc/27/78/05/1030277805.db2.gz YWCCGFCQIFTRSI-UHFFFAOYSA-N 1 1 348.494 4.294 20 30 EIEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845695 1030357016 /nfs/dbraw/zinc/35/70/16/1030357016.db2.gz UDXGKXVMSDYEFQ-LAUBAEHRSA-N 1 1 334.463 4.351 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000530405596 1030379226 /nfs/dbraw/zinc/37/92/26/1030379226.db2.gz JZEIQIBBLQKPBN-UHFFFAOYSA-N 1 1 337.467 4.253 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000451316135 1030391225 /nfs/dbraw/zinc/39/12/25/1030391225.db2.gz AGHRFZHNTJIRBR-HXUWFJFHSA-N 1 1 340.511 4.151 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451333024 1030412913 /nfs/dbraw/zinc/41/29/13/1030412913.db2.gz AKDLZRXFGZKJBD-RLLQIKCJSA-N 1 1 326.484 4.003 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451333025 1030413720 /nfs/dbraw/zinc/41/37/20/1030413720.db2.gz AKDLZRXFGZKJBD-SXLOBPIMSA-N 1 1 326.484 4.003 20 30 EIEDMO CC[N@H+](Cc1cccs1)Cc1ccc(Br)cc1C#N ZINC000389400011 1030617911 /nfs/dbraw/zinc/61/79/11/1030617911.db2.gz IMWJYEOPZQLTRI-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(Br)cc1C#N ZINC000389400011 1030617923 /nfs/dbraw/zinc/61/79/23/1030617923.db2.gz IMWJYEOPZQLTRI-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000451696646 1030651139 /nfs/dbraw/zinc/65/11/39/1030651139.db2.gz POTOGSAUDFDRQJ-FCEUIQTBSA-N 1 1 346.474 4.208 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366540 1030656341 /nfs/dbraw/zinc/65/63/41/1030656341.db2.gz RSXIZFHFAOKDJX-RBUKOAKNSA-N 1 1 348.475 4.410 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366540 1030656349 /nfs/dbraw/zinc/65/63/49/1030656349.db2.gz RSXIZFHFAOKDJX-RBUKOAKNSA-N 1 1 348.475 4.410 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1OC ZINC000116382971 1030810312 /nfs/dbraw/zinc/81/03/12/1030810312.db2.gz SPGXETDSQOIMEY-UHFFFAOYSA-N 1 1 332.469 4.050 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000530961088 1030816595 /nfs/dbraw/zinc/81/65/95/1030816595.db2.gz KKLKVCOSEKBJKX-UHFFFAOYSA-N 1 1 333.460 4.090 20 30 EIEDMO C[NH+](C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810204 1030856514 /nfs/dbraw/zinc/85/65/14/1030856514.db2.gz OUTPRFYTMHDBSY-GOSISDBHSA-N 1 1 348.277 4.258 20 30 EIEDMO C[NH+](C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811421 1030856745 /nfs/dbraw/zinc/85/67/45/1030856745.db2.gz SLNBCXLYBBHNIW-GOSISDBHSA-N 1 1 348.277 4.258 20 30 EIEDMO N#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876932 /nfs/dbraw/zinc/87/69/32/1030876932.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 1 1 345.490 4.046 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000531103744 1030876951 /nfs/dbraw/zinc/87/69/51/1030876951.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 1 1 345.490 4.046 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000531103744 1030876954 /nfs/dbraw/zinc/87/69/54/1030876954.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 1 1 345.490 4.046 20 30 EIEDMO Cc1cc(N2CCC[C@@](C)(C#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000612108439 1030880043 /nfs/dbraw/zinc/88/00/43/1030880043.db2.gz NSOWMFFUWYSYQO-SFHVURJKSA-N 1 1 331.366 4.275 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000532489217 1031221147 /nfs/dbraw/zinc/22/11/47/1031221147.db2.gz QBGARZYVFOAZSC-GJZGRUSLSA-N 1 1 347.528 4.386 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000532571895 1031302991 /nfs/dbraw/zinc/30/29/91/1031302991.db2.gz DRWZGVJLZFMMLJ-FQEVSTJZSA-N 1 1 344.499 4.037 20 30 EIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532575217 1031305881 /nfs/dbraw/zinc/30/58/81/1031305881.db2.gz BDIAHHQNZJLZHW-INIZCTEOSA-N 1 1 333.501 4.239 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532575286 1031309124 /nfs/dbraw/zinc/30/91/24/1031309124.db2.gz BDIAHHQNZJLZHW-MRXNPFEDSA-N 1 1 333.501 4.239 20 30 EIEDMO C=CCCC[N@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000532580160 1031315376 /nfs/dbraw/zinc/31/53/76/1031315376.db2.gz GRHNLKBSQPZXID-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C#N)cc1F ZINC000531587562 1031406810 /nfs/dbraw/zinc/40/68/10/1031406810.db2.gz OKINEDVGMXFCCO-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C#N)cc1F ZINC000531587562 1031406816 /nfs/dbraw/zinc/40/68/16/1031406816.db2.gz OKINEDVGMXFCCO-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179897824 1031571057 /nfs/dbraw/zinc/57/10/57/1031571057.db2.gz SAMGOYCVDKIBSL-NRFANRHFSA-N 1 1 342.446 4.296 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000612588279 1031683054 /nfs/dbraw/zinc/68/30/54/1031683054.db2.gz XQURDGGRZXJBST-UHFFFAOYSA-N 1 1 343.358 4.166 20 30 EIEDMO Cc1nc(COc2ccc(C[N@H+](CCC#N)CC3CC3)cc2)cs1 ZINC000119089955 1031745339 /nfs/dbraw/zinc/74/53/39/1031745339.db2.gz OEJHFIHCTHBUJS-UHFFFAOYSA-N 1 1 341.480 4.156 20 30 EIEDMO Cc1nc(COc2ccc(C[N@@H+](CCC#N)CC3CC3)cc2)cs1 ZINC000119089955 1031745348 /nfs/dbraw/zinc/74/53/48/1031745348.db2.gz OEJHFIHCTHBUJS-UHFFFAOYSA-N 1 1 341.480 4.156 20 30 EIEDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000459311649 1031779400 /nfs/dbraw/zinc/77/94/00/1031779400.db2.gz YDGZYYWCJLSNEN-UHFFFAOYSA-N 1 1 336.464 4.085 20 30 EIEDMO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000459311649 1031779416 /nfs/dbraw/zinc/77/94/16/1031779416.db2.gz YDGZYYWCJLSNEN-UHFFFAOYSA-N 1 1 336.464 4.085 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000508664947 1031811271 /nfs/dbraw/zinc/81/12/71/1031811271.db2.gz KQWMJAYVDQMUEE-APWZRJJASA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896423 /nfs/dbraw/zinc/89/64/23/1031896423.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 1 1 345.490 4.045 20 30 EIEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccccc1OC ZINC000508609842 1031913449 /nfs/dbraw/zinc/91/34/49/1031913449.db2.gz SSFVWIZHUXZMKD-MRXNPFEDSA-N 1 1 348.450 4.188 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531975696 1031914154 /nfs/dbraw/zinc/91/41/54/1031914154.db2.gz QYTGYIXUQJOTOO-GFCCVEGCSA-N 1 1 343.334 4.202 20 30 EIEDMO N#CCc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000449697233 1031935224 /nfs/dbraw/zinc/93/52/24/1031935224.db2.gz LDDUJAHJDMBALN-BAGYTPMASA-N 1 1 331.463 4.075 20 30 EIEDMO COc1ccc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)sc2c1 ZINC000186796288 1031978274 /nfs/dbraw/zinc/97/82/74/1031978274.db2.gz XFBWJKJHOJYMQL-UHFFFAOYSA-N 1 1 349.459 4.341 20 30 EIEDMO COc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)sc2c1 ZINC000186796288 1031978280 /nfs/dbraw/zinc/97/82/80/1031978280.db2.gz XFBWJKJHOJYMQL-UHFFFAOYSA-N 1 1 349.459 4.341 20 30 EIEDMO C=CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000532695611 1032042053 /nfs/dbraw/zinc/04/20/53/1032042053.db2.gz VSZKFSQQRYJSAX-HNNXBMFYSA-N 1 1 327.255 4.363 20 30 EIEDMO C=CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000532695611 1032042079 /nfs/dbraw/zinc/04/20/79/1032042079.db2.gz VSZKFSQQRYJSAX-HNNXBMFYSA-N 1 1 327.255 4.363 20 30 EIEDMO C[C@@]12CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C[C@@H]1C2(F)F ZINC000428732434 1033362702 /nfs/dbraw/zinc/36/27/02/1033362702.db2.gz NCIJSLRTQFEOJU-QWHCGFSZSA-N 1 1 341.270 4.461 20 30 EIEDMO C[C@@]12CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C[C@@H]1C2(F)F ZINC000428732434 1033362707 /nfs/dbraw/zinc/36/27/07/1033362707.db2.gz NCIJSLRTQFEOJU-QWHCGFSZSA-N 1 1 341.270 4.461 20 30 EIEDMO Cc1nc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)nc2ccccc12 ZINC000573626786 1033411239 /nfs/dbraw/zinc/41/12/39/1033411239.db2.gz SYENHIDCYUOFRK-FQEVSTJZSA-N 1 1 342.446 4.367 20 30 EIEDMO CCC[N@H+](Cc1csc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000894100675 1033502706 /nfs/dbraw/zinc/50/27/06/1033502706.db2.gz JWEPKYCSQMLKQH-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000894100675 1033502722 /nfs/dbraw/zinc/50/27/22/1033502722.db2.gz JWEPKYCSQMLKQH-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000614159575 1033529363 /nfs/dbraw/zinc/52/93/63/1033529363.db2.gz GHIXZMJGOXKUSJ-HXUWFJFHSA-N 1 1 338.426 4.200 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000614159575 1033529383 /nfs/dbraw/zinc/52/93/83/1033529383.db2.gz GHIXZMJGOXKUSJ-HXUWFJFHSA-N 1 1 338.426 4.200 20 30 EIEDMO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512631089 1033552098 /nfs/dbraw/zinc/55/20/98/1033552098.db2.gz PROFSWKQYFMSGI-MRFFXTKBSA-N 1 1 342.389 4.407 20 30 EIEDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000512637820 1033567565 /nfs/dbraw/zinc/56/75/65/1033567565.db2.gz ZMEYGMLDKPVHRK-STQMWFEESA-N 1 1 327.359 4.326 20 30 EIEDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636179 1033575489 /nfs/dbraw/zinc/57/54/89/1033575489.db2.gz KECGDULGXUAWDL-INIZCTEOSA-N 1 1 339.458 4.390 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000614171317 1033582217 /nfs/dbraw/zinc/58/22/17/1033582217.db2.gz JKCODCQXCNMJKM-QFIPXVFZSA-N 1 1 334.463 4.235 20 30 EIEDMO C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649500 1033605463 /nfs/dbraw/zinc/60/54/63/1033605463.db2.gz SGFNFMLVBGUXFL-APWZRJJASA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649500 1033605479 /nfs/dbraw/zinc/60/54/79/1033605479.db2.gz SGFNFMLVBGUXFL-APWZRJJASA-N 1 1 337.442 4.013 20 30 EIEDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512655336 1033630840 /nfs/dbraw/zinc/63/08/40/1033630840.db2.gz TUPDJGPMPUUTMB-INIZCTEOSA-N 1 1 339.458 4.390 20 30 EIEDMO C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666373 1033658714 /nfs/dbraw/zinc/65/87/14/1033658714.db2.gz KFCLFVRTQPUUEI-KDOFPFPSSA-N 1 1 343.471 4.247 20 30 EIEDMO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669095 1033670761 /nfs/dbraw/zinc/67/07/61/1033670761.db2.gz YQELZHMIYIXYLJ-IERDGZPVSA-N 1 1 339.458 4.431 20 30 EIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411156346 1033703410 /nfs/dbraw/zinc/70/34/10/1033703410.db2.gz KHRGWHWWTDRYJS-QGZVFWFLSA-N 1 1 337.471 4.124 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411366760 1033855333 /nfs/dbraw/zinc/85/53/33/1033855333.db2.gz PYYFZFXFKHZQNF-DZGCQCFKSA-N 1 1 344.846 4.262 20 30 EIEDMO Cc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000433208072 1034057807 /nfs/dbraw/zinc/05/78/07/1034057807.db2.gz SWFASSPTKLRLTC-IBGZPJMESA-N 1 1 333.479 4.136 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(C)(C)C#N ZINC000433297873 1034191356 /nfs/dbraw/zinc/19/13/56/1034191356.db2.gz XKISYSVSZMIAMC-MRXNPFEDSA-N 1 1 335.451 4.481 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433297873 1034191364 /nfs/dbraw/zinc/19/13/64/1034191364.db2.gz XKISYSVSZMIAMC-MRXNPFEDSA-N 1 1 335.451 4.481 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000433299883 1034192609 /nfs/dbraw/zinc/19/26/09/1034192609.db2.gz RUGBXNQFPPHFJU-QGZVFWFLSA-N 1 1 332.875 4.230 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000614396883 1034537318 /nfs/dbraw/zinc/53/73/18/1034537318.db2.gz XGWPSPOQHRSXMQ-YADHBBJMSA-N 1 1 334.463 4.466 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000614401995 1034545886 /nfs/dbraw/zinc/54/58/86/1034545886.db2.gz GSTYJMNMDMHIDX-CHWSQXEVSA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C#N)cc4C)C3)nc2c1 ZINC000614403240 1034549998 /nfs/dbraw/zinc/54/99/98/1034549998.db2.gz MVNHNHRJZGMAMR-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C#N)cc4C)C3)[nH]c2c1 ZINC000614403240 1034550008 /nfs/dbraw/zinc/55/00/08/1034550008.db2.gz MVNHNHRJZGMAMR-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C#N)cc4C)C3)[nH]c2c1 ZINC000614403240 1034550036 /nfs/dbraw/zinc/55/00/36/1034550036.db2.gz MVNHNHRJZGMAMR-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000614403132 1034551870 /nfs/dbraw/zinc/55/18/70/1034551870.db2.gz GJZIGBGHTBFFIQ-UHFFFAOYSA-N 1 1 349.261 4.168 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000614403686 1034552111 /nfs/dbraw/zinc/55/21/11/1034552111.db2.gz PUMNFOALVJHPSH-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000614403686 1034552120 /nfs/dbraw/zinc/55/21/20/1034552120.db2.gz PUMNFOALVJHPSH-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000086281774 1034649445 /nfs/dbraw/zinc/64/94/45/1034649445.db2.gz WALGCKQNRDMLMA-HNNXBMFYSA-N 1 1 344.418 4.045 20 30 EIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267274 1034767525 /nfs/dbraw/zinc/76/75/25/1034767525.db2.gz OYVFNTNEROJFIB-FOIQADDNSA-N 1 1 336.435 4.470 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000729267387 1034767854 /nfs/dbraw/zinc/76/78/54/1034767854.db2.gz UBAQPBBAIVWQLE-QGZVFWFLSA-N 1 1 347.418 4.110 20 30 EIEDMO COc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513354036 1034889158 /nfs/dbraw/zinc/88/91/58/1034889158.db2.gz YHKBTCHIOOGMQD-QFBILLFUSA-N 1 1 335.451 4.032 20 30 EIEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000467287881 1035028611 /nfs/dbraw/zinc/02/86/11/1035028611.db2.gz KZJPTIAQYBVEPT-HXUWFJFHSA-N 1 1 342.508 4.024 20 30 EIEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000664212316 1035066291 /nfs/dbraw/zinc/06/62/91/1035066291.db2.gz IJCIOZYQJJIMPP-DOTOQJQBSA-N 1 1 349.544 4.175 20 30 EIEDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000595022507 1035510960 /nfs/dbraw/zinc/51/09/60/1035510960.db2.gz MEOONAQZRNQDQX-RDTXWAMCSA-N 1 1 339.395 4.299 20 30 EIEDMO N#CC1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCCCC1 ZINC000594993739 1035519319 /nfs/dbraw/zinc/51/93/19/1035519319.db2.gz GGBSPQVMWGLXOJ-UHFFFAOYSA-N 1 1 342.874 4.148 20 30 EIEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1[N+](=O)[O-] ZINC000595091647 1035598861 /nfs/dbraw/zinc/59/88/61/1035598861.db2.gz SOXHZBQYRUNYOX-CQSZACIVSA-N 1 1 331.416 4.118 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000595299026 1035625329 /nfs/dbraw/zinc/62/53/29/1035625329.db2.gz VEVBEYOZLIONPF-YADHBBJMSA-N 1 1 334.463 4.200 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000595503850 1035688346 /nfs/dbraw/zinc/68/83/46/1035688346.db2.gz WYMKMRUWCOJMBY-INIZCTEOSA-N 1 1 345.368 4.352 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000575131192 1035710423 /nfs/dbraw/zinc/71/04/23/1035710423.db2.gz XTBNMFFQPDAWRK-ZDUSSCGKSA-N 1 1 348.899 4.149 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619408 1035735757 /nfs/dbraw/zinc/73/57/57/1035735757.db2.gz AGBXNTUVUMLKAZ-SUMWQHHRSA-N 1 1 333.273 4.452 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595613294 1035748746 /nfs/dbraw/zinc/74/87/46/1035748746.db2.gz ACFHCQPPTSGEFS-AWEZNQCLSA-N 1 1 326.362 4.100 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616082 1035749753 /nfs/dbraw/zinc/74/97/53/1035749753.db2.gz OVLRDGFMTFHLGT-MSOLQXFVSA-N 1 1 347.462 4.306 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616082 1035749775 /nfs/dbraw/zinc/74/97/75/1035749775.db2.gz OVLRDGFMTFHLGT-MSOLQXFVSA-N 1 1 347.462 4.306 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000595615127 1035752601 /nfs/dbraw/zinc/75/26/01/1035752601.db2.gz PAHYAUKPZWXDJH-HNNXBMFYSA-N 1 1 340.389 4.490 20 30 EIEDMO CCOc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)cc1 ZINC000237113116 1035767819 /nfs/dbraw/zinc/76/78/19/1035767819.db2.gz PJNNPAJOJXVOAF-NRFANRHFSA-N 1 1 332.403 4.429 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000595742203 1035783016 /nfs/dbraw/zinc/78/30/16/1035783016.db2.gz XPIZSVGLZDQOLE-GOSISDBHSA-N 1 1 336.439 4.010 20 30 EIEDMO C[C@@H](C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000491182559 1035817057 /nfs/dbraw/zinc/81/70/57/1035817057.db2.gz LQTMOAVRYUHVFD-KRWDZBQOSA-N 1 1 344.462 4.194 20 30 EIEDMO CCC(CC)C[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502047836 1035823855 /nfs/dbraw/zinc/82/38/55/1035823855.db2.gz FCWGUIBALCLGDR-UHFFFAOYSA-N 1 1 343.515 4.308 20 30 EIEDMO N#CC[C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000596332480 1035855235 /nfs/dbraw/zinc/85/52/35/1035855235.db2.gz ZHJIXAPJHLEBKX-GFCCVEGCSA-N 1 1 330.229 4.127 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000420938776 1035880080 /nfs/dbraw/zinc/88/00/80/1035880080.db2.gz BBRONVYMCJUIFC-GFCCVEGCSA-N 1 1 348.315 4.324 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000420938776 1035880083 /nfs/dbraw/zinc/88/00/83/1035880083.db2.gz BBRONVYMCJUIFC-GFCCVEGCSA-N 1 1 348.315 4.324 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC34CCCCCC4)o2)cc1 ZINC000366729439 1035885522 /nfs/dbraw/zinc/88/55/22/1035885522.db2.gz CAERBSDTRFAEMJ-UHFFFAOYSA-N 1 1 336.439 4.297 20 30 EIEDMO C=CCSc1ccccc1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000485477306 1035912270 /nfs/dbraw/zinc/91/22/70/1035912270.db2.gz GWMFNTUYIDFJEE-BBWFWOEESA-N 1 1 346.540 4.061 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000513736690 1035928450 /nfs/dbraw/zinc/92/84/50/1035928450.db2.gz IZCPYPPPFIWBHA-UHFFFAOYSA-N 1 1 330.472 4.412 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000513736690 1035928474 /nfs/dbraw/zinc/92/84/74/1035928474.db2.gz IZCPYPPPFIWBHA-UHFFFAOYSA-N 1 1 330.472 4.412 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1Br ZINC000222044220 1035957410 /nfs/dbraw/zinc/95/74/10/1035957410.db2.gz AOCAJLOSWUQNBN-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)cc2)CC1 ZINC000597014654 1036069369 /nfs/dbraw/zinc/06/93/69/1036069369.db2.gz SUMDAGSHJHTSAQ-NRFANRHFSA-N 1 1 346.474 4.280 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596997110 1036071833 /nfs/dbraw/zinc/07/18/33/1036071833.db2.gz OXKXEIPLZNGIFA-UEXGIBASSA-N 1 1 337.511 4.079 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596997107 1036072098 /nfs/dbraw/zinc/07/20/98/1036072098.db2.gz OXKXEIPLZNGIFA-LVCYWYKZSA-N 1 1 337.511 4.079 20 30 EIEDMO C=CCc1cc(C[N@H+](CC)[C@H](CC)c2ccncc2)c(O)c(OC)c1 ZINC000164400456 1036076748 /nfs/dbraw/zinc/07/67/48/1036076748.db2.gz GZOQTCYNNRAEJI-LJQANCHMSA-N 1 1 340.467 4.498 20 30 EIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000597075778 1036094518 /nfs/dbraw/zinc/09/45/18/1036094518.db2.gz YBOJYISDYNWJCL-UHFFFAOYSA-N 1 1 330.353 4.291 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)cc2)CC1 ZINC000597088831 1036101853 /nfs/dbraw/zinc/10/18/53/1036101853.db2.gz RXNXOSHWGBKFNK-HSZRJFAPSA-N 1 1 344.458 4.263 20 30 EIEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175112 1036141709 /nfs/dbraw/zinc/14/17/09/1036141709.db2.gz WRUNFIJJSONUBR-INIZCTEOSA-N 1 1 342.874 4.268 20 30 EIEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2(C#N)CCCCC2)c1 ZINC000597207890 1036152992 /nfs/dbraw/zinc/15/29/92/1036152992.db2.gz WNPOHDQKAJECOC-UHFFFAOYSA-N 1 1 341.499 4.007 20 30 EIEDMO Cc1cc([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(O)cc1Cl ZINC000597223884 1036169644 /nfs/dbraw/zinc/16/96/44/1036169644.db2.gz WILNQTRTBSZCHT-LBPRGKRZSA-N 1 1 332.856 4.277 20 30 EIEDMO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000421346952 1036292995 /nfs/dbraw/zinc/29/29/95/1036292995.db2.gz ASJDTCQZLXNAKL-UHFFFAOYSA-N 1 1 340.279 4.282 20 30 EIEDMO CCOC(=O)CC(C)(C)CC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000588199215 1036296785 /nfs/dbraw/zinc/29/67/85/1036296785.db2.gz SRDITKUQNLYFLG-INIZCTEOSA-N 1 1 330.472 4.311 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000588206480 1036299182 /nfs/dbraw/zinc/29/91/82/1036299182.db2.gz XKBHRRNSRZJKDY-UHFFFAOYSA-N 1 1 338.426 4.187 20 30 EIEDMO Cc1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502542300 1036315964 /nfs/dbraw/zinc/31/59/64/1036315964.db2.gz YSLCKUOEPNTWHR-UHFFFAOYSA-N 1 1 333.391 4.064 20 30 EIEDMO N#Cc1cccc([C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CCO2)c1 ZINC000761239545 1036356767 /nfs/dbraw/zinc/35/67/67/1036356767.db2.gz GEWJBOBZZYCJQR-FQEVSTJZSA-N 1 1 349.821 4.338 20 30 EIEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000906628112 1036362640 /nfs/dbraw/zinc/36/26/40/1036362640.db2.gz MJALTCQKTFTOFT-CVEARBPZSA-N 1 1 345.512 4.141 20 30 EIEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000906628114 1036364320 /nfs/dbraw/zinc/36/43/20/1036364320.db2.gz MJALTCQKTFTOFT-HZPDHXFCSA-N 1 1 345.512 4.141 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508027 1036484021 /nfs/dbraw/zinc/48/40/21/1036484021.db2.gz KWQYTAAKHLJOBL-IRLDBZIGSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508027 1036484036 /nfs/dbraw/zinc/48/40/36/1036484036.db2.gz KWQYTAAKHLJOBL-IRLDBZIGSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1cccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508030 1036484230 /nfs/dbraw/zinc/48/42/30/1036484230.db2.gz KWQYTAAKHLJOBL-UNMCSNQZSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508030 1036484251 /nfs/dbraw/zinc/48/42/51/1036484251.db2.gz KWQYTAAKHLJOBL-UNMCSNQZSA-N 1 1 331.463 4.016 20 30 EIEDMO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c(Cl)cc1O ZINC000602582569 1036510835 /nfs/dbraw/zinc/51/08/35/1036510835.db2.gz NSKUIHGRRDTHJN-MRXNPFEDSA-N 1 1 330.815 4.189 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681835 1036570666 /nfs/dbraw/zinc/57/06/66/1036570666.db2.gz NBXGILSVCAEQDS-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681835 1036570686 /nfs/dbraw/zinc/57/06/86/1036570686.db2.gz NBXGILSVCAEQDS-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586750 1036705824 /nfs/dbraw/zinc/70/58/24/1036705824.db2.gz YLFJJNYHGIACIS-BBRMVZONSA-N 1 1 341.282 4.431 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000598587295 1036708031 /nfs/dbraw/zinc/70/80/31/1036708031.db2.gz OLOMISAGLALAJH-CYBMUJFWSA-N 1 1 341.282 4.259 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000598587295 1036708052 /nfs/dbraw/zinc/70/80/52/1036708052.db2.gz OLOMISAGLALAJH-CYBMUJFWSA-N 1 1 341.282 4.259 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000598589481 1036708410 /nfs/dbraw/zinc/70/84/10/1036708410.db2.gz IVBZMXLIYFLZLM-HNNXBMFYSA-N 1 1 336.426 4.010 20 30 EIEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028189 1036709523 /nfs/dbraw/zinc/70/95/23/1036709523.db2.gz AWKGMTSXZRRQOX-FQEVSTJZSA-N 1 1 336.439 4.153 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502896249 1036765125 /nfs/dbraw/zinc/76/51/25/1036765125.db2.gz UEKDIYGZPDVOCY-KRWDZBQOSA-N 1 1 329.488 4.446 20 30 EIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000486780925 1036851102 /nfs/dbraw/zinc/85/11/02/1036851102.db2.gz LQPSDGQFWDWRRG-QGZVFWFLSA-N 1 1 345.512 4.383 20 30 EIEDMO C=CCOc1ccc(CNCCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000589637007 1036855283 /nfs/dbraw/zinc/85/52/83/1036855283.db2.gz XOPDCAHICOWXJL-MRXNPFEDSA-N 1 1 336.907 4.259 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000486802875 1036863803 /nfs/dbraw/zinc/86/38/03/1036863803.db2.gz XLIOSCWHFPYMIP-RTBURBONSA-N 1 1 326.484 4.267 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000137194340 1036873440 /nfs/dbraw/zinc/87/34/40/1036873440.db2.gz BKPVGAXLTFHTFW-UHFFFAOYSA-N 1 1 340.492 4.425 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1ccccc1 ZINC000137194340 1036873441 /nfs/dbraw/zinc/87/34/41/1036873441.db2.gz BKPVGAXLTFHTFW-UHFFFAOYSA-N 1 1 340.492 4.425 20 30 EIEDMO Cc1cc(C(F)(F)F)cc(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC000599194490 1036897658 /nfs/dbraw/zinc/89/76/58/1036897658.db2.gz IYKBVNXIWFTNHU-UHFFFAOYSA-N 1 1 331.341 4.038 20 30 EIEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000589984371 1036922710 /nfs/dbraw/zinc/92/27/10/1036922710.db2.gz QYBQLLIHLZXNOZ-GHTZIAJQSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000246304273 1036990755 /nfs/dbraw/zinc/99/07/55/1036990755.db2.gz XCIANQZVTQJYTN-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2Br)C[C@@H](C)C1(F)F ZINC000599516261 1037046741 /nfs/dbraw/zinc/04/67/41/1037046741.db2.gz ZVTOOOCIYBUESP-GHMZBOCLSA-N 1 1 343.215 4.044 20 30 EIEDMO C[C@H]1C[NH+](Cc2cc(C#N)ccc2Br)C[C@H](C)C1(F)F ZINC000599516263 1037047803 /nfs/dbraw/zinc/04/78/03/1037047803.db2.gz ZVTOOOCIYBUESP-QWRGUYRKSA-N 1 1 343.215 4.044 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(-c2ccccc2)n1C ZINC000590778485 1037163663 /nfs/dbraw/zinc/16/36/63/1037163663.db2.gz MHTQZPUZFUHGJQ-QRWLVFNGSA-N 1 1 342.446 4.297 20 30 EIEDMO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591022972 1037274044 /nfs/dbraw/zinc/27/40/44/1037274044.db2.gz MHQRCPGQDJDENE-GOSISDBHSA-N 1 1 333.479 4.395 20 30 EIEDMO C[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000272827061 1037304273 /nfs/dbraw/zinc/30/42/73/1037304273.db2.gz HFKQJYZBMIMBEZ-YLJYHZDGSA-N 1 1 335.451 4.054 20 30 EIEDMO Cc1ccc2ncc(C#N)c(N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC000488052813 1037347124 /nfs/dbraw/zinc/34/71/24/1037347124.db2.gz CHRFXQVAGFWTFH-ZIFCJYIRSA-N 1 1 348.494 4.257 20 30 EIEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000604483188 1037397490 /nfs/dbraw/zinc/39/74/90/1037397490.db2.gz CUYIEHXIXRADBZ-INIZCTEOSA-N 1 1 349.453 4.113 20 30 EIEDMO CCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000604503349 1037415487 /nfs/dbraw/zinc/41/54/87/1037415487.db2.gz DPZYBPPRFUVTAS-SFHVURJKSA-N 1 1 341.499 4.192 20 30 EIEDMO Cc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1C#N ZINC000488467221 1037617469 /nfs/dbraw/zinc/61/74/69/1037617469.db2.gz QZFHTTGSCWIQIT-UHFFFAOYSA-N 1 1 336.279 4.183 20 30 EIEDMO Cc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1C#N ZINC000488467221 1037617472 /nfs/dbraw/zinc/61/74/72/1037617472.db2.gz QZFHTTGSCWIQIT-UHFFFAOYSA-N 1 1 336.279 4.183 20 30 EIEDMO C=CCCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000605149742 1037694040 /nfs/dbraw/zinc/69/40/40/1037694040.db2.gz GXAIAGAGOOEIEN-UHFFFAOYSA-N 1 1 326.406 4.179 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000605738785 1037859431 /nfs/dbraw/zinc/85/94/31/1037859431.db2.gz XBEJPBIVVKTNFP-LBPRGKRZSA-N 1 1 329.271 4.069 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000489443133 1038058172 /nfs/dbraw/zinc/05/81/72/1038058172.db2.gz WULDVFCRBPGOPJ-CQSZACIVSA-N 1 1 337.345 4.296 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000489443133 1038058192 /nfs/dbraw/zinc/05/81/92/1038058192.db2.gz WULDVFCRBPGOPJ-CQSZACIVSA-N 1 1 337.345 4.296 20 30 EIEDMO N#CC1(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CCCC1 ZINC000593654822 1038120122 /nfs/dbraw/zinc/12/01/22/1038120122.db2.gz QJODCZXYFJWSFS-UHFFFAOYSA-N 1 1 325.481 4.102 20 30 EIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000593944574 1038202041 /nfs/dbraw/zinc/20/20/41/1038202041.db2.gz WXVNUTZYIUMZLU-NSHDSACASA-N 1 1 325.199 4.127 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1noc2ccccc21 ZINC000593959135 1038229397 /nfs/dbraw/zinc/22/93/97/1038229397.db2.gz HAUPYOARYQWRAB-QUCCMNQESA-N 1 1 331.419 4.142 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000489891020 1038258067 /nfs/dbraw/zinc/25/80/67/1038258067.db2.gz UVCFQBKKSXXIHV-OAHLLOKOSA-N 1 1 345.512 4.284 20 30 EIEDMO N#Cc1ccccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594038247 1038267343 /nfs/dbraw/zinc/26/73/43/1038267343.db2.gz OCEXPVSSKCQSIZ-UHFFFAOYSA-N 1 1 332.325 4.236 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000606902234 1038299419 /nfs/dbraw/zinc/29/94/19/1038299419.db2.gz ASLOXAONIAFIJN-UHFFFAOYSA-N 1 1 336.277 4.275 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000606913667 1038306221 /nfs/dbraw/zinc/30/62/21/1038306221.db2.gz NHQBGCUMJUMRHZ-GOSISDBHSA-N 1 1 338.495 4.470 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3nc4ccc(F)cc4s3)CCC2)cc1 ZINC000594521226 1038361704 /nfs/dbraw/zinc/36/17/04/1038361704.db2.gz SNGJLVUSENPHIW-UHFFFAOYSA-N 1 1 337.423 4.476 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3c(F)cccc3OC(F)F)cc2)CC1 ZINC000594928169 1038430745 /nfs/dbraw/zinc/43/07/45/1038430745.db2.gz FFZGFNHIBIVMSW-UHFFFAOYSA-N 1 1 346.352 4.272 20 30 EIEDMO N#CC1(c2ccc(CNC3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000594942173 1038508091 /nfs/dbraw/zinc/50/80/91/1038508091.db2.gz XLGSXZZWIHGTOV-UHFFFAOYSA-N 1 1 337.511 4.128 20 30 EIEDMO Cc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(Cl)cc1C#N ZINC000461944861 1038830453 /nfs/dbraw/zinc/83/04/53/1038830453.db2.gz CEONEJIXDRXUKT-GOEBONIOSA-N 1 1 346.906 4.006 20 30 EIEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000119031563 1038853010 /nfs/dbraw/zinc/85/30/10/1038853010.db2.gz AXLZADADQGSMSN-AZUAARDMSA-N 1 1 327.516 4.474 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cccc(C#N)c1 ZINC000608780123 1038896205 /nfs/dbraw/zinc/89/62/05/1038896205.db2.gz BLXQBWYINZFOMO-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000505046359 1038899878 /nfs/dbraw/zinc/89/98/78/1038899878.db2.gz SFDAMHNZGLXQRN-SFHVURJKSA-N 1 1 329.488 4.143 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000505034630 1038907278 /nfs/dbraw/zinc/90/72/78/1038907278.db2.gz FMFFGYYBUCMWDN-SJLPKXTDSA-N 1 1 329.488 4.142 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000505057868 1038926122 /nfs/dbraw/zinc/92/61/22/1038926122.db2.gz MPULREKFDBEQKH-IRXDYDNUSA-N 1 1 329.488 4.190 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000174566215 1038993841 /nfs/dbraw/zinc/99/38/41/1038993841.db2.gz AWGLFWVQSUWKOK-OAHLLOKOSA-N 1 1 327.399 4.087 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)C[C@H](C)C#N ZINC000120010905 1039026218 /nfs/dbraw/zinc/02/62/18/1039026218.db2.gz ICTUJMTVGWFEAN-OAHLLOKOSA-N 1 1 344.480 4.317 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)C[C@H](C)C#N ZINC000120010905 1039026242 /nfs/dbraw/zinc/02/62/42/1039026242.db2.gz ICTUJMTVGWFEAN-OAHLLOKOSA-N 1 1 344.480 4.317 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539388883 1039047614 /nfs/dbraw/zinc/04/76/14/1039047614.db2.gz VZFHFAJYJDFDOR-BJLQDIEVSA-N 1 1 343.515 4.084 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000424767431 1039075620 /nfs/dbraw/zinc/07/56/20/1039075620.db2.gz LBJLHDCVQUEZSC-MJGOQNOKSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(Cl)s1 ZINC000058490893 1039134236 /nfs/dbraw/zinc/13/42/36/1039134236.db2.gz SUVDBJHKFNXOIO-UHFFFAOYSA-N 1 1 334.872 4.418 20 30 EIEDMO C=CCCC1(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CC1 ZINC000476545033 1039262151 /nfs/dbraw/zinc/26/21/51/1039262151.db2.gz LGDIWYUAHWLUTG-UHFFFAOYSA-N 1 1 334.548 4.339 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481343712 1039321723 /nfs/dbraw/zinc/32/17/23/1039321723.db2.gz RMEZFSNYXWXHKV-HXUWFJFHSA-N 1 1 349.478 4.497 20 30 EIEDMO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)OCC ZINC000534404443 1039392961 /nfs/dbraw/zinc/39/29/61/1039392961.db2.gz BIEUDBLHTFHLQM-XLIONFOSSA-N 1 1 344.499 4.371 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000555679294 1039518431 /nfs/dbraw/zinc/51/84/31/1039518431.db2.gz PANGZVXCFFWDRJ-GOEBONIOSA-N 1 1 333.501 4.239 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000092485821 1039550148 /nfs/dbraw/zinc/55/01/48/1039550148.db2.gz PVEDTNQLFQKBPR-MSOLQXFVSA-N 1 1 328.456 4.142 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092757854 1039583605 /nfs/dbraw/zinc/58/36/05/1039583605.db2.gz CQGSLHNVCAQSQG-FQEVSTJZSA-N 1 1 335.451 4.056 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000093690039 1039735957 /nfs/dbraw/zinc/73/59/57/1039735957.db2.gz KHQJAXHTJKSEDN-RBUKOAKNSA-N 1 1 330.497 4.229 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000093690037 1039736383 /nfs/dbraw/zinc/73/63/83/1039736383.db2.gz KHQJAXHTJKSEDN-OALUTQOASA-N 1 1 330.497 4.229 20 30 EIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868664 1039762914 /nfs/dbraw/zinc/76/29/14/1039762914.db2.gz XGYYJERXAJXSAV-HKUYNNGSSA-N 1 1 332.513 4.475 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000122771465 1039791679 /nfs/dbraw/zinc/79/16/79/1039791679.db2.gz WNWOQBNHKPZIML-OAHLLOKOSA-N 1 1 327.424 4.119 20 30 EIEDMO C=CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000537646971 1039802013 /nfs/dbraw/zinc/80/20/13/1039802013.db2.gz DZFCJBIWTROUOV-SFHVURJKSA-N 1 1 348.918 4.069 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000555914574 1039812604 /nfs/dbraw/zinc/81/26/04/1039812604.db2.gz UMNNESKMLDEKOA-HNNXBMFYSA-N 1 1 341.361 4.290 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000555914577 1039812899 /nfs/dbraw/zinc/81/28/99/1039812899.db2.gz UMNNESKMLDEKOA-OAHLLOKOSA-N 1 1 341.361 4.290 20 30 EIEDMO C=CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924984976 1039881940 /nfs/dbraw/zinc/88/19/40/1039881940.db2.gz ZIYLILKJWKZEOJ-HXUWFJFHSA-N 1 1 341.886 4.064 20 30 EIEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCCCC1 ZINC000514541569 1039978701 /nfs/dbraw/zinc/97/87/01/1039978701.db2.gz WAXTXGQFRINPBY-UHFFFAOYSA-N 1 1 347.890 4.099 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000478964328 1040045384 /nfs/dbraw/zinc/04/53/84/1040045384.db2.gz PXGGUUUIKXIHFV-LJQANCHMSA-N 1 1 344.380 4.243 20 30 EIEDMO C=CCCOCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000535243750 1040090365 /nfs/dbraw/zinc/09/03/65/1040090365.db2.gz QUPKBUUCFYKRCU-NRFANRHFSA-N 1 1 348.446 4.274 20 30 EIEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801697 1040247342 /nfs/dbraw/zinc/24/73/42/1040247342.db2.gz YIVPHMANSIRVFF-KBPBESRZSA-N 1 1 338.282 4.198 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000477143417 1040255650 /nfs/dbraw/zinc/25/56/50/1040255650.db2.gz WZRSYEDBIBKXFP-OAHLLOKOSA-N 1 1 346.906 4.088 20 30 EIEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439877 1040271932 /nfs/dbraw/zinc/27/19/32/1040271932.db2.gz IXCGNLWLTCWDNB-IFMALSPDSA-N 1 1 348.490 4.079 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667484220 1040324977 /nfs/dbraw/zinc/32/49/77/1040324977.db2.gz DKCPUOPUBBMFFO-GOSISDBHSA-N 1 1 329.465 4.104 20 30 EIEDMO CCOCc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366059 1040345448 /nfs/dbraw/zinc/34/54/48/1040345448.db2.gz OJOABHNMBAZFQW-INIZCTEOSA-N 1 1 338.451 4.296 20 30 EIEDMO CC(C)n1ncc2cc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)cnc21 ZINC000425367048 1040347856 /nfs/dbraw/zinc/34/78/56/1040347856.db2.gz RTUYFRJUMCHZRQ-HNNXBMFYSA-N 1 1 333.439 4.077 20 30 EIEDMO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386257564 1040521868 /nfs/dbraw/zinc/52/18/68/1040521868.db2.gz FATQSCYVTVQLSN-PBHICJAKSA-N 1 1 341.405 4.159 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551734075 1040544154 /nfs/dbraw/zinc/54/41/54/1040544154.db2.gz ODLABQGTWXPOKE-JOCHJYFZSA-N 1 1 332.447 4.223 20 30 EIEDMO C=CCC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000160519194 1040579673 /nfs/dbraw/zinc/57/96/73/1040579673.db2.gz GUNCACLFVRUBKI-QUCCMNQESA-N 1 1 343.515 4.067 20 30 EIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1F ZINC000160725069 1040690039 /nfs/dbraw/zinc/69/00/39/1040690039.db2.gz YRYPKTDOVXONJM-UHFFFAOYSA-N 1 1 348.425 4.235 20 30 EIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1F ZINC000160725069 1040690052 /nfs/dbraw/zinc/69/00/52/1040690052.db2.gz YRYPKTDOVXONJM-UHFFFAOYSA-N 1 1 348.425 4.235 20 30 EIEDMO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000551943593 1040712038 /nfs/dbraw/zinc/71/20/38/1040712038.db2.gz FGAXCACKRZRLNL-IDYZSHNDSA-N 1 1 342.483 4.100 20 30 EIEDMO Cn1cc(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)cc1C#N ZINC000483250498 1040788008 /nfs/dbraw/zinc/78/80/08/1040788008.db2.gz ODFRBCGPOMEPSH-QFIPXVFZSA-N 1 1 327.431 4.196 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000539851466 1040839557 /nfs/dbraw/zinc/83/95/57/1040839557.db2.gz WGXLUWDRFZEFAF-QFBILLFUSA-N 1 1 333.497 4.120 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000515564116 1040869535 /nfs/dbraw/zinc/86/95/35/1040869535.db2.gz HGEUCIHDDXOIJT-GFCCVEGCSA-N 1 1 340.477 4.004 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000515564116 1040869536 /nfs/dbraw/zinc/86/95/36/1040869536.db2.gz HGEUCIHDDXOIJT-GFCCVEGCSA-N 1 1 340.477 4.004 20 30 EIEDMO C[N@H+](CC#Cc1ccccc1)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000483577442 1040896498 /nfs/dbraw/zinc/89/64/98/1040896498.db2.gz GUTULKWEZCBZPX-UHFFFAOYSA-N 1 1 347.437 4.132 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462788168 1040932894 /nfs/dbraw/zinc/93/28/94/1040932894.db2.gz FEGJGNWQXKLSFY-UHFFFAOYSA-N 1 1 336.435 4.146 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898515837 1040968232 /nfs/dbraw/zinc/96/82/32/1040968232.db2.gz GLXMCQYUJIOWPC-VQTJNVASSA-N 1 1 342.483 4.008 20 30 EIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000161142810 1041028672 /nfs/dbraw/zinc/02/86/72/1041028672.db2.gz LSQFJCGKKDJIQI-UHFFFAOYSA-N 1 1 348.425 4.235 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000538143174 1041077106 /nfs/dbraw/zinc/07/71/06/1041077106.db2.gz DHYICPQOMOKFCI-LBPRGKRZSA-N 1 1 332.350 4.019 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1F ZINC000484060386 1041100027 /nfs/dbraw/zinc/10/00/27/1041100027.db2.gz WKFFDXBJFDHTPF-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1F ZINC000484060386 1041100043 /nfs/dbraw/zinc/10/00/43/1041100043.db2.gz WKFFDXBJFDHTPF-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)nc2c1 ZINC000484083269 1041112815 /nfs/dbraw/zinc/11/28/15/1041112815.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 1 1 329.447 4.102 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083269 1041112827 /nfs/dbraw/zinc/11/28/27/1041112827.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 1 1 329.447 4.102 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083269 1041112833 /nfs/dbraw/zinc/11/28/33/1041112833.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 1 1 329.447 4.102 20 30 EIEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000538176219 1041129740 /nfs/dbraw/zinc/12/97/40/1041129740.db2.gz SOZYZHZEFRLBAP-UHFFFAOYSA-N 1 1 327.225 4.100 20 30 EIEDMO COc1ccc(Br)c(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000538398650 1041296330 /nfs/dbraw/zinc/29/63/30/1041296330.db2.gz SABDTUBJBKZKMC-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000463062606 1041297437 /nfs/dbraw/zinc/29/74/37/1041297437.db2.gz ATFJZCZEHPHVDQ-KRWDZBQOSA-N 1 1 339.870 4.170 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Br)s1 ZINC000448455392 1041318159 /nfs/dbraw/zinc/31/81/59/1041318159.db2.gz SAONKZAKFKJQAE-UHFFFAOYSA-N 1 1 338.245 4.133 20 30 EIEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Br)s1 ZINC000448455392 1041318143 /nfs/dbraw/zinc/31/81/43/1041318143.db2.gz SAONKZAKFKJQAE-UHFFFAOYSA-N 1 1 338.245 4.133 20 30 EIEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000463091187 1041328675 /nfs/dbraw/zinc/32/86/75/1041328675.db2.gz ZMIBDXGAVPBKLB-INIZCTEOSA-N 1 1 342.874 4.070 20 30 EIEDMO COc1nc2ccccc2cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000538426950 1041332944 /nfs/dbraw/zinc/33/29/44/1041332944.db2.gz VXYPLDFNYVCMNW-LJQANCHMSA-N 1 1 331.419 4.378 20 30 EIEDMO CC[N@@H+](CCC1CCN(c2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000538928564 1041580346 /nfs/dbraw/zinc/58/03/46/1041580346.db2.gz UGCUZGNQXLKASL-UHFFFAOYSA-N 1 1 329.463 4.036 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437576351 1041844684 /nfs/dbraw/zinc/84/46/84/1041844684.db2.gz CCMOPDNVRPBDJC-VQIMIIECSA-N 1 1 340.492 4.098 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437576351 1041844688 /nfs/dbraw/zinc/84/46/88/1041844688.db2.gz CCMOPDNVRPBDJC-VQIMIIECSA-N 1 1 340.492 4.098 20 30 EIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437631582 1041862331 /nfs/dbraw/zinc/86/23/31/1041862331.db2.gz CKHRCBCZLHFSFL-GFCCVEGCSA-N 1 1 328.428 4.123 20 30 EIEDMO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)[C@H](C)CO2)c1 ZINC000541348252 1041898493 /nfs/dbraw/zinc/89/84/93/1041898493.db2.gz BHJYFXUOKXZVJA-XMSQKQJNSA-N 1 1 334.463 4.332 20 30 EIEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000438057942 1042033917 /nfs/dbraw/zinc/03/39/17/1042033917.db2.gz WBJQMIKUBCZIJV-LAUBAEHRSA-N 1 1 344.499 4.086 20 30 EIEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000438063853 1042036181 /nfs/dbraw/zinc/03/61/81/1042036181.db2.gz DIYBQODJFMTOMX-UTKZUKDTSA-N 1 1 344.499 4.228 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000464648758 1042096939 /nfs/dbraw/zinc/09/69/39/1042096939.db2.gz SOYBNZHKFUULAD-QZTJIDSGSA-N 1 1 328.500 4.137 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000464658533 1042111211 /nfs/dbraw/zinc/11/12/11/1042111211.db2.gz VXEFQKBOYUMTIN-MSOLQXFVSA-N 1 1 328.500 4.280 20 30 EIEDMO Cn1cc(C[N@H+]2CCCC3(CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000438370398 1042153058 /nfs/dbraw/zinc/15/30/58/1042153058.db2.gz GXRHWRUPBXSPSM-UHFFFAOYSA-N 1 1 334.467 4.115 20 30 EIEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464778957 1042160752 /nfs/dbraw/zinc/16/07/52/1042160752.db2.gz XDVUCTVMSQMKAI-SFHVURJKSA-N 1 1 338.476 4.051 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000464818143 1042176204 /nfs/dbraw/zinc/17/62/04/1042176204.db2.gz KELOSUBCMFMBLB-GOTSBHOMSA-N 1 1 348.490 4.408 20 30 EIEDMO Cc1c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816754 1042176387 /nfs/dbraw/zinc/17/63/87/1042176387.db2.gz WWUVFUQTFVELSU-ICSRJNTNSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816754 1042176390 /nfs/dbraw/zinc/17/63/90/1042176390.db2.gz WWUVFUQTFVELSU-ICSRJNTNSA-N 1 1 335.407 4.175 20 30 EIEDMO C=CCC[N@H+](C)Cc1cc(Br)c(OCC=C)c(OC)c1 ZINC000467371470 1042212632 /nfs/dbraw/zinc/21/26/32/1042212632.db2.gz VUHGSUGKCLUTAH-UHFFFAOYSA-N 1 1 340.261 4.030 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260621 1042217792 /nfs/dbraw/zinc/21/77/92/1042217792.db2.gz XWUGTPKYWXHSRQ-AWEZNQCLSA-N 1 1 329.415 4.461 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426132873 1042329624 /nfs/dbraw/zinc/32/96/24/1042329624.db2.gz CSOGCHQILYOUGI-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000509554155 1042362749 /nfs/dbraw/zinc/36/27/49/1042362749.db2.gz PYURUMVJAUXKHV-MRXNPFEDSA-N 1 1 347.462 4.493 20 30 EIEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)CCc1ccco1 ZINC000491343351 1042412299 /nfs/dbraw/zinc/41/22/99/1042412299.db2.gz NRPXMSOVVGAFOH-UHFFFAOYSA-N 1 1 343.452 4.054 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000491355024 1042430755 /nfs/dbraw/zinc/43/07/55/1042430755.db2.gz DSFBQOWFPUJDBQ-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000491355024 1042430760 /nfs/dbraw/zinc/43/07/60/1042430760.db2.gz DSFBQOWFPUJDBQ-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)CC1CCCCC1 ZINC000303498810 1042450485 /nfs/dbraw/zinc/45/04/85/1042450485.db2.gz XYPDZSLQINRORI-UHFFFAOYSA-N 1 1 341.455 4.314 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccc(Cl)cc1 ZINC000491669248 1042486338 /nfs/dbraw/zinc/48/63/38/1042486338.db2.gz CBUOSHRKELGYBB-KRWDZBQOSA-N 1 1 339.851 4.323 20 30 EIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518607840 1042585687 /nfs/dbraw/zinc/58/56/87/1042585687.db2.gz QVBFGLIKLDSNOF-CQSZACIVSA-N 1 1 330.378 4.046 20 30 EIEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000439444432 1042629034 /nfs/dbraw/zinc/62/90/34/1042629034.db2.gz VLQJKMGYMRGHKI-LBPRGKRZSA-N 1 1 329.787 4.279 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448225 1042633231 /nfs/dbraw/zinc/63/32/31/1042633231.db2.gz ZVLSGUYEVKLGRT-AEFFLSMTSA-N 1 1 345.918 4.298 20 30 EIEDMO CCc1oc(C(=O)OC)cc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000426398482 1042658789 /nfs/dbraw/zinc/65/87/89/1042658789.db2.gz WWPFMFVFNXGIKO-AWEZNQCLSA-N 1 1 340.423 4.083 20 30 EIEDMO CCC1CCC([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426422277 1042685671 /nfs/dbraw/zinc/68/56/71/1042685671.db2.gz UPRGISMPIJYZPI-UHFFFAOYSA-N 1 1 333.501 4.076 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177350 1042720073 /nfs/dbraw/zinc/72/00/73/1042720073.db2.gz QNTGLWTZCBYZNP-CYBMUJFWSA-N 1 1 329.469 4.087 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177350 1042720082 /nfs/dbraw/zinc/72/00/82/1042720082.db2.gz QNTGLWTZCBYZNP-CYBMUJFWSA-N 1 1 329.469 4.087 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000519002866 1042785109 /nfs/dbraw/zinc/78/51/09/1042785109.db2.gz KHXFEQVOVYZBEU-VQIMIIECSA-N 1 1 341.499 4.061 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)s1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426508708 1042786501 /nfs/dbraw/zinc/78/65/01/1042786501.db2.gz PERKGMIUBFDGKH-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)C(=O)Nc1ccccc1C ZINC000426508708 1042786505 /nfs/dbraw/zinc/78/65/05/1042786505.db2.gz PERKGMIUBFDGKH-OAHLLOKOSA-N 1 1 341.480 4.167 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nc(C3CC3)no2)C(C)(C)C)cc1 ZINC000131821792 1042841834 /nfs/dbraw/zinc/84/18/34/1042841834.db2.gz JFGFWIWTGQKFCM-UHFFFAOYSA-N 1 1 341.455 4.313 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nc(C3CC3)no2)C(C)(C)C)cc1 ZINC000131821792 1042841837 /nfs/dbraw/zinc/84/18/37/1042841837.db2.gz JFGFWIWTGQKFCM-UHFFFAOYSA-N 1 1 341.455 4.313 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC000152680222 1042945189 /nfs/dbraw/zinc/94/51/89/1042945189.db2.gz BKQQTFDDSJCZGH-AWEZNQCLSA-N 1 1 349.356 4.071 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1cccc(C#N)c1 ZINC000614634084 1042964207 /nfs/dbraw/zinc/96/42/07/1042964207.db2.gz YRIORVABURIOCK-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000493846328 1042965011 /nfs/dbraw/zinc/96/50/11/1042965011.db2.gz PVOVZNQWOINRDA-HNNXBMFYSA-N 1 1 329.444 4.484 20 30 EIEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1ccc(C#N)cc1OC(F)F ZINC000494049268 1043008492 /nfs/dbraw/zinc/00/84/92/1043008492.db2.gz NGEMYGZZIXNVPP-UHFFFAOYSA-N 1 1 341.361 4.273 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c(F)c1 ZINC000132898591 1043204297 /nfs/dbraw/zinc/20/42/97/1043204297.db2.gz DPJVJZRKGFSYHV-MRXNPFEDSA-N 1 1 349.331 4.278 20 30 EIEDMO C[C@H](C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427985 1043220794 /nfs/dbraw/zinc/22/07/94/1043220794.db2.gz KYBMAOAULWFFMD-QGZVFWFLSA-N 1 1 330.435 4.115 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000065165069 1043280810 /nfs/dbraw/zinc/28/08/10/1043280810.db2.gz IVZAHDYJIDDYHC-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO CC[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](CC)CC ZINC000765965034 1043282059 /nfs/dbraw/zinc/28/20/59/1043282059.db2.gz BRXCCNBQVUYFEQ-GXTWGEPZSA-N 1 1 349.887 4.246 20 30 EIEDMO CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](CC)CC ZINC000765965036 1043282270 /nfs/dbraw/zinc/28/22/70/1043282270.db2.gz BRXCCNBQVUYFEQ-OCCSQVGLSA-N 1 1 349.887 4.246 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187369234 1043345374 /nfs/dbraw/zinc/34/53/74/1043345374.db2.gz CHUFZQAHAHRBHM-SFHVURJKSA-N 1 1 348.349 4.289 20 30 EIEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000499620491 1043460322 /nfs/dbraw/zinc/46/03/22/1043460322.db2.gz TVLQVICRZMKEHY-UHFFFAOYSA-N 1 1 340.511 4.443 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)c1 ZINC000171416620 1043565373 /nfs/dbraw/zinc/56/53/73/1043565373.db2.gz AYYVIKOAZADCPA-FQEVSTJZSA-N 1 1 335.357 4.111 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000171632766 1043634636 /nfs/dbraw/zinc/63/46/36/1043634636.db2.gz FVNOAXZLSXAJLS-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO C[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000521253893 1043676984 /nfs/dbraw/zinc/67/69/84/1043676984.db2.gz HEHBQMTWLHDSLW-KPZWWZAWSA-N 1 1 341.798 4.145 20 30 EIEDMO COc1cccc(C[N@H+](Cc2ccc(OCC#N)cc2)CC(C)C)c1 ZINC000731212167 1043713943 /nfs/dbraw/zinc/71/39/43/1043713943.db2.gz XIUJKFYWXMGWEM-UHFFFAOYSA-N 1 1 338.451 4.256 20 30 EIEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000731212035 1043714846 /nfs/dbraw/zinc/71/48/46/1043714846.db2.gz OXIJSIOQCXNWRK-NRFANRHFSA-N 1 1 334.463 4.352 20 30 EIEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000521496430 1043804651 /nfs/dbraw/zinc/80/46/51/1043804651.db2.gz LGSWTWBJFQWIJA-FQEVSTJZSA-N 1 1 349.434 4.163 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898114 1043824136 /nfs/dbraw/zinc/82/41/36/1043824136.db2.gz PVKQSGIIMPQRRV-LJQANCHMSA-N 1 1 347.462 4.157 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)c(O)c(OC)c1 ZINC000732526588 1043946865 /nfs/dbraw/zinc/94/68/65/1043946865.db2.gz IUESIIYWUMDGTD-ZDUSSCGKSA-N 1 1 329.465 4.310 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000521828215 1043997841 /nfs/dbraw/zinc/99/78/41/1043997841.db2.gz KNYWBUCVCZLNRK-WIYYLYMNSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000521828215 1043997853 /nfs/dbraw/zinc/99/78/53/1043997853.db2.gz KNYWBUCVCZLNRK-WIYYLYMNSA-N 1 1 336.479 4.177 20 30 EIEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206839 1044126307 /nfs/dbraw/zinc/12/63/07/1044126307.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206839 1044126396 /nfs/dbraw/zinc/12/63/96/1044126396.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 1 1 347.506 4.238 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206839 1044126416 /nfs/dbraw/zinc/12/64/16/1044126416.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 1 1 347.506 4.238 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000766114436 1044209793 /nfs/dbraw/zinc/20/97/93/1044209793.db2.gz DHRSDDOKSQYKEK-CYBMUJFWSA-N 1 1 343.389 4.294 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2ccc(OCC)cc21 ZINC000675839665 1044525069 /nfs/dbraw/zinc/52/50/69/1044525069.db2.gz JKLUWVACFRZETM-IBGZPJMESA-N 1 1 339.435 4.264 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCSC1 ZINC000494939830 1044537153 /nfs/dbraw/zinc/53/71/53/1044537153.db2.gz KRIAWKBODBMXOK-GFCCVEGCSA-N 1 1 344.293 4.329 20 30 EIEDMO C=CC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000494993445 1044586072 /nfs/dbraw/zinc/58/60/72/1044586072.db2.gz BNDZWPZLKQHTHC-FQEVSTJZSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477760 1044586509 /nfs/dbraw/zinc/58/65/09/1044586509.db2.gz SQBKGIVHHPSZRU-LAUBAEHRSA-N 1 1 342.446 4.257 20 30 EIEDMO C[C@@H]1C[C@@H](NCC#Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024256 1044607201 /nfs/dbraw/zinc/60/72/01/1044607201.db2.gz CWGJGZIOXQQKFW-JHDGKUDLSA-N 1 1 332.491 4.069 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N/CCC[N@H+]1CCc2ccccc2C1 ZINC000914701696 1044679662 /nfs/dbraw/zinc/67/96/62/1044679662.db2.gz MTLPONLWOSTXTN-LFVJCYFKSA-N 1 1 344.458 4.413 20 30 EIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091889271 1044713914 /nfs/dbraw/zinc/71/39/14/1044713914.db2.gz LNRXBKDKNCSNID-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000495145132 1044719740 /nfs/dbraw/zinc/71/97/40/1044719740.db2.gz AGIRCXKSRZYADN-UHFFFAOYSA-N 1 1 325.387 4.040 20 30 EIEDMO CC(C)[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OCC#N ZINC000735308794 1044798341 /nfs/dbraw/zinc/79/83/41/1044798341.db2.gz STWMDVAJNWWGCC-UHFFFAOYSA-N 1 1 329.831 4.048 20 30 EIEDMO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OCC#N ZINC000735308794 1044798358 /nfs/dbraw/zinc/79/83/58/1044798358.db2.gz STWMDVAJNWWGCC-UHFFFAOYSA-N 1 1 329.831 4.048 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)ccc1OC ZINC000895583668 1044815379 /nfs/dbraw/zinc/81/53/79/1044815379.db2.gz NHZGUNIXJPLVPP-INIZCTEOSA-N 1 1 344.480 4.096 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000895788308 1044892543 /nfs/dbraw/zinc/89/25/43/1044892543.db2.gz OUOUDDCSBDDANC-KMFMINBZSA-N 1 1 338.373 4.142 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800073 1044894382 /nfs/dbraw/zinc/89/43/82/1044894382.db2.gz AJQHUCBCONYTLU-KSFYIVLOSA-N 1 1 346.430 4.119 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800074 1044894543 /nfs/dbraw/zinc/89/45/43/1044894543.db2.gz AJQHUCBCONYTLU-OPAMFIHVSA-N 1 1 346.430 4.119 20 30 EIEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466708560 1045068224 /nfs/dbraw/zinc/06/82/24/1045068224.db2.gz ZBJINKIMOHBLCL-HXUWFJFHSA-N 1 1 345.556 4.010 20 30 EIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156990758 1045123940 /nfs/dbraw/zinc/12/39/40/1045123940.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156990758 1045123950 /nfs/dbraw/zinc/12/39/50/1045123950.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156990758 1045123963 /nfs/dbraw/zinc/12/39/63/1045123963.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000739913510 1045173774 /nfs/dbraw/zinc/17/37/74/1045173774.db2.gz JJZOBBLVYVEPLR-UHFFFAOYSA-N 1 1 326.827 4.039 20 30 EIEDMO CCOc1ccc(O)c(/C=N/Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000915270828 1045226865 /nfs/dbraw/zinc/22/68/65/1045226865.db2.gz CBPCYHCMJHUQCF-HYARGMPZSA-N 1 1 340.467 4.250 20 30 EIEDMO CC[N@@H+](c1ccc(Nc2c(C#N)nnc3ccccc32)cc1)C(C)C ZINC000740865041 1045232106 /nfs/dbraw/zinc/23/21/06/1045232106.db2.gz VDGKTBXKZPOEBJ-UHFFFAOYSA-N 1 1 331.423 4.480 20 30 EIEDMO CC[N@H+](c1ccc(Nc2c(C#N)nnc3ccccc32)cc1)C(C)C ZINC000740865041 1045232120 /nfs/dbraw/zinc/23/21/20/1045232120.db2.gz VDGKTBXKZPOEBJ-UHFFFAOYSA-N 1 1 331.423 4.480 20 30 EIEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccncc1 ZINC000766020918 1045235089 /nfs/dbraw/zinc/23/50/89/1045235089.db2.gz RBIGUWXGDONEGZ-OXJNMPFZSA-N 1 1 347.466 4.247 20 30 EIEDMO C[C@H](C#N)C[N@@H+](CC/C=C/c1ccc(Br)cc1)C1CC1 ZINC000611091287 1045252480 /nfs/dbraw/zinc/25/24/80/1045252480.db2.gz PXVVMKNACSBCPV-KWEXDPCDSA-N 1 1 333.273 4.476 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266772 1045269271 /nfs/dbraw/zinc/26/92/71/1045269271.db2.gz LVLXRQBWSGCOQQ-APWZRJJASA-N 1 1 326.465 4.219 20 30 EIEDMO CC(C)(C)c1csc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611391924 1045296601 /nfs/dbraw/zinc/29/66/01/1045296601.db2.gz FPTUWOJYNKSERX-MRXNPFEDSA-N 1 1 325.481 4.479 20 30 EIEDMO CC(C)(C)c1csc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611391922 1045297711 /nfs/dbraw/zinc/29/77/11/1045297711.db2.gz FPTUWOJYNKSERX-INIZCTEOSA-N 1 1 325.481 4.479 20 30 EIEDMO CC(C)[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1 ZINC000611452911 1045311561 /nfs/dbraw/zinc/31/15/61/1045311561.db2.gz WTBBELDBXJHACC-UHFFFAOYSA-N 1 1 325.481 4.304 20 30 EIEDMO CC(C)[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1 ZINC000611452911 1045311569 /nfs/dbraw/zinc/31/15/69/1045311569.db2.gz WTBBELDBXJHACC-UHFFFAOYSA-N 1 1 325.481 4.304 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\COc3c(F)cccc3C2=O)c2ccccn21 ZINC000762605774 1045312670 /nfs/dbraw/zinc/31/26/70/1045312670.db2.gz ZDUBCBZWADQZLE-JLHYYAGUSA-N 1 1 336.366 4.256 20 30 EIEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(Br)ncc1F)c1ccccc1 ZINC000762777233 1045349309 /nfs/dbraw/zinc/34/93/09/1045349309.db2.gz WBFWWDNYJQWRHF-LRDDRELGSA-N 1 1 347.231 4.398 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000495797395 1045414896 /nfs/dbraw/zinc/41/48/96/1045414896.db2.gz DHIISBSDWSIARG-DLBZAZTESA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495982895 1045453164 /nfs/dbraw/zinc/45/31/64/1045453164.db2.gz PEHBOSHNALAKCV-QZTJIDSGSA-N 1 1 349.519 4.182 20 30 EIEDMO COC(=O)c1ccc(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)cc1 ZINC000767729611 1045620205 /nfs/dbraw/zinc/62/02/05/1045620205.db2.gz NBGFAFJDXHEKHK-QXMHVHEDSA-N 1 1 348.402 4.140 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1c1ccccc1 ZINC000746488623 1045637160 /nfs/dbraw/zinc/63/71/60/1045637160.db2.gz GBNSASRCULMRDT-AUUYWEPGSA-N 1 1 326.827 4.435 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1c1ccccc1 ZINC000746488623 1045637176 /nfs/dbraw/zinc/63/71/76/1045637176.db2.gz GBNSASRCULMRDT-AUUYWEPGSA-N 1 1 326.827 4.435 20 30 EIEDMO CCCCCCCCCN(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000790973616 1045660378 /nfs/dbraw/zinc/66/03/78/1045660378.db2.gz WJUOVXSZTWWEBY-UHFFFAOYSA-N 1 1 334.508 4.111 20 30 EIEDMO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CCCC#N)C3)cc1 ZINC000067401451 1045741627 /nfs/dbraw/zinc/74/16/27/1045741627.db2.gz XPQAPSYHSPKDTD-UHFFFAOYSA-N 1 1 348.450 4.301 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000768228928 1045761561 /nfs/dbraw/zinc/76/15/61/1045761561.db2.gz MMVCIPAOFYBWSF-JOCHJYFZSA-N 1 1 333.479 4.244 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000246503326 1045821474 /nfs/dbraw/zinc/82/14/74/1045821474.db2.gz SSNNGTBONAVQLL-STZQEDGTSA-N 1 1 333.479 4.457 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000246503326 1045821475 /nfs/dbraw/zinc/82/14/75/1045821475.db2.gz SSNNGTBONAVQLL-STZQEDGTSA-N 1 1 333.479 4.457 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000768912816 1045859090 /nfs/dbraw/zinc/85/90/90/1045859090.db2.gz MVUSRYNMZAGOFT-UZLBHIALSA-N 1 1 338.426 4.324 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000768991349 1045867882 /nfs/dbraw/zinc/86/78/82/1045867882.db2.gz KNOCQORWPVHKQF-OXJNMPFZSA-N 1 1 338.426 4.324 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000248589072 1045876047 /nfs/dbraw/zinc/87/60/47/1045876047.db2.gz YSOMOLDTBBINTC-HZPDHXFCSA-N 1 1 345.512 4.141 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000769105610 1045880678 /nfs/dbraw/zinc/88/06/78/1045880678.db2.gz NSKPCSKIROMUPZ-AVRDEDQJSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000769105610 1045880664 /nfs/dbraw/zinc/88/06/64/1045880664.db2.gz NSKPCSKIROMUPZ-AVRDEDQJSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769213668 1045896075 /nfs/dbraw/zinc/89/60/75/1045896075.db2.gz VVUQLIVTTYWIEE-JTHBVZDNSA-N 1 1 349.474 4.298 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193644 1045921322 /nfs/dbraw/zinc/92/13/22/1045921322.db2.gz INMZARCSSUAOSI-DOTOQJQBSA-N 1 1 327.390 4.212 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000769396221 1045966908 /nfs/dbraw/zinc/96/69/08/1045966908.db2.gz JZXPUFPPRLKYKJ-LJQANCHMSA-N 1 1 337.442 4.165 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000769513361 1046007998 /nfs/dbraw/zinc/00/79/98/1046007998.db2.gz BNJSCWVLABJYJH-JXFKEZNVSA-N 1 1 341.476 4.112 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000769513361 1046008012 /nfs/dbraw/zinc/00/80/12/1046008012.db2.gz BNJSCWVLABJYJH-JXFKEZNVSA-N 1 1 341.476 4.112 20 30 EIEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394783 1046029019 /nfs/dbraw/zinc/02/90/19/1046029019.db2.gz AKRROCPGFZAYKB-UHFFFAOYSA-N 1 1 348.446 4.251 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001170379065 1046033553 /nfs/dbraw/zinc/03/35/53/1046033553.db2.gz OXYJMSXKAOJPEO-LXPRWKDFSA-N 1 1 336.401 4.460 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001170379131 1046034138 /nfs/dbraw/zinc/03/41/38/1046034138.db2.gz RCOBWMGFGVTPGM-ADKAHSJRSA-N 1 1 336.401 4.460 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001170379131 1046034155 /nfs/dbraw/zinc/03/41/55/1046034155.db2.gz RCOBWMGFGVTPGM-ADKAHSJRSA-N 1 1 336.401 4.460 20 30 EIEDMO C[C@@H]1[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000769785783 1046071609 /nfs/dbraw/zinc/07/16/09/1046071609.db2.gz DVWBSRWXZNWDBR-HZPDHXFCSA-N 1 1 337.508 4.036 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496927717 1046105945 /nfs/dbraw/zinc/10/59/45/1046105945.db2.gz OIMWBJGSBMQBNP-UHFFFAOYSA-N 1 1 337.508 4.038 20 30 EIEDMO C=CC[C@H]1[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953416 1046108056 /nfs/dbraw/zinc/10/80/56/1046108056.db2.gz LYLBJUQWDSIHQR-ZWKOTPCHSA-N 1 1 328.456 4.079 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000270 1046125859 /nfs/dbraw/zinc/12/58/59/1046125859.db2.gz AVVCPUISESOAML-UXHICEINSA-N 1 1 340.854 4.472 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000770289163 1046169755 /nfs/dbraw/zinc/16/97/55/1046169755.db2.gz CHLSNTLVPFCWSD-FXAWDEMLSA-N 1 1 340.492 4.488 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000770292825 1046174434 /nfs/dbraw/zinc/17/44/34/1046174434.db2.gz UCWAAUDKICMNBB-HKUYNNGSSA-N 1 1 343.492 4.401 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](CSC)C2)c1O ZINC000793796387 1046334028 /nfs/dbraw/zinc/33/40/28/1046334028.db2.gz KUZIFMLOZJYOEC-OAHLLOKOSA-N 1 1 335.513 4.094 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](CSC)C2)c1O ZINC000793796386 1046335004 /nfs/dbraw/zinc/33/50/04/1046335004.db2.gz KUZIFMLOZJYOEC-HNNXBMFYSA-N 1 1 335.513 4.094 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1OC ZINC000916838056 1046379317 /nfs/dbraw/zinc/37/93/17/1046379317.db2.gz DNRKQBGJJSUXKC-CYBMUJFWSA-N 1 1 333.378 4.389 20 30 EIEDMO C=C(C)[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000772188358 1046579736 /nfs/dbraw/zinc/57/97/36/1046579736.db2.gz ZRTCFZYNUFOILT-KRWDZBQOSA-N 1 1 330.382 4.084 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 ZINC001129597825 1046600887 /nfs/dbraw/zinc/60/08/87/1046600887.db2.gz OGKKBLGJQPZLOW-UHFFFAOYSA-N 1 1 339.414 4.182 20 30 EIEDMO CCc1ccc(C2=CC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000772357983 1046618700 /nfs/dbraw/zinc/61/87/00/1046618700.db2.gz VBJHXBVRSHIYLR-UHFFFAOYSA-N 1 1 332.447 4.441 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459457933 1046698732 /nfs/dbraw/zinc/69/87/32/1046698732.db2.gz DXGBENGQAFLUDT-QSFXBCCZSA-N 1 1 333.435 4.282 20 30 EIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384290 1046767627 /nfs/dbraw/zinc/76/76/27/1046767627.db2.gz GXWZHVZNZOHFNR-FQEVSTJZSA-N 1 1 341.499 4.000 20 30 EIEDMO C=CCCC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786478831 1046840208 /nfs/dbraw/zinc/84/02/08/1046840208.db2.gz TXLUGGSTBRWHEJ-GFCCVEGCSA-N 1 1 335.354 4.107 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459692925 1046858918 /nfs/dbraw/zinc/85/89/18/1046858918.db2.gz IIKVXSINRLZTLB-UXHICEINSA-N 1 1 326.484 4.355 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617765 1046892612 /nfs/dbraw/zinc/89/26/12/1046892612.db2.gz AWMQMUIRYRIRBH-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617765 1046892615 /nfs/dbraw/zinc/89/26/15/1046892615.db2.gz AWMQMUIRYRIRBH-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000537037583 1046907899 /nfs/dbraw/zinc/90/78/99/1046907899.db2.gz OTNLKZHWKKDWTI-INIZCTEOSA-N 1 1 334.891 4.233 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000746659507 1046926921 /nfs/dbraw/zinc/92/69/21/1046926921.db2.gz WAOYEAHEINGNCR-QRWLVFNGSA-N 1 1 326.415 4.122 20 30 EIEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000746665505 1046976215 /nfs/dbraw/zinc/97/62/15/1046976215.db2.gz CKCNJFPZQXYMCE-HOTGVXAUSA-N 1 1 337.508 4.084 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203670 1047038959 /nfs/dbraw/zinc/03/89/59/1047038959.db2.gz JZGJPHGRZCABPU-XMSQKQJNSA-N 1 1 349.478 4.302 20 30 EIEDMO C[C@]1(COC(=O)CCCCCC#N)CCCC[N@H+]1Cc1ccccc1 ZINC000805914311 1047052700 /nfs/dbraw/zinc/05/27/00/1047052700.db2.gz GZMOMVRIGXQZDH-OAQYLSRUSA-N 1 1 342.483 4.448 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)CCCCCC#N)C1 ZINC000805917625 1047055071 /nfs/dbraw/zinc/05/50/71/1047055071.db2.gz SYINUIGCMNULBV-YLJYHZDGSA-N 1 1 346.446 4.179 20 30 EIEDMO Cc1ccccc1C[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000746710067 1047063617 /nfs/dbraw/zinc/06/36/17/1047063617.db2.gz UWOMMCOMBUXVJZ-UHFFFAOYSA-N 1 1 342.446 4.352 20 30 EIEDMO Cc1ccccc1C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000746710067 1047063635 /nfs/dbraw/zinc/06/36/35/1047063635.db2.gz UWOMMCOMBUXVJZ-UHFFFAOYSA-N 1 1 342.446 4.352 20 30 EIEDMO C[C@H]1C[C@@H]1c1ccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296856 1047078459 /nfs/dbraw/zinc/07/84/59/1047078459.db2.gz HXPSNRQBWJVOKA-KKSFZXQISA-N 1 1 349.478 4.029 20 30 EIEDMO N#Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788119840 1047110467 /nfs/dbraw/zinc/11/04/67/1047110467.db2.gz ONXHFYFUKPLYDN-ROUUACIJSA-N 1 1 346.430 4.009 20 30 EIEDMO C=CCN1CCC([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497871121 1047145843 /nfs/dbraw/zinc/14/58/43/1047145843.db2.gz ZETRLFDBPZHZMR-QFIPXVFZSA-N 1 1 347.462 4.157 20 30 EIEDMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537407930 1047199051 /nfs/dbraw/zinc/19/90/51/1047199051.db2.gz YAVNEACBHJSDLU-HZPDHXFCSA-N 1 1 339.458 4.477 20 30 EIEDMO C[C@H](CCC#N)CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897568070 1047264096 /nfs/dbraw/zinc/26/40/96/1047264096.db2.gz GGRAJXZURSESDK-LJQANCHMSA-N 1 1 325.500 4.013 20 30 EIEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788802013 1047306484 /nfs/dbraw/zinc/30/64/84/1047306484.db2.gz NMZPAZPCVPTNDB-HSMVNMDESA-N 1 1 329.362 4.043 20 30 EIEDMO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000788814220 1047326811 /nfs/dbraw/zinc/32/68/11/1047326811.db2.gz KIGSQDBSCNQCIM-HIFPTAJRSA-N 1 1 326.362 4.392 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446517 1047396619 /nfs/dbraw/zinc/39/66/19/1047396619.db2.gz DIEGVEGUCYZOFG-UHFFFAOYSA-N 1 1 341.252 4.485 20 30 EIEDMO C[N@H+](Cc1ccc(CSC(F)F)o1)Cc1cc(C#N)cs1 ZINC000897626392 1047398633 /nfs/dbraw/zinc/39/86/33/1047398633.db2.gz YXNOQKPCPJHKGH-UHFFFAOYSA-N 1 1 328.409 4.301 20 30 EIEDMO C[N@@H+](Cc1ccc(CSC(F)F)o1)Cc1cc(C#N)cs1 ZINC000897626392 1047398648 /nfs/dbraw/zinc/39/86/48/1047398648.db2.gz YXNOQKPCPJHKGH-UHFFFAOYSA-N 1 1 328.409 4.301 20 30 EIEDMO CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000807991561 1047565793 /nfs/dbraw/zinc/56/57/93/1047565793.db2.gz OAHZBNKKVZMUMV-UHFFFAOYSA-N 1 1 349.394 4.233 20 30 EIEDMO C[N@@H+](Cc1cc(Br)ccc1F)CC(C)(C)CCC#N ZINC000130391138 1047705621 /nfs/dbraw/zinc/70/56/21/1047705621.db2.gz XCARTXSLNXYZQV-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000556407269 1047732335 /nfs/dbraw/zinc/73/23/35/1047732335.db2.gz DEUMNTQIQZMTBE-UHFFFAOYSA-N 1 1 331.444 4.461 20 30 EIEDMO C#CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000154887989 1047743715 /nfs/dbraw/zinc/74/37/15/1047743715.db2.gz WSORSZUFKUPZDJ-OAQYLSRUSA-N 1 1 344.462 4.135 20 30 EIEDMO FC1(c2cccnc2)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000556543036 1047813664 /nfs/dbraw/zinc/81/36/64/1047813664.db2.gz QTVGDYBJCCCWLF-UHFFFAOYSA-N 1 1 328.818 4.047 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001136976502 1048017005 /nfs/dbraw/zinc/01/70/05/1048017005.db2.gz CYYVCJZHSNFKPN-HXUWFJFHSA-N 1 1 345.446 4.391 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001127522723 1048089655 /nfs/dbraw/zinc/08/96/55/1048089655.db2.gz JYTOPDFXSQAOIO-HMXCVIKNSA-N 1 1 342.527 4.396 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCCCC#N)C2)C1 ZINC000814673338 1048111829 /nfs/dbraw/zinc/11/18/29/1048111829.db2.gz IDXNPGABOCERQR-QZTJIDSGSA-N 1 1 349.519 4.039 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1C(F)(F)F ZINC001143352694 1048112704 /nfs/dbraw/zinc/11/27/04/1048112704.db2.gz XEPXRCSAFDAGAJ-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COC1(c2ccccc2)CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731059 1048177484 /nfs/dbraw/zinc/17/74/84/1048177484.db2.gz KKDCKYNSQWFBKU-UHFFFAOYSA-N 1 1 340.854 4.349 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCCc2ccc(F)cc21 ZINC001170768621 1048205723 /nfs/dbraw/zinc/20/57/23/1048205723.db2.gz BNEXKGCDIKEDLX-NRFANRHFSA-N 1 1 338.426 4.223 20 30 EIEDMO CC(C)c1nccnc1N=NC1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814917383 1048256543 /nfs/dbraw/zinc/25/65/43/1048256543.db2.gz UREPNQZIGOGBDH-MRXNPFEDSA-N 1 1 337.471 4.052 20 30 EIEDMO C[C@H](c1cccc(Cl)c1F)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370155 1048294942 /nfs/dbraw/zinc/29/49/42/1048294942.db2.gz GEGACZAEIPXDAS-PXAZEXFGSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370159 1048296312 /nfs/dbraw/zinc/29/63/12/1048296312.db2.gz GEGACZAEIPXDAS-SJCJKPOMSA-N 1 1 332.806 4.077 20 30 EIEDMO Cc1c(C[N@@H+]2CCc3cc(C#N)ccc3C2)cccc1C(F)(F)F ZINC001143922603 1048304070 /nfs/dbraw/zinc/30/40/70/1048304070.db2.gz MYDJAMYLZYSOJV-UHFFFAOYSA-N 1 1 330.353 4.444 20 30 EIEDMO Cc1c(C[N@H+]2CCc3cc(C#N)ccc3C2)cccc1C(F)(F)F ZINC001143922603 1048304081 /nfs/dbraw/zinc/30/40/81/1048304081.db2.gz MYDJAMYLZYSOJV-UHFFFAOYSA-N 1 1 330.353 4.444 20 30 EIEDMO C=C(C)C[N@H+](C[C@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1 ZINC001171143184 1048452173 /nfs/dbraw/zinc/45/21/73/1048452173.db2.gz JHBCGTZQSKQGCH-AVRDEDQJSA-N 1 1 339.479 4.238 20 30 EIEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000809686021 1048473540 /nfs/dbraw/zinc/47/35/40/1048473540.db2.gz IMBNIWMSXLIRTJ-CYBMUJFWSA-N 1 1 335.270 4.074 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737662 1048508804 /nfs/dbraw/zinc/50/88/04/1048508804.db2.gz INUXTCIMCGARCE-MRXNPFEDSA-N 1 1 336.435 4.095 20 30 EIEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1Br ZINC001144230154 1048526443 /nfs/dbraw/zinc/52/64/43/1048526443.db2.gz HNNHQCZEFHMUBW-UHFFFAOYSA-N 1 1 337.261 4.116 20 30 EIEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1Br ZINC001144230154 1048526454 /nfs/dbraw/zinc/52/64/54/1048526454.db2.gz HNNHQCZEFHMUBW-UHFFFAOYSA-N 1 1 337.261 4.116 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1O ZINC000815595040 1048530474 /nfs/dbraw/zinc/53/04/74/1048530474.db2.gz GGNSNUHDYKEYTR-JTQLQIEISA-N 1 1 338.304 4.273 20 30 EIEDMO C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809789719 1048533842 /nfs/dbraw/zinc/53/38/42/1048533842.db2.gz ASXAAJJUAABVSU-IYBDPMFKSA-N 1 1 325.374 4.252 20 30 EIEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000809789896 1048533942 /nfs/dbraw/zinc/53/39/42/1048533942.db2.gz MKHRPBKGUWVWCJ-IYBDPMFKSA-N 1 1 325.374 4.252 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C(C)(C)C)cc1 ZINC000809792418 1048536482 /nfs/dbraw/zinc/53/64/82/1048536482.db2.gz VCAULOWSRVFTCL-UHFFFAOYSA-N 1 1 348.450 4.015 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cn1 ZINC001144263015 1048544635 /nfs/dbraw/zinc/54/46/35/1048544635.db2.gz MDPMLOFXRJPQFV-QGZVFWFLSA-N 1 1 343.430 4.422 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cn1 ZINC001144263015 1048544647 /nfs/dbraw/zinc/54/46/47/1048544647.db2.gz MDPMLOFXRJPQFV-QGZVFWFLSA-N 1 1 343.430 4.422 20 30 EIEDMO Cn1c[nH+]c2cc(NCc3ccc(C#N)cc3C(F)(F)F)ccc21 ZINC000810150149 1048656931 /nfs/dbraw/zinc/65/69/31/1048656931.db2.gz OFKODYMEOOWLGO-UHFFFAOYSA-N 1 1 330.313 4.076 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001171204196 1048771731 /nfs/dbraw/zinc/77/17/31/1048771731.db2.gz UJQBBVRXCJVVPZ-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccc(Br)cc2C1 ZINC001171204196 1048771742 /nfs/dbraw/zinc/77/17/42/1048771742.db2.gz UJQBBVRXCJVVPZ-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO Cc1cc2cc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005583 1048787319 /nfs/dbraw/zinc/78/73/19/1048787319.db2.gz ADERVUGONSOXRH-HXUWFJFHSA-N 1 1 334.419 4.087 20 30 EIEDMO CC1(C)CC(/N=C\c2cc(Cl)cc(Cl)c2O)CC(C)(C)[NH2+]1 ZINC000920946018 1048819431 /nfs/dbraw/zinc/81/94/31/1048819431.db2.gz OOFSCPOIUMZWSX-OCKHKDLRSA-N 1 1 329.271 4.427 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001171216754 1048839465 /nfs/dbraw/zinc/83/94/65/1048839465.db2.gz KNAIPQZYXPGWRO-XXMUNEJQSA-N 1 1 338.495 4.016 20 30 EIEDMO C=CCC1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCC1 ZINC001135643144 1048843250 /nfs/dbraw/zinc/84/32/50/1048843250.db2.gz RNFYVGBUIWUICK-UHFFFAOYSA-N 1 1 348.490 4.230 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001171223323 1048860903 /nfs/dbraw/zinc/86/09/03/1048860903.db2.gz MRKWGDDQUVUJBT-AVRDEDQJSA-N 1 1 334.463 4.170 20 30 EIEDMO COc1cccc(C[C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231681 1048871142 /nfs/dbraw/zinc/87/11/42/1048871142.db2.gz KRFGOUQVAOMVIN-XMSQKQJNSA-N 1 1 348.490 4.453 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233149 1048872385 /nfs/dbraw/zinc/87/23/85/1048872385.db2.gz ZHWVKXSCCHRXSS-UTKZUKDTSA-N 1 1 334.463 4.377 20 30 EIEDMO COc1cccc([C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233147 1048872705 /nfs/dbraw/zinc/87/27/05/1048872705.db2.gz ZHWVKXSCCHRXSS-DYESRHJHSA-N 1 1 334.463 4.377 20 30 EIEDMO COc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1Cl ZINC001171240887 1048884414 /nfs/dbraw/zinc/88/44/14/1048884414.db2.gz YIEVXSYAOCZQDP-UHFFFAOYSA-N 1 1 344.842 4.121 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)(C)C ZINC000134458493 1048960162 /nfs/dbraw/zinc/96/01/62/1048960162.db2.gz WQOWGIQXGDRPKA-UHFFFAOYSA-N 1 1 347.528 4.245 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000077285750 1049001301 /nfs/dbraw/zinc/00/13/01/1049001301.db2.gz KJADBVMWNOIROM-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000077285750 1049001311 /nfs/dbraw/zinc/00/13/11/1049001311.db2.gz KJADBVMWNOIROM-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H](C)c2ccncc2Cl)cc(OC)c1OC ZINC000817578607 1049010794 /nfs/dbraw/zinc/01/07/94/1049010794.db2.gz MEAPWTXMSRTAFZ-ZDUSSCGKSA-N 1 1 346.858 4.332 20 30 EIEDMO C=CC1(CC(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)CCCCC1 ZINC001146343203 1049020101 /nfs/dbraw/zinc/02/01/01/1049020101.db2.gz CJHLGZLICXZWLW-GOSISDBHSA-N 1 1 341.499 4.320 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)cc1 ZINC001171278774 1049037690 /nfs/dbraw/zinc/03/76/90/1049037690.db2.gz RJVACOUGRKDWOV-OAQYLSRUSA-N 1 1 346.474 4.265 20 30 EIEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170879735 1049046985 /nfs/dbraw/zinc/04/69/85/1049046985.db2.gz RGGCIILTYZGPJG-SFHVURJKSA-N 1 1 347.300 4.465 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccccc1C(C)(C)C#N ZINC000135125290 1049073830 /nfs/dbraw/zinc/07/38/30/1049073830.db2.gz KVGMTABLNOSYSQ-UHFFFAOYSA-N 1 1 347.256 4.475 20 30 EIEDMO CCCCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000818006076 1049085237 /nfs/dbraw/zinc/08/52/37/1049085237.db2.gz XECFMQWSFMYDLD-LJQANCHMSA-N 1 1 331.504 4.085 20 30 EIEDMO CCCCCCCCC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000811622208 1049164652 /nfs/dbraw/zinc/16/46/52/1049164652.db2.gz DIGDSRIETVNRHF-UHFFFAOYSA-N 1 1 331.504 4.357 20 30 EIEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001171307665 1049170292 /nfs/dbraw/zinc/17/02/92/1049170292.db2.gz NPCRKXDLHYMSBU-IRXDYDNUSA-N 1 1 334.504 4.293 20 30 EIEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001171307659 1049171647 /nfs/dbraw/zinc/17/16/47/1049171647.db2.gz NPCRKXDLHYMSBU-DLBZAZTESA-N 1 1 334.504 4.293 20 30 EIEDMO COc1ccc(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)cc1O ZINC000811699800 1049243099 /nfs/dbraw/zinc/24/30/99/1049243099.db2.gz ZRKWXHLMWFYBDR-CMDGGOBGSA-N 1 1 336.391 4.068 20 30 EIEDMO C[C@H]1SCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829488 1049348510 /nfs/dbraw/zinc/34/85/10/1049348510.db2.gz XPHRXLKLMOZRFP-UZLBHIALSA-N 1 1 338.476 4.116 20 30 EIEDMO C=C[C@@H](CC)CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252077 1049358146 /nfs/dbraw/zinc/35/81/46/1049358146.db2.gz AAKUTWMAAASHTI-OTWHNJEPSA-N 1 1 342.527 4.383 20 30 EIEDMO C[C@H](NN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818479 1049375623 /nfs/dbraw/zinc/37/56/23/1049375623.db2.gz MQOFMYBKSABSNY-KKSFZXQISA-N 1 1 334.467 4.088 20 30 EIEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000064631662 1049379453 /nfs/dbraw/zinc/37/94/53/1049379453.db2.gz GWZGOCXDXRJHOM-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749781 1049517870 /nfs/dbraw/zinc/51/78/70/1049517870.db2.gz SGAGQWNWCMHWAT-KDOFPFPSSA-N 1 1 341.842 4.220 20 30 EIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749781 1049517885 /nfs/dbraw/zinc/51/78/85/1049517885.db2.gz SGAGQWNWCMHWAT-KDOFPFPSSA-N 1 1 341.842 4.220 20 30 EIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000610132773 1049556612 /nfs/dbraw/zinc/55/66/12/1049556612.db2.gz CTUBOCMZSQCFIQ-OAHLLOKOSA-N 1 1 342.414 4.168 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O[C@@H](C)CC)c1)c1ccc(F)cc1 ZINC000812792658 1049580094 /nfs/dbraw/zinc/58/00/94/1049580094.db2.gz GARZSJQCEYPJRC-HNAYVOBHSA-N 1 1 341.426 4.476 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC)c1)c1ccc(F)cc1 ZINC000812793457 1049588655 /nfs/dbraw/zinc/58/86/55/1049588655.db2.gz UYGWAHJGDKPUMU-LJQANCHMSA-N 1 1 341.426 4.477 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(F)cc1 ZINC000812794952 1049594465 /nfs/dbraw/zinc/59/44/65/1049594465.db2.gz JQZCJJKEDQORRD-IBGZPJMESA-N 1 1 339.410 4.245 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465943 1049663154 /nfs/dbraw/zinc/66/31/54/1049663154.db2.gz ZEKFHFDODUHLHM-QUCCMNQESA-N 1 1 328.500 4.117 20 30 EIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237658108 1049693309 /nfs/dbraw/zinc/69/33/09/1049693309.db2.gz GLDQYRWLGAANRH-UHFFFAOYSA-N 1 1 330.859 4.340 20 30 EIEDMO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000773303097 1049701295 /nfs/dbraw/zinc/70/12/95/1049701295.db2.gz FTXJISRUKMBTLW-LJQANCHMSA-N 1 1 346.902 4.004 20 30 EIEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)[nH]c2ccccc23)cc1 ZINC001170984716 1049751266 /nfs/dbraw/zinc/75/12/66/1049751266.db2.gz YDGLIMVXOUZXOD-UHFFFAOYSA-N 1 1 343.386 4.145 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171806473 1049808102 /nfs/dbraw/zinc/80/81/02/1049808102.db2.gz FXMFGDZSBGCPBZ-QGZVFWFLSA-N 1 1 328.818 4.362 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171806473 1049808107 /nfs/dbraw/zinc/80/81/07/1049808107.db2.gz FXMFGDZSBGCPBZ-QGZVFWFLSA-N 1 1 328.818 4.362 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171806472 1049808413 /nfs/dbraw/zinc/80/84/13/1049808413.db2.gz FXMFGDZSBGCPBZ-KRWDZBQOSA-N 1 1 328.818 4.362 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171806472 1049808418 /nfs/dbraw/zinc/80/84/18/1049808418.db2.gz FXMFGDZSBGCPBZ-KRWDZBQOSA-N 1 1 328.818 4.362 20 30 EIEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000822956957 1049811633 /nfs/dbraw/zinc/81/16/33/1049811633.db2.gz SDYNNHVJFDFUKM-KRWDZBQOSA-N 1 1 340.427 4.142 20 30 EIEDMO C=C(C)C[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121159 1049826016 /nfs/dbraw/zinc/82/60/16/1049826016.db2.gz GSWVKGTZTSSMND-HNNXBMFYSA-N 1 1 330.303 4.426 20 30 EIEDMO CC1(C)C[C@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC001171974681 1049836119 /nfs/dbraw/zinc/83/61/19/1049836119.db2.gz AEQVPNKYPUNPLV-GOSISDBHSA-N 1 1 339.508 4.153 20 30 EIEDMO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC001171974681 1049836125 /nfs/dbraw/zinc/83/61/25/1049836125.db2.gz AEQVPNKYPUNPLV-GOSISDBHSA-N 1 1 339.508 4.153 20 30 EIEDMO CCC[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071517 1049843791 /nfs/dbraw/zinc/84/37/91/1049843791.db2.gz XGPCYWWDTDBPJF-PLACYPQZSA-N 1 1 325.500 4.244 20 30 EIEDMO CC1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172076914 1049844923 /nfs/dbraw/zinc/84/49/23/1049844923.db2.gz BAGOYTPPDMFNDV-WKCHPHFGSA-N 1 1 337.511 4.198 20 30 EIEDMO CC1(C#N)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076914 1049844926 /nfs/dbraw/zinc/84/49/26/1049844926.db2.gz BAGOYTPPDMFNDV-WKCHPHFGSA-N 1 1 337.511 4.198 20 30 EIEDMO CC1(C#N)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076914 1049844935 /nfs/dbraw/zinc/84/49/35/1049844935.db2.gz BAGOYTPPDMFNDV-WKCHPHFGSA-N 1 1 337.511 4.198 20 30 EIEDMO N#C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064545 1049851142 /nfs/dbraw/zinc/85/11/42/1049851142.db2.gz HCKZMSMNWNSXET-BJESRGMDSA-N 1 1 345.490 4.427 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180202622 1049860954 /nfs/dbraw/zinc/86/09/54/1049860954.db2.gz HUYAGBIXLVAWSS-MJGOQNOKSA-N 1 1 335.451 4.054 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000823616830 1049862982 /nfs/dbraw/zinc/86/29/82/1049862982.db2.gz CCJBUJOEXBWJLM-XIKOKIGWSA-N 1 1 332.806 4.077 20 30 EIEDMO C=CCCC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001136755518 1049865083 /nfs/dbraw/zinc/86/50/83/1049865083.db2.gz YWYQLEPDJKGWML-UXHICEINSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172309388 1049874445 /nfs/dbraw/zinc/87/44/45/1049874445.db2.gz SNDTTXJDVAUFJZ-XXMUNEJQSA-N 1 1 338.495 4.016 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172310005 1049874949 /nfs/dbraw/zinc/87/49/49/1049874949.db2.gz ZFOAQLDOJNJPBH-WZONZLPQSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172310958 1049875602 /nfs/dbraw/zinc/87/56/02/1049875602.db2.gz MGPBTJCXMJGQGX-ROUUACIJSA-N 1 1 344.462 4.409 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001172319309 1049877295 /nfs/dbraw/zinc/87/72/95/1049877295.db2.gz MJGDZYXNNUSXJC-SFHVURJKSA-N 1 1 334.463 4.170 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001172354845 1049893267 /nfs/dbraw/zinc/89/32/67/1049893267.db2.gz KWHWVLOTXGOSBX-QGZVFWFLSA-N 1 1 344.503 4.417 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001172355103 1049893948 /nfs/dbraw/zinc/89/39/48/1049893948.db2.gz NEEGEPUMAUXWIP-RBUKOAKNSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001172355102 1049894413 /nfs/dbraw/zinc/89/44/13/1049894413.db2.gz NEEGEPUMAUXWIP-OALUTQOASA-N 1 1 335.536 4.491 20 30 EIEDMO C=C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC001136812373 1049894942 /nfs/dbraw/zinc/89/49/42/1049894942.db2.gz CYDKLVVAWDBKCF-ZVDOUQERSA-N 1 1 340.511 4.069 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001172362009 1049896145 /nfs/dbraw/zinc/89/61/45/1049896145.db2.gz QSEHTDKLNVCKFH-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001172362009 1049896147 /nfs/dbraw/zinc/89/61/47/1049896147.db2.gz QSEHTDKLNVCKFH-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H](CC)CC(C)C)CC2 ZINC001172397540 1049906796 /nfs/dbraw/zinc/90/67/96/1049906796.db2.gz AKKDRCGCIPIOSZ-GOSISDBHSA-N 1 1 345.531 4.179 20 30 EIEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491860 1049922023 /nfs/dbraw/zinc/92/20/23/1049922023.db2.gz KEGIOHABIQSAFK-AWEZNQCLSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001172497506 1049922034 /nfs/dbraw/zinc/92/20/34/1049922034.db2.gz CLUXSEFHCOXWFN-JRGCBEDISA-N 1 1 326.484 4.181 20 30 EIEDMO CCCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001172506089 1049923902 /nfs/dbraw/zinc/92/39/02/1049923902.db2.gz NFKOOGWPZGNHNA-QGZVFWFLSA-N 1 1 327.509 4.218 20 30 EIEDMO CCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172503351 1049924103 /nfs/dbraw/zinc/92/41/03/1049924103.db2.gz FMXMLAXIECFQGX-SJORKVTESA-N 1 1 337.508 4.038 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172505569 1049924376 /nfs/dbraw/zinc/92/43/76/1049924376.db2.gz PHTGKEFLZWMXEK-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172505525 1049924610 /nfs/dbraw/zinc/92/46/10/1049924610.db2.gz ONNDIMXWNVSUBM-ROUUACIJSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172505878 1049924622 /nfs/dbraw/zinc/92/46/22/1049924622.db2.gz WMOWHEFGMLGWAK-MOPGFXCFSA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001172510334 1049925078 /nfs/dbraw/zinc/92/50/78/1049925078.db2.gz ZYBPXSSEYSAGPD-HNNXBMFYSA-N 1 1 343.471 4.474 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001172509773 1049925878 /nfs/dbraw/zinc/92/58/78/1049925878.db2.gz QIDSFALZKVVLHL-BBRMVZONSA-N 1 1 326.362 4.161 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001172509773 1049925883 /nfs/dbraw/zinc/92/58/83/1049925883.db2.gz QIDSFALZKVVLHL-BBRMVZONSA-N 1 1 326.362 4.161 20 30 EIEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549110 1049947763 /nfs/dbraw/zinc/94/77/63/1049947763.db2.gz MPLDTCQEMWZCDN-AQNXPRMDSA-N 1 1 342.483 4.089 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000246437892 1049973242 /nfs/dbraw/zinc/97/32/42/1049973242.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000246437892 1049973250 /nfs/dbraw/zinc/97/32/50/1049973250.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248119511 1050042843 /nfs/dbraw/zinc/04/28/43/1050042843.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248119511 1050042847 /nfs/dbraw/zinc/04/28/47/1050042847.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248119511 1050042858 /nfs/dbraw/zinc/04/28/58/1050042858.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248119511 1050042863 /nfs/dbraw/zinc/04/28/63/1050042863.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1 ZINC001212325619 1050062496 /nfs/dbraw/zinc/06/24/96/1050062496.db2.gz XUHROILSEXNPCM-SFHVURJKSA-N 1 1 335.382 4.346 20 30 EIEDMO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000069337612 1050069400 /nfs/dbraw/zinc/06/94/00/1050069400.db2.gz PYSPWPBJALRLHB-KRWDZBQOSA-N 1 1 344.499 4.371 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000080632727 1050113246 /nfs/dbraw/zinc/11/32/46/1050113246.db2.gz RJMWLNLHVMDTLQ-HNNXBMFYSA-N 1 1 339.302 4.233 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493922 1050115365 /nfs/dbraw/zinc/11/53/65/1050115365.db2.gz UNXSTSJRZQIRLY-VBKZILBWSA-N 1 1 340.854 4.471 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1Br ZINC000181514914 1050171292 /nfs/dbraw/zinc/17/12/92/1050171292.db2.gz VOFHRVVQVSMWKK-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001185913982 1050193717 /nfs/dbraw/zinc/19/37/17/1050193717.db2.gz GLDUZGKCUFBQOI-LQBOVUBWSA-N 1 1 349.453 4.410 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181568163 1050205135 /nfs/dbraw/zinc/20/51/35/1050205135.db2.gz KOVQOETWIRNPNC-CYBMUJFWSA-N 1 1 342.389 4.476 20 30 EIEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910139 1050246837 /nfs/dbraw/zinc/24/68/37/1050246837.db2.gz KDULDASUPXXYJG-SFHVURJKSA-N 1 1 327.428 4.000 20 30 EIEDMO C[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091986772 1050296660 /nfs/dbraw/zinc/29/66/60/1050296660.db2.gz XBKPLXZOFQJXQB-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091986772 1050296668 /nfs/dbraw/zinc/29/66/68/1050296668.db2.gz XBKPLXZOFQJXQB-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO Cc1cc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000618192282 1050306766 /nfs/dbraw/zinc/30/67/66/1050306766.db2.gz ALWNNMOZELASCV-QFIPXVFZSA-N 1 1 333.479 4.184 20 30 EIEDMO N#CC(CC[N@H+]1CCC12CCOCC2)(c1ccccc1)c1ccccc1 ZINC000618318227 1050340578 /nfs/dbraw/zinc/34/05/78/1050340578.db2.gz JSUZRGASGNPOFF-UHFFFAOYSA-N 1 1 346.474 4.141 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001173326542 1050418347 /nfs/dbraw/zinc/41/83/47/1050418347.db2.gz JSTYKLAAPLPCAO-CBNMVNINSA-N 1 1 329.484 4.181 20 30 EIEDMO C=CCOC1CCC([N@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001173323558 1050418749 /nfs/dbraw/zinc/41/87/49/1050418749.db2.gz DGTLSYAVBMTORI-KKXNLOMOSA-N 1 1 347.499 4.046 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)cc1 ZINC001173336534 1050424283 /nfs/dbraw/zinc/42/42/83/1050424283.db2.gz CQOYKNCPQDEXGV-SKINQDTJSA-N 1 1 326.484 4.422 20 30 EIEDMO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594223 1050429325 /nfs/dbraw/zinc/42/93/25/1050429325.db2.gz SYNJTYFXFGOAGE-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594223 1050429336 /nfs/dbraw/zinc/42/93/36/1050429336.db2.gz SYNJTYFXFGOAGE-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001173319958 1050441130 /nfs/dbraw/zinc/44/11/30/1050441130.db2.gz BSXQHTOVBGOKEW-ACBHZAAOSA-N 1 1 345.483 4.355 20 30 EIEDMO CCCCC[N@@H+](CCNc1cc(C#N)cc(C)n1)Cc1ccccc1 ZINC001186937535 1050444265 /nfs/dbraw/zinc/44/42/65/1050444265.db2.gz ARZMEBZWZALRSA-UHFFFAOYSA-N 1 1 336.483 4.366 20 30 EIEDMO C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173594118 1050496352 /nfs/dbraw/zinc/49/63/52/1050496352.db2.gz RZOWMRFSCPBITN-UHFFFAOYSA-N 1 1 349.519 4.038 20 30 EIEDMO CC1(C#N)CCC([NH+]2CC(Oc3ccccc3C(F)(F)F)C2)CC1 ZINC001173596100 1050497334 /nfs/dbraw/zinc/49/73/34/1050497334.db2.gz JLQKINVUCAVVEK-UHFFFAOYSA-N 1 1 338.373 4.241 20 30 EIEDMO CC1(C#N)CCC(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001173596985 1050499419 /nfs/dbraw/zinc/49/94/19/1050499419.db2.gz CTMAADZKNADXGD-NJEKYYFSSA-N 1 1 337.511 4.154 20 30 EIEDMO CC[N@@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173598247 1050500210 /nfs/dbraw/zinc/50/02/10/1050500210.db2.gz OGAPDVKEGMCMJS-OHTSDLOESA-N 1 1 349.519 4.180 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000618741735 1050501135 /nfs/dbraw/zinc/50/11/35/1050501135.db2.gz MAFFWTSVAACMPH-GOSISDBHSA-N 1 1 331.444 4.459 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)ccc1Br ZINC000618741546 1050501231 /nfs/dbraw/zinc/50/12/31/1050501231.db2.gz GXTJUYRKUCIQSS-QGZVFWFLSA-N 1 1 345.215 4.237 20 30 EIEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173601671 1050501412 /nfs/dbraw/zinc/50/14/12/1050501412.db2.gz ZCEODCDQLXRIQT-OHTSDLOESA-N 1 1 349.519 4.180 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000618742974 1050503636 /nfs/dbraw/zinc/50/36/36/1050503636.db2.gz UKLCEIMSVPPZQH-IBGZPJMESA-N 1 1 331.444 4.459 20 30 EIEDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000763502382 1050530193 /nfs/dbraw/zinc/53/01/93/1050530193.db2.gz UPPPAZCVEOUWQU-QFIPXVFZSA-N 1 1 346.430 4.196 20 30 EIEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000093303295 1050557844 /nfs/dbraw/zinc/55/78/44/1050557844.db2.gz BQFHZQKQFAMALQ-SFHVURJKSA-N 1 1 336.479 4.261 20 30 EIEDMO CCC[N@@H+](CCC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789467 1050571967 /nfs/dbraw/zinc/57/19/67/1050571967.db2.gz JENDLTDTPCLVCS-UHFFFAOYSA-N 1 1 328.456 4.264 20 30 EIEDMO CCCC[N@H+](CC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173794283 1050574849 /nfs/dbraw/zinc/57/48/49/1050574849.db2.gz PBTZVIZOCLCQHK-UHFFFAOYSA-N 1 1 328.456 4.264 20 30 EIEDMO CCCC[N@@H+](CC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173794283 1050574861 /nfs/dbraw/zinc/57/48/61/1050574861.db2.gz PBTZVIZOCLCQHK-UHFFFAOYSA-N 1 1 328.456 4.264 20 30 EIEDMO Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562571 1050715511 /nfs/dbraw/zinc/71/55/11/1050715511.db2.gz GFAVJWWIXLENNE-NRFANRHFSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562571 1050715524 /nfs/dbraw/zinc/71/55/24/1050715524.db2.gz GFAVJWWIXLENNE-NRFANRHFSA-N 1 1 333.479 4.009 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c(F)c1 ZINC000619465597 1050790135 /nfs/dbraw/zinc/79/01/35/1050790135.db2.gz LJHVLYHIWOQJCI-FQEVSTJZSA-N 1 1 346.409 4.050 20 30 EIEDMO Cc1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001179947539 1050828806 /nfs/dbraw/zinc/82/88/06/1050828806.db2.gz WDSGAVGXWOPHMB-UHFFFAOYSA-N 1 1 349.261 4.168 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@H](C)c2nccs2)c1O ZINC000182841167 1050846997 /nfs/dbraw/zinc/84/69/97/1050846997.db2.gz RRYUQILFEKXWNO-AWEZNQCLSA-N 1 1 346.496 4.211 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001179961656 1050847905 /nfs/dbraw/zinc/84/79/05/1050847905.db2.gz GWZYGLCAQUFQIT-QZTJIDSGSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001179961656 1050847912 /nfs/dbraw/zinc/84/79/12/1050847912.db2.gz GWZYGLCAQUFQIT-QZTJIDSGSA-N 1 1 326.827 4.317 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001179962944 1050848307 /nfs/dbraw/zinc/84/83/07/1050848307.db2.gz UVCUYGNPACZTKG-CTNGQTDRSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001179962944 1050848310 /nfs/dbraw/zinc/84/83/10/1050848310.db2.gz UVCUYGNPACZTKG-CTNGQTDRSA-N 1 1 337.442 4.163 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000152966235 1050912936 /nfs/dbraw/zinc/91/29/36/1050912936.db2.gz ZDGFNMNUKJCWPA-AWEZNQCLSA-N 1 1 337.305 4.140 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc2c(F)cccc2c1 ZINC001180280208 1050952769 /nfs/dbraw/zinc/95/27/69/1050952769.db2.gz GWASCYFTJQJCQO-UHFFFAOYSA-N 1 1 331.394 4.434 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2c(F)cccc2c1 ZINC001180280208 1050952782 /nfs/dbraw/zinc/95/27/82/1050952782.db2.gz GWASCYFTJQJCQO-UHFFFAOYSA-N 1 1 331.394 4.434 20 30 EIEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)c1 ZINC001189268035 1050954468 /nfs/dbraw/zinc/95/44/68/1050954468.db2.gz QKGPTVHAPDRUTC-LJQANCHMSA-N 1 1 343.515 4.079 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000620310209 1051098198 /nfs/dbraw/zinc/09/81/98/1051098198.db2.gz JEZXNCAGMBVOPM-BGYRXZFFSA-N 1 1 326.484 4.242 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC2C[C@@H](C)C[C@H](C)C2)c1 ZINC001190400325 1051168353 /nfs/dbraw/zinc/16/83/53/1051168353.db2.gz YBAWZDYNDDNACK-IRXDYDNUSA-N 1 1 326.484 4.001 20 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CCCCN(CC#N)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182241845 1051447675 /nfs/dbraw/zinc/44/76/75/1051447675.db2.gz SMWBITFZKRAOPA-OAQYLSRUSA-N 1 1 349.478 4.012 20 30 EIEDMO CCCCN(CC#N)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182241845 1051447680 /nfs/dbraw/zinc/44/76/80/1051447680.db2.gz SMWBITFZKRAOPA-OAQYLSRUSA-N 1 1 349.478 4.012 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001191416921 1051453243 /nfs/dbraw/zinc/45/32/43/1051453243.db2.gz LBDPROQPQLKBLR-OAQYLSRUSA-N 1 1 333.479 4.276 20 30 EIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC001191444509 1051459301 /nfs/dbraw/zinc/45/93/01/1051459301.db2.gz NDAGVSGNBIZMAT-QFIPXVFZSA-N 1 1 334.463 4.282 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001191508575 1051470032 /nfs/dbraw/zinc/47/00/32/1051470032.db2.gz DDRUONKMWGIHET-KRWDZBQOSA-N 1 1 342.483 4.119 20 30 EIEDMO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)c1 ZINC001175243103 1051470656 /nfs/dbraw/zinc/47/06/56/1051470656.db2.gz MUBJKUIXBTWHFH-UHFFFAOYSA-N 1 1 327.453 4.058 20 30 EIEDMO CC(C)[C@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001191634913 1051495824 /nfs/dbraw/zinc/49/58/24/1051495824.db2.gz CORZGLPPGKNWLW-OAQYLSRUSA-N 1 1 340.442 4.107 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646448 1051509149 /nfs/dbraw/zinc/50/91/49/1051509149.db2.gz NGMFEEYLUBEXKN-JOCHJYFZSA-N 1 1 344.458 4.148 20 30 EIEDMO OCC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC001192022390 1051614409 /nfs/dbraw/zinc/61/44/09/1051614409.db2.gz LCAWYZIPHVYULO-NRFANRHFSA-N 1 1 339.866 4.063 20 30 EIEDMO OCC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC001192022394 1051615325 /nfs/dbraw/zinc/61/53/25/1051615325.db2.gz LCAWYZIPHVYULO-OAQYLSRUSA-N 1 1 339.866 4.063 20 30 EIEDMO CC(C)(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC001192052917 1051626631 /nfs/dbraw/zinc/62/66/31/1051626631.db2.gz PSGJKCDQATUWPA-UHFFFAOYSA-N 1 1 326.415 4.377 20 30 EIEDMO N#Cc1nc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2s1 ZINC001175506330 1051640932 /nfs/dbraw/zinc/64/09/32/1051640932.db2.gz VFPMOEQSUPMKTQ-UHFFFAOYSA-N 1 1 346.459 4.370 20 30 EIEDMO C#CC[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523525 1051700818 /nfs/dbraw/zinc/70/08/18/1051700818.db2.gz JQOAHLDIQRPWRA-PMOQBDJRSA-N 1 1 332.491 4.251 20 30 EIEDMO C#CC[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523525 1051700831 /nfs/dbraw/zinc/70/08/31/1051700831.db2.gz JQOAHLDIQRPWRA-PMOQBDJRSA-N 1 1 332.491 4.251 20 30 EIEDMO C#CC[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523527 1051702073 /nfs/dbraw/zinc/70/20/73/1051702073.db2.gz JQOAHLDIQRPWRA-VJBMBRPKSA-N 1 1 332.491 4.251 20 30 EIEDMO C#CC[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523527 1051702091 /nfs/dbraw/zinc/70/20/91/1051702091.db2.gz JQOAHLDIQRPWRA-VJBMBRPKSA-N 1 1 332.491 4.251 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444582 1051734878 /nfs/dbraw/zinc/73/48/78/1051734878.db2.gz XKKXIQICXGWFCC-KRWDZBQOSA-N 1 1 340.854 4.482 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccccc4)nc3)sc2C1 ZINC001175832213 1051795208 /nfs/dbraw/zinc/79/52/08/1051795208.db2.gz AXYFLIUEWSMIDK-UHFFFAOYSA-N 1 1 346.459 4.413 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774593041 1051796257 /nfs/dbraw/zinc/79/62/57/1051796257.db2.gz WQJJKUZDSWTMMR-MRXNPFEDSA-N 1 1 325.836 4.262 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC001192707748 1051802661 /nfs/dbraw/zinc/80/26/61/1051802661.db2.gz ABWKRHIYSCUYDB-LLVKDONJSA-N 1 1 349.312 4.336 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cnn(C4CCCCC4)c3)sc2C1 ZINC001175878462 1051811544 /nfs/dbraw/zinc/81/15/44/1051811544.db2.gz HMPYYOYGQRQIOU-UHFFFAOYSA-N 1 1 341.484 4.053 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1Cl ZINC000774613012 1051825297 /nfs/dbraw/zinc/82/52/97/1051825297.db2.gz GQOPMSGPRDKKPQ-IBGZPJMESA-N 1 1 346.833 4.296 20 30 EIEDMO O=[N+]([O-])c1ccc(C[N@H+](CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192930770 1051838888 /nfs/dbraw/zinc/83/88/88/1051838888.db2.gz YPQPRWQSTSJRFR-UHFFFAOYSA-N 1 1 340.810 4.264 20 30 EIEDMO O=[N+]([O-])c1ccc(C[N@@H+](CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192930770 1051838895 /nfs/dbraw/zinc/83/88/95/1051838895.db2.gz YPQPRWQSTSJRFR-UHFFFAOYSA-N 1 1 340.810 4.264 20 30 EIEDMO C=CCC1(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CCCC1 ZINC001183460076 1051846624 /nfs/dbraw/zinc/84/66/24/1051846624.db2.gz JRVSSAMWXZLXKJ-FQEVSTJZSA-N 1 1 340.511 4.362 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC001193012306 1051853234 /nfs/dbraw/zinc/85/32/34/1051853234.db2.gz PKGDIDYKAVPLNB-LJQANCHMSA-N 1 1 349.865 4.206 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000775578356 1051871965 /nfs/dbraw/zinc/87/19/65/1051871965.db2.gz VYTIWHNDGQWEDZ-YJYMSZOUSA-N 1 1 346.833 4.467 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC001176070803 1051886662 /nfs/dbraw/zinc/88/66/62/1051886662.db2.gz QEFGHVPBRXCNJN-GFCCVEGCSA-N 1 1 326.665 4.256 20 30 EIEDMO N#CCC1(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC001193188478 1051888794 /nfs/dbraw/zinc/88/87/94/1051888794.db2.gz LWFNZWQCBLHSHU-HNNXBMFYSA-N 1 1 337.236 4.419 20 30 EIEDMO N#CCC1(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC001193188478 1051888798 /nfs/dbraw/zinc/88/87/98/1051888798.db2.gz LWFNZWQCBLHSHU-HNNXBMFYSA-N 1 1 337.236 4.419 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1C#N ZINC001193517139 1051942581 /nfs/dbraw/zinc/94/25/81/1051942581.db2.gz NVNGVTYHBNDGIV-LJQANCHMSA-N 1 1 344.462 4.129 20 30 EIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001193517534 1051942994 /nfs/dbraw/zinc/94/29/94/1051942994.db2.gz VYYHFFXQMGFPKF-UHFFFAOYSA-N 1 1 333.273 4.477 20 30 EIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001193517534 1051943002 /nfs/dbraw/zinc/94/30/02/1051943002.db2.gz VYYHFFXQMGFPKF-UHFFFAOYSA-N 1 1 333.273 4.477 20 30 EIEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc(F)cc2F)C1 ZINC001184217245 1051969656 /nfs/dbraw/zinc/96/96/56/1051969656.db2.gz CYFAKLUKRIEEOV-QIIPPGSGSA-N 1 1 331.410 4.122 20 30 EIEDMO Cc1cc(C)[nH+]c(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c1 ZINC001176260547 1051988302 /nfs/dbraw/zinc/98/83/02/1051988302.db2.gz KIPDOYIAGUVIKW-UHFFFAOYSA-N 1 1 348.468 4.193 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC001176344820 1051999236 /nfs/dbraw/zinc/99/92/36/1051999236.db2.gz IWPWUDXTXYIFKD-UHFFFAOYSA-N 1 1 345.393 4.213 20 30 EIEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001194152541 1052088654 /nfs/dbraw/zinc/08/86/54/1052088654.db2.gz COYLWMWVHJCPBS-LJQANCHMSA-N 1 1 336.520 4.456 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262522 1052119573 /nfs/dbraw/zinc/11/95/73/1052119573.db2.gz OPYHEJCCYMAVFE-QGZVFWFLSA-N 1 1 345.368 4.352 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC001194291395 1052129456 /nfs/dbraw/zinc/12/94/56/1052129456.db2.gz NLWIAMDGXPXEDL-KSZLIROESA-N 1 1 335.875 4.464 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC001194533507 1052163925 /nfs/dbraw/zinc/16/39/25/1052163925.db2.gz CAQAMDZLSBHDOT-FQEVSTJZSA-N 1 1 334.463 4.330 20 30 EIEDMO C=C(C)COc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000622266600 1052169444 /nfs/dbraw/zinc/16/94/44/1052169444.db2.gz MPFJIAKBJCZLSU-ZWKOTPCHSA-N 1 1 346.515 4.003 20 30 EIEDMO C=C(C)COc1cc(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000622266600 1052169446 /nfs/dbraw/zinc/16/94/46/1052169446.db2.gz MPFJIAKBJCZLSU-ZWKOTPCHSA-N 1 1 346.515 4.003 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001176767311 1052192515 /nfs/dbraw/zinc/19/25/15/1052192515.db2.gz FIOYKQQOLQFOFR-ROUUACIJSA-N 1 1 334.891 4.338 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001176767312 1052192877 /nfs/dbraw/zinc/19/28/77/1052192877.db2.gz FIOYKQQOLQFOFR-ZWKOTPCHSA-N 1 1 334.891 4.338 20 30 EIEDMO C#C[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176832767 1052195893 /nfs/dbraw/zinc/19/58/93/1052195893.db2.gz HYSKBGNRJLEAGM-MSRNWOCLSA-N 1 1 346.515 4.042 20 30 EIEDMO C=CC1CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC001204180261 1052203069 /nfs/dbraw/zinc/20/30/69/1052203069.db2.gz JHQIKUSJWBAXIO-UHFFFAOYSA-N 1 1 337.236 4.468 20 30 EIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000185587086 1052651100 /nfs/dbraw/zinc/65/11/00/1052651100.db2.gz MORBYIQDWAPLLV-INIZCTEOSA-N 1 1 328.481 4.494 20 30 EIEDMO N#Cc1cccc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000272913987 1052786066 /nfs/dbraw/zinc/78/60/66/1052786066.db2.gz RXZNMFAWDNMTRH-SFTDATJTSA-N 1 1 347.462 4.176 20 30 EIEDMO CC(=[NH+]NCCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000794548633 1053071248 /nfs/dbraw/zinc/07/12/48/1053071248.db2.gz XEYGOTKAFHOWMO-UHFFFAOYSA-N 1 1 331.357 4.082 20 30 EIEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000775610026 1053090112 /nfs/dbraw/zinc/09/01/12/1053090112.db2.gz JPSFBQKRXQZAES-OAQYLSRUSA-N 1 1 336.479 4.352 20 30 EIEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001194754628 1053094510 /nfs/dbraw/zinc/09/45/10/1053094510.db2.gz HKQMZKKGOMIINB-QGZVFWFLSA-N 1 1 329.463 4.200 20 30 EIEDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000850391620 1053164632 /nfs/dbraw/zinc/16/46/32/1053164632.db2.gz VVKGQWVFWQINED-UHFFFAOYSA-N 1 1 337.261 4.027 20 30 EIEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001195376477 1053392805 /nfs/dbraw/zinc/39/28/05/1053392805.db2.gz LGDVNHTWRBLYGL-HXUWFJFHSA-N 1 1 347.462 4.360 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000765353110 1053520741 /nfs/dbraw/zinc/52/07/41/1053520741.db2.gz ZUVSLKZDMAEWOK-CYBMUJFWSA-N 1 1 347.871 4.378 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000852319756 1053567218 /nfs/dbraw/zinc/56/72/18/1053567218.db2.gz CBSBLIDNHAJYIB-GOSISDBHSA-N 1 1 349.519 4.039 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331539 1053570378 /nfs/dbraw/zinc/57/03/78/1053570378.db2.gz APUJROCFDYZNCW-HTAPYJJXSA-N 1 1 331.463 4.189 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331539 1053570393 /nfs/dbraw/zinc/57/03/93/1053570393.db2.gz APUJROCFDYZNCW-HTAPYJJXSA-N 1 1 331.463 4.189 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852687635 1053601677 /nfs/dbraw/zinc/60/16/77/1053601677.db2.gz LYQUGEGDLDOOJF-BETUJISGSA-N 1 1 337.217 4.040 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852687635 1053601688 /nfs/dbraw/zinc/60/16/88/1053601688.db2.gz LYQUGEGDLDOOJF-BETUJISGSA-N 1 1 337.217 4.040 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000110966054 1053620627 /nfs/dbraw/zinc/62/06/27/1053620627.db2.gz OZBLBZDULVGAGE-UHFFFAOYSA-N 1 1 348.425 4.429 20 30 EIEDMO CCCCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001196328594 1053640960 /nfs/dbraw/zinc/64/09/60/1053640960.db2.gz CTWHZCBRLJWAOG-IBGZPJMESA-N 1 1 327.472 4.322 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1O ZINC000866247413 1053663349 /nfs/dbraw/zinc/66/33/49/1053663349.db2.gz VCQMARZQXDJCIS-MEDUHNTESA-N 1 1 328.799 4.092 20 30 EIEDMO Cc1cc(C)c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000853312385 1053667108 /nfs/dbraw/zinc/66/71/08/1053667108.db2.gz SNOCNNWWZZTCKD-UHFFFAOYSA-N 1 1 337.467 4.019 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866301173 1053683069 /nfs/dbraw/zinc/68/30/69/1053683069.db2.gz ZLQLLQHOHOPOIX-UONOGXRCSA-N 1 1 334.423 4.045 20 30 EIEDMO C=C(Cl)C[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000776721635 1053785528 /nfs/dbraw/zinc/78/55/28/1053785528.db2.gz CNACXIMXWIFJSA-KRWDZBQOSA-N 1 1 333.859 4.042 20 30 EIEDMO CCCC[NH+](CCCC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000867631012 1053841743 /nfs/dbraw/zinc/84/17/43/1053841743.db2.gz MYEXAHUYGHPJIJ-HNNXBMFYSA-N 1 1 343.496 4.375 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001197272452 1053866031 /nfs/dbraw/zinc/86/60/31/1053866031.db2.gz AGWFUIARNQUXLX-IFMALSPDSA-N 1 1 344.543 4.322 20 30 EIEDMO N#CCCOCC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000339080226 1053893790 /nfs/dbraw/zinc/89/37/90/1053893790.db2.gz FWGZWTVREBWNPH-UHFFFAOYSA-N 1 1 325.239 4.013 20 30 EIEDMO COCC1([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CCC1 ZINC001197582599 1053947797 /nfs/dbraw/zinc/94/77/97/1053947797.db2.gz UXSVSNGBWJWLMH-UHFFFAOYSA-N 1 1 348.490 4.387 20 30 EIEDMO Fc1cccc(F)c1[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197639150 1053969954 /nfs/dbraw/zinc/96/99/54/1053969954.db2.gz MCAHPXVOWRZOCJ-OAHLLOKOSA-N 1 1 331.793 4.459 20 30 EIEDMO Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197639150 1053969959 /nfs/dbraw/zinc/96/99/59/1053969959.db2.gz MCAHPXVOWRZOCJ-OAHLLOKOSA-N 1 1 331.793 4.459 20 30 EIEDMO C#CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCCc2ccccc21 ZINC001198103613 1054078101 /nfs/dbraw/zinc/07/81/01/1054078101.db2.gz IXEUEBHYVIAIRX-JOCHJYFZSA-N 1 1 342.442 4.453 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCCc2ccccc21 ZINC001198104922 1054079733 /nfs/dbraw/zinc/07/97/33/1054079733.db2.gz VPYZTPXCZWAHID-JOCHJYFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCCc2ccccc21 ZINC001198104922 1054079745 /nfs/dbraw/zinc/07/97/45/1054079745.db2.gz VPYZTPXCZWAHID-JOCHJYFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C=CCCC[N@H+](CC)C[C@](C)(O)c1ccc(Br)cc1F ZINC001198457593 1054149817 /nfs/dbraw/zinc/14/98/17/1054149817.db2.gz DBWDONLPHFMWBJ-INIZCTEOSA-N 1 1 344.268 4.084 20 30 EIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C)cc1 ZINC000857049519 1054162770 /nfs/dbraw/zinc/16/27/70/1054162770.db2.gz MYNQJLYJFVRFFB-IBGZPJMESA-N 1 1 349.478 4.071 20 30 EIEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001198524508 1054174597 /nfs/dbraw/zinc/17/45/97/1054174597.db2.gz FRGCQGMGULPYGK-OAHLLOKOSA-N 1 1 325.374 4.352 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001198772050 1054261281 /nfs/dbraw/zinc/26/12/81/1054261281.db2.gz XXMFFDVQJNGXSH-QFIPXVFZSA-N 1 1 332.447 4.370 20 30 EIEDMO CCOc1cccc(F)c1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000873049396 1054478636 /nfs/dbraw/zinc/47/86/36/1054478636.db2.gz BBPOBBOCVOHDGS-INIZCTEOSA-N 1 1 342.414 4.195 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000859162277 1054634149 /nfs/dbraw/zinc/63/41/49/1054634149.db2.gz XRKABBMBGYMLEX-ROUUACIJSA-N 1 1 326.465 4.016 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000859162276 1054635116 /nfs/dbraw/zinc/63/51/16/1054635116.db2.gz XRKABBMBGYMLEX-QZTJIDSGSA-N 1 1 326.465 4.016 20 30 EIEDMO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000776153943 1054748047 /nfs/dbraw/zinc/74/80/47/1054748047.db2.gz KZEQQKJCPLFHPM-LAUBAEHRSA-N 1 1 343.515 4.140 20 30 EIEDMO COc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC001201477883 1054830580 /nfs/dbraw/zinc/83/05/80/1054830580.db2.gz OMULQACTHZUHNR-MOPGFXCFSA-N 1 1 345.446 4.300 20 30 EIEDMO CNc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201478168 1054830776 /nfs/dbraw/zinc/83/07/76/1054830776.db2.gz ZDPQDCKLAYXKSK-UXHICEINSA-N 1 1 344.462 4.333 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001201762805 1054899891 /nfs/dbraw/zinc/89/98/91/1054899891.db2.gz WBRYBHUOJYDYEF-OAQYLSRUSA-N 1 1 346.490 4.221 20 30 EIEDMO CCCCCCC[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001201776303 1054914427 /nfs/dbraw/zinc/91/44/27/1054914427.db2.gz ATEPSSCIAJSGEG-UHFFFAOYSA-N 1 1 338.499 4.269 20 30 EIEDMO CCCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915571 /nfs/dbraw/zinc/91/55/71/1054915571.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 1 1 334.552 4.460 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201852870 1054923929 /nfs/dbraw/zinc/92/39/29/1054923929.db2.gz PNRASTFPMMCHRZ-UHFFFAOYSA-N 1 1 344.503 4.418 20 30 EIEDMO CCCCCCCC[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001201826294 1054924831 /nfs/dbraw/zinc/92/48/31/1054924831.db2.gz QZERQJHMTFLZIP-UHFFFAOYSA-N 1 1 328.504 4.299 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001201838679 1054931252 /nfs/dbraw/zinc/93/12/52/1054931252.db2.gz CFDOYSGWPGZVJK-RTWAWAEBSA-N 1 1 329.532 4.481 20 30 EIEDMO CCCCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001201847060 1054934025 /nfs/dbraw/zinc/93/40/25/1054934025.db2.gz RDEVBAMJFJFLIK-RBBKRZOGSA-N 1 1 342.527 4.343 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001201845937 1054934610 /nfs/dbraw/zinc/93/46/10/1054934610.db2.gz AJCGBZJYXOEVPD-UHFFFAOYSA-N 1 1 330.476 4.028 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001201846859 1054934675 /nfs/dbraw/zinc/93/46/75/1054934675.db2.gz OATWDRXHLZXRHH-MSOLQXFVSA-N 1 1 349.544 4.183 20 30 EIEDMO C#CCCCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000876591795 1054936111 /nfs/dbraw/zinc/93/61/11/1054936111.db2.gz PJQHOBHOXCPGKI-UHFFFAOYSA-N 1 1 325.456 4.130 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(OCC)c2OCCC)CC1 ZINC000106246233 1054939355 /nfs/dbraw/zinc/93/93/55/1054939355.db2.gz KEBBGRSSSKMCCU-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001201875146 1054940823 /nfs/dbraw/zinc/94/08/23/1054940823.db2.gz QXOCIAQVLAAXKK-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001201875146 1054940831 /nfs/dbraw/zinc/94/08/31/1054940831.db2.gz QXOCIAQVLAAXKK-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CC[N@H+](c1ccc(NCc2cc(C#N)cnc2Cl)cc1)C(C)C ZINC000876820559 1054964703 /nfs/dbraw/zinc/96/47/03/1054964703.db2.gz PFLXJEWBHHQADD-UHFFFAOYSA-N 1 1 328.847 4.453 20 30 EIEDMO CC1CC[NH+](c2ccc(NCc3cc(C#N)cnc3Cl)cc2)CC1 ZINC000876838802 1054969403 /nfs/dbraw/zinc/96/94/03/1054969403.db2.gz NFEMJPWBCQGJMW-UHFFFAOYSA-N 1 1 340.858 4.455 20 30 EIEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000876837400 1054970956 /nfs/dbraw/zinc/97/09/56/1054970956.db2.gz BNQJWHNDAIVIEJ-GOSISDBHSA-N 1 1 341.499 4.434 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000876905349 1054981029 /nfs/dbraw/zinc/98/10/29/1054981029.db2.gz GJBUKRUJZFKZBX-JTQLQIEISA-N 1 1 339.748 4.476 20 30 EIEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000339032175 1055005053 /nfs/dbraw/zinc/00/50/53/1055005053.db2.gz CSBWOWGAWMWDMB-MRXNPFEDSA-N 1 1 326.362 4.163 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(F)c(F)c1 ZINC001202066429 1055005782 /nfs/dbraw/zinc/00/57/82/1055005782.db2.gz YGUQYNBWRQIYOF-QGZVFWFLSA-N 1 1 331.318 4.071 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(F)c(F)c1 ZINC001202066428 1055007563 /nfs/dbraw/zinc/00/75/63/1055007563.db2.gz YGUQYNBWRQIYOF-KRWDZBQOSA-N 1 1 331.318 4.071 20 30 EIEDMO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C[C@@H](C)CCC#N ZINC000877461114 1055055175 /nfs/dbraw/zinc/05/51/75/1055055175.db2.gz ZLHSYYMMZXFERS-INIZCTEOSA-N 1 1 345.487 4.052 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)cc1 ZINC001137120547 1055060641 /nfs/dbraw/zinc/06/06/41/1055060641.db2.gz SRLWPZYWWVDSON-IBGZPJMESA-N 1 1 342.439 4.018 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)cc1 ZINC001137120547 1055060649 /nfs/dbraw/zinc/06/06/49/1055060649.db2.gz SRLWPZYWWVDSON-IBGZPJMESA-N 1 1 342.439 4.018 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc1 ZINC001137120548 1055062103 /nfs/dbraw/zinc/06/21/03/1055062103.db2.gz SRLWPZYWWVDSON-LJQANCHMSA-N 1 1 342.439 4.018 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc1 ZINC001137120548 1055062114 /nfs/dbraw/zinc/06/21/14/1055062114.db2.gz SRLWPZYWWVDSON-LJQANCHMSA-N 1 1 342.439 4.018 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2c(F)cccc2c1 ZINC000877519834 1055069946 /nfs/dbraw/zinc/06/99/46/1055069946.db2.gz ZRZDFUHUUSCXBG-UHFFFAOYSA-N 1 1 340.398 4.038 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2c(F)cccc2c1 ZINC000877519834 1055069965 /nfs/dbraw/zinc/06/99/65/1055069965.db2.gz ZRZDFUHUUSCXBG-UHFFFAOYSA-N 1 1 340.398 4.038 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000877522690 1055070015 /nfs/dbraw/zinc/07/00/15/1055070015.db2.gz SGYCJZYVOKWQJV-KRWDZBQOSA-N 1 1 325.456 4.288 20 30 EIEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000877813905 1055125269 /nfs/dbraw/zinc/12/52/69/1055125269.db2.gz LRGPHPNPWOXHKE-INIZCTEOSA-N 1 1 325.481 4.242 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892784 1055146529 /nfs/dbraw/zinc/14/65/29/1055146529.db2.gz DUVQHMBRZRWGGZ-HRAATJIYSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)c1cccs1)c1ccccc1 ZINC000877970596 1055165392 /nfs/dbraw/zinc/16/53/92/1055165392.db2.gz PAVUSDYOTKTGCF-DNVCBOLYSA-N 1 1 326.465 4.182 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106009 1055189675 /nfs/dbraw/zinc/18/96/75/1055189675.db2.gz JUCPCFWDSAOUFF-FGZHOGPDSA-N 1 1 336.479 4.249 20 30 EIEDMO 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C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000450671522 1032645480 /nfs/dbraw/zinc/64/54/80/1032645480.db2.gz VVVZRDZYUMMGCA-MRXNPFEDSA-N 1 1 333.435 4.283 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000557626220 1018833553 /nfs/dbraw/zinc/83/35/53/1018833553.db2.gz SARDDIOAPRQHCW-OAHLLOKOSA-N 1 1 346.906 4.088 20 30 EIEDMO C=CCC(CC=C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510074326 1019071283 /nfs/dbraw/zinc/07/12/83/1019071283.db2.gz UWWQJXVIGUSOER-QUCCMNQESA-N 1 1 340.511 4.172 20 30 EIEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(C#N)c1F ZINC000512457284 1032819021 /nfs/dbraw/zinc/81/90/21/1032819021.db2.gz RRPZFSLXDFIGMM-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(C#N)c1F ZINC000512457284 1032819022 /nfs/dbraw/zinc/81/90/22/1032819022.db2.gz RRPZFSLXDFIGMM-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1C ZINC000610216555 1019414988 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C#CC[N@H+](CCSc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001167178530 1020485434 /nfs/dbraw/zinc/48/54/34/1020485434.db2.gz CUXWHCOQEWSBAA-OAQYLSRUSA-N 1 1 337.488 4.410 20 30 EIEDMO C#CC[N@H+](CCSc1cccc(OC)c1)[C@H]1CCc2ccccc21 ZINC001167178529 1020485579 /nfs/dbraw/zinc/48/55/79/1020485579.db2.gz CUXWHCOQEWSBAA-NRFANRHFSA-N 1 1 337.488 4.410 20 30 EIEDMO C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)[C@@H]1CCc2ccccc21 ZINC001167179332 1020489228 /nfs/dbraw/zinc/48/92/28/1020489228.db2.gz ZRPTTYGBJXSETK-HSZRJFAPSA-N 1 1 341.458 4.303 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000261452000 1020566205 /nfs/dbraw/zinc/56/62/05/1020566205.db2.gz DWLHQGQLBKTSAG-QGZVFWFLSA-N 1 1 339.464 4.094 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)n1 ZINC001204471103 1020618219 /nfs/dbraw/zinc/61/82/19/1020618219.db2.gz CYBBTUDTZUAXCU-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO COCC[N@H+](CC#Cc1ccc(Cl)cc1)CCCc1ccccc1 ZINC001167270328 1020743919 /nfs/dbraw/zinc/74/39/19/1020743919.db2.gz GXEDXYDRJPFIIW-UHFFFAOYSA-N 1 1 341.882 4.273 20 30 EIEDMO C#CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CCCCC1 ZINC001167273912 1020749296 /nfs/dbraw/zinc/74/92/96/1020749296.db2.gz UMXYSFNPPVKCKS-UHFFFAOYSA-N 1 1 333.479 4.129 20 30 EIEDMO C#CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CCCCC1 ZINC001167273912 1020749306 /nfs/dbraw/zinc/74/93/06/1020749306.db2.gz UMXYSFNPPVKCKS-UHFFFAOYSA-N 1 1 333.479 4.129 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167273618 1020751132 /nfs/dbraw/zinc/75/11/32/1020751132.db2.gz NBWQPYWAEJJEAI-UHFFFAOYSA-N 1 1 330.815 4.479 20 30 EIEDMO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(C#N)s3)cc2)C1 ZINC000176947707 1020938891 /nfs/dbraw/zinc/93/88/91/1020938891.db2.gz HGJNZBXPGDLDMO-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(C#N)s3)cc2)C1 ZINC000176947707 1020938898 /nfs/dbraw/zinc/93/88/98/1020938898.db2.gz HGJNZBXPGDLDMO-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964326 1021048939 /nfs/dbraw/zinc/04/89/39/1021048939.db2.gz POBZZPASVJMKCV-HOTGVXAUSA-N 1 1 339.508 4.496 20 30 EIEDMO CC1(C)CCCC[C@@H]1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167317968 1021070289 /nfs/dbraw/zinc/07/02/89/1021070289.db2.gz AIPPKTXRWZMOCC-LJQANCHMSA-N 1 1 325.500 4.287 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000165449950 1021079759 /nfs/dbraw/zinc/07/97/59/1021079759.db2.gz FTUKLRRZKMHTQW-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000165449787 1021080148 /nfs/dbraw/zinc/08/01/48/1021080148.db2.gz MILOEASKPFHURC-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)cccc2SC)cc1OC ZINC000512517394 1032970312 /nfs/dbraw/zinc/97/03/12/1032970312.db2.gz VUHNOUMNGQEUHM-UHFFFAOYSA-N 1 1 347.455 4.411 20 30 EIEDMO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177685654 1021440384 /nfs/dbraw/zinc/44/03/84/1021440384.db2.gz NQPRWMMIBSUJFS-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177685654 1021440401 /nfs/dbraw/zinc/44/04/01/1021440401.db2.gz NQPRWMMIBSUJFS-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355937 1021671399 /nfs/dbraw/zinc/67/13/99/1021671399.db2.gz FHFDBTCOBSLRMC-KBPBESRZSA-N 1 1 347.890 4.439 20 30 EIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380006 1021898017 /nfs/dbraw/zinc/89/80/17/1021898017.db2.gz HNZQKCGBANLOBU-PZJWPPBQSA-N 1 1 347.474 4.016 20 30 EIEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380012 1021908485 /nfs/dbraw/zinc/90/84/85/1021908485.db2.gz HNZQKCGBANLOBU-TZIWHRDSSA-N 1 1 347.474 4.016 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ncc(C)cn2)C(C)(C)C)cc1 ZINC000340698210 1022068750 /nfs/dbraw/zinc/06/87/50/1022068750.db2.gz UTAODPSGLMUWNL-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ncc(C)cn2)C(C)(C)C)cc1 ZINC000340698210 1022068767 /nfs/dbraw/zinc/06/87/67/1022068767.db2.gz UTAODPSGLMUWNL-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000471582669 1022078422 /nfs/dbraw/zinc/07/84/22/1022078422.db2.gz PTESRMPDFHPDRM-MDOVXXIYSA-N 1 1 325.431 4.039 20 30 EIEDMO C=C1CC[NH2+]C[C@@H]1Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl ZINC001218204959 1022312281 /nfs/dbraw/zinc/31/22/81/1022312281.db2.gz CDFOWXMWOHDGQB-LURJTMIESA-N 1 1 343.037 4.303 20 30 EIEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000580648411 1022343018 /nfs/dbraw/zinc/34/30/18/1022343018.db2.gz HVDSZNLJGNBVFM-GOSISDBHSA-N 1 1 345.349 4.232 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(F)c(F)c1 ZINC000187795228 1022391303 /nfs/dbraw/zinc/39/13/03/1022391303.db2.gz BFGDCSIGFLKZOY-IBGZPJMESA-N 1 1 328.362 4.252 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000472939228 1022471167 /nfs/dbraw/zinc/47/11/67/1022471167.db2.gz MLKKBRFJBMTMQK-IFMALSPDSA-N 1 1 337.463 4.122 20 30 EIEDMO C=CCC[C@@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000186427704 1022597422 /nfs/dbraw/zinc/59/74/22/1022597422.db2.gz SAZGGCPEHRUBIJ-QGZVFWFLSA-N 1 1 329.488 4.186 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC001167438525 1022682935 /nfs/dbraw/zinc/68/29/35/1022682935.db2.gz OHDSBGQRXRUMFI-OAQYLSRUSA-N 1 1 340.442 4.197 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c(Br)c1 ZINC000481141328 1022709841 /nfs/dbraw/zinc/70/98/41/1022709841.db2.gz MBBKXQYUTSXZNS-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO C[N@@H+](CCCC#N)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007797017 1022805527 /nfs/dbraw/zinc/80/55/27/1022805527.db2.gz HLKBOYDRYKQILX-UHFFFAOYSA-N 1 1 330.435 4.275 20 30 EIEDMO Cc1[nH+]c(CNc2cc(C#N)ccc2C(F)(F)F)c2n1CCCC2 ZINC000376505324 1022861248 /nfs/dbraw/zinc/86/12/48/1022861248.db2.gz KNYLUYSKTUYEDX-UHFFFAOYSA-N 1 1 334.345 4.030 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145480 1022889602 /nfs/dbraw/zinc/88/96/02/1022889602.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145480 1022889604 /nfs/dbraw/zinc/88/96/04/1022889604.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145480 1022889607 /nfs/dbraw/zinc/88/96/07/1022889607.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OCC ZINC000181393543 1023033249 /nfs/dbraw/zinc/03/32/49/1023033249.db2.gz IUYBDRDYSAWYAE-AWEZNQCLSA-N 1 1 342.414 4.346 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276144486 1023042166 /nfs/dbraw/zinc/04/21/66/1023042166.db2.gz ZEENVZRWXPFWLK-FQEVSTJZSA-N 1 1 348.494 4.427 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276144486 1023042172 /nfs/dbraw/zinc/04/21/72/1023042172.db2.gz ZEENVZRWXPFWLK-FQEVSTJZSA-N 1 1 348.494 4.427 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1cccc(C#N)c1 ZINC000189767739 1023144833 /nfs/dbraw/zinc/14/48/33/1023144833.db2.gz UFKFTQPWYUOBJM-QGZVFWFLSA-N 1 1 335.451 4.278 20 30 EIEDMO C[C@H](Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 ZINC001167710862 1023148335 /nfs/dbraw/zinc/14/83/35/1023148335.db2.gz XSRMLDRJBMAZAJ-ZDUSSCGKSA-N 1 1 338.411 4.473 20 30 EIEDMO CCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000341024374 1023185644 /nfs/dbraw/zinc/18/56/44/1023185644.db2.gz ZMDJQSCVOPZCTI-SFHVURJKSA-N 1 1 332.407 4.239 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000549167865 1023412216 /nfs/dbraw/zinc/41/22/16/1023412216.db2.gz IGRJPJJDIOBYOA-OAHLLOKOSA-N 1 1 326.337 4.252 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000549167865 1023412221 /nfs/dbraw/zinc/41/22/21/1023412221.db2.gz IGRJPJJDIOBYOA-OAHLLOKOSA-N 1 1 326.337 4.252 20 30 EIEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)CC2CCC2)c(OC)c1 ZINC000549167409 1023412311 /nfs/dbraw/zinc/41/23/11/1023412311.db2.gz VBFVWLHDLKTIJU-UHFFFAOYSA-N 1 1 330.472 4.246 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(-n2cccn2)c1 ZINC000187428464 1023557256 /nfs/dbraw/zinc/55/72/56/1023557256.db2.gz IUIWHHIYIITSEE-AWEZNQCLSA-N 1 1 336.826 4.248 20 30 EIEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OCc1ccccc1 ZINC000418141927 1023562668 /nfs/dbraw/zinc/56/26/68/1023562668.db2.gz MFOQDQSREJLBFQ-UHFFFAOYSA-N 1 1 336.435 4.058 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1 ZINC000377551024 1023600229 /nfs/dbraw/zinc/60/02/29/1023600229.db2.gz UHDBTTPSOXUUOZ-OAQYLSRUSA-N 1 1 334.369 4.220 20 30 EIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499601368 1023611165 /nfs/dbraw/zinc/61/11/65/1023611165.db2.gz XAMJZRZDHASHLN-HZPDHXFCSA-N 1 1 330.447 4.234 20 30 EIEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3nccn3C3CC3)c2)s1 ZINC000892988313 1023635298 /nfs/dbraw/zinc/63/52/98/1023635298.db2.gz FDLUJBDMAOGXSO-UHFFFAOYSA-N 1 1 334.448 4.108 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000581808968 1023723162 /nfs/dbraw/zinc/72/31/62/1023723162.db2.gz CVEAQABHVJIFBM-OXJNMPFZSA-N 1 1 339.389 4.282 20 30 EIEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1[N+](=O)[O-] ZINC000187443526 1023789448 /nfs/dbraw/zinc/78/94/48/1023789448.db2.gz OXMDCEPJGFOZRE-LBPRGKRZSA-N 1 1 329.787 4.279 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC000566789459 1023813884 /nfs/dbraw/zinc/81/38/84/1023813884.db2.gz BTWVQBQTEGUJIT-SFHVURJKSA-N 1 1 338.426 4.161 20 30 EIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492418 1023956081 /nfs/dbraw/zinc/95/60/81/1023956081.db2.gz SCPPITOWLHDZOG-NHCUHLMSSA-N 1 1 347.462 4.073 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000510516939 1023975276 /nfs/dbraw/zinc/97/52/76/1023975276.db2.gz FMRFPVRIDKDSRB-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO N#CCC1(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000430751033 1024007248 /nfs/dbraw/zinc/00/72/48/1024007248.db2.gz RQKPVBQYKKOELQ-INIZCTEOSA-N 1 1 345.240 4.415 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913783 1024219926 /nfs/dbraw/zinc/21/99/26/1024219926.db2.gz YDAYJYLCWIPMEG-AVRDEDQJSA-N 1 1 334.463 4.343 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C[C@H](C)C#N ZINC000091982205 1024509801 /nfs/dbraw/zinc/50/98/01/1024509801.db2.gz LYSOYRRNMWQMGZ-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO CC[N@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C[C@H](C)C#N ZINC000091982205 1024509817 /nfs/dbraw/zinc/50/98/17/1024509817.db2.gz LYSOYRRNMWQMGZ-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C[C@@H](C)C#N ZINC000091982204 1024510688 /nfs/dbraw/zinc/51/06/88/1024510688.db2.gz LYSOYRRNMWQMGZ-KRWDZBQOSA-N 1 1 338.451 4.256 20 30 EIEDMO CC[N@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C[C@@H](C)C#N ZINC000091982204 1024510709 /nfs/dbraw/zinc/51/07/09/1024510709.db2.gz LYSOYRRNMWQMGZ-KRWDZBQOSA-N 1 1 338.451 4.256 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000549576760 1024652053 /nfs/dbraw/zinc/65/20/53/1024652053.db2.gz YDUZKZNAKARGSO-QFIPXVFZSA-N 1 1 348.494 4.152 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432241022 1024719797 /nfs/dbraw/zinc/71/97/97/1024719797.db2.gz NJFHQTXXMMYSOW-UHFFFAOYSA-N 1 1 331.262 4.263 20 30 EIEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001167496170 1024834313 /nfs/dbraw/zinc/83/43/13/1024834313.db2.gz KLHUOWPRDZUAPF-MRXNPFEDSA-N 1 1 343.414 4.010 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662086859 1024853136 /nfs/dbraw/zinc/85/31/36/1024853136.db2.gz ZJZOHIJZWIEYIB-FPMFFAJLSA-N 1 1 329.469 4.258 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662086859 1024853139 /nfs/dbraw/zinc/85/31/39/1024853139.db2.gz ZJZOHIJZWIEYIB-FPMFFAJLSA-N 1 1 329.469 4.258 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C(F)(F)F ZINC000662088055 1024854085 /nfs/dbraw/zinc/85/40/85/1024854085.db2.gz UPLOGRBFVFRYGP-OKILXGFUSA-N 1 1 338.373 4.217 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872138 1024896399 /nfs/dbraw/zinc/89/63/99/1024896399.db2.gz HKPMGFFTYMDGQT-VXKWHMMOSA-N 1 1 342.446 4.144 20 30 EIEDMO Cc1ccccc1[C@@H](C)[N@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000567899539 1024896606 /nfs/dbraw/zinc/89/66/06/1024896606.db2.gz CGSDGRXNWZKKNI-QGZVFWFLSA-N 1 1 347.466 4.129 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000341922912 1024995051 /nfs/dbraw/zinc/99/50/51/1024995051.db2.gz BMCGEQDLTWRXKT-IBGZPJMESA-N 1 1 344.418 4.405 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1sccc1Br ZINC000610812546 1025010712 /nfs/dbraw/zinc/01/07/12/1025010712.db2.gz KLRRPJXNFBUKJD-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610859167 1025072021 /nfs/dbraw/zinc/07/20/21/1025072021.db2.gz GIVLBTVBAWVFKE-BGYRXZFFSA-N 1 1 345.490 4.056 20 30 EIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000538398025 1025392207 /nfs/dbraw/zinc/39/22/07/1025392207.db2.gz AWFFHNZYPKNABR-GOSISDBHSA-N 1 1 333.479 4.395 20 30 EIEDMO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000512046063 1025842041 /nfs/dbraw/zinc/84/20/41/1025842041.db2.gz QFHHZAMYPLDMLP-POHAHGRESA-N 1 1 333.391 4.168 20 30 EIEDMO CC[N@@H+](CCOCc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000609384978 1025852664 /nfs/dbraw/zinc/85/26/64/1025852664.db2.gz AQBOGOJTCPXDQM-KRWDZBQOSA-N 1 1 338.451 4.167 20 30 EIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440403636 1025859066 /nfs/dbraw/zinc/85/90/66/1025859066.db2.gz GCYGJDREMGOCIM-AWEZNQCLSA-N 1 1 349.352 4.335 20 30 EIEDMO Cc1ccccc1C1CC([N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)C1 ZINC001167539396 1025998663 /nfs/dbraw/zinc/99/86/63/1025998663.db2.gz MGCUMHYUFXYHTO-POOLCLQXSA-N 1 1 346.474 4.311 20 30 EIEDMO 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/nfs/dbraw/zinc/52/43/18/1028524318.db2.gz DEZFHUOSEYNOIL-UHFFFAOYSA-N 1 1 325.843 4.288 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000346779022 1028656749 /nfs/dbraw/zinc/65/67/49/1028656749.db2.gz MGSPFCYOKDHRNC-UHFFFAOYSA-N 1 1 349.478 4.091 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281513288 1028672192 /nfs/dbraw/zinc/67/21/92/1028672192.db2.gz XMUQCJYBAPFEPO-IHPCNDPISA-N 1 1 343.515 4.036 20 30 EIEDMO CCC1CCC([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000444031725 1028746917 /nfs/dbraw/zinc/74/69/17/1028746917.db2.gz NSUNMLQJFFRTDC-UHFFFAOYSA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187782437 1028834845 /nfs/dbraw/zinc/83/48/45/1028834845.db2.gz WFCCZJGUDQUPAB-ACJLOTCBSA-N 1 1 330.378 4.199 20 30 EIEDMO CCCCN(CCC#N)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168050521 1028895200 /nfs/dbraw/zinc/89/52/00/1028895200.db2.gz BNSJOEUOFZFGNQ-CEQLMSFQSA-N 1 1 327.516 4.444 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246586651 1029091866 /nfs/dbraw/zinc/09/18/66/1029091866.db2.gz ZWFFZSIVRWPZMB-YSIASYRMSA-N 1 1 343.515 4.066 20 30 EIEDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)cc1C ZINC000444226018 1029092283 /nfs/dbraw/zinc/09/22/83/1029092283.db2.gz MKNNKGRKSJNMTB-UHFFFAOYSA-N 1 1 347.462 4.168 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](C)C#N ZINC000103469622 1029197789 /nfs/dbraw/zinc/19/77/89/1029197789.db2.gz OBTDHLVMSTYYOV-QGZVFWFLSA-N 1 1 335.451 4.164 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278553193 1029475272 /nfs/dbraw/zinc/47/52/72/1029475272.db2.gz ZMUCNIAUYXZLIL-MRXNPFEDSA-N 1 1 342.395 4.106 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000475278932 1029487188 /nfs/dbraw/zinc/48/71/88/1029487188.db2.gz LWFLDKVTBPOAGM-UHFFFAOYSA-N 1 1 341.451 4.291 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063949 1029621978 /nfs/dbraw/zinc/62/19/78/1029621978.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 1 1 325.500 4.054 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000525422835 1029633958 /nfs/dbraw/zinc/63/39/58/1029633958.db2.gz YDGFJGCGBCIVSP-OAQYLSRUSA-N 1 1 338.451 4.275 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000446976061 1029655534 /nfs/dbraw/zinc/65/55/34/1029655534.db2.gz FJXMXIKMPKFLAF-OAHLLOKOSA-N 1 1 326.362 4.143 20 30 EIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCCCC#N)c2c1C ZINC000301203545 1029686083 /nfs/dbraw/zinc/68/60/83/1029686083.db2.gz QMCJBDAEZIEQCK-UHFFFAOYSA-N 1 1 343.500 4.010 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C)c1C)c1ccc(F)c(F)c1 ZINC000187787157 1029795384 /nfs/dbraw/zinc/79/53/84/1029795384.db2.gz WMFBRZUTDFAIBP-HXUWFJFHSA-N 1 1 344.405 4.427 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc2ccccc21 ZINC000053017254 1029799596 /nfs/dbraw/zinc/79/95/96/1029799596.db2.gz GYSSCFUARJHLKR-UHFFFAOYSA-N 1 1 343.430 4.172 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000086187680 1029839282 /nfs/dbraw/zinc/83/92/82/1029839282.db2.gz LFNCBSHIUUYFME-GFCCVEGCSA-N 1 1 337.814 4.274 20 30 EIEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000091537157 1029888074 /nfs/dbraw/zinc/88/80/74/1029888074.db2.gz JXJMTWCLMGTURU-CYBMUJFWSA-N 1 1 339.277 4.064 20 30 EIEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OCc1ccccc1 ZINC000184097781 1030052916 /nfs/dbraw/zinc/05/29/16/1030052916.db2.gz PQNUCMPUMRWGLX-LJQANCHMSA-N 1 1 338.451 4.446 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441278207 1030123453 /nfs/dbraw/zinc/12/34/53/1030123453.db2.gz RBXVMONFMZWOQN-FGZHOGPDSA-N 1 1 346.474 4.474 20 30 EIEDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000164733474 1030135303 /nfs/dbraw/zinc/13/53/03/1030135303.db2.gz FIJCNZYFYXLWOI-QGZVFWFLSA-N 1 1 347.462 4.188 20 30 EIEDMO CC[C@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000447532585 1030136255 /nfs/dbraw/zinc/13/62/55/1030136255.db2.gz UZFHAEGVUAOQRZ-ROUUACIJSA-N 1 1 337.471 4.068 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451139793 1030254420 /nfs/dbraw/zinc/25/44/20/1030254420.db2.gz AYLOLTSGPFFSSO-YWPYICTPSA-N 1 1 326.362 4.118 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187788809 1030267088 /nfs/dbraw/zinc/26/70/88/1030267088.db2.gz YTJYDXMHABUPRO-AWEZNQCLSA-N 1 1 345.315 4.124 20 30 EIEDMO C=CC[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189169083 1030455239 /nfs/dbraw/zinc/45/52/39/1030455239.db2.gz LUWQGYWEXOPWNY-UHFFFAOYSA-N 1 1 332.797 4.099 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000451696648 1030651865 /nfs/dbraw/zinc/65/18/65/1030651865.db2.gz POTOGSAUDFDRQJ-HJNYFJLDSA-N 1 1 346.474 4.208 20 30 EIEDMO Cn1cc(C[NH+](Cc2cccs2)Cc2cccs2)cc1C#N ZINC000191187837 1030798070 /nfs/dbraw/zinc/79/80/70/1030798070.db2.gz DMMKNKQCNPPHFP-UHFFFAOYSA-N 1 1 327.478 4.222 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452003795 1030819347 /nfs/dbraw/zinc/81/93/47/1030819347.db2.gz GNNRIYFCWREUJM-LSDHHAIUSA-N 1 1 345.512 4.140 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000052753733 1031059033 /nfs/dbraw/zinc/05/90/33/1031059033.db2.gz OLUCGKVXTAHLPW-GOSISDBHSA-N 1 1 332.447 4.226 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000612165095 1031073749 /nfs/dbraw/zinc/07/37/49/1031073749.db2.gz IWPCZHRFMIYMER-QGZVFWFLSA-N 1 1 340.389 4.490 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000532483535 1031218670 /nfs/dbraw/zinc/21/86/70/1031218670.db2.gz MMLSTMDLOXAKMN-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000532483535 1031218680 /nfs/dbraw/zinc/21/86/80/1031218680.db2.gz MMLSTMDLOXAKMN-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCCCC#N)cc1OC ZINC000102401712 1031258634 /nfs/dbraw/zinc/25/86/34/1031258634.db2.gz ULRXEJOJDZWDKD-GOSISDBHSA-N 1 1 330.472 4.185 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCC(C)CC3)C2)CC1 ZINC001168210204 1031274573 /nfs/dbraw/zinc/27/45/73/1031274573.db2.gz IJVFLYOLFSBZHO-UHFFFAOYSA-N 1 1 334.504 4.066 20 30 EIEDMO C=C(C)CC[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC001168234648 1031386482 /nfs/dbraw/zinc/38/64/82/1031386482.db2.gz NJSAHSSPFOFDOI-UHFFFAOYSA-N 1 1 330.520 4.200 20 30 EIEDMO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364810862 1031408522 /nfs/dbraw/zinc/40/85/22/1031408522.db2.gz PMQXEARMTPDYPT-INIZCTEOSA-N 1 1 345.450 4.078 20 30 EIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC(C)C)c1C#N ZINC000065962028 1031621862 /nfs/dbraw/zinc/62/18/62/1031621862.db2.gz UMVGABQWPCJFKH-UHFFFAOYSA-N 1 1 344.503 4.008 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2cccs2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179926583 1031635379 /nfs/dbraw/zinc/63/53/79/1031635379.db2.gz VSNPNDANGQKZMD-UHFFFAOYSA-N 1 1 348.475 4.185 20 30 EIEDMO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453236517 1031756222 /nfs/dbraw/zinc/75/62/22/1031756222.db2.gz UQOZUYLEHKEFID-NJYVYQBISA-N 1 1 339.527 4.349 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053355627 1031767699 /nfs/dbraw/zinc/76/76/99/1031767699.db2.gz SSGGMMAMWOYFFT-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531975697 1031915563 /nfs/dbraw/zinc/91/55/63/1031915563.db2.gz QYTGYIXUQJOTOO-LBPRGKRZSA-N 1 1 343.334 4.202 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCOC1 ZINC000532016946 1031981413 /nfs/dbraw/zinc/98/14/13/1031981413.db2.gz FRDDIYNWJNXQBU-ZDUSSCGKSA-N 1 1 342.252 4.003 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000449819799 1032025529 /nfs/dbraw/zinc/02/55/29/1032025529.db2.gz JTQOSMHZBJNIMS-QGZVFWFLSA-N 1 1 346.540 4.213 20 30 EIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778498 1033424204 /nfs/dbraw/zinc/42/42/04/1033424204.db2.gz ZONBEPVSGDDPTP-RHSMWYFYSA-N 1 1 343.496 4.173 20 30 EIEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000512621520 1033513824 /nfs/dbraw/zinc/51/38/24/1033513824.db2.gz YWWBYZITDVHYEE-ADLMAVQZSA-N 1 1 334.341 4.014 20 30 EIEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000614164773 1033549996 /nfs/dbraw/zinc/54/99/96/1033549996.db2.gz YHICEZKXKPMKIL-UHFFFAOYSA-N 1 1 334.463 4.445 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168196 1033555377 /nfs/dbraw/zinc/55/53/77/1033555377.db2.gz XLPBYCUQPXPTAF-SFHVURJKSA-N 1 1 334.463 4.486 20 30 EIEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614168593 1033556001 /nfs/dbraw/zinc/55/60/01/1033556001.db2.gz LBMAYLVVCFTNGV-OAQYLSRUSA-N 1 1 334.463 4.370 20 30 EIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614168593 1033556012 /nfs/dbraw/zinc/55/60/12/1033556012.db2.gz LBMAYLVVCFTNGV-OAQYLSRUSA-N 1 1 334.463 4.370 20 30 EIEDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636182 1033577957 /nfs/dbraw/zinc/57/79/57/1033577957.db2.gz KECGDULGXUAWDL-MRXNPFEDSA-N 1 1 339.458 4.390 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512635811 1033579135 /nfs/dbraw/zinc/57/91/35/1033579135.db2.gz IKKWYUSRKJYXQU-VXGBXAGGSA-N 1 1 346.377 4.265 20 30 EIEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175858 1033595803 /nfs/dbraw/zinc/59/58/03/1033595803.db2.gz DMFLRFMNBGBYNB-UHFFFAOYSA-N 1 1 338.480 4.137 20 30 EIEDMO C[C@@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666375 1033661063 /nfs/dbraw/zinc/66/10/63/1033661063.db2.gz KFCLFVRTQPUUEI-RDTXWAMCSA-N 1 1 343.471 4.247 20 30 EIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1cnc2ccc(C#N)cn12 ZINC000512664251 1033674384 /nfs/dbraw/zinc/67/43/84/1033674384.db2.gz YTECGRGJBRVPQT-UHFFFAOYSA-N 1 1 340.430 4.034 20 30 EIEDMO CC(C)Oc1cccc(F)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211773367 1033876836 /nfs/dbraw/zinc/87/68/36/1033876836.db2.gz WKKBDEFWEUJWGI-UHFFFAOYSA-N 1 1 345.443 4.278 20 30 EIEDMO CC(C)Oc1cccc(F)c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211773367 1033876840 /nfs/dbraw/zinc/87/68/40/1033876840.db2.gz WKKBDEFWEUJWGI-UHFFFAOYSA-N 1 1 345.443 4.278 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551203 /nfs/dbraw/zinc/55/12/03/1034551203.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 1 1 347.506 4.352 20 30 EIEDMO COc1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513354034 1034888967 /nfs/dbraw/zinc/88/89/67/1034888967.db2.gz YHKBTCHIOOGMQD-APWZRJJASA-N 1 1 335.451 4.032 20 30 EIEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000513386823 1034905511 /nfs/dbraw/zinc/90/55/11/1034905511.db2.gz QUZDGKAWOFZIMT-QGZVFWFLSA-N 1 1 330.472 4.258 20 30 EIEDMO CCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](CC)c1ccccc1 ZINC000574917354 1035580742 /nfs/dbraw/zinc/58/07/42/1035580742.db2.gz QOKJLTAGXLQVOH-HXUWFJFHSA-N 1 1 347.466 4.354 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)Cc1cccs1 ZINC000485005848 1035588146 /nfs/dbraw/zinc/58/81/46/1035588146.db2.gz ZXRNXVSBOMFELZ-UHFFFAOYSA-N 1 1 344.480 4.164 20 30 EIEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1[N+](=O)[O-] ZINC000595091646 1035601697 /nfs/dbraw/zinc/60/16/97/1035601697.db2.gz SOXHZBQYRUNYOX-AWEZNQCLSA-N 1 1 331.416 4.118 20 30 EIEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC(F)F ZINC000046777049 1035652581 /nfs/dbraw/zinc/65/25/81/1035652581.db2.gz RAMIQAWHNLILPT-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000595520970 1035692044 /nfs/dbraw/zinc/69/20/44/1035692044.db2.gz UOAJGLVHPYGHLY-FQEVSTJZSA-N 1 1 330.435 4.204 20 30 EIEDMO COCc1cccc(OCC2(C[N@H+]3CCC[C@H](CC#N)C3)CCC2)c1 ZINC000595619984 1035736303 /nfs/dbraw/zinc/73/63/03/1035736303.db2.gz IUPGACMZLXKSLF-GOSISDBHSA-N 1 1 342.483 4.008 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618247 1035738186 /nfs/dbraw/zinc/73/81/86/1035738186.db2.gz ZSJUYAHRNUOUEZ-RCCFBDPRSA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618247 1035738235 /nfs/dbraw/zinc/73/82/35/1035738235.db2.gz ZSJUYAHRNUOUEZ-RCCFBDPRSA-N 1 1 349.478 4.031 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000595615699 1035751487 /nfs/dbraw/zinc/75/14/87/1035751487.db2.gz RSPKMODEPMLGEG-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000595615699 1035751506 /nfs/dbraw/zinc/75/15/06/1035751506.db2.gz RSPKMODEPMLGEG-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1F ZINC000593126910 1035806223 /nfs/dbraw/zinc/80/62/23/1035806223.db2.gz XXYKKOYTDIZQKK-ACRUOGEOSA-N 1 1 336.410 4.192 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000076734790 1035819029 /nfs/dbraw/zinc/81/90/29/1035819029.db2.gz NBCALUDCGPAROL-UHFFFAOYSA-N 1 1 338.411 4.098 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094385 1035820945 /nfs/dbraw/zinc/82/09/45/1035820945.db2.gz LVBOIWBBOGGPHD-KNQAVFIVSA-N 1 1 337.511 4.037 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094385 1035820951 /nfs/dbraw/zinc/82/09/51/1035820951.db2.gz LVBOIWBBOGGPHD-KNQAVFIVSA-N 1 1 337.511 4.037 20 30 EIEDMO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000571074111 1035934498 /nfs/dbraw/zinc/93/44/98/1035934498.db2.gz HJPWNUVVLHRVKY-CTNGQTDRSA-N 1 1 347.462 4.457 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(OC)c1O ZINC000761192617 1036005262 /nfs/dbraw/zinc/00/52/62/1036005262.db2.gz VDLOXPFVVMNKEU-UHFFFAOYSA-N 1 1 344.842 4.338 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000597013064 1036068671 /nfs/dbraw/zinc/06/86/71/1036068671.db2.gz BBKNHJNQQHCXCN-UTKZUKDTSA-N 1 1 332.447 4.204 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000597013064 1036068693 /nfs/dbraw/zinc/06/86/93/1036068693.db2.gz BBKNHJNQQHCXCN-UTKZUKDTSA-N 1 1 332.447 4.204 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)cc2)CC1 ZINC000597162752 1036137691 /nfs/dbraw/zinc/13/76/91/1036137691.db2.gz YLMVJIBJCMXJDQ-FQEVSTJZSA-N 1 1 336.479 4.023 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597173857 1036142069 /nfs/dbraw/zinc/14/20/69/1036142069.db2.gz LVXRSUNHTMDCBD-IBGZPJMESA-N 1 1 349.478 4.403 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174319 1036143504 /nfs/dbraw/zinc/14/35/04/1036143504.db2.gz OVHNPQZHAOHMLK-CQSZACIVSA-N 1 1 341.436 4.449 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000502444553 1036212790 /nfs/dbraw/zinc/21/27/90/1036212790.db2.gz IMHJACZFFPSEIK-CQSZACIVSA-N 1 1 346.833 4.494 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000502444553 1036212815 /nfs/dbraw/zinc/21/28/15/1036212815.db2.gz IMHJACZFFPSEIK-CQSZACIVSA-N 1 1 346.833 4.494 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000502452956 1036223297 /nfs/dbraw/zinc/22/32/97/1036223297.db2.gz BHOFDXCWNAAYPD-IAGOWNOFSA-N 1 1 340.442 4.080 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000502452956 1036223323 /nfs/dbraw/zinc/22/33/23/1036223323.db2.gz BHOFDXCWNAAYPD-IAGOWNOFSA-N 1 1 340.442 4.080 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502452955 1036224396 /nfs/dbraw/zinc/22/43/96/1036224396.db2.gz BHOFDXCWNAAYPD-DLBZAZTESA-N 1 1 340.442 4.080 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502452955 1036224428 /nfs/dbraw/zinc/22/44/28/1036224428.db2.gz BHOFDXCWNAAYPD-DLBZAZTESA-N 1 1 340.442 4.080 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000502471480 1036235135 /nfs/dbraw/zinc/23/51/35/1036235135.db2.gz ZZASDVRNVGISIX-RBUKOAKNSA-N 1 1 336.479 4.249 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000502471480 1036235150 /nfs/dbraw/zinc/23/51/50/1036235150.db2.gz ZZASDVRNVGISIX-RBUKOAKNSA-N 1 1 336.479 4.249 20 30 EIEDMO CCc1nc2cc(C[NH2+]Cc3cccc(F)c3C#N)ccc2n1C1CC1 ZINC000602015659 1036307611 /nfs/dbraw/zinc/30/76/11/1036307611.db2.gz FYYJJAHSLRHGNT-UHFFFAOYSA-N 1 1 348.425 4.234 20 30 EIEDMO N#Cc1cc(C[NH+]2CCC(c3c(F)cccc3F)CC2)ccc1F ZINC000485861036 1036333516 /nfs/dbraw/zinc/33/35/16/1036333516.db2.gz FVIVCGJYFCKPST-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000421382163 1036341288 /nfs/dbraw/zinc/34/12/88/1036341288.db2.gz BMLXXORLIFTTCR-ZDUSSCGKSA-N 1 1 343.389 4.294 20 30 EIEDMO CCC(C#N)(CC)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000602256497 1036363902 /nfs/dbraw/zinc/36/39/02/1036363902.db2.gz AIPZHTJHVIOLAI-UHFFFAOYSA-N 1 1 327.472 4.317 20 30 EIEDMO CCN(C(=O)CCCCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000588648172 1036388848 /nfs/dbraw/zinc/38/88/48/1036388848.db2.gz CJQGHXHOCHDZNX-ICSRJNTNSA-N 1 1 341.499 4.144 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C[C@H](C)C#N ZINC000075678148 1036408604 /nfs/dbraw/zinc/40/86/04/1036408604.db2.gz PNSDXXQENWDDBU-LLVKDONJSA-N 1 1 332.391 4.289 20 30 EIEDMO CC[N@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C[C@H](C)C#N ZINC000075678148 1036408620 /nfs/dbraw/zinc/40/86/20/1036408620.db2.gz PNSDXXQENWDDBU-LLVKDONJSA-N 1 1 332.391 4.289 20 30 EIEDMO N#Cc1cnc(C[N@@H+]2CCC[C@H](Cc3csc4ccccc34)C2)nc1 ZINC000572137298 1036442527 /nfs/dbraw/zinc/44/25/27/1036442527.db2.gz ZSGQWRRCXRIHNA-OAHLLOKOSA-N 1 1 348.475 4.018 20 30 EIEDMO N#Cc1cnc(C[N@H+]2CCC[C@H](Cc3csc4ccccc34)C2)nc1 ZINC000572137298 1036442534 /nfs/dbraw/zinc/44/25/34/1036442534.db2.gz ZSGQWRRCXRIHNA-OAHLLOKOSA-N 1 1 348.475 4.018 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000602457311 1036453201 /nfs/dbraw/zinc/45/32/01/1036453201.db2.gz FSHXVOLDDFBYDI-HNNXBMFYSA-N 1 1 329.419 4.285 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480848 1036461585 /nfs/dbraw/zinc/46/15/85/1036461585.db2.gz CUMMXKIEQKSOEI-CJNGLKHVSA-N 1 1 326.362 4.019 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480848 1036461592 /nfs/dbraw/zinc/46/15/92/1036461592.db2.gz CUMMXKIEQKSOEI-CJNGLKHVSA-N 1 1 326.362 4.019 20 30 EIEDMO C[NH+](C)Cc1ccc(NC2CCC(C#N)CC2)cc1Br ZINC000602626102 1036521525 /nfs/dbraw/zinc/52/15/25/1036521525.db2.gz IICOJJWTPHATOC-UHFFFAOYSA-N 1 1 336.277 4.005 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000602781082 1036620334 /nfs/dbraw/zinc/62/03/34/1036620334.db2.gz GZGQICQEAYDLPB-VXKWHMMOSA-N 1 1 332.447 4.031 20 30 EIEDMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909184 1036662754 /nfs/dbraw/zinc/66/27/54/1036662754.db2.gz IENYKYRUEPNSFR-CQSZACIVSA-N 1 1 338.455 4.179 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889955 1036663170 /nfs/dbraw/zinc/66/31/70/1036663170.db2.gz XNXZZIBVLNLHNY-DNVCBOLYSA-N 1 1 328.419 4.052 20 30 EIEDMO Cc1ccc(C#N)nc1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000589107501 1036668082 /nfs/dbraw/zinc/66/80/82/1036668082.db2.gz CKPZFWYRYGUTBE-QGZVFWFLSA-N 1 1 334.467 4.248 20 30 EIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586618 1036705976 /nfs/dbraw/zinc/70/59/76/1036705976.db2.gz JESUHADQQXTBIC-DGCLKSJQSA-N 1 1 329.271 4.287 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592005 1036708351 /nfs/dbraw/zinc/70/83/51/1036708351.db2.gz DOCFSPWYHSZMSV-SFTDATJTSA-N 1 1 334.463 4.087 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721547 /nfs/dbraw/zinc/72/15/47/1036721547.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721572 /nfs/dbraw/zinc/72/15/72/1036721572.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300651 1036721596 /nfs/dbraw/zinc/72/15/96/1036721596.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300651 1036721608 /nfs/dbraw/zinc/72/16/08/1036721608.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000589311454 1036744851 /nfs/dbraw/zinc/74/48/51/1036744851.db2.gz AYQCDYKAQBJOFZ-AWEZNQCLSA-N 1 1 329.469 4.290 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)CC(C)(C)C#N ZINC000598726169 1036763527 /nfs/dbraw/zinc/76/35/27/1036763527.db2.gz OLCXBUUWDUOKHS-WMZOPIPTSA-N 1 1 329.488 4.087 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)CC(C)(C)C#N ZINC000598726169 1036763530 /nfs/dbraw/zinc/76/35/30/1036763530.db2.gz OLCXBUUWDUOKHS-WMZOPIPTSA-N 1 1 329.488 4.087 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1Cl ZINC000589647721 1036860665 /nfs/dbraw/zinc/86/06/65/1036860665.db2.gz LIALUJRRCRBDJB-UHFFFAOYSA-N 1 1 334.891 4.011 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 ZINC000057395843 1037043132 /nfs/dbraw/zinc/04/31/32/1037043132.db2.gz JMIBFEUKFNNLOU-KRWDZBQOSA-N 1 1 339.483 4.474 20 30 EIEDMO Cc1csc(C2([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCC2)n1 ZINC000271929396 1037053990 /nfs/dbraw/zinc/05/39/90/1037053990.db2.gz CZXNLQWRSMUPFT-AWEZNQCLSA-N 1 1 327.453 4.084 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000599653301 1037118267 /nfs/dbraw/zinc/11/82/67/1037118267.db2.gz TUSIXQOEKZTQCE-LNCBFAARSA-N 1 1 333.273 4.319 20 30 EIEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c2ccccc2n1 ZINC000599679462 1037130876 /nfs/dbraw/zinc/13/08/76/1037130876.db2.gz SQNHKYJSWCAOMK-UHFFFAOYSA-N 1 1 327.431 4.168 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000487591072 1037169474 /nfs/dbraw/zinc/16/94/74/1037169474.db2.gz AKSYEMULNZLVTD-YADHBBJMSA-N 1 1 348.490 4.127 20 30 EIEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000272532662 1037210096 /nfs/dbraw/zinc/21/00/96/1037210096.db2.gz IRXZZAYKPHNEEU-IAGOWNOFSA-N 1 1 349.478 4.031 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488109876 1037363545 /nfs/dbraw/zinc/36/35/45/1037363545.db2.gz KWBKCIGJCQLTOI-HXUWFJFHSA-N 1 1 344.462 4.189 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521517 1037402425 /nfs/dbraw/zinc/40/24/25/1037402425.db2.gz OEWIEAYMBBLSJE-CTNGQTDRSA-N 1 1 338.426 4.297 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000488414702 1037583644 /nfs/dbraw/zinc/58/36/44/1037583644.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 1 1 347.506 4.211 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000488414702 1037583653 /nfs/dbraw/zinc/58/36/53/1037583653.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 1 1 347.506 4.211 20 30 EIEDMO CCN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488414702 1037583671 /nfs/dbraw/zinc/58/36/71/1037583671.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 1 1 347.506 4.211 20 30 EIEDMO CCN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488414702 1037583692 /nfs/dbraw/zinc/58/36/92/1037583692.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 1 1 347.506 4.211 20 30 EIEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667070 1037705913 /nfs/dbraw/zinc/70/59/13/1037705913.db2.gz CUFJFDACYULDDT-SJORKVTESA-N 1 1 335.451 4.481 20 30 EIEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667070 1037705925 /nfs/dbraw/zinc/70/59/25/1037705925.db2.gz CUFJFDACYULDDT-SJORKVTESA-N 1 1 335.451 4.481 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1cc(F)cc(Br)c1 ZINC000592108399 1037729650 /nfs/dbraw/zinc/72/96/50/1037729650.db2.gz YTMLAJKQAUYYIN-INIZCTEOSA-N 1 1 348.219 4.096 20 30 EIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)c2c1 ZINC000488757283 1037740327 /nfs/dbraw/zinc/74/03/27/1037740327.db2.gz YAKHDTLBMHBNLH-MRXNPFEDSA-N 1 1 348.494 4.034 20 30 EIEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000593067437 1037900808 /nfs/dbraw/zinc/90/08/08/1037900808.db2.gz SQSPHPYIDJLKGP-INIZCTEOSA-N 1 1 346.902 4.402 20 30 EIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592497828 1038074722 /nfs/dbraw/zinc/07/47/22/1038074722.db2.gz ADZMCWXXNUJQES-INIZCTEOSA-N 1 1 348.450 4.443 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000607433789 1038129941 /nfs/dbraw/zinc/12/99/41/1038129941.db2.gz FMZZYFHEEXTRRE-CQSZACIVSA-N 1 1 348.899 4.094 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000607433789 1038129995 /nfs/dbraw/zinc/12/99/95/1038129995.db2.gz FMZZYFHEEXTRRE-CQSZACIVSA-N 1 1 348.899 4.094 20 30 EIEDMO C=CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679592 1038206758 /nfs/dbraw/zinc/20/67/58/1038206758.db2.gz MTWIIVNJYWCDRH-FCHUYYIVSA-N 1 1 348.490 4.079 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(OC(F)F)c1 ZINC000489843466 1038250380 /nfs/dbraw/zinc/25/03/80/1038250380.db2.gz MTOURVPCRQGRGI-OAHLLOKOSA-N 1 1 346.352 4.288 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905205 1038262835 /nfs/dbraw/zinc/26/28/35/1038262835.db2.gz HFLDNTKJIQVLNG-MRUHUIDDSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905205 1038262845 /nfs/dbraw/zinc/26/28/45/1038262845.db2.gz HFLDNTKJIQVLNG-MRUHUIDDSA-N 1 1 337.442 4.011 20 30 EIEDMO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046517978 1038298281 /nfs/dbraw/zinc/29/82/81/1038298281.db2.gz ABXRNFRQUYFXNT-UTKZUKDTSA-N 1 1 349.478 4.036 20 30 EIEDMO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046517978 1038298292 /nfs/dbraw/zinc/29/82/92/1038298292.db2.gz ABXRNFRQUYFXNT-UTKZUKDTSA-N 1 1 349.478 4.036 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(F)(F)F)cs1 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EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000092788758 1039591330 /nfs/dbraw/zinc/59/13/30/1039591330.db2.gz VXSPQSVBBPBOAH-INIZCTEOSA-N 1 1 344.480 4.096 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093453489 1039701249 /nfs/dbraw/zinc/70/12/49/1039701249.db2.gz OIXICMBFIUNMHP-NRFANRHFSA-N 1 1 334.467 4.077 20 30 EIEDMO CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730773 1039793181 /nfs/dbraw/zinc/79/31/81/1039793181.db2.gz DHGGJDPMMCLOEY-QZTJIDSGSA-N 1 1 349.478 4.401 20 30 EIEDMO COc1cc(C[N@@H+](CC#Cc2ccc(Cl)cc2)C2CC2)ccc1O ZINC000534865883 1039818513 /nfs/dbraw/zinc/81/85/13/1039818513.db2.gz XPNZBPXWAHSSSF-UHFFFAOYSA-N 1 1 341.838 4.070 20 30 EIEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]1C2(F)F ZINC000430096810 1039840749 /nfs/dbraw/zinc/84/07/49/1039840749.db2.gz QAGOUKWOCACKPJ-UONOGXRCSA-N 1 1 330.300 4.054 20 30 EIEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]1C2(F)F ZINC000430096810 1039840753 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EIEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050068 1039915315 /nfs/dbraw/zinc/91/53/15/1039915315.db2.gz DGPFSUUOJHTRCP-LEWJYISDSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551050068 1039915341 /nfs/dbraw/zinc/91/53/41/1039915341.db2.gz DGPFSUUOJHTRCP-LEWJYISDSA-N 1 1 336.479 4.177 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](Cc2ccccn2)C(C)C)ccc1OC ZINC000535082864 1039920454 /nfs/dbraw/zinc/92/04/54/1039920454.db2.gz SCEVSHASUMQTMA-UHFFFAOYSA-N 1 1 340.467 4.456 20 30 EIEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCCC1 ZINC000514492132 1039942422 /nfs/dbraw/zinc/94/24/22/1039942422.db2.gz DVRKSXYVZNXMNV-UHFFFAOYSA-N 1 1 347.890 4.241 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccccc2OC)ccc1OC ZINC000505586806 1039982971 /nfs/dbraw/zinc/98/29/71/1039982971.db2.gz WDIHQYFJLUGHSK-UHFFFAOYSA-N 1 1 341.451 4.291 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000476986033 1040096917 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C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1C ZINC000160307597 1040449211 /nfs/dbraw/zinc/44/92/11/1040449211.db2.gz KSHPENWYSFRVDE-HXUWFJFHSA-N 1 1 337.467 4.014 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1C ZINC000160307597 1040449221 /nfs/dbraw/zinc/44/92/21/1040449221.db2.gz KSHPENWYSFRVDE-HXUWFJFHSA-N 1 1 337.467 4.014 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000491260699 1040509164 /nfs/dbraw/zinc/50/91/64/1040509164.db2.gz RBLFIXFMGGUDKS-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000491260699 1040509173 /nfs/dbraw/zinc/50/91/73/1040509173.db2.gz RBLFIXFMGGUDKS-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000482865011 1040524473 /nfs/dbraw/zinc/52/44/73/1040524473.db2.gz JDHVPFVMDJBLLD-CQSZACIVSA-N 1 1 345.414 4.259 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCC)cc1C ZINC000668146046 1040526862 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COc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1OCCCC#N ZINC000160731117 1040697146 /nfs/dbraw/zinc/69/71/46/1040697146.db2.gz YEOKATLJWGTBIW-UHFFFAOYSA-N 1 1 342.414 4.149 20 30 EIEDMO Cn1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1C#N ZINC000483163689 1040751471 /nfs/dbraw/zinc/75/14/71/1040751471.db2.gz ZPTVHHUPCFVZRN-UHFFFAOYSA-N 1 1 329.447 4.142 20 30 EIEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000483187201 1040762482 /nfs/dbraw/zinc/76/24/82/1040762482.db2.gz TXUISVOGPNIZGK-UHFFFAOYSA-N 1 1 335.373 4.326 20 30 EIEDMO Cn1cc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)cc1C#N ZINC000483255636 1040790068 /nfs/dbraw/zinc/79/00/68/1040790068.db2.gz BHVBZFLRJZQLGD-UHFFFAOYSA-N 1 1 329.394 4.120 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)cc1C#N ZINC000483255636 1040790086 /nfs/dbraw/zinc/79/00/86/1040790086.db2.gz BHVBZFLRJZQLGD-UHFFFAOYSA-N 1 1 329.394 4.120 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293223 1040801672 /nfs/dbraw/zinc/80/16/72/1040801672.db2.gz IBVSEVPKTYFVJN-ACJLOTCBSA-N 1 1 347.384 4.499 20 30 EIEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1C#N ZINC000483304205 1040810314 /nfs/dbraw/zinc/81/03/14/1040810314.db2.gz BBFHTEGJODJNSF-UHFFFAOYSA-N 1 1 346.261 4.493 20 30 EIEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(C#N)c(F)c3)ccc2c1 ZINC000483519798 1040883937 /nfs/dbraw/zinc/88/39/37/1040883937.db2.gz PAZBRQXHLAULOR-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO C=CCOc1ccccc1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000462760956 1040899927 /nfs/dbraw/zinc/89/99/27/1040899927.db2.gz IZFCKSDFLITNLL-UHFFFAOYSA-N 1 1 347.418 4.306 20 30 EIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)Cc1ccco1 ZINC000505771213 1040961703 /nfs/dbraw/zinc/96/17/03/1040961703.db2.gz LGFZZIKKRYQFQW-UHFFFAOYSA-N 1 1 339.483 4.153 20 30 EIEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1cc(C#N)cs1 ZINC000462830118 1040983327 /nfs/dbraw/zinc/98/33/27/1040983327.db2.gz UIWXKMBXDXOATO-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 ZINC000480192525 1041067788 /nfs/dbraw/zinc/06/77/88/1041067788.db2.gz HXHBTBKGGDRIJN-GFCCVEGCSA-N 1 1 338.760 4.456 20 30 EIEDMO C[C@@H]1C[C@H](N(C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934922 1041069537 /nfs/dbraw/zinc/06/95/37/1041069537.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 1 1 332.491 4.023 20 30 EIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000484062613 1041111662 /nfs/dbraw/zinc/11/16/62/1041111662.db2.gz CVLVPXNZYZKVNV-HNNXBMFYSA-N 1 1 326.415 4.017 20 30 EIEDMO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538602 1041195772 /nfs/dbraw/zinc/19/57/72/1041195772.db2.gz SIXUEECUFVAVGW-AWEZNQCLSA-N 1 1 336.414 4.260 20 30 EIEDMO CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538602 1041195783 /nfs/dbraw/zinc/19/57/83/1041195783.db2.gz SIXUEECUFVAVGW-AWEZNQCLSA-N 1 1 336.414 4.260 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425542836 1041219411 /nfs/dbraw/zinc/21/94/11/1041219411.db2.gz YUOSJKCQZCPOIG-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425542836 1041219428 /nfs/dbraw/zinc/21/94/28/1041219428.db2.gz YUOSJKCQZCPOIG-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000425543060 1041224455 /nfs/dbraw/zinc/22/44/55/1041224455.db2.gz ZAAHYYFTUGBXRI-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540953 1041229075 /nfs/dbraw/zinc/22/90/75/1041229075.db2.gz VZXLHUCLLQFXQX-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540953 1041229089 /nfs/dbraw/zinc/22/90/89/1041229089.db2.gz VZXLHUCLLQFXQX-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000667670249 1041273545 /nfs/dbraw/zinc/27/35/45/1041273545.db2.gz IIECTKMUGOSSLU-OAQYLSRUSA-N 1 1 344.458 4.479 20 30 EIEDMO Cc1[nH+]cn(CCCCc2noc(-c3c(C)cc(C#N)cc3C)n2)c1C ZINC000904102698 1041327055 /nfs/dbraw/zinc/32/70/55/1041327055.db2.gz YTPPUJWFFDFTAF-UHFFFAOYSA-N 1 1 349.438 4.061 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000480564780 1041396172 /nfs/dbraw/zinc/39/61/72/1041396172.db2.gz RYEURBYQDDSFAY-HXUWFJFHSA-N 1 1 340.854 4.084 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000042123408 1041423808 /nfs/dbraw/zinc/42/38/08/1041423808.db2.gz IYXUPRDKXYEJQS-AWEZNQCLSA-N 1 1 330.497 4.166 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463211396 1041423921 /nfs/dbraw/zinc/42/39/21/1041423921.db2.gz PUBFPFVXHKMXFS-QRVBRYPASA-N 1 1 332.875 4.117 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201566 1041428319 /nfs/dbraw/zinc/42/83/19/1041428319.db2.gz MACQGMYIZCHNAN-DPZWOIPNSA-N 1 1 346.902 4.363 20 30 EIEDMO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)ccc1C#N ZINC000516217283 1041455463 /nfs/dbraw/zinc/45/54/63/1041455463.db2.gz GMNYEESYYLSFMJ-UHFFFAOYSA-N 1 1 338.304 4.015 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)c(F)c1 ZINC000480683897 1041478450 /nfs/dbraw/zinc/47/84/50/1041478450.db2.gz SIXJEATWYVKBLP-LLVKDONJSA-N 1 1 342.805 4.088 20 30 EIEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001270130089 1041491011 /nfs/dbraw/zinc/49/10/11/1041491011.db2.gz AIWBIVLLISUIFU-PKOBYXMFSA-N 1 1 328.500 4.006 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1N1CCCC1 ZINC000540506938 1041505522 /nfs/dbraw/zinc/50/55/22/1041505522.db2.gz CSZPTJBMGFSCRZ-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1N1CCCC1 ZINC000540506938 1041505532 /nfs/dbraw/zinc/50/55/32/1041505532.db2.gz CSZPTJBMGFSCRZ-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OCCC)c1 ZINC000516440778 1041577972 /nfs/dbraw/zinc/57/79/72/1041577972.db2.gz KFDIJMOPAUXJAI-UHFFFAOYSA-N 1 1 329.440 4.139 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OCCC)c1 ZINC000516440778 1041577982 /nfs/dbraw/zinc/57/79/82/1041577982.db2.gz KFDIJMOPAUXJAI-UHFFFAOYSA-N 1 1 329.440 4.139 20 30 EIEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000538955628 1041589944 /nfs/dbraw/zinc/58/99/44/1041589944.db2.gz SZLGWPMUZCQNPC-UHFFFAOYSA-N 1 1 336.435 4.458 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000506022482 1041745554 /nfs/dbraw/zinc/74/55/54/1041745554.db2.gz UVVQLEHIEBPYBG-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000437424405 1041797073 /nfs/dbraw/zinc/79/70/73/1041797073.db2.gz FLMGGQMPVMUOND-KRWDZBQOSA-N 1 1 328.362 4.279 20 30 EIEDMO C[C@@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000506052292 1041808028 /nfs/dbraw/zinc/80/80/28/1041808028.db2.gz SLRMANFJYZVMKO-LBPRGKRZSA-N 1 1 331.872 4.132 20 30 EIEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1F ZINC000517046843 1041853143 /nfs/dbraw/zinc/85/31/43/1041853143.db2.gz IOFGMNVHHPXEON-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322953 1041892930 /nfs/dbraw/zinc/89/29/30/1041892930.db2.gz XWHHRNJAXGNXJD-YWZLYKJASA-N 1 1 336.435 4.159 20 30 EIEDMO Cc1ccc(OCC[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000506128836 1041898663 /nfs/dbraw/zinc/89/86/63/1041898663.db2.gz LZCLBWDFPPCLLU-UHFFFAOYSA-N 1 1 338.451 4.188 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(CC#N)cc1 ZINC000541348888 1041899456 /nfs/dbraw/zinc/89/94/56/1041899456.db2.gz IZAFIFIYJKSTAA-UHFFFAOYSA-N 1 1 345.446 4.472 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000464435946 1042004873 /nfs/dbraw/zinc/00/48/73/1042004873.db2.gz BFCGOQGNNXZMIC-QZTJIDSGSA-N 1 1 328.500 4.280 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000438191010 1042083071 /nfs/dbraw/zinc/08/30/71/1042083071.db2.gz PDEOASBTZQQHSR-KRWDZBQOSA-N 1 1 338.476 4.181 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)cc1C ZINC000541763637 1042097369 /nfs/dbraw/zinc/09/73/69/1042097369.db2.gz QSKPCPCZTSBNCI-MRXNPFEDSA-N 1 1 344.462 4.405 20 30 EIEDMO CC#CCCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000464655362 1042107679 /nfs/dbraw/zinc/10/76/79/1042107679.db2.gz OFWMFYAWYNJWFW-UHFFFAOYSA-N 1 1 340.511 4.261 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)cc1OCCCC#N ZINC000438344969 1042146646 /nfs/dbraw/zinc/14/66/46/1042146646.db2.gz CTYWWIVAFSKXMI-SFHVURJKSA-N 1 1 330.472 4.246 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464775123 1042157760 /nfs/dbraw/zinc/15/77/60/1042157760.db2.gz RSISNHQQHQSQSP-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464775123 1042157767 /nfs/dbraw/zinc/15/77/67/1042157767.db2.gz RSISNHQQHQSQSP-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO CC(C)C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000464865593 1042207380 /nfs/dbraw/zinc/20/73/80/1042207380.db2.gz IHIWQPSFOUIOHO-UHFFFAOYSA-N 1 1 337.398 4.497 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC000518023270 1042310164 /nfs/dbraw/zinc/31/01/64/1042310164.db2.gz OQBJMWBZLOGZME-UHFFFAOYSA-N 1 1 345.874 4.196 20 30 EIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247656 1042357935 /nfs/dbraw/zinc/35/79/35/1042357935.db2.gz FDOMYQLXFHOTMP-MGPUTAFESA-N 1 1 336.435 4.159 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000491342345 1042410205 /nfs/dbraw/zinc/41/02/05/1042410205.db2.gz JCIULLUQIHIQRX-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO COc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000108421174 1042413223 /nfs/dbraw/zinc/41/32/23/1042413223.db2.gz CJAITFUACZTYAN-JOCHJYFZSA-N 1 1 328.415 4.446 20 30 EIEDMO C=CC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1F ZINC000303505188 1042453043 /nfs/dbraw/zinc/45/30/43/1042453043.db2.gz BGRMJYIWUAKRAL-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO C=CC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1F ZINC000303505188 1042453048 /nfs/dbraw/zinc/45/30/48/1042453048.db2.gz BGRMJYIWUAKRAL-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000439006411 1042457672 /nfs/dbraw/zinc/45/76/72/1042457672.db2.gz QXYXAAHPCZENJB-LJQANCHMSA-N 1 1 336.483 4.431 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000439006411 1042457675 /nfs/dbraw/zinc/45/76/75/1042457675.db2.gz QXYXAAHPCZENJB-LJQANCHMSA-N 1 1 336.483 4.431 20 30 EIEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000439006409 1042458000 /nfs/dbraw/zinc/45/80/00/1042458000.db2.gz QXYXAAHPCZENJB-IBGZPJMESA-N 1 1 336.483 4.431 20 30 EIEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000439006409 1042458004 /nfs/dbraw/zinc/45/80/04/1042458004.db2.gz QXYXAAHPCZENJB-IBGZPJMESA-N 1 1 336.483 4.431 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010471 1042459069 /nfs/dbraw/zinc/45/90/69/1042459069.db2.gz QOPSLHOIRRCOET-XUVXKRRUSA-N 1 1 331.887 4.097 20 30 EIEDMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010462 1042459097 /nfs/dbraw/zinc/45/90/97/1042459097.db2.gz QOPSLHOIRRCOET-HSALFYBXSA-N 1 1 331.887 4.097 20 30 EIEDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934166 1042534402 /nfs/dbraw/zinc/53/44/02/1042534402.db2.gz METPKSQIOYERSU-IIBYNOLFSA-N 1 1 337.442 4.185 20 30 EIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000518595862 1042582925 /nfs/dbraw/zinc/58/29/25/1042582925.db2.gz ABLUOUVCLKDVII-UNMCSNQZSA-N 1 1 349.478 4.031 20 30 EIEDMO COc1ccccc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426378568 1042618951 /nfs/dbraw/zinc/61/89/51/1042618951.db2.gz QHHZUMWJCMSLNP-UHFFFAOYSA-N 1 1 333.353 4.198 20 30 EIEDMO COc1ccccc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426378568 1042618955 /nfs/dbraw/zinc/61/89/55/1042618955.db2.gz QHHZUMWJCMSLNP-UHFFFAOYSA-N 1 1 333.353 4.198 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000439433999 1042621689 /nfs/dbraw/zinc/62/16/89/1042621689.db2.gz ASKAPWXOLHRLSA-KRWDZBQOSA-N 1 1 340.810 4.277 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000439433999 1042621695 /nfs/dbraw/zinc/62/16/95/1042621695.db2.gz ASKAPWXOLHRLSA-KRWDZBQOSA-N 1 1 340.810 4.277 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)Cc1ccccc1N1CCCC1 ZINC000439432804 1042622254 /nfs/dbraw/zinc/62/22/54/1042622254.db2.gz WEABCDPGKAREDR-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)Cc1ccccc1N1CCCC1 ZINC000439432804 1042622263 /nfs/dbraw/zinc/62/22/63/1042622263.db2.gz WEABCDPGKAREDR-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000439443469 1042629420 /nfs/dbraw/zinc/62/94/20/1042629420.db2.gz WCIQKKKWJIZSLI-LBPRGKRZSA-N 1 1 330.815 4.080 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000439449370 1042634579 /nfs/dbraw/zinc/63/45/79/1042634579.db2.gz GPEWJIQOBJYASB-JQHSSLGASA-N 1 1 332.875 4.237 20 30 EIEDMO C[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492629359 1042711682 /nfs/dbraw/zinc/71/16/82/1042711682.db2.gz JZWJZLKHDVQYPU-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000506659855 1042748101 /nfs/dbraw/zinc/74/81/01/1042748101.db2.gz GQBJEZKNAWAZGP-UHFFFAOYSA-N 1 1 345.446 4.417 20 30 EIEDMO C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000311384582 1042858657 /nfs/dbraw/zinc/85/86/57/1042858657.db2.gz WGXXYCBVARLARB-NQIIRXRSSA-N 1 1 349.478 4.444 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001141620914 1042876811 /nfs/dbraw/zinc/87/68/11/1042876811.db2.gz LPDSQLIVGIDKKL-KRWDZBQOSA-N 1 1 329.241 4.338 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001141620914 1042876813 /nfs/dbraw/zinc/87/68/13/1042876813.db2.gz LPDSQLIVGIDKKL-KRWDZBQOSA-N 1 1 329.241 4.338 20 30 EIEDMO C[C@@H](O[NH+]=C(N)C1CCCCCC1)c1nnc(-c2ccccc2)o1 ZINC000179004699 1043023850 /nfs/dbraw/zinc/02/38/50/1043023850.db2.gz ZSCOPRBQNBENCU-CYBMUJFWSA-N 1 1 328.416 4.057 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(F)cc4C#N)C3)nc2c1 ZINC000536470399 1043028348 /nfs/dbraw/zinc/02/83/48/1043028348.db2.gz BLPHHEWDAXJGGC-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4C#N)C3)nc2c1 ZINC000536470399 1043028358 /nfs/dbraw/zinc/02/83/58/1043028358.db2.gz BLPHHEWDAXJGGC-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4C#N)C3)[nH]c2c1 ZINC000536470399 1043028372 /nfs/dbraw/zinc/02/83/72/1043028372.db2.gz BLPHHEWDAXJGGC-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4C#N)C3)[nH]c2c1 ZINC000536470399 1043028377 /nfs/dbraw/zinc/02/83/77/1043028377.db2.gz BLPHHEWDAXJGGC-MRXNPFEDSA-N 1 1 348.425 4.262 20 30 EIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555057 1043049016 /nfs/dbraw/zinc/04/90/16/1043049016.db2.gz LDCZLCMDGDOVGP-ZWNOBZJWSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555057 1043049024 /nfs/dbraw/zinc/04/90/24/1043049024.db2.gz LDCZLCMDGDOVGP-ZWNOBZJWSA-N 1 1 348.315 4.322 20 30 EIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599544 1043118814 /nfs/dbraw/zinc/11/88/14/1043118814.db2.gz LVVNPXFEUPQXQO-CHWSQXEVSA-N 1 1 333.863 4.049 20 30 EIEDMO C=C(C)[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1ccc(F)c(F)c1 ZINC000184837797 1043133602 /nfs/dbraw/zinc/13/36/02/1043133602.db2.gz POHHKDYQCFBILG-SFHVURJKSA-N 1 1 347.409 4.108 20 30 EIEDMO N#Cc1cccc(CNCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112710460 1043140415 /nfs/dbraw/zinc/14/04/15/1043140415.db2.gz JQPBQCSPQALYDY-UHFFFAOYSA-N 1 1 333.479 4.224 20 30 EIEDMO COCCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000132625140 1043177065 /nfs/dbraw/zinc/17/70/65/1043177065.db2.gz SQPVOHGKWKMVQV-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000187372486 1043345706 /nfs/dbraw/zinc/34/57/06/1043345706.db2.gz XMKOVKVOHVKJDW-LJQANCHMSA-N 1 1 333.378 4.389 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2cc(C)ccn12)c1ccc(F)c(F)c1 ZINC000187373674 1043346176 /nfs/dbraw/zinc/34/61/76/1043346176.db2.gz VBRBBBRWNIYNSG-IBGZPJMESA-N 1 1 327.378 4.328 20 30 EIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499601362 1043389559 /nfs/dbraw/zinc/38/95/59/1043389559.db2.gz XAMJZRZDHASHLN-CVEARBPZSA-N 1 1 330.447 4.234 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC=C(c3cccc(F)c3)CC2)CCOCC1 ZINC000366895090 1043450382 /nfs/dbraw/zinc/45/03/82/1043450382.db2.gz WKCDZZVRCXJBRG-UHFFFAOYSA-N 1 1 328.431 4.015 20 30 EIEDMO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012995 1043470671 /nfs/dbraw/zinc/47/06/71/1043470671.db2.gz GRTHPYSPQZSCGR-BBIADKPPSA-N 1 1 347.506 4.132 20 30 EIEDMO C=CCOc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000521180965 1043622232 /nfs/dbraw/zinc/62/22/32/1043622232.db2.gz QMLNJNCTYVWFJN-SFHVURJKSA-N 1 1 344.842 4.146 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000731211804 1043714887 /nfs/dbraw/zinc/71/48/87/1043714887.db2.gz BPADJUKTTYNCLO-OAQYLSRUSA-N 1 1 334.463 4.358 20 30 EIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731212016 1043715289 /nfs/dbraw/zinc/71/52/89/1043715289.db2.gz OAROYBZDQBEVGD-NRFANRHFSA-N 1 1 336.435 4.107 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000172119804 1043719546 /nfs/dbraw/zinc/71/95/46/1043719546.db2.gz FQYIYVXSSKOQEK-UHFFFAOYSA-N 1 1 326.268 4.145 20 30 EIEDMO CCOc1cccc(/C=N\C[C@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488644 1043763860 /nfs/dbraw/zinc/76/38/60/1043763860.db2.gz OALGGXMQFUVFHM-HBEGMLAUSA-N 1 1 344.499 4.255 20 30 EIEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574904 1043803096 /nfs/dbraw/zinc/80/30/96/1043803096.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574904 1043803099 /nfs/dbraw/zinc/80/30/99/1043803099.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574904 1043803100 /nfs/dbraw/zinc/80/31/00/1043803100.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 1 1 333.479 4.043 20 30 EIEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000521496431 1043805048 /nfs/dbraw/zinc/80/50/48/1043805048.db2.gz LGSWTWBJFQWIJA-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731661457 1043810585 /nfs/dbraw/zinc/81/05/85/1043810585.db2.gz MYKZOGWEVYKAOW-UHFFFAOYSA-N 1 1 330.435 4.290 20 30 EIEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000731667423 1043813550 /nfs/dbraw/zinc/81/35/50/1043813550.db2.gz ZQLVVPZEPORSQY-UHFFFAOYSA-N 1 1 341.476 4.061 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)c(OC)c2)s1 ZINC000442884046 1043882188 /nfs/dbraw/zinc/88/21/88/1043882188.db2.gz JJRKTBKLZAVXEW-CYBMUJFWSA-N 1 1 329.469 4.087 20 30 EIEDMO C[C@@H]1CC([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168014936 1043937019 /nfs/dbraw/zinc/93/70/19/1043937019.db2.gz NSWAWDDLTRDJCU-MLYOOKFZSA-N 1 1 325.500 4.100 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1OC ZINC000675103093 1044020552 /nfs/dbraw/zinc/02/05/52/1044020552.db2.gz IRIHKIHIGDEMGG-MRXNPFEDSA-N 1 1 345.826 4.137 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000733326952 1044189387 /nfs/dbraw/zinc/18/93/87/1044189387.db2.gz IUCASHZKDLMCOD-QFIPXVFZSA-N 1 1 346.405 4.112 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733332024 1044197039 /nfs/dbraw/zinc/19/70/39/1044197039.db2.gz WNFPOIFWLJHAOA-UHFFFAOYSA-N 1 1 337.448 4.060 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000390330050 1044214867 /nfs/dbraw/zinc/21/48/67/1044214867.db2.gz SFOHBAGULSFXOS-CYBMUJFWSA-N 1 1 325.378 4.253 20 30 EIEDMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000174279332 1044244657 /nfs/dbraw/zinc/24/46/57/1044244657.db2.gz KAUBAUGZGGGXMK-UHFFFAOYSA-N 1 1 349.390 4.027 20 30 EIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000733610514 1044267892 /nfs/dbraw/zinc/26/78/92/1044267892.db2.gz LBZPTUDTYCLQTL-UHFFFAOYSA-N 1 1 349.478 4.211 20 30 EIEDMO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc(F)c1F ZINC001143591947 1044382388 /nfs/dbraw/zinc/38/23/88/1044382388.db2.gz NJZLNXNQKZGZKI-UHFFFAOYSA-N 1 1 326.390 4.331 20 30 EIEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000187217091 1044393756 /nfs/dbraw/zinc/39/37/56/1044393756.db2.gz FJJLRRHCUSTJFJ-UHFFFAOYSA-N 1 1 347.393 4.058 20 30 EIEDMO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096767 1044473483 /nfs/dbraw/zinc/47/34/83/1044473483.db2.gz RGVXVHPGNXWPQN-SPMKTWQFSA-N 1 1 345.446 4.024 20 30 EIEDMO CCC(CC)C[N@@H+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734149361 1044496619 /nfs/dbraw/zinc/49/66/19/1044496619.db2.gz JEOWVLSTCXKJDA-HNNXBMFYSA-N 1 1 343.496 4.231 20 30 EIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487434194 1044552884 /nfs/dbraw/zinc/55/28/84/1044552884.db2.gz UHFPANGTTGOUGN-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO Cc1ccccc1-n1nccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000474111015 1044553046 /nfs/dbraw/zinc/55/30/46/1044553046.db2.gz RPEJVEHUGYOJSQ-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO Cc1ccccc1-n1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000474111015 1044553066 /nfs/dbraw/zinc/55/30/66/1044553066.db2.gz RPEJVEHUGYOJSQ-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)C1CCC(OC)CC1 ZINC000734475291 1044585214 /nfs/dbraw/zinc/58/52/14/1044585214.db2.gz MURCVQPAEIDNMK-UHFFFAOYSA-N 1 1 345.512 4.161 20 30 EIEDMO Cc1[nH+]c(C=NNCc2ccc(Cl)cc2Cl)c2ccccn12 ZINC000914696806 1044673773 /nfs/dbraw/zinc/67/37/73/1044673773.db2.gz OZBAZTOUZUOMAS-UHFFFAOYSA-N 1 1 333.222 4.073 20 30 EIEDMO CC[C@@H](C/N=C/c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701389 1044677061 /nfs/dbraw/zinc/67/70/61/1044677061.db2.gz HKEDIRXLMFAQAK-OZNZCJATSA-N 1 1 342.870 4.301 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC)c(OC)c1Cl ZINC000495185240 1044762898 /nfs/dbraw/zinc/76/28/98/1044762898.db2.gz TZYNJSKGYKAHGG-UHFFFAOYSA-N 1 1 335.831 4.181 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(OC)c1Cl ZINC000495185240 1044762917 /nfs/dbraw/zinc/76/29/17/1044762917.db2.gz TZYNJSKGYKAHGG-UHFFFAOYSA-N 1 1 335.831 4.181 20 30 EIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCc2ccccc21 ZINC000735306538 1044784925 /nfs/dbraw/zinc/78/49/25/1044784925.db2.gz PAMQDTQEWSSBHA-GOSISDBHSA-N 1 1 326.827 4.362 20 30 EIEDMO Cc1ccccc1OCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305761 1044788396 /nfs/dbraw/zinc/78/83/96/1044788396.db2.gz DNYNVKGTQHOJJT-UHFFFAOYSA-N 1 1 344.842 4.062 20 30 EIEDMO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCCO1 ZINC000735309418 1044797294 /nfs/dbraw/zinc/79/72/94/1044797294.db2.gz NHSWXZZWJOLSPU-KRWDZBQOSA-N 1 1 336.863 4.023 20 30 EIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310758 1044797624 /nfs/dbraw/zinc/79/76/24/1044797624.db2.gz FCIAULMCMZZNJV-MRXNPFEDSA-N 1 1 338.904 4.350 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nc2ccccc12 ZINC000124144391 1044829838 /nfs/dbraw/zinc/82/98/38/1044829838.db2.gz RTJCVFOEOLYMNX-UHFFFAOYSA-N 1 1 345.446 4.064 20 30 EIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093870735 1044858526 /nfs/dbraw/zinc/85/85/26/1044858526.db2.gz BBHXMWICXOSLQM-KBXCAEBGSA-N 1 1 334.423 4.081 20 30 EIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093870735 1044858529 /nfs/dbraw/zinc/85/85/29/1044858529.db2.gz BBHXMWICXOSLQM-KBXCAEBGSA-N 1 1 334.423 4.081 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)cc2c1OCC2 ZINC000922985631 1044882594 /nfs/dbraw/zinc/88/25/94/1044882594.db2.gz FLTDHDBLIUHOLA-LLVKDONJSA-N 1 1 330.790 4.136 20 30 EIEDMO C(#Cc1ccccc1)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429280966 1044887934 /nfs/dbraw/zinc/88/79/34/1044887934.db2.gz AHYFTNZRIPORCC-UHFFFAOYSA-N 1 1 326.443 4.178 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800176 1044893582 /nfs/dbraw/zinc/89/35/82/1044893582.db2.gz GTOHOMTYHXEBMS-KSFYIVLOSA-N 1 1 346.430 4.119 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000543620814 1044963879 /nfs/dbraw/zinc/96/38/79/1044963879.db2.gz OJGKMYPMIOAOCJ-CYBMUJFWSA-N 1 1 332.806 4.307 20 30 EIEDMO CO[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000282539644 1045016271 /nfs/dbraw/zinc/01/62/71/1045016271.db2.gz ZPMVWHWXBOIBAX-KNQAVFIVSA-N 1 1 348.490 4.386 20 30 EIEDMO C=C(C)CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000509375126 1045058251 /nfs/dbraw/zinc/05/82/51/1045058251.db2.gz VFMWHYKDXPIFKP-UHFFFAOYSA-N 1 1 328.378 4.321 20 30 EIEDMO C=CC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)CC1CCCCC1 ZINC000466713154 1045076684 /nfs/dbraw/zinc/07/66/84/1045076684.db2.gz LPLBZYBKSKYDIZ-MRXNPFEDSA-N 1 1 335.492 4.372 20 30 EIEDMO C=CC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)CC1CCCCC1 ZINC000466713154 1045076696 /nfs/dbraw/zinc/07/66/96/1045076696.db2.gz LPLBZYBKSKYDIZ-MRXNPFEDSA-N 1 1 335.492 4.372 20 30 EIEDMO CC(C)[N@@H+](CCCSCC#N)Cc1cccc(Br)c1 ZINC000466740918 1045160698 /nfs/dbraw/zinc/16/06/98/1045160698.db2.gz JJDCZOWMKRFGCD-UHFFFAOYSA-N 1 1 341.318 4.306 20 30 EIEDMO N#CCSCCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000466742344 1045171292 /nfs/dbraw/zinc/17/12/92/1045171292.db2.gz XSBJXQRRQRCQAR-UHFFFAOYSA-N 1 1 328.456 4.475 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000027235941 1045171825 /nfs/dbraw/zinc/17/18/25/1045171825.db2.gz RWFXMNVQGNIHAK-UHFFFAOYSA-N 1 1 334.419 4.232 20 30 EIEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739912400 1045174190 /nfs/dbraw/zinc/17/41/90/1045174190.db2.gz JSSXXIARYRYCPY-FPOVZHCZSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739912400 1045174194 /nfs/dbraw/zinc/17/41/94/1045174194.db2.gz JSSXXIARYRYCPY-FPOVZHCZSA-N 1 1 348.446 4.042 20 30 EIEDMO 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CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247335263 1045846330 /nfs/dbraw/zinc/84/63/30/1045846330.db2.gz XDVBIQSFUFMGIA-PKOBYXMFSA-N 1 1 338.451 4.169 20 30 EIEDMO C[N@@H+](CCc1ccccc1F)Cc1cccc(OCCCC#N)c1 ZINC000769029691 1045871726 /nfs/dbraw/zinc/87/17/26/1045871726.db2.gz NNCCQALLQZDEJO-UHFFFAOYSA-N 1 1 326.415 4.183 20 30 EIEDMO C#CC[N@H+](CC)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000769107247 1045880071 /nfs/dbraw/zinc/88/00/71/1045880071.db2.gz UYWJLDKRORSOSV-UHFFFAOYSA-N 1 1 326.827 4.047 20 30 EIEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000769112191 1045881876 /nfs/dbraw/zinc/88/18/76/1045881876.db2.gz ZCWZBULPENSMDM-UHFFFAOYSA-N 1 1 335.270 4.028 20 30 EIEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000769112191 1045881863 /nfs/dbraw/zinc/88/18/63/1045881863.db2.gz ZCWZBULPENSMDM-UHFFFAOYSA-N 1 1 335.270 4.028 20 30 EIEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248836421 1045885944 /nfs/dbraw/zinc/88/59/44/1045885944.db2.gz 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C=CC[N@@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000771641250 1046468405 /nfs/dbraw/zinc/46/84/05/1046468405.db2.gz USOHRPYNYUODGU-UHFFFAOYSA-N 1 1 337.254 4.168 20 30 EIEDMO C=CC[N@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000771641250 1046468415 /nfs/dbraw/zinc/46/84/15/1046468415.db2.gz USOHRPYNYUODGU-UHFFFAOYSA-N 1 1 337.254 4.168 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)cc1 ZINC000508774243 1046562655 /nfs/dbraw/zinc/56/26/55/1046562655.db2.gz LNYAVKKUPNQQMR-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)cc1 ZINC000508774243 1046562667 /nfs/dbraw/zinc/56/26/67/1046562667.db2.gz LNYAVKKUPNQQMR-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000772174729 1046587028 /nfs/dbraw/zinc/58/70/28/1046587028.db2.gz LLOHTFOVOARKMQ-LIRRHRJNSA-N 1 1 328.843 4.328 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cc1F ZINC000917074923 1046639166 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C=CCOc1cccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000536698455 1046693503 /nfs/dbraw/zinc/69/35/03/1046693503.db2.gz ZSWWAYFGUYUCSD-KXBFYZLASA-N 1 1 329.465 4.275 20 30 EIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697114 1046693568 /nfs/dbraw/zinc/69/35/68/1046693568.db2.gz JYRLHYMOEULTEY-JOCHJYFZSA-N 1 1 344.462 4.051 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000536708598 1046718286 /nfs/dbraw/zinc/71/82/86/1046718286.db2.gz IOOBOCBLOJHZIY-AWEZNQCLSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000536708598 1046718300 /nfs/dbraw/zinc/71/83/00/1046718300.db2.gz IOOBOCBLOJHZIY-AWEZNQCLSA-N 1 1 332.856 4.317 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc1OC ZINC000536710109 1046721015 /nfs/dbraw/zinc/72/10/15/1046721015.db2.gz JSJSKQSMUGNKIA-LJQANCHMSA-N 1 1 340.467 4.326 20 30 EIEDMO C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(C)(C)C#N ZINC000459583784 1046779316 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COc1cc(F)c([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000537095904 1046943235 /nfs/dbraw/zinc/94/32/35/1046943235.db2.gz WQZARWXTQKQRSD-CYBMUJFWSA-N 1 1 347.817 4.199 20 30 EIEDMO C#CCC1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCCCC1 ZINC000788159777 1047125782 /nfs/dbraw/zinc/12/57/82/1047125782.db2.gz UHYPUVUTRFMIBM-UHFFFAOYSA-N 1 1 340.511 4.117 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000917831645 1047175346 /nfs/dbraw/zinc/17/53/46/1047175346.db2.gz KFVRDTRVWCZLGV-HXUWFJFHSA-N 1 1 338.426 4.173 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(Br)ccc1F ZINC000788560909 1047226401 /nfs/dbraw/zinc/22/64/01/1047226401.db2.gz CIAPCOASDZOXOM-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO C[C@@H](CCC#N)CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897567969 1047262802 /nfs/dbraw/zinc/26/28/02/1047262802.db2.gz GGRAJXZURSESDK-IBGZPJMESA-N 1 1 325.500 4.013 20 30 EIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000609280811 1047479952 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COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1OC(F)(F)F ZINC001143873527 1048260618 /nfs/dbraw/zinc/26/06/18/1048260618.db2.gz SSUOFXAPUZCVNF-UHFFFAOYSA-N 1 1 342.361 4.252 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171117012 1048286000 /nfs/dbraw/zinc/28/60/00/1048286000.db2.gz VGFZYVQMOAXWTA-IBGZPJMESA-N 1 1 325.843 4.008 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171117012 1048286017 /nfs/dbraw/zinc/28/60/17/1048286017.db2.gz VGFZYVQMOAXWTA-IBGZPJMESA-N 1 1 325.843 4.008 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1cccc2ccccc21 ZINC000815028167 1048308170 /nfs/dbraw/zinc/30/81/70/1048308170.db2.gz SMRUMXLZWLQZQW-QHCPKHFHSA-N 1 1 342.442 4.433 20 30 EIEDMO C=CC[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001144020899 1048370178 /nfs/dbraw/zinc/37/01/78/1048370178.db2.gz JFBZVRVVDPLPIL-QFBILLFUSA-N 1 1 334.463 4.415 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144079470 1048409780 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C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cn1 ZINC001144262593 1048542080 /nfs/dbraw/zinc/54/20/80/1048542080.db2.gz CKCXTJXVXVFICD-QGZVFWFLSA-N 1 1 343.430 4.422 20 30 EIEDMO CCOc1cccc(/C=N\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000920174137 1048571815 /nfs/dbraw/zinc/57/18/15/1048571815.db2.gz KIOLQSIBANIVNC-LMZUZTJHSA-N 1 1 338.451 4.045 20 30 EIEDMO C[N@H+](CC/N=C/c1cc(Cl)cc(Cl)c1O)Cc1ccccc1 ZINC000920174074 1048572617 /nfs/dbraw/zinc/57/26/17/1048572617.db2.gz JULLTMCWZNQPGU-RGVLZGJSSA-N 1 1 337.250 4.250 20 30 EIEDMO C[N@@H+](CC/N=C/c1cc(Cl)cc(Cl)c1O)Cc1ccccc1 ZINC000920174074 1048572642 /nfs/dbraw/zinc/57/26/42/1048572642.db2.gz JULLTMCWZNQPGU-RGVLZGJSSA-N 1 1 337.250 4.250 20 30 EIEDMO C#CC[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC001144530996 1048717205 /nfs/dbraw/zinc/71/72/05/1048717205.db2.gz FBGBWAGKSYTODI-QGZVFWFLSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[N@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC001144530996 1048717223 /nfs/dbraw/zinc/71/72/23/1048717223.db2.gz FBGBWAGKSYTODI-QGZVFWFLSA-N 1 1 330.353 4.223 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)cc1 ZINC001144572464 1048732652 /nfs/dbraw/zinc/73/26/52/1048732652.db2.gz ZMLVJQYMCOWROH-HJOGWXRNSA-N 1 1 343.470 4.365 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001171202325 1048770817 /nfs/dbraw/zinc/77/08/17/1048770817.db2.gz BKZNIQMMUMRMBP-FDDCHVKYSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001171204468 1048787521 /nfs/dbraw/zinc/78/75/21/1048787521.db2.gz YERSISYPQTZGEK-CQSZACIVSA-N 1 1 347.384 4.078 20 30 EIEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001171222809 1048857193 /nfs/dbraw/zinc/85/71/93/1048857193.db2.gz JIZADZWKYNWPLA-AVRDEDQJSA-N 1 1 334.463 4.045 20 30 EIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130741790 1048865912 /nfs/dbraw/zinc/86/59/12/1048865912.db2.gz MKJSSTMRGYVVJO-UHFFFAOYSA-N 1 1 344.462 4.052 20 30 EIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130741790 1048865916 /nfs/dbraw/zinc/86/59/16/1048865916.db2.gz MKJSSTMRGYVVJO-UHFFFAOYSA-N 1 1 344.462 4.052 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230717 1048870094 /nfs/dbraw/zinc/87/00/94/1048870094.db2.gz XSDIQXUMSKBWTN-XMSQKQJNSA-N 1 1 348.490 4.453 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001171232448 1048878270 /nfs/dbraw/zinc/87/82/70/1048878270.db2.gz SKXJIXPQAPSSEX-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171232448 1048878271 /nfs/dbraw/zinc/87/82/71/1048878271.db2.gz SKXJIXPQAPSSEX-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171232448 1048878274 /nfs/dbraw/zinc/87/82/74/1048878274.db2.gz SKXJIXPQAPSSEX-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO O[C@H](C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660873 1048899477 /nfs/dbraw/zinc/89/94/77/1048899477.db2.gz WGISLZMUVFTUKR-WOJBJXKFSA-N 1 1 341.426 4.139 20 30 EIEDMO CCCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC001171259107 1048965774 /nfs/dbraw/zinc/96/57/74/1048965774.db2.gz MUEPTXQGENOAIH-HXUWFJFHSA-N 1 1 328.500 4.006 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000847041143 1048987071 /nfs/dbraw/zinc/98/70/71/1048987071.db2.gz ROCXQKZRQRCUKV-UHFFFAOYSA-N 1 1 346.409 4.020 20 30 EIEDMO C=C1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC001136014227 1049046259 /nfs/dbraw/zinc/04/62/59/1049046259.db2.gz FPYQCNVPQKDNLY-UHFFFAOYSA-N 1 1 346.902 4.121 20 30 EIEDMO C=C1CCC(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC001136014227 1049046267 /nfs/dbraw/zinc/04/62/67/1049046267.db2.gz FPYQCNVPQKDNLY-UHFFFAOYSA-N 1 1 346.902 4.121 20 30 EIEDMO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001146833926 1049063174 /nfs/dbraw/zinc/06/31/74/1049063174.db2.gz SOIZJLHJXWHENQ-JRGCBEDISA-N 1 1 340.511 4.006 20 30 EIEDMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135101104 1049069587 /nfs/dbraw/zinc/06/95/87/1049069587.db2.gz AWCWAXFIOMUXSH-UHFFFAOYSA-N 1 1 349.478 4.121 20 30 EIEDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135101104 1049069603 /nfs/dbraw/zinc/06/96/03/1049069603.db2.gz AWCWAXFIOMUXSH-UHFFFAOYSA-N 1 1 349.478 4.121 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000135135926 1049074031 /nfs/dbraw/zinc/07/40/31/1049074031.db2.gz ILFMXQFXCBEQIR-UHFFFAOYSA-N 1 1 333.479 4.200 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1ccc(Cl)cc1 ZINC000811516804 1049100960 /nfs/dbraw/zinc/10/09/60/1049100960.db2.gz VJXRWZSIGFGUFU-QGZVFWFLSA-N 1 1 329.827 4.130 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(Cl)cc1 ZINC000811517256 1049101473 /nfs/dbraw/zinc/10/14/73/1049101473.db2.gz MMCJPTSPNBHNDV-SFHVURJKSA-N 1 1 341.838 4.449 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811516257 1049130051 /nfs/dbraw/zinc/13/00/51/1049130051.db2.gz HZDHZVNBJHWLGX-INIZCTEOSA-N 1 1 348.229 4.229 20 30 EIEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541443 1049141896 /nfs/dbraw/zinc/14/18/96/1049141896.db2.gz PFIPOFJRCLUPMZ-QGZVFWFLSA-N 1 1 326.827 4.080 20 30 EIEDMO COc1cc(C[NH2+][C@@H](C)c2ccccc2Br)ccc1C#N ZINC000234938746 1049236816 /nfs/dbraw/zinc/23/68/16/1049236816.db2.gz WWMQEVCCTWLVEM-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO Cc1cc(CNc2nc3ccccc3cc2C#N)cc(N2CCCC2)[nH+]1 ZINC000811853438 1049300958 /nfs/dbraw/zinc/30/09/58/1049300958.db2.gz ARVLKOYOXQIBOO-UHFFFAOYSA-N 1 1 343.434 4.022 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000609800928 1049331038 /nfs/dbraw/zinc/33/10/38/1049331038.db2.gz WODUVUAZZISEQN-HXUWFJFHSA-N 1 1 333.460 4.101 20 30 EIEDMO N#Cc1c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000609800928 1049331052 /nfs/dbraw/zinc/33/10/52/1049331052.db2.gz WODUVUAZZISEQN-HXUWFJFHSA-N 1 1 333.460 4.101 20 30 EIEDMO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823560 1049343753 /nfs/dbraw/zinc/34/37/53/1049343753.db2.gz QHRYNNIMXMZNJB-ROUUACIJSA-N 1 1 349.478 4.007 20 30 EIEDMO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823561 1049344948 /nfs/dbraw/zinc/34/49/48/1049344948.db2.gz QHRYNNIMXMZNJB-ZWKOTPCHSA-N 1 1 349.478 4.007 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252739 1049357991 /nfs/dbraw/zinc/35/79/91/1049357991.db2.gz ORZDGDAQQKCDAR-HDICACEKSA-N 1 1 342.527 4.383 20 30 EIEDMO C[C@@H](NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccncc1 ZINC000819817216 1049374601 /nfs/dbraw/zinc/37/46/01/1049374601.db2.gz YIUQVFRUCIRXFS-OQHSHRKDSA-N 1 1 336.483 4.163 20 30 EIEDMO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1cccc(N2CCOCC2)c1 ZINC000812435070 1049466750 /nfs/dbraw/zinc/46/67/50/1049466750.db2.gz ZLQNVZFEQSKHKH-UHFFFAOYSA-N 1 1 337.467 4.285 20 30 EIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001171368205 1049519728 /nfs/dbraw/zinc/51/97/28/1049519728.db2.gz CKNJRAXXGGPVIP-LLVKDONJSA-N 1 1 337.345 4.421 20 30 EIEDMO C#CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000773113240 1049591555 /nfs/dbraw/zinc/59/15/55/1049591555.db2.gz CRBXOBGNABDUIU-DYESRHJHSA-N 1 1 344.462 4.299 20 30 EIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccn1 ZINC001171399261 1049615680 /nfs/dbraw/zinc/61/56/80/1049615680.db2.gz CHRDSBDVVKCXAF-UHFFFAOYSA-N 1 1 333.357 4.037 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853862 1049617356 /nfs/dbraw/zinc/61/73/56/1049617356.db2.gz TWHLNGMQILVXHC-IFXJQAMLSA-N 1 1 328.843 4.156 20 30 EIEDMO N#CCc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716731507 1049702905 /nfs/dbraw/zinc/70/29/05/1049702905.db2.gz KKBDTSMHLRUCGD-BVSLBCMMSA-N 1 1 331.463 4.218 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2cccs2)n1 ZINC000179679102 1049710634 /nfs/dbraw/zinc/71/06/34/1049710634.db2.gz CVBZQVAIUWMURR-UHFFFAOYSA-N 1 1 348.475 4.185 20 30 EIEDMO Cc1cc([NH+]2CCCCC2)ccc1NCCOc1ccc(C#N)cc1 ZINC001171484761 1049716552 /nfs/dbraw/zinc/71/65/52/1049716552.db2.gz QZBVYHYSFREIFH-UHFFFAOYSA-N 1 1 335.451 4.348 20 30 EIEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C(=O)OC(C)(C)C ZINC001171525126 1049749087 /nfs/dbraw/zinc/74/90/87/1049749087.db2.gz WVNWZSZEASJUEM-CZUORRHYSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C(=O)OC(C)(C)C ZINC001171525126 1049749092 /nfs/dbraw/zinc/74/90/92/1049749092.db2.gz WVNWZSZEASJUEM-CZUORRHYSA-N 1 1 348.874 4.011 20 30 EIEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171602887 1049764802 /nfs/dbraw/zinc/76/48/02/1049764802.db2.gz AFIGXWIRBHOSJA-HOTGVXAUSA-N 1 1 337.508 4.036 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1 ZINC001171615491 1049766537 /nfs/dbraw/zinc/76/65/37/1049766537.db2.gz WTCDKXMODDDRCO-FGTMMUONSA-N 1 1 348.531 4.146 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC001171847762 1049813699 /nfs/dbraw/zinc/81/36/99/1049813699.db2.gz RNSKKEBKZFDZTH-ZDUSSCGKSA-N 1 1 342.252 4.255 20 30 EIEDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001171882107 1049814907 /nfs/dbraw/zinc/81/49/07/1049814907.db2.gz IDOMCCMEAQEXHI-UHFFFAOYSA-N 1 1 327.472 4.035 20 30 EIEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001171917018 1049819276 /nfs/dbraw/zinc/81/92/76/1049819276.db2.gz SCGWQWWHUNQNML-CQSZACIVSA-N 1 1 344.503 4.151 20 30 EIEDMO CC(C)C[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978881 1049838366 /nfs/dbraw/zinc/83/83/66/1049838366.db2.gz MNNCVAHNOBVRKJ-TZIWHRDSSA-N 1 1 327.516 4.348 20 30 EIEDMO CCC[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071515 1049845575 /nfs/dbraw/zinc/84/55/75/1049845575.db2.gz XGPCYWWDTDBPJF-MXEMCNAFSA-N 1 1 325.500 4.244 20 30 EIEDMO N#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172064649 1049851408 /nfs/dbraw/zinc/85/14/08/1049851408.db2.gz IMKUTTXHWIXQPT-WKCHPHFGSA-N 1 1 337.511 4.388 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172312189 1049875294 /nfs/dbraw/zinc/87/52/94/1049875294.db2.gz FOUNSCTWNDOZDM-YWZLYKJASA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172312189 1049875296 /nfs/dbraw/zinc/87/52/96/1049875296.db2.gz FOUNSCTWNDOZDM-YWZLYKJASA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172318735 1049876489 /nfs/dbraw/zinc/87/64/89/1049876489.db2.gz HYMGMXXSUWZUMK-OXJNMPFZSA-N 1 1 337.492 4.141 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172319367 1049877214 /nfs/dbraw/zinc/87/72/14/1049877214.db2.gz NLDIXOHZWCQAGZ-YZZKKUAISA-N 1 1 348.490 4.495 20 30 EIEDMO CC[C@H](C)OCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172322457 1049878241 /nfs/dbraw/zinc/87/82/41/1049878241.db2.gz UTEVDMHFQKWRSP-IUCAKERBSA-N 1 1 327.284 4.003 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001172357640 1049893929 /nfs/dbraw/zinc/89/39/29/1049893929.db2.gz LFCOTNMBJQOOCP-RBUKOAKNSA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491861 1049921431 /nfs/dbraw/zinc/92/14/31/1049921431.db2.gz KEGIOHABIQSAFK-CQSZACIVSA-N 1 1 339.405 4.038 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496316 1049921811 /nfs/dbraw/zinc/92/18/11/1049921811.db2.gz LYFDZOMGWDACOJ-YLJYHZDGSA-N 1 1 349.519 4.324 20 30 EIEDMO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172491881 1049921816 /nfs/dbraw/zinc/92/18/16/1049921816.db2.gz HKHPQUSMZMXEDB-ZWKOTPCHSA-N 1 1 327.472 4.179 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496214 1049922028 /nfs/dbraw/zinc/92/20/28/1049922028.db2.gz KVWJJZLOUWANDZ-PXNSSMCTSA-N 1 1 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CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001181999129 1051369345 /nfs/dbraw/zinc/36/93/45/1051369345.db2.gz TYAJCTLQJLZWRJ-FQEVSTJZSA-N 1 1 333.435 4.038 20 30 EIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245846 1051409761 /nfs/dbraw/zinc/40/97/61/1051409761.db2.gz VCRYLSBUUCRZBE-SCLBCKFNSA-N 1 1 339.370 4.189 20 30 EIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245846 1051409763 /nfs/dbraw/zinc/40/97/63/1051409763.db2.gz VCRYLSBUUCRZBE-SCLBCKFNSA-N 1 1 339.370 4.189 20 30 EIEDMO CC(C)[C@H](CO)[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001191307079 1051421348 /nfs/dbraw/zinc/42/13/48/1051421348.db2.gz UNNNERTUKFBADB-FQEVSTJZSA-N 1 1 328.500 4.370 20 30 EIEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001191426596 1051455571 /nfs/dbraw/zinc/45/55/71/1051455571.db2.gz HTUBCPABRXBMQP-FQEVSTJZSA-N 1 1 325.500 4.057 20 30 EIEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC001191426596 1051455581 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30 EIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001182532564 1051633497 /nfs/dbraw/zinc/63/34/97/1051633497.db2.gz FWAYMGUPNWTFCQ-HKUYNNGSSA-N 1 1 325.500 4.272 20 30 EIEDMO C=CCC[C@H](O)C[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542630643 1051645683 /nfs/dbraw/zinc/64/56/83/1051645683.db2.gz HVAYZJHXUHJEEA-KRWDZBQOSA-N 1 1 347.503 4.193 20 30 EIEDMO C#C[C@H]1CCC[N@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603941 1051656878 /nfs/dbraw/zinc/65/68/78/1051656878.db2.gz BUMFILOFUQZLEH-DLBZAZTESA-N 1 1 336.520 4.051 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001192213413 1051657914 /nfs/dbraw/zinc/65/79/14/1051657914.db2.gz IZMKJTOCYDVQQD-LJQANCHMSA-N 1 1 349.434 4.454 20 30 EIEDMO CCc1cccc2cc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)oc21 ZINC001182763346 1051685660 /nfs/dbraw/zinc/68/56/60/1051685660.db2.gz CYNHYJWTFGVVOX-FQEVSTJZSA-N 1 1 334.419 4.032 20 30 EIEDMO C[N@H+](Cc1ccc(F)c2ccccc12)C[C@H](O)c1cccc(C#N)c1 ZINC001182765832 1051704912 /nfs/dbraw/zinc/70/49/12/1051704912.db2.gz XCBWEWACMXJVMD-NRFANRHFSA-N 1 1 334.394 4.016 20 30 EIEDMO Cn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001182772554 1051709158 /nfs/dbraw/zinc/70/91/58/1051709158.db2.gz IAAZPUXHOVZGOW-FQEVSTJZSA-N 1 1 348.494 4.361 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1F ZINC000774559464 1051732100 /nfs/dbraw/zinc/73/21/00/1051732100.db2.gz SGJRPBUKCSVTNT-UHFFFAOYSA-N 1 1 325.431 4.174 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCOc2ccc(F)cc2Cl)C2CC2)cc1 ZINC001192489134 1051756579 /nfs/dbraw/zinc/75/65/79/1051756579.db2.gz BKYRMLZFYJPRLT-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO C=C[C@H](CC(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000158800545 1051788811 /nfs/dbraw/zinc/78/88/11/1051788811.db2.gz KTUZQGJLBATITI-HXUWFJFHSA-N 1 1 336.479 4.114 20 30 EIEDMO Cc1cc(C#N)c(Nc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC001175862464 1051823945 /nfs/dbraw/zinc/82/39/45/1051823945.db2.gz CFDHYJBULYCBGA-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1nonc1C)c1ccc(C(F)(F)F)cc1 ZINC000775551877 1051824546 /nfs/dbraw/zinc/82/45/46/1051824546.db2.gz BRHPMZWJXNYYRJ-CQSZACIVSA-N 1 1 325.334 4.194 20 30 EIEDMO C=CCC1(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCCC1 ZINC001183460077 1051847201 /nfs/dbraw/zinc/84/72/01/1051847201.db2.gz JRVSSAMWXZLXKJ-HXUWFJFHSA-N 1 1 340.511 4.362 20 30 EIEDMO COc1cccc(-c2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)co2)c1 ZINC001176053529 1051896839 /nfs/dbraw/zinc/89/68/39/1051896839.db2.gz XJIQXNARFOZGCP-CQSZACIVSA-N 1 1 333.391 4.073 20 30 EIEDMO Cc1ccc(C[N@@H+](CCCC(C)C)C[C@H](O)CC2(C#N)CCC2)o1 ZINC001176135714 1051905544 /nfs/dbraw/zinc/90/55/44/1051905544.db2.gz CIUCDNFGERDCQT-GOSISDBHSA-N 1 1 332.488 4.271 20 30 EIEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC001193615775 1051955381 /nfs/dbraw/zinc/95/53/81/1051955381.db2.gz FKTORQPKTYZJSE-NRFANRHFSA-N 1 1 337.850 4.213 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC001193615775 1051955385 /nfs/dbraw/zinc/95/53/85/1051955385.db2.gz FKTORQPKTYZJSE-NRFANRHFSA-N 1 1 337.850 4.213 20 30 EIEDMO C#CC[N@H+](CCCc1ccc(Br)cc1OC)C(C)(C)C ZINC001176280461 1051975132 /nfs/dbraw/zinc/97/51/32/1051975132.db2.gz BXUDWQYEWQUWTN-UHFFFAOYSA-N 1 1 338.289 4.124 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001193941726 1052042870 /nfs/dbraw/zinc/04/28/70/1052042870.db2.gz CFAGMSSHLWRGNI-GOSISDBHSA-N 1 1 336.435 4.458 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001193941726 1052042883 /nfs/dbraw/zinc/04/28/83/1052042883.db2.gz CFAGMSSHLWRGNI-GOSISDBHSA-N 1 1 336.435 4.458 20 30 EIEDMO CC(C)(C)OC(=O)NCCC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC001194007732 1052045959 /nfs/dbraw/zinc/04/59/59/1052045959.db2.gz FDUDXBKPOTZPHI-UHFFFAOYSA-N 1 1 345.487 4.097 20 30 EIEDMO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC001194116694 1052077417 /nfs/dbraw/zinc/07/74/17/1052077417.db2.gz VBXBBUJALGZCNU-KRWDZBQOSA-N 1 1 337.508 4.039 20 30 EIEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000774780382 1052099864 /nfs/dbraw/zinc/09/98/64/1052099864.db2.gz NOZUXJMJIFLIHA-CYBMUJFWSA-N 1 1 330.815 4.102 20 30 EIEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)cc1Cl ZINC001176523885 1052111028 /nfs/dbraw/zinc/11/10/28/1052111028.db2.gz XSERTSOXEZMIQQ-UHFFFAOYSA-N 1 1 335.835 4.452 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001184928074 1052132428 /nfs/dbraw/zinc/13/24/28/1052132428.db2.gz SHDOBPULHWTULQ-LZWOXQAQSA-N 1 1 340.496 4.010 20 30 EIEDMO C[C@]12C[N@@H+](Cc3cc(C#N)ccc3Br)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001176618077 1052142226 /nfs/dbraw/zinc/14/22/26/1052142226.db2.gz BVXIYTGRCZTZPQ-JXSMBQFASA-N 1 1 345.284 4.189 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771612 1052194880 /nfs/dbraw/zinc/19/48/80/1052194880.db2.gz NZPVXDPFKGSLIR-KRWDZBQOSA-N 1 1 339.458 4.431 20 30 EIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961149 1052683442 /nfs/dbraw/zinc/68/34/42/1052683442.db2.gz CGZMKHVAPQAYNJ-NZQKXSOJSA-N 1 1 348.490 4.280 20 30 EIEDMO Cc1csc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000184264514 1052996244 /nfs/dbraw/zinc/99/62/44/1052996244.db2.gz XQZBHMREMMZFKU-LBPRGKRZSA-N 1 1 340.370 4.052 20 30 EIEDMO N#CCCCOc1cccc(N[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000194403422 1053040532 /nfs/dbraw/zinc/04/05/32/1053040532.db2.gz SUQACOGSZIIVDI-NRFANRHFSA-N 1 1 349.478 4.098 20 30 EIEDMO CN(CCC[N@@H+](C)CCC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC001195181501 1053299845 /nfs/dbraw/zinc/29/98/45/1053299845.db2.gz XZHKDKVNSSEALN-UHFFFAOYSA-N 1 1 337.508 4.039 20 30 EIEDMO CCC[N@@H+](CCOCCC#N)[C@H](C)c1ccccc1Br ZINC000338929585 1053339351 /nfs/dbraw/zinc/33/93/51/1053339351.db2.gz QBXRGCNMXPZJKX-CQSZACIVSA-N 1 1 339.277 4.152 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/COc3cc(F)ccc3C2=O)c2ccccn21 ZINC000794728239 1053342586 /nfs/dbraw/zinc/34/25/86/1053342586.db2.gz NDZAEBXADAONKY-LCYFTJDESA-N 1 1 336.366 4.256 20 30 EIEDMO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC001195249952 1053345474 /nfs/dbraw/zinc/34/54/74/1053345474.db2.gz HYRSTVLDCPCOPA-HNNXBMFYSA-N 1 1 336.435 4.301 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001195393245 1053400003 /nfs/dbraw/zinc/40/00/03/1053400003.db2.gz CAHXJNVSWTXQSY-LJQANCHMSA-N 1 1 342.483 4.343 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1 ZINC001195557207 1053427183 /nfs/dbraw/zinc/42/71/83/1053427183.db2.gz BBECHVIBWCRFOJ-GOSISDBHSA-N 1 1 348.446 4.071 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1 ZINC001195557207 1053427192 /nfs/dbraw/zinc/42/71/92/1053427192.db2.gz BBECHVIBWCRFOJ-GOSISDBHSA-N 1 1 348.446 4.071 20 30 EIEDMO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC001195789624 1053488481 /nfs/dbraw/zinc/48/84/81/1053488481.db2.gz MWFSBGZNYQXLTN-LADRWXRNSA-N 1 1 342.483 4.343 20 30 EIEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCC(C(F)(F)F)CC3)sc2C1 ZINC001195834428 1053500843 /nfs/dbraw/zinc/50/08/43/1053500843.db2.gz KTIVQUFDESCNGJ-SNVBAGLBSA-N 1 1 341.402 4.266 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCC(C(F)(F)F)CC3)sc2C1 ZINC001195834428 1053500856 /nfs/dbraw/zinc/50/08/56/1053500856.db2.gz KTIVQUFDESCNGJ-SNVBAGLBSA-N 1 1 341.402 4.266 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Cl)c1ccccc1 ZINC000865513596 1053533296 /nfs/dbraw/zinc/53/32/96/1053533296.db2.gz ZVHJQBWUOUWQHM-KRWDZBQOSA-N 1 1 329.827 4.211 20 30 EIEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000852102329 1053552339 /nfs/dbraw/zinc/55/23/39/1053552339.db2.gz LJFGAWXCSMMENM-QLJPJBMISA-N 1 1 338.238 4.496 20 30 EIEDMO CC[N@@H+](CCC(=O)OCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000776578740 1053564133 /nfs/dbraw/zinc/56/41/33/1053564133.db2.gz IHXOBQFHGMWZKW-QGZVFWFLSA-N 1 1 336.435 4.075 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331542 1053571583 /nfs/dbraw/zinc/57/15/83/1053571583.db2.gz APUJROCFDYZNCW-VGOFRKELSA-N 1 1 331.463 4.189 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331542 1053571594 /nfs/dbraw/zinc/57/15/94/1053571594.db2.gz APUJROCFDYZNCW-VGOFRKELSA-N 1 1 331.463 4.189 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000338953268 1053616664 /nfs/dbraw/zinc/61/66/64/1053616664.db2.gz KALZAVHQLHIKEI-UHFFFAOYSA-N 1 1 332.806 4.451 20 30 EIEDMO COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615739 1053713972 /nfs/dbraw/zinc/71/39/72/1053713972.db2.gz XTJZNJDVUUDDML-HNNXBMFYSA-N 1 1 344.817 4.349 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615739 1053713983 /nfs/dbraw/zinc/71/39/83/1053713983.db2.gz XTJZNJDVUUDDML-HNNXBMFYSA-N 1 1 344.817 4.349 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000765574139 1053724177 /nfs/dbraw/zinc/72/41/77/1053724177.db2.gz FKQVSARFLWKBEP-XLIONFOSSA-N 1 1 341.451 4.356 20 30 EIEDMO CCOCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001196886903 1053788689 /nfs/dbraw/zinc/78/86/89/1053788689.db2.gz DCUOYUZBBCKXAW-QFIPXVFZSA-N 1 1 337.438 4.203 20 30 EIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000121216092 1053824077 /nfs/dbraw/zinc/82/40/77/1053824077.db2.gz VUKBZVGNMHNKMR-AWEZNQCLSA-N 1 1 344.842 4.271 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)ccc1F ZINC001197882873 1054013360 /nfs/dbraw/zinc/01/33/60/1054013360.db2.gz ZYPRSUQWPTXWCL-AWEZNQCLSA-N 1 1 341.455 4.022 20 30 EIEDMO N#Cc1cccc(OCC[N@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC001197931684 1054027491 /nfs/dbraw/zinc/02/74/91/1054027491.db2.gz YKKLMIUSZDCWRJ-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC001197931684 1054027504 /nfs/dbraw/zinc/02/75/04/1054027504.db2.gz YKKLMIUSZDCWRJ-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO N#CCCOCC[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000339098804 1054065752 /nfs/dbraw/zinc/06/57/52/1054065752.db2.gz SPQVETDVOVMJGA-MRXNPFEDSA-N 1 1 328.481 4.086 20 30 EIEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000888574799 1054215024 /nfs/dbraw/zinc/21/50/24/1054215024.db2.gz QJCAKYWCHPCHLO-UHFFFAOYSA-N 1 1 348.450 4.125 20 30 EIEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC001198666906 1054227328 /nfs/dbraw/zinc/22/73/28/1054227328.db2.gz GWYVIFWAAAEJNN-BRSBDYLESA-N 1 1 334.504 4.149 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198705814 1054240966 /nfs/dbraw/zinc/24/09/66/1054240966.db2.gz MFNWXCODJAPNAV-NRFANRHFSA-N 1 1 334.463 4.451 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023560 1054403159 /nfs/dbraw/zinc/40/31/59/1054403159.db2.gz OZDYLVRYCYNYBN-NRFANRHFSA-N 1 1 347.462 4.068 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1C#N ZINC000858025742 1054403823 /nfs/dbraw/zinc/40/38/23/1054403823.db2.gz LIEONQDYJXYZGB-NRFANRHFSA-N 1 1 347.462 4.183 20 30 EIEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC[C@H]2CCCC2(F)F)CC1 ZINC000872405820 1054442037 /nfs/dbraw/zinc/44/20/37/1054442037.db2.gz DMPPIBLSQDUWDV-DUSLRRAJSA-N 1 1 349.469 4.442 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000105498155 1054530428 /nfs/dbraw/zinc/53/04/28/1054530428.db2.gz DDYUIQGBEJJDBE-ZDUSSCGKSA-N 1 1 329.469 4.021 20 30 EIEDMO Cc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)cc1C#N ZINC000859279571 1054656273 /nfs/dbraw/zinc/65/62/73/1054656273.db2.gz BTDCSTUUSSQOKW-UHFFFAOYSA-N 1 1 340.854 4.004 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001201762460 1054899998 /nfs/dbraw/zinc/89/99/98/1054899998.db2.gz LTZLGLZQEXULRH-LEWJYISDSA-N 1 1 346.515 4.192 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201853032 1054923356 /nfs/dbraw/zinc/92/33/56/1054923356.db2.gz YTCDJZJHCXNMLD-GOSISDBHSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001201839625 1054931140 /nfs/dbraw/zinc/93/11/40/1054931140.db2.gz OMXVXUFVUHYUMI-HXUWFJFHSA-N 1 1 347.547 4.492 20 30 EIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001201838709 1054931178 /nfs/dbraw/zinc/93/11/78/1054931178.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 1 1 329.532 4.196 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201838659 1054931776 /nfs/dbraw/zinc/93/17/76/1054931776.db2.gz BHWMYWOXUSUVFQ-IRLDBZIGSA-N 1 1 342.527 4.343 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562356 1054932253 /nfs/dbraw/zinc/93/22/53/1054932253.db2.gz OCWXXKLGAPKSSW-SQNIBIBYSA-N 1 1 349.519 4.038 20 30 EIEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000876777673 1054956244 /nfs/dbraw/zinc/95/62/44/1054956244.db2.gz ZILIBKQWVCWWMM-AWEZNQCLSA-N 1 1 343.883 4.221 20 30 EIEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000876777673 1054956261 /nfs/dbraw/zinc/95/62/61/1054956261.db2.gz ZILIBKQWVCWWMM-AWEZNQCLSA-N 1 1 343.883 4.221 20 30 EIEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876807527 1054958793 /nfs/dbraw/zinc/95/87/93/1054958793.db2.gz GCMPNQJGYGWEJS-VQIMIIECSA-N 1 1 328.481 4.224 20 30 EIEDMO CCCC[N@H+](C)c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000876857797 1054973604 /nfs/dbraw/zinc/97/36/04/1054973604.db2.gz IOSBOPPFSKTSFU-KRWDZBQOSA-N 1 1 329.488 4.434 20 30 EIEDMO CCCC[N@@H+](C)c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000876857797 1054973618 /nfs/dbraw/zinc/97/36/18/1054973618.db2.gz IOSBOPPFSKTSFU-KRWDZBQOSA-N 1 1 329.488 4.434 20 30 EIEDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876987373 1054992388 /nfs/dbraw/zinc/99/23/88/1054992388.db2.gz VVNUPVPUQLKCLB-UHFFFAOYSA-N 1 1 329.831 4.074 20 30 EIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876995082 1054994643 /nfs/dbraw/zinc/99/46/43/1054994643.db2.gz VXQPZGYIEDGAOT-MRXNPFEDSA-N 1 1 329.831 4.246 20 30 EIEDMO CC(C)n1c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nc2ccccc21 ZINC001202142415 1055047974 /nfs/dbraw/zinc/04/79/74/1055047974.db2.gz GQRJABDLEKONKB-UHFFFAOYSA-N 1 1 338.842 4.432 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2c(ccnc2Cl)o1 ZINC000877516810 1055068513 /nfs/dbraw/zinc/06/85/13/1055068513.db2.gz IRAZTKKBHQYBIC-UHFFFAOYSA-N 1 1 346.814 4.145 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2c(ccnc2Cl)o1 ZINC000877516810 1055068529 /nfs/dbraw/zinc/06/85/29/1055068529.db2.gz IRAZTKKBHQYBIC-UHFFFAOYSA-N 1 1 346.814 4.145 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000877546075 1055075845 /nfs/dbraw/zinc/07/58/45/1055075845.db2.gz OMBFXPGUCXPYNJ-LBPRGKRZSA-N 1 1 338.263 4.489 20 30 EIEDMO C#CCCCCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877582829 1055086470 /nfs/dbraw/zinc/08/64/70/1055086470.db2.gz AITHRZWAUVGQDH-INIZCTEOSA-N 1 1 331.422 4.251 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)cc1 ZINC001137124224 1055090746 /nfs/dbraw/zinc/09/07/46/1055090746.db2.gz WZWBNQBVCBDESB-HXUWFJFHSA-N 1 1 334.463 4.434 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000877919773 1055153496 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EIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151402 1055195734 /nfs/dbraw/zinc/19/57/34/1055195734.db2.gz QHCJYSNRFIZWDF-AQNXPRMDSA-N 1 1 344.524 4.033 20 30 EIEDMO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000112691420 1055240985 /nfs/dbraw/zinc/24/09/85/1055240985.db2.gz FELJZAUYHCSJFA-UHFFFAOYSA-N 1 1 347.462 4.400 20 30 EIEDMO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000624465216 1055308143 /nfs/dbraw/zinc/30/81/43/1055308143.db2.gz IDPDZEXMLBBXCI-DOTOQJQBSA-N 1 1 349.544 4.033 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000878807437 1055400614 /nfs/dbraw/zinc/40/06/14/1055400614.db2.gz BJORPAUXSYZRHX-JPYJTQIMSA-N 1 1 346.474 4.089 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C#N)cc4)C3)nc2c1 ZINC000130811334 1055642991 /nfs/dbraw/zinc/64/29/91/1055642991.db2.gz DFHKCWGMBBUHAX-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000130811334 1055643012 /nfs/dbraw/zinc/64/30/12/1055643012.db2.gz DFHKCWGMBBUHAX-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000130811334 1055643039 /nfs/dbraw/zinc/64/30/39/1055643039.db2.gz DFHKCWGMBBUHAX-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO N#Cc1cc(F)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(F)c1 ZINC000301109078 1055897481 /nfs/dbraw/zinc/89/74/81/1055897481.db2.gz MJUQKQUQIBSEKS-MRXNPFEDSA-N 1 1 331.366 4.069 20 30 EIEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000301159158 1055901685 /nfs/dbraw/zinc/90/16/85/1055901685.db2.gz SMTAIHUEWKLOGI-HNNXBMFYSA-N 1 1 329.444 4.083 20 30 EIEDMO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301806410 1055987797 /nfs/dbraw/zinc/98/77/97/1055987797.db2.gz XWTRLTQJZWPBKM-UGSOOPFHSA-N 1 1 349.400 4.030 20 30 EIEDMO CC[N@@H+](C)Cc1cccc(CNc2c(C#N)cnc3ccccc32)c1 ZINC000302003029 1056006639 /nfs/dbraw/zinc/00/66/39/1056006639.db2.gz XQUHWSKQAYFAFR-UHFFFAOYSA-N 1 1 330.435 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/nfs/dbraw/zinc/81/24/48/1056812448.db2.gz NBOZNUVBQXLBSB-SFHVURJKSA-N 1 1 338.455 4.399 20 30 EIEDMO CCCCCCCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000743989458 1059201277 /nfs/dbraw/zinc/20/12/77/1059201277.db2.gz QZOVYEYOUGKQAP-UHFFFAOYSA-N 1 1 342.527 4.396 20 30 EIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000744426221 1059484549 /nfs/dbraw/zinc/48/45/49/1059484549.db2.gz ILXAYXVAHYPZDA-CYBMUJFWSA-N 1 1 326.893 4.206 20 30 EIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1c(O)ccc2ccncc21 ZINC000745154891 1059755881 /nfs/dbraw/zinc/75/58/81/1059755881.db2.gz AABLURUKQDALCY-UHFFFAOYSA-N 1 1 349.390 4.037 20 30 EIEDMO CC(=[NH+]Nc1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000745987771 1059951487 /nfs/dbraw/zinc/95/14/87/1059951487.db2.gz LQFCFJRFUPJOCK-UHFFFAOYSA-N 1 1 332.245 4.351 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)cc1 ZINC000766491479 1060382208 /nfs/dbraw/zinc/38/22/08/1060382208.db2.gz PAMOOKRFDIPKMV-WMZJFQQLSA-N 1 1 327.387 4.257 20 30 EIEDMO C#CCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001168826427 1060436834 /nfs/dbraw/zinc/43/68/34/1060436834.db2.gz TZQVBCUOVRUESH-UHFFFAOYSA-N 1 1 328.253 4.475 20 30 EIEDMO C=CC[N@H+](C[C@H](C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293356 1060753943 /nfs/dbraw/zinc/75/39/43/1060753943.db2.gz UIDKVBPYFIEBEN-HKUYNNGSSA-N 1 1 331.500 4.331 20 30 EIEDMO C=CC[N@@H+](C[C@H](C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293356 1060753963 /nfs/dbraw/zinc/75/39/63/1060753963.db2.gz UIDKVBPYFIEBEN-HKUYNNGSSA-N 1 1 331.500 4.331 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC2(C(=O)OCC)CCC2)cc1 ZINC001169561277 1060858326 /nfs/dbraw/zinc/85/83/26/1060858326.db2.gz IWXAHJXZXJVHAJ-LJQANCHMSA-N 1 1 342.483 4.155 20 30 EIEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787170 1060968514 /nfs/dbraw/zinc/96/85/14/1060968514.db2.gz DDTAUEXLVWWFSO-HXUWFJFHSA-N 1 1 326.484 4.112 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169862505 1061012298 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CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)C(C)C ZINC000533256566 1032567974 /nfs/dbraw/zinc/56/79/74/1032567974.db2.gz SDRYIXQZKZJBOC-CVEARBPZSA-N 1 1 347.528 4.243 20 30 EIEDMO C=CCCC[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000533437175 1032764233 /nfs/dbraw/zinc/76/42/33/1032764233.db2.gz XJCPMOBZVZCYIP-HXUWFJFHSA-N 1 1 342.508 4.242 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000126842224 1018855162 /nfs/dbraw/zinc/85/51/62/1018855162.db2.gz BFLOWDSCYBDVJT-GFCCVEGCSA-N 1 1 347.871 4.295 20 30 EIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000430211320 1019366268 /nfs/dbraw/zinc/36/62/68/1019366268.db2.gz XRSUNNWVYVZCPX-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO CC1(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000339709583 1019838457 /nfs/dbraw/zinc/83/84/57/1019838457.db2.gz DWEPXUOUIWAXAI-ICSRJNTNSA-N 1 1 349.478 4.248 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC=C(c3ccccc3F)CC2)CCOCC1 ZINC000375600048 1019861150 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C=CC[C@H]1[N@@H+](Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528198 1020863680 /nfs/dbraw/zinc/86/36/80/1020863680.db2.gz XXXMTQWWFGJRNN-MRXNPFEDSA-N 1 1 330.501 4.110 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000177043151 1020950247 /nfs/dbraw/zinc/95/02/47/1020950247.db2.gz FJHQUAOQRUHPGV-FQEVSTJZSA-N 1 1 330.435 4.265 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000177043151 1020950250 /nfs/dbraw/zinc/95/02/50/1020950250.db2.gz FJHQUAOQRUHPGV-FQEVSTJZSA-N 1 1 330.435 4.265 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000121034961 1020987401 /nfs/dbraw/zinc/98/74/01/1020987401.db2.gz YDTSGOBUDMGEHD-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000121034961 1020987409 /nfs/dbraw/zinc/98/74/09/1020987409.db2.gz YDTSGOBUDMGEHD-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837425 1021129501 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EIEDMO CCc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414175434 1022036065 /nfs/dbraw/zinc/03/60/65/1022036065.db2.gz ZDZFOAXCLNIUKM-GOSISDBHSA-N 1 1 341.411 4.369 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377833418 1022038774 /nfs/dbraw/zinc/03/87/74/1022038774.db2.gz DOQZXTNNPOQXPX-QUCCMNQESA-N 1 1 342.483 4.008 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180182690 1022141722 /nfs/dbraw/zinc/14/17/22/1022141722.db2.gz BHMAKDSCGXGKJY-MRXNPFEDSA-N 1 1 331.529 4.096 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180182690 1022141735 /nfs/dbraw/zinc/14/17/35/1022141735.db2.gz BHMAKDSCGXGKJY-MRXNPFEDSA-N 1 1 331.529 4.096 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000378106789 1022379560 /nfs/dbraw/zinc/37/95/60/1022379560.db2.gz ZKQZMXVWICRYAX-PKOBYXMFSA-N 1 1 346.902 4.217 20 30 EIEDMO N#Cc1cc(F)c(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310863669 1022516514 /nfs/dbraw/zinc/51/65/14/1022516514.db2.gz DEPPLCVPNIXLQL-INIZCTEOSA-N 1 1 341.405 4.161 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691420 1033071173 /nfs/dbraw/zinc/07/11/73/1033071173.db2.gz CARHJGRZXLMLSA-DAXOMENPSA-N 1 1 326.337 4.268 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691420 1033071193 /nfs/dbraw/zinc/07/11/93/1033071193.db2.gz CARHJGRZXLMLSA-DAXOMENPSA-N 1 1 326.337 4.268 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620759 1022752690 /nfs/dbraw/zinc/75/26/90/1022752690.db2.gz SRXYCCRLAWDOIW-RHSMWYFYSA-N 1 1 330.453 4.081 20 30 EIEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1 ZINC001141114102 1022924760 /nfs/dbraw/zinc/92/47/60/1022924760.db2.gz FFKQGLYUMKBRML-SNVBAGLBSA-N 1 1 335.860 4.057 20 30 EIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1 ZINC001141114102 1022924766 /nfs/dbraw/zinc/92/47/66/1022924766.db2.gz FFKQGLYUMKBRML-SNVBAGLBSA-N 1 1 335.860 4.057 20 30 EIEDMO CC(C)([NH2+]Cc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000188900360 1022954608 /nfs/dbraw/zinc/95/46/08/1022954608.db2.gz UBJVMEXRIAYMDY-UHFFFAOYSA-N 1 1 334.341 4.482 20 30 EIEDMO C[C@H](Nc1c[nH+]c2c(Br)cccn12)c1cccc(C#N)c1 ZINC001167709938 1023080392 /nfs/dbraw/zinc/08/03/92/1023080392.db2.gz BLVVKHCAYLIULT-NSHDSACASA-N 1 1 341.212 4.142 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000512542928 1033105656 /nfs/dbraw/zinc/10/56/56/1033105656.db2.gz XCRBRNBFEGQNMS-CQSZACIVSA-N 1 1 328.481 4.123 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511597823 1023117845 /nfs/dbraw/zinc/11/78/45/1023117845.db2.gz VWRNZAQYTSUBOQ-KRWDZBQOSA-N 1 1 342.826 4.046 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511597823 1023117859 /nfs/dbraw/zinc/11/78/59/1023117859.db2.gz VWRNZAQYTSUBOQ-KRWDZBQOSA-N 1 1 342.826 4.046 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000328776161 1023179535 /nfs/dbraw/zinc/17/95/35/1023179535.db2.gz KWIUJFRBNPBIJE-NSHDSACASA-N 1 1 336.386 4.353 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000328776161 1023179540 /nfs/dbraw/zinc/17/95/40/1023179540.db2.gz KWIUJFRBNPBIJE-NSHDSACASA-N 1 1 336.386 4.353 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000328776161 1023179550 /nfs/dbraw/zinc/17/95/50/1023179550.db2.gz KWIUJFRBNPBIJE-NSHDSACASA-N 1 1 336.386 4.353 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376954656 1023340141 /nfs/dbraw/zinc/34/01/41/1023340141.db2.gz LUMULYGJYQZMHA-OKCRPCIYSA-N 1 1 340.511 4.243 20 30 EIEDMO N#CC[C@@H](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccccc1 ZINC000377088171 1023366854 /nfs/dbraw/zinc/36/68/54/1023366854.db2.gz APSZDTUMYJJSRX-KRWDZBQOSA-N 1 1 345.446 4.191 20 30 EIEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1C#N ZINC000728688112 1023390385 /nfs/dbraw/zinc/39/03/85/1023390385.db2.gz HIGFFMNZODOJOO-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1C#N ZINC000728688112 1023390393 /nfs/dbraw/zinc/39/03/93/1023390393.db2.gz HIGFFMNZODOJOO-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC001167746488 1023491671 /nfs/dbraw/zinc/49/16/71/1023491671.db2.gz WWISRZNJKKMLGF-QFIPXVFZSA-N 1 1 327.431 4.007 20 30 EIEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565954658 1023502647 /nfs/dbraw/zinc/50/26/47/1023502647.db2.gz OXMLKHJOLCQPPY-OAHLLOKOSA-N 1 1 327.409 4.037 20 30 EIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565954658 1023502654 /nfs/dbraw/zinc/50/26/54/1023502654.db2.gz OXMLKHJOLCQPPY-OAHLLOKOSA-N 1 1 327.409 4.037 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC(F)(F)F)ccc1F ZINC001143543071 1033138378 /nfs/dbraw/zinc/13/83/78/1033138378.db2.gz NIROQPJQFLPIIH-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC(F)(F)F)ccc1F ZINC001143543071 1033138388 /nfs/dbraw/zinc/13/83/88/1033138388.db2.gz NIROQPJQFLPIIH-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418129986 1023547420 /nfs/dbraw/zinc/54/74/20/1023547420.db2.gz TZKITSQNIMTCPT-IBGZPJMESA-N 1 1 330.497 4.087 20 30 EIEDMO N#CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1 ZINC000418144857 1023560247 /nfs/dbraw/zinc/56/02/47/1023560247.db2.gz VFSJQZKCZLRODL-UHFFFAOYSA-N 1 1 342.446 4.323 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C#N)s4)C3)nc2c1 ZINC000584299258 1023686597 /nfs/dbraw/zinc/68/65/97/1023686597.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 1 1 336.464 4.184 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299258 1023686608 /nfs/dbraw/zinc/68/66/08/1023686608.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 1 1 336.464 4.184 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299258 1023686614 /nfs/dbraw/zinc/68/66/14/1023686614.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 1 1 336.464 4.184 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000511658563 1023688609 /nfs/dbraw/zinc/68/86/09/1023688609.db2.gz ZFMWDVJYSRZLBO-UHFFFAOYSA-N 1 1 349.261 4.250 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759851891 1023731410 /nfs/dbraw/zinc/73/14/10/1023731410.db2.gz IVFXLPRMYUVUGP-QGZVFWFLSA-N 1 1 326.843 4.164 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759851891 1023731416 /nfs/dbraw/zinc/73/14/16/1023731416.db2.gz IVFXLPRMYUVUGP-QGZVFWFLSA-N 1 1 326.843 4.164 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660447136 1023809447 /nfs/dbraw/zinc/80/94/47/1023809447.db2.gz OVZAQOIBSJFFOJ-FQEVSTJZSA-N 1 1 342.527 4.349 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000178258100 1023876128 /nfs/dbraw/zinc/87/61/28/1023876128.db2.gz MKTCNNCTRUMBGX-INIZCTEOSA-N 1 1 348.918 4.343 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC001167767596 1023885425 /nfs/dbraw/zinc/88/54/25/1023885425.db2.gz YBMOZHWWMTWMBE-KRWDZBQOSA-N 1 1 325.481 4.395 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325094 1023932782 /nfs/dbraw/zinc/93/27/82/1023932782.db2.gz MTWTWBVTBMXKJX-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325094 1023932791 /nfs/dbraw/zinc/93/27/91/1023932791.db2.gz MTWTWBVTBMXKJX-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644621 1023933408 /nfs/dbraw/zinc/93/34/08/1023933408.db2.gz CHHLLBLAUHSCAN-GFCCVEGCSA-N 1 1 340.250 4.392 20 30 EIEDMO Fc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000618451983 1024022214 /nfs/dbraw/zinc/02/22/14/1024022214.db2.gz REEQNJKNEFPIFK-QWRGUYRKSA-N 1 1 329.259 4.388 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610604963 1024305902 /nfs/dbraw/zinc/30/59/02/1024305902.db2.gz RXLXVZBSWZMBOW-ICCXJUOJSA-N 1 1 336.279 4.292 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000610660791 1024425955 /nfs/dbraw/zinc/42/59/55/1024425955.db2.gz SZHUEUNHZHSVIN-UHFFFAOYSA-N 1 1 347.890 4.241 20 30 EIEDMO N#CC1(F)CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000510873781 1024694130 /nfs/dbraw/zinc/69/41/30/1024694130.db2.gz VUDWZSKOYFPYRG-OAHLLOKOSA-N 1 1 337.236 4.154 20 30 EIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@H](C)C#N ZINC000091982929 1024708810 /nfs/dbraw/zinc/70/88/10/1024708810.db2.gz VVJYRJRMGDYRPC-MRXNPFEDSA-N 1 1 338.451 4.352 20 30 EIEDMO CC[N@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@H](C)C#N ZINC000091982929 1024708830 /nfs/dbraw/zinc/70/88/30/1024708830.db2.gz VVJYRJRMGDYRPC-MRXNPFEDSA-N 1 1 338.451 4.352 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079706 1024849687 /nfs/dbraw/zinc/84/96/87/1024849687.db2.gz LOTBVYGRJKVCOT-CWRNSKLLSA-N 1 1 327.403 4.428 20 30 EIEDMO N#CCc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000248851631 1024872279 /nfs/dbraw/zinc/87/22/79/1024872279.db2.gz BIPXFMNUOQYFDZ-BAGYTPMASA-N 1 1 331.463 4.075 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000093872246 1024896901 /nfs/dbraw/zinc/89/69/01/1024896901.db2.gz UFJKFSQHTCOGCP-ROUUACIJSA-N 1 1 348.475 4.410 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000093872246 1024896903 /nfs/dbraw/zinc/89/69/03/1024896903.db2.gz UFJKFSQHTCOGCP-ROUUACIJSA-N 1 1 348.475 4.410 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c(F)c1 ZINC000341681653 1025000372 /nfs/dbraw/zinc/00/03/72/1025000372.db2.gz HDWHNEUTBLNUGN-QGZVFWFLSA-N 1 1 330.790 4.354 20 30 EIEDMO C[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567051 1025063340 /nfs/dbraw/zinc/06/33/40/1025063340.db2.gz JJGDVPSGLBLUMX-SJLPKXTDSA-N 1 1 330.428 4.111 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000181252314 1025135771 /nfs/dbraw/zinc/13/57/71/1025135771.db2.gz TWHNYJLGUTYONG-HXUWFJFHSA-N 1 1 338.451 4.191 20 30 EIEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000181252314 1025135780 /nfs/dbraw/zinc/13/57/80/1025135780.db2.gz TWHNYJLGUTYONG-HXUWFJFHSA-N 1 1 338.451 4.191 20 30 EIEDMO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126244197 1025181291 /nfs/dbraw/zinc/18/12/91/1025181291.db2.gz UDIYHASCPUKXGM-QWFCFKBJSA-N 1 1 328.500 4.100 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000150852603 1025219919 /nfs/dbraw/zinc/21/99/19/1025219919.db2.gz RETYONIMDPHWBN-SJLPKXTDSA-N 1 1 332.513 4.016 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)ccn1 ZINC000610995170 1025243660 /nfs/dbraw/zinc/24/36/60/1025243660.db2.gz QXHGFRLNRFAWHJ-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)ccn1 ZINC000610995170 1025243681 /nfs/dbraw/zinc/24/36/81/1025243681.db2.gz QXHGFRLNRFAWHJ-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1cc(C[NH+](Cc2cccs2)Cc2cccs2)ccn1 ZINC000610995323 1025245302 /nfs/dbraw/zinc/24/53/02/1025245302.db2.gz PANSWDFWNJDYNQ-UHFFFAOYSA-N 1 1 325.462 4.279 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499326 1025336465 /nfs/dbraw/zinc/33/64/65/1025336465.db2.gz GMIPXAYMWMAASO-LAUBAEHRSA-N 1 1 347.462 4.012 20 30 EIEDMO N#Cc1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000278902154 1025385784 /nfs/dbraw/zinc/38/57/84/1025385784.db2.gz QYMZOSLNNLCYEQ-UHFFFAOYSA-N 1 1 340.858 4.128 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891864 1025610970 /nfs/dbraw/zinc/61/09/70/1025610970.db2.gz RGMZACNUTIETBS-WMLDXEAASA-N 1 1 330.453 4.081 20 30 EIEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC001626750723 1025805011 /nfs/dbraw/zinc/80/50/11/1025805011.db2.gz DVTOLLHHXDMMGH-SFHVURJKSA-N 1 1 336.907 4.046 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC#Cc1cccc(Cl)c1)CCC2 ZINC000440329735 1025819746 /nfs/dbraw/zinc/81/97/46/1025819746.db2.gz RZZWCNLLCOGNTH-KRWDZBQOSA-N 1 1 330.884 4.466 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)CCC2 ZINC000440329735 1025819754 /nfs/dbraw/zinc/81/97/54/1025819754.db2.gz RZZWCNLLCOGNTH-KRWDZBQOSA-N 1 1 330.884 4.466 20 30 EIEDMO C[C@@H]1CSc2ccccc2C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000369193057 1025848212 /nfs/dbraw/zinc/84/82/12/1025848212.db2.gz JGAFGTNMYWIJIF-MRXNPFEDSA-N 1 1 330.497 4.083 20 30 EIEDMO N#C[C@H]1CC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)CC1 ZINC001167841234 1025879351 /nfs/dbraw/zinc/87/93/51/1025879351.db2.gz QCSMBJJJSVQUIK-KOMQPUFPSA-N 1 1 349.413 4.113 20 30 EIEDMO C[C@@](C#N)(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1Cl ZINC001167967866 1025883591 /nfs/dbraw/zinc/88/35/91/1025883591.db2.gz JXEHFTIKVRWCTL-KRXYWNSISA-N 1 1 343.902 4.074 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1ncc(C#N)cn1)[C@@H]1CCC[C@H](C)C1 ZINC000582052785 1026034691 /nfs/dbraw/zinc/03/46/91/1026034691.db2.gz SJCPXQCBXIEEHK-RRMPHLOHSA-N 1 1 334.467 4.314 20 30 EIEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344222227 1026155297 /nfs/dbraw/zinc/15/52/97/1026155297.db2.gz SPULLCCSTXXDHA-MRXNPFEDSA-N 1 1 337.467 4.106 20 30 EIEDMO N#CCCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000344325495 1026246084 /nfs/dbraw/zinc/24/60/84/1026246084.db2.gz HNCBPMUWOLENQW-UHFFFAOYSA-N 1 1 325.359 4.222 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000512188302 1026293216 /nfs/dbraw/zinc/29/32/16/1026293216.db2.gz YBWNPILLYOCCPA-SFHVURJKSA-N 1 1 333.472 4.032 20 30 EIEDMO COc1ccc2ccc(O)c(C[N@@H+](CCC#N)CCC(C)C)c2c1 ZINC000728901320 1026327475 /nfs/dbraw/zinc/32/74/75/1026327475.db2.gz DCEHVMMPKUFBDW-UHFFFAOYSA-N 1 1 326.440 4.316 20 30 EIEDMO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590727 1026507123 /nfs/dbraw/zinc/50/71/23/1026507123.db2.gz BTMOUPTVOSIOHV-XWFZLUIHSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590727 1026507132 /nfs/dbraw/zinc/50/71/32/1026507132.db2.gz BTMOUPTVOSIOHV-XWFZLUIHSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572754 /nfs/dbraw/zinc/57/27/54/1026572754.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512245169 1026572804 /nfs/dbraw/zinc/57/28/04/1026572804.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512245169 1026572808 /nfs/dbraw/zinc/57/28/08/1026572808.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 1 1 345.490 4.217 20 30 EIEDMO COC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000279681327 1026593866 /nfs/dbraw/zinc/59/38/66/1026593866.db2.gz HFMQQYIBJQJVET-GOSISDBHSA-N 1 1 326.827 4.178 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC#Cc1ccc(Cl)cc1)CCC2 ZINC000427025900 1026678387 /nfs/dbraw/zinc/67/83/87/1026678387.db2.gz GJCOIOPFYHJMJB-KRWDZBQOSA-N 1 1 330.884 4.466 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC#Cc1ccc(Cl)cc1)CCC2 ZINC000427025900 1026678390 /nfs/dbraw/zinc/67/83/90/1026678390.db2.gz GJCOIOPFYHJMJB-KRWDZBQOSA-N 1 1 330.884 4.466 20 30 EIEDMO CCCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OCC ZINC000507221482 1026707481 /nfs/dbraw/zinc/70/74/81/1026707481.db2.gz KIKKAWVECXFXDL-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000507252725 1026718147 /nfs/dbraw/zinc/71/81/47/1026718147.db2.gz NNRKJQCVJILRRK-UHFFFAOYSA-N 1 1 336.435 4.154 20 30 EIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360122 1026803782 /nfs/dbraw/zinc/80/37/82/1026803782.db2.gz SIAPEVLQJQJPAU-SFTDATJTSA-N 1 1 344.462 4.364 20 30 EIEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000519618758 1026930470 /nfs/dbraw/zinc/93/04/70/1026930470.db2.gz XBHSFFIMZNLNMB-GOSISDBHSA-N 1 1 328.843 4.061 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245768 1026998956 /nfs/dbraw/zinc/99/89/56/1026998956.db2.gz ZYJTYMIJLFAQIX-MBOZVWFJSA-N 1 1 349.478 4.391 20 30 EIEDMO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CC)c1ccccc1 ZINC000519907018 1027040150 /nfs/dbraw/zinc/04/01/50/1027040150.db2.gz GBCPCYYIUDHFQR-IBGZPJMESA-N 1 1 341.499 4.192 20 30 EIEDMO COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000087787602 1027194609 /nfs/dbraw/zinc/19/46/09/1027194609.db2.gz JXBBQUWWLSWIPP-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C[C@@H]1CC([NH2+]Cc2cc(C#N)cs2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039301 1027314183 /nfs/dbraw/zinc/31/41/83/1027314183.db2.gz CURXZBNPGLHZKU-HZPDHXFCSA-N 1 1 339.508 4.151 20 30 EIEDMO Oc1ccc(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441162179 1027317263 /nfs/dbraw/zinc/31/72/63/1027317263.db2.gz ZYIGRCBFIUCGAY-UHFFFAOYSA-N 1 1 325.839 4.277 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441243456 1027390976 /nfs/dbraw/zinc/39/09/76/1027390976.db2.gz JAYLCONTVDCQPK-HZPDHXFCSA-N 1 1 342.870 4.026 20 30 EIEDMO COc1cccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000255555645 1027436649 /nfs/dbraw/zinc/43/66/49/1027436649.db2.gz DBTZFNZHTZRIME-XFXZXTDPSA-N 1 1 348.402 4.094 20 30 EIEDMO N#Cc1ccccc1CNc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001167633521 1027570330 /nfs/dbraw/zinc/57/03/30/1027570330.db2.gz MFESNSKKCBWGBZ-UHFFFAOYSA-N 1 1 343.390 4.209 20 30 EIEDMO CC[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329249040 1027671978 /nfs/dbraw/zinc/67/19/78/1027671978.db2.gz SUOSQYARNYBMGN-SJORKVTESA-N 1 1 346.471 4.130 20 30 EIEDMO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nc(C2CCCCC2)no1 ZINC000329308352 1027714680 /nfs/dbraw/zinc/71/46/80/1027714680.db2.gz ZRTYLHBXOBNRNE-HOCLYGCPSA-N 1 1 348.491 4.399 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1F ZINC000550391999 1027743698 /nfs/dbraw/zinc/74/36/98/1027743698.db2.gz XJGXDNOAEPLWKV-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1F ZINC000550391999 1027743725 /nfs/dbraw/zinc/74/37/25/1027743725.db2.gz XJGXDNOAEPLWKV-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011687 1027760622 /nfs/dbraw/zinc/76/06/22/1027760622.db2.gz ONXZAHFOQRBYIX-RTBURBONSA-N 1 1 326.484 4.273 20 30 EIEDMO CC(C)n1ncc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc21 ZINC000329463180 1027798301 /nfs/dbraw/zinc/79/83/01/1027798301.db2.gz UFWUVQRRTUDCIP-KRWDZBQOSA-N 1 1 328.460 4.470 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@H]1C ZINC000444668373 1027950673 /nfs/dbraw/zinc/95/06/73/1027950673.db2.gz CDSZCWMINDDFHB-CXAGYDPISA-N 1 1 333.863 4.051 20 30 EIEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668368 1027953515 /nfs/dbraw/zinc/95/35/15/1027953515.db2.gz USMDUWAZKDZHON-GDBMZVCRSA-N 1 1 333.501 4.076 20 30 EIEDMO CC[C@@]1(CO)CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673257 1027957042 /nfs/dbraw/zinc/95/70/42/1027957042.db2.gz HMEHAAFLMUAYMH-QFIPXVFZSA-N 1 1 348.490 4.123 20 30 EIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCCO1 ZINC000523349904 1028004436 /nfs/dbraw/zinc/00/44/36/1028004436.db2.gz UWPFTJVBPPAXMA-HNNXBMFYSA-N 1 1 342.252 4.145 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCCO1 ZINC000523349904 1028004456 /nfs/dbraw/zinc/00/44/56/1028004456.db2.gz UWPFTJVBPPAXMA-HNNXBMFYSA-N 1 1 342.252 4.145 20 30 EIEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000444753681 1028039364 /nfs/dbraw/zinc/03/93/64/1028039364.db2.gz PPTQWPFOYMTYTF-KRWDZBQOSA-N 1 1 337.467 4.106 20 30 EIEDMO COCCSc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428315921 1028145060 /nfs/dbraw/zinc/14/50/60/1028145060.db2.gz PYZCJDOYRYDXPM-CQSZACIVSA-N 1 1 344.455 4.287 20 30 EIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)NC1CCCCCC1 ZINC000329934960 1028159006 /nfs/dbraw/zinc/15/90/06/1028159006.db2.gz QUFDEJRQEQSQQK-UHFFFAOYSA-N 1 1 342.487 4.077 20 30 EIEDMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000329933514 1028160128 /nfs/dbraw/zinc/16/01/28/1028160128.db2.gz BMORQVSILMNARJ-UHFFFAOYSA-N 1 1 332.492 4.061 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2nc1C ZINC000047726396 1028181784 /nfs/dbraw/zinc/18/17/84/1028181784.db2.gz AWCDJBLNCYNPQM-UHFFFAOYSA-N 1 1 330.435 4.222 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000047740793 1028192995 /nfs/dbraw/zinc/19/29/95/1028192995.db2.gz JLUYFTUOWPFMDY-UHFFFAOYSA-N 1 1 335.451 4.026 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000047740793 1028193005 /nfs/dbraw/zinc/19/30/05/1028193005.db2.gz JLUYFTUOWPFMDY-UHFFFAOYSA-N 1 1 335.451 4.026 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000330291652 1028269986 /nfs/dbraw/zinc/26/99/86/1028269986.db2.gz GQZCXYIMRYQDAD-QGZVFWFLSA-N 1 1 340.471 4.342 20 30 EIEDMO COc1ccc2nc(NC(=O)CC[C@H]3CCCC[N@H+]3C)sc2c1 ZINC000330296268 1028282817 /nfs/dbraw/zinc/28/28/17/1028282817.db2.gz KAWNYTXYHAKJFN-GFCCVEGCSA-N 1 1 333.457 4.157 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000428394047 1028385483 /nfs/dbraw/zinc/38/54/83/1028385483.db2.gz RSWISTGYTDBIEM-UHFFFAOYSA-N 1 1 344.817 4.146 20 30 EIEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000583286542 1028424753 /nfs/dbraw/zinc/42/47/53/1028424753.db2.gz UPLHTFTWHMJGCU-OAHLLOKOSA-N 1 1 347.528 4.387 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445440327 1028561714 /nfs/dbraw/zinc/56/17/14/1028561714.db2.gz ORFLTJBQUGKQJI-OPAMFIHVSA-N 1 1 332.447 4.181 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445440327 1028561735 /nfs/dbraw/zinc/56/17/35/1028561735.db2.gz ORFLTJBQUGKQJI-OPAMFIHVSA-N 1 1 332.447 4.181 20 30 EIEDMO COc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc(OC)c1 ZINC000330345005 1028607223 /nfs/dbraw/zinc/60/72/23/1028607223.db2.gz DPOZQWSGFGZEGX-SFHVURJKSA-N 1 1 332.444 4.089 20 30 EIEDMO COc1ccc([C@H]([NH2+]CCCC#N)c2ccccc2Cl)cc1OC ZINC000346808295 1028664534 /nfs/dbraw/zinc/66/45/34/1028664534.db2.gz CYUSNHUQCGQYPE-IBGZPJMESA-N 1 1 344.842 4.340 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281513283 1028669794 /nfs/dbraw/zinc/66/97/94/1028669794.db2.gz XMUQCJYBAPFEPO-HOJAQTOUSA-N 1 1 343.515 4.036 20 30 EIEDMO COc1cc(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000440806123 1028735804 /nfs/dbraw/zinc/73/58/04/1028735804.db2.gz HGOAMFNDCWNNHC-QGZVFWFLSA-N 1 1 349.478 4.411 20 30 EIEDMO Cn1cc(C[N@H+](CCC(C)(C)C#N)Cc2ccc(Cl)cc2)cn1 ZINC000347078045 1028870012 /nfs/dbraw/zinc/87/00/12/1028870012.db2.gz IXBLTRUBZHHQPC-UHFFFAOYSA-N 1 1 330.863 4.016 20 30 EIEDMO Cn1cc(C[N@@H+](CCC(C)(C)C#N)Cc2ccc(Cl)cc2)cn1 ZINC000347078045 1028870013 /nfs/dbraw/zinc/87/00/13/1028870013.db2.gz IXBLTRUBZHHQPC-UHFFFAOYSA-N 1 1 330.863 4.016 20 30 EIEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245566313 1028879671 /nfs/dbraw/zinc/87/96/71/1028879671.db2.gz QKQFSUKGPZPNBP-SJLPKXTDSA-N 1 1 338.854 4.085 20 30 EIEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245566313 1028879674 /nfs/dbraw/zinc/87/96/74/1028879674.db2.gz QKQFSUKGPZPNBP-SJLPKXTDSA-N 1 1 338.854 4.085 20 30 EIEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347172179 1028893218 /nfs/dbraw/zinc/89/32/18/1028893218.db2.gz RBZQEKUWZYPVNO-SUMWQHHRSA-N 1 1 343.377 4.138 20 30 EIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347172179 1028893219 /nfs/dbraw/zinc/89/32/19/1028893219.db2.gz RBZQEKUWZYPVNO-SUMWQHHRSA-N 1 1 343.377 4.138 20 30 EIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000444170601 1029037889 /nfs/dbraw/zinc/03/78/89/1029037889.db2.gz SRRXSVGAAITQDC-UHFFFAOYSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000444211161 1029074472 /nfs/dbraw/zinc/07/44/72/1029074472.db2.gz JDZDLZILTLUFIC-UHFFFAOYSA-N 1 1 337.467 4.106 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000444224700 1029092649 /nfs/dbraw/zinc/09/26/49/1029092649.db2.gz KWDFOPYVAVREAL-UHFFFAOYSA-N 1 1 335.879 4.320 20 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Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299259 1029726388 /nfs/dbraw/zinc/72/63/88/1029726388.db2.gz DRIMHUGIIWYTLI-CQSZACIVSA-N 1 1 336.464 4.184 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299259 1029726397 /nfs/dbraw/zinc/72/63/97/1029726397.db2.gz DRIMHUGIIWYTLI-CQSZACIVSA-N 1 1 336.464 4.184 20 30 EIEDMO CC[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750082 1029806294 /nfs/dbraw/zinc/80/62/94/1029806294.db2.gz NTXDIIMMLJTUSV-PBEJRMEISA-N 1 1 325.500 4.252 20 30 EIEDMO CC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750082 1029806298 /nfs/dbraw/zinc/80/62/98/1029806298.db2.gz NTXDIIMMLJTUSV-PBEJRMEISA-N 1 1 325.500 4.252 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871136 /nfs/dbraw/zinc/87/11/36/1029871136.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 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C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413878 1030478317 /nfs/dbraw/zinc/47/83/17/1030478317.db2.gz ZJARTGRUELYWFF-GWCFXTLKSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413878 1030478333 /nfs/dbraw/zinc/47/83/33/1030478333.db2.gz ZJARTGRUELYWFF-GWCFXTLKSA-N 1 1 348.315 4.322 20 30 EIEDMO CO[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000451563156 1030579640 /nfs/dbraw/zinc/57/96/40/1030579640.db2.gz JSPZVXHFBZLSGV-SIKLNZKXSA-N 1 1 348.490 4.243 20 30 EIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961075 1030590323 /nfs/dbraw/zinc/59/03/23/1030590323.db2.gz VDHRCZCWBKYVAQ-UTKZUKDTSA-N 1 1 335.451 4.347 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000191445723 1030625848 /nfs/dbraw/zinc/62/58/48/1030625848.db2.gz LIWNCSXCOIDIQB-AEFFLSMTSA-N 1 1 343.515 4.485 20 30 EIEDMO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(CC#N)cc1 ZINC000399130530 1030748433 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C=CC[N@@H+](CCc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000065959528 1031621637 /nfs/dbraw/zinc/62/16/37/1031621637.db2.gz NBQREOWIADRRAV-UHFFFAOYSA-N 1 1 331.463 4.162 20 30 EIEDMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)C#N ZINC000612585307 1031680471 /nfs/dbraw/zinc/68/04/71/1031680471.db2.gz WLYYCGWGJNOJEI-UHFFFAOYSA-N 1 1 344.462 4.487 20 30 EIEDMO CC(C)CCn1nc(C[NH2+]Cc2cc(C#N)cs2)c2ccccc21 ZINC000449488098 1031799061 /nfs/dbraw/zinc/79/90/61/1031799061.db2.gz CHWRZIGKMBQUQM-UHFFFAOYSA-N 1 1 338.480 4.305 20 30 EIEDMO N#CCCn1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532829 1031829035 /nfs/dbraw/zinc/82/90/35/1031829035.db2.gz DRISPLFWXWTGFP-IRLDBZIGSA-N 1 1 346.478 4.084 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C2(C)CC2)ccc1Cl ZINC000347373597 1031863192 /nfs/dbraw/zinc/86/31/92/1031863192.db2.gz LZLUSNLUEBLPMF-OAHLLOKOSA-N 1 1 347.890 4.016 20 30 EIEDMO N#CCc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000449697235 1031936482 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EIEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)n1 ZINC000602581312 1036510620 /nfs/dbraw/zinc/51/06/20/1036510620.db2.gz QRTPSQUIUWWMSK-UHFFFAOYSA-N 1 1 327.378 4.181 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000602733914 1036600986 /nfs/dbraw/zinc/60/09/86/1036600986.db2.gz ZRCPSLMTVQHDPF-LEWJYISDSA-N 1 1 334.463 4.186 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602884079 1036661036 /nfs/dbraw/zinc/66/10/36/1036661036.db2.gz BJDOVPUVTQYXAU-HNAYVOBHSA-N 1 1 328.419 4.052 20 30 EIEDMO CC(C)(C)c1csc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000602894189 1036667221 /nfs/dbraw/zinc/66/72/21/1036667221.db2.gz WAFOUFUYNINMKJ-INIZCTEOSA-N 1 1 344.528 4.139 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000513755260 1036679166 /nfs/dbraw/zinc/67/91/66/1036679166.db2.gz ONMGBBNZYWTEFZ-UHFFFAOYSA-N 1 1 343.492 4.226 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000513755260 1036679173 /nfs/dbraw/zinc/67/91/73/1036679173.db2.gz ONMGBBNZYWTEFZ-UHFFFAOYSA-N 1 1 343.492 4.226 20 30 EIEDMO CC(C)(C#N)CCCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCCC(C)(C)C#N ZINC000602988403 1036689700 /nfs/dbraw/zinc/68/97/00/1036689700.db2.gz JHUUNVFKCBEKFS-OALUTQOASA-N 1 1 344.547 4.185 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592004 1036709597 /nfs/dbraw/zinc/70/95/97/1036709597.db2.gz DOCFSPWYHSZMSV-RTWAWAEBSA-N 1 1 334.463 4.087 20 30 EIEDMO C[C@H](NC(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341706 1036739909 /nfs/dbraw/zinc/73/99/09/1036739909.db2.gz HMPWBZGYAJCWGA-KKSFZXQISA-N 1 1 333.479 4.265 20 30 EIEDMO CCC[N@@H+](Cc1ccccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502879591 1036747982 /nfs/dbraw/zinc/74/79/82/1036747982.db2.gz ZSGBKZWBSKDCOQ-KRWDZBQOSA-N 1 1 335.451 4.188 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)CC(C)(C)C#N ZINC000598726166 1036761630 /nfs/dbraw/zinc/76/16/30/1036761630.db2.gz OLCXBUUWDUOKHS-AEFFLSMTSA-N 1 1 329.488 4.087 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)CC(C)(C)C#N ZINC000598726166 1036761647 /nfs/dbraw/zinc/76/16/47/1036761647.db2.gz OLCXBUUWDUOKHS-AEFFLSMTSA-N 1 1 329.488 4.087 20 30 EIEDMO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1Cl ZINC000421867887 1036838105 /nfs/dbraw/zinc/83/81/05/1036838105.db2.gz CMKIRJYHRFPYDA-JTQLQIEISA-N 1 1 336.844 4.141 20 30 EIEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000486794660 1036858126 /nfs/dbraw/zinc/85/81/26/1036858126.db2.gz DUXFUIGNBMOWHS-IBGZPJMESA-N 1 1 326.827 4.094 20 30 EIEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000486794660 1036858128 /nfs/dbraw/zinc/85/81/28/1036858128.db2.gz DUXFUIGNBMOWHS-IBGZPJMESA-N 1 1 326.827 4.094 20 30 EIEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000603497588 1036865594 /nfs/dbraw/zinc/86/55/94/1036865594.db2.gz ILZLADRSYXCNQU-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000603497588 1036865597 /nfs/dbraw/zinc/86/55/97/1036865597.db2.gz ILZLADRSYXCNQU-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000589743008 1036869266 /nfs/dbraw/zinc/86/92/66/1036869266.db2.gz WSJIQCNGGHRYKI-JWOSDPRPSA-N 1 1 326.484 4.018 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)ccn1 ZINC000590197439 1037008479 /nfs/dbraw/zinc/00/84/79/1037008479.db2.gz VFJKIYDQVBXICY-JOCHJYFZSA-N 1 1 325.415 4.101 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)ccn1 ZINC000590197439 1037008498 /nfs/dbraw/zinc/00/84/98/1037008498.db2.gz VFJKIYDQVBXICY-JOCHJYFZSA-N 1 1 325.415 4.101 20 30 EIEDMO C[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)CC(C)(C)C#N ZINC000590372092 1037052740 /nfs/dbraw/zinc/05/27/40/1037052740.db2.gz OFNCLSOUZXTWCX-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)CC(C)(C)C#N ZINC000590372092 1037052764 /nfs/dbraw/zinc/05/27/64/1037052764.db2.gz OFNCLSOUZXTWCX-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856882 1037053555 /nfs/dbraw/zinc/05/35/55/1037053555.db2.gz ZXWFKLSTSYOMPJ-OAHLLOKOSA-N 1 1 347.890 4.018 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856882 1037053573 /nfs/dbraw/zinc/05/35/73/1037053573.db2.gz ZXWFKLSTSYOMPJ-OAHLLOKOSA-N 1 1 347.890 4.018 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000603894803 1037079856 /nfs/dbraw/zinc/07/98/56/1037079856.db2.gz PBKMSRKELJVNDO-UHFFFAOYSA-N 1 1 348.368 4.226 20 30 EIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583584 1037084860 /nfs/dbraw/zinc/08/48/60/1037084860.db2.gz SHBLEUPFCVCVAT-IRXDYDNUSA-N 1 1 334.504 4.150 20 30 EIEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000272532666 1037211732 /nfs/dbraw/zinc/21/17/32/1037211732.db2.gz IRXZZAYKPHNEEU-SJORKVTESA-N 1 1 349.478 4.031 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000272577487 1037231740 /nfs/dbraw/zinc/23/17/40/1037231740.db2.gz NVFDOSLQGZPUEV-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272636163 1037249523 /nfs/dbraw/zinc/24/95/23/1037249523.db2.gz WVVWFQDQSRXCTA-KRWDZBQOSA-N 1 1 347.462 4.306 20 30 EIEDMO CCc1cc2oc(=O)cc(C[NH+]3CCC(C)(C#N)CC3)c2cc1Cl ZINC000272641517 1037257121 /nfs/dbraw/zinc/25/71/21/1037257121.db2.gz XOZRPLUNGCNTLJ-UHFFFAOYSA-N 1 1 344.842 4.134 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000488168864 1037388258 /nfs/dbraw/zinc/38/82/58/1037388258.db2.gz QUVWVMRZHZODQK-OAHLLOKOSA-N 1 1 338.377 4.114 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000604533500 1037430508 /nfs/dbraw/zinc/43/05/08/1037430508.db2.gz WNDXKTKUSWKSKE-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000604533500 1037430519 /nfs/dbraw/zinc/43/05/19/1037430519.db2.gz WNDXKTKUSWKSKE-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO C=CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000604885270 1037577085 /nfs/dbraw/zinc/57/70/85/1037577085.db2.gz WPLGVEQXPHKNOC-MSOLQXFVSA-N 1 1 347.466 4.015 20 30 EIEDMO CCc1cccc2c(C3CC[NH+](Cc4ccncc4C#N)CC3)c[nH]c21 ZINC000592064337 1037725530 /nfs/dbraw/zinc/72/55/30/1037725530.db2.gz SCUYRVBZXDRAHZ-UHFFFAOYSA-N 1 1 344.462 4.377 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188875 1037742562 /nfs/dbraw/zinc/74/25/62/1037742562.db2.gz QYEFGYUXCFJMII-GOSISDBHSA-N 1 1 339.508 4.369 20 30 EIEDMO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000592399237 1037785930 /nfs/dbraw/zinc/78/59/30/1037785930.db2.gz FGAXCACKRZRLNL-WBTXTPOCSA-N 1 1 342.483 4.100 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895790 /nfs/dbraw/zinc/89/57/90/1037895790.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 1 1 325.500 4.206 20 30 EIEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 ZINC000592987359 1037897455 /nfs/dbraw/zinc/89/74/55/1037897455.db2.gz YVJGZIGXSGWNQE-YLJYHZDGSA-N 1 1 334.463 4.012 20 30 EIEDMO Cc1ccccc1C1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CCC1 ZINC000593040234 1037904968 /nfs/dbraw/zinc/90/49/68/1037904968.db2.gz QGIHYJHTEWEGEK-UHFFFAOYSA-N 1 1 344.418 4.086 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489458469 1038055419 /nfs/dbraw/zinc/05/54/19/1038055419.db2.gz DPBNHXNSEVKMTA-KRWDZBQOSA-N 1 1 342.464 4.137 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489458469 1038055443 /nfs/dbraw/zinc/05/54/43/1038055443.db2.gz DPBNHXNSEVKMTA-KRWDZBQOSA-N 1 1 342.464 4.137 20 30 EIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250831 1038081630 /nfs/dbraw/zinc/08/16/30/1038081630.db2.gz VPVHPJVEJYXFCN-VBKZILBWSA-N 1 1 325.431 4.171 20 30 EIEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000570490264 1038083482 /nfs/dbraw/zinc/08/34/82/1038083482.db2.gz BVZLBDJUGZZSBI-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000489492874 1038084504 /nfs/dbraw/zinc/08/45/04/1038084504.db2.gz FAYMIIUUMSAYDU-CQSZACIVSA-N 1 1 348.244 4.040 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000489492874 1038084527 /nfs/dbraw/zinc/08/45/27/1038084527.db2.gz FAYMIIUUMSAYDU-CQSZACIVSA-N 1 1 348.244 4.040 20 30 EIEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593650604 1038117635 /nfs/dbraw/zinc/11/76/35/1038117635.db2.gz WBVLATARDCKCPP-UHFFFAOYSA-N 1 1 342.874 4.316 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OCC(C)C)c1 ZINC000574305167 1038159598 /nfs/dbraw/zinc/15/95/98/1038159598.db2.gz AAEXJCGIKSKULV-UHFFFAOYSA-N 1 1 343.467 4.385 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OCC(C)C)c1 ZINC000574305167 1038159647 /nfs/dbraw/zinc/15/96/47/1038159647.db2.gz AAEXJCGIKSKULV-UHFFFAOYSA-N 1 1 343.467 4.385 20 30 EIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000593942239 1038202079 /nfs/dbraw/zinc/20/20/79/1038202079.db2.gz DGOOWBDTXFZSBF-INIZCTEOSA-N 1 1 349.394 4.008 20 30 EIEDMO CCn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nc2c1cccc2F ZINC000594033600 1038246587 /nfs/dbraw/zinc/24/65/87/1038246587.db2.gz VMTMPIMOFZLVAC-UHFFFAOYSA-N 1 1 348.425 4.236 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000490037941 1038314031 /nfs/dbraw/zinc/31/40/31/1038314031.db2.gz SSMLLSRYVHUFGQ-GOSISDBHSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000490046440 1038320910 /nfs/dbraw/zinc/32/09/10/1038320910.db2.gz CPQWSGHXCSAIAI-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000490046435 1038321257 /nfs/dbraw/zinc/32/12/57/1038321257.db2.gz CPQWSGHXCSAIAI-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000594506243 1038350508 /nfs/dbraw/zinc/35/05/08/1038350508.db2.gz NWQSEZMIUJBROP-UHFFFAOYSA-N 1 1 344.462 4.022 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000615224311 1038748607 /nfs/dbraw/zinc/74/86/07/1038748607.db2.gz BTLDIJCNEPHABY-LJQANCHMSA-N 1 1 326.827 4.175 20 30 EIEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751142 1038813488 /nfs/dbraw/zinc/81/34/88/1038813488.db2.gz JFGFWAHGXQEVLR-UHFFFAOYSA-N 1 1 345.446 4.441 20 30 EIEDMO Cc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(Cl)cc1C#N ZINC000461944860 1038829976 /nfs/dbraw/zinc/82/99/76/1038829976.db2.gz CEONEJIXDRXUKT-GDBMZVCRSA-N 1 1 346.906 4.006 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000505005595 1038878943 /nfs/dbraw/zinc/87/89/43/1038878943.db2.gz MDZMUZYGDQQGCV-UHFFFAOYSA-N 1 1 349.478 4.155 20 30 EIEDMO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OC ZINC000539254966 1038896533 /nfs/dbraw/zinc/89/65/33/1038896533.db2.gz DVDIAUSAYWJRSD-AWEZNQCLSA-N 1 1 342.414 4.346 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000505056424 1038927078 /nfs/dbraw/zinc/92/70/78/1038927078.db2.gz BHFJSIWHIVNJKE-NHCUHLMSSA-N 1 1 349.478 4.372 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000481034215 1038986245 /nfs/dbraw/zinc/98/62/45/1038986245.db2.gz HSUSKJGOPIHAPL-SFHVURJKSA-N 1 1 336.826 4.008 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000481034215 1038986258 /nfs/dbraw/zinc/98/62/58/1038986258.db2.gz HSUSKJGOPIHAPL-SFHVURJKSA-N 1 1 336.826 4.008 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1csc(C(=O)OCC)n1)c1ccccc1 ZINC000539358957 1038995810 /nfs/dbraw/zinc/99/58/10/1038995810.db2.gz ZAXUUGYNDFVKDZ-INIZCTEOSA-N 1 1 330.453 4.117 20 30 EIEDMO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000555334212 1039065976 /nfs/dbraw/zinc/06/59/76/1039065976.db2.gz PZWVNAQRFQZPPX-SMDDNHRTSA-N 1 1 325.225 4.102 20 30 EIEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000537628509 1039067506 /nfs/dbraw/zinc/06/75/06/1039067506.db2.gz LAYKQMLFWANOAY-OAQYLSRUSA-N 1 1 332.451 4.344 20 30 EIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(C#N)cc1F ZINC000552086342 1039109708 /nfs/dbraw/zinc/10/97/08/1039109708.db2.gz DHARKSOLNPPREU-CQSZACIVSA-N 1 1 341.405 4.287 20 30 EIEDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632670 1039272522 /nfs/dbraw/zinc/27/25/22/1039272522.db2.gz JSBMGIMEGFJXGV-RTWAWAEBSA-N 1 1 344.462 4.283 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1OC ZINC000534347019 1039334394 /nfs/dbraw/zinc/33/43/94/1039334394.db2.gz UCGQXZCFFQSFMT-UHFFFAOYSA-N 1 1 326.440 4.066 20 30 EIEDMO C=CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000600172895 1039338662 /nfs/dbraw/zinc/33/86/62/1039338662.db2.gz IEJUGHJTLAVRMC-UHFFFAOYSA-N 1 1 334.847 4.087 20 30 EIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(C)(C)C)sc2C1 ZINC000555549842 1039364453 /nfs/dbraw/zinc/36/44/53/1039364453.db2.gz IJQASRFAPCETOA-CYBMUJFWSA-N 1 1 347.528 4.051 20 30 EIEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(C)c1OCc1ccccn1 ZINC000552316951 1039391986 /nfs/dbraw/zinc/39/19/86/1039391986.db2.gz VHVZAFSNGQZVNV-UHFFFAOYSA-N 1 1 337.467 4.259 20 30 EIEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cc(C)c1OCc1ccccn1 ZINC000552316951 1039391993 /nfs/dbraw/zinc/39/19/93/1039391993.db2.gz VHVZAFSNGQZVNV-UHFFFAOYSA-N 1 1 337.467 4.259 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(C)(C)CCC#N ZINC000092403110 1039539898 /nfs/dbraw/zinc/53/98/98/1039539898.db2.gz NCRCOMJQDJXHCT-UHFFFAOYSA-N 1 1 342.462 4.410 20 30 EIEDMO Cc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc(F)c1F ZINC001143609560 1039546940 /nfs/dbraw/zinc/54/69/40/1039546940.db2.gz CFWIAQXPYVAIAY-UHFFFAOYSA-N 1 1 342.389 4.188 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(F)c(F)c1 ZINC000481589710 1039597523 /nfs/dbraw/zinc/59/75/23/1039597523.db2.gz BBUXQZWWCFAUEM-FQEVSTJZSA-N 1 1 348.437 4.178 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481602323 1039628652 /nfs/dbraw/zinc/62/86/52/1039628652.db2.gz FXBXCUPZMINYHO-SCLBCKFNSA-N 1 1 336.426 4.009 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000481614982 1039628772 /nfs/dbraw/zinc/62/87/72/1039628772.db2.gz MJKQBXJOJQTURM-LJQANCHMSA-N 1 1 344.405 4.427 20 30 EIEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093324678 1039662672 /nfs/dbraw/zinc/66/26/72/1039662672.db2.gz LZBWUEKEBBOCQG-KRWDZBQOSA-N 1 1 338.451 4.138 20 30 EIEDMO N#CCC1(C[NH2+][C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000429786340 1039733440 /nfs/dbraw/zinc/73/34/40/1039733440.db2.gz NBHRFPHMZOVGLG-FQEVSTJZSA-N 1 1 343.430 4.375 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1F ZINC000434710016 1039818984 /nfs/dbraw/zinc/81/89/84/1039818984.db2.gz YXPVKGLFBSQCDH-UHFFFAOYSA-N 1 1 326.415 4.151 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000434711218 1039820030 /nfs/dbraw/zinc/82/00/30/1039820030.db2.gz MYNSHGGEJORWGS-FQEVSTJZSA-N 1 1 333.435 4.032 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)OC)c1 ZINC000508840642 1039826331 /nfs/dbraw/zinc/82/63/31/1039826331.db2.gz DKROBASZNJLQDE-UHFFFAOYSA-N 1 1 335.856 4.376 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)OC)c1 ZINC000508840642 1039826332 /nfs/dbraw/zinc/82/63/32/1039826332.db2.gz DKROBASZNJLQDE-UHFFFAOYSA-N 1 1 335.856 4.376 20 30 EIEDMO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1)c1ccccc1 ZINC000505501230 1039853298 /nfs/dbraw/zinc/85/32/98/1039853298.db2.gz ZRKZGQDTZBYTQU-UGKGYDQZSA-N 1 1 348.490 4.082 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000552979529 1039894456 /nfs/dbraw/zinc/89/44/56/1039894456.db2.gz FKENGXPHVAZBPB-SFHVURJKSA-N 1 1 344.480 4.162 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000552979529 1039894460 /nfs/dbraw/zinc/89/44/60/1039894460.db2.gz FKENGXPHVAZBPB-SFHVURJKSA-N 1 1 344.480 4.162 20 30 EIEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551050071 1039915616 /nfs/dbraw/zinc/91/56/16/1039915616.db2.gz DGPFSUUOJHTRCP-SFTDATJTSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000551050071 1039915630 /nfs/dbraw/zinc/91/56/30/1039915630.db2.gz DGPFSUUOJHTRCP-SFTDATJTSA-N 1 1 336.479 4.177 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000434983018 1039959435 /nfs/dbraw/zinc/95/94/35/1039959435.db2.gz OSMCFYWKRIPQBX-LJQANCHMSA-N 1 1 336.435 4.325 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000434986189 1039982850 /nfs/dbraw/zinc/98/28/50/1039982850.db2.gz NDYUBXWLBJBMOL-OAQYLSRUSA-N 1 1 342.446 4.411 20 30 EIEDMO C=CCC(C)(C)c1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000551136085 1039999804 /nfs/dbraw/zinc/99/98/04/1039999804.db2.gz IMOGUPOAJPZLGE-VXGBXAGGSA-N 1 1 345.409 4.300 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105382 1040071728 /nfs/dbraw/zinc/07/17/28/1040071728.db2.gz KMAYEHGUWGIYRP-UYAOXDASSA-N 1 1 341.499 4.010 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105381 1040072088 /nfs/dbraw/zinc/07/20/88/1040072088.db2.gz KMAYEHGUWGIYRP-QUCCMNQESA-N 1 1 341.499 4.010 20 30 EIEDMO C=C[C@@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000535365048 1040221045 /nfs/dbraw/zinc/22/10/45/1040221045.db2.gz ZWAHHOWGJSUHEO-OALUTQOASA-N 1 1 328.500 4.117 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000535377178 1040231706 /nfs/dbraw/zinc/23/17/06/1040231706.db2.gz YDHRSBZPQSUAEZ-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(F)c1 ZINC000535377178 1040231726 /nfs/dbraw/zinc/23/17/26/1040231726.db2.gz YDHRSBZPQSUAEZ-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000482508153 1040307425 /nfs/dbraw/zinc/30/74/25/1040307425.db2.gz LFPMXVQCDXZXPQ-DZGCQCFKSA-N 1 1 343.389 4.423 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368996 1040355530 /nfs/dbraw/zinc/35/55/30/1040355530.db2.gz YVGLPXFMWBGUSL-INIZCTEOSA-N 1 1 336.435 4.325 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899010 1040394674 /nfs/dbraw/zinc/39/46/74/1040394674.db2.gz MLUSNJXUEFKKJR-MRXNPFEDSA-N 1 1 346.430 4.180 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160479585 1040546833 /nfs/dbraw/zinc/54/68/33/1040546833.db2.gz SATFCRQOPXDUAN-SJPCQFCGSA-N 1 1 349.519 4.179 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000482990284 1040621061 /nfs/dbraw/zinc/62/10/61/1040621061.db2.gz SEQPIPOAKNHGPE-GFCCVEGCSA-N 1 1 349.659 4.200 20 30 EIEDMO C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689236 1040700880 /nfs/dbraw/zinc/70/08/80/1040700880.db2.gz NGYUXZLHKGRICK-KSZLIROESA-N 1 1 349.478 4.341 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000483179535 1040746635 /nfs/dbraw/zinc/74/66/35/1040746635.db2.gz UBNUDWVNLPCLIE-UHFFFAOYSA-N 1 1 333.229 4.324 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293224 1040801684 /nfs/dbraw/zinc/80/16/84/1040801684.db2.gz IBVSEVPKTYFVJN-FZKQIMNGSA-N 1 1 347.384 4.499 20 30 EIEDMO CC[N@H+](CCC1CCN(Cc2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000537754891 1040808907 /nfs/dbraw/zinc/80/89/07/1040808907.db2.gz DADOTAHZPHBNLA-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CC[N@@H+](CCC1CCN(Cc2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000537754891 1040808916 /nfs/dbraw/zinc/80/89/16/1040808916.db2.gz DADOTAHZPHBNLA-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812233 /nfs/dbraw/zinc/81/22/33/1040812233.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812264 /nfs/dbraw/zinc/81/22/64/1040812264.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812267 /nfs/dbraw/zinc/81/22/67/1040812267.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CCC)C2)cc1Cl ZINC000539821368 1040814848 /nfs/dbraw/zinc/81/48/48/1040814848.db2.gz CDBHFVNYEVCJNQ-QGZVFWFLSA-N 1 1 336.907 4.069 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000515508453 1040829379 /nfs/dbraw/zinc/82/93/79/1040829379.db2.gz BWMCSEAMRDLRBS-UHFFFAOYSA-N 1 1 341.282 4.016 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000515508453 1040829387 /nfs/dbraw/zinc/82/93/87/1040829387.db2.gz BWMCSEAMRDLRBS-UHFFFAOYSA-N 1 1 341.282 4.016 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000462696075 1040844136 /nfs/dbraw/zinc/84/41/36/1040844136.db2.gz RDNPVWFCUFYROM-CYBMUJFWSA-N 1 1 331.872 4.156 20 30 EIEDMO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000515551782 1040851120 /nfs/dbraw/zinc/85/11/20/1040851120.db2.gz SAOJPANFHVWJEC-INIZCTEOSA-N 1 1 348.494 4.414 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccc(OC)cc2)ccc1OC ZINC000505756468 1040871503 /nfs/dbraw/zinc/87/15/03/1040871503.db2.gz LVQUKGXOQVQMLC-UHFFFAOYSA-N 1 1 341.451 4.291 20 30 EIEDMO CC[NH+](CC)CCCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000483706666 1040977576 /nfs/dbraw/zinc/97/75/76/1040977576.db2.gz FMYWKMHKFLYWNS-UHFFFAOYSA-N 1 1 331.479 4.031 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436238718 1040988124 /nfs/dbraw/zinc/98/81/24/1040988124.db2.gz GKTXPQSKFKYYDU-UHFFFAOYSA-N 1 1 346.824 4.489 20 30 EIEDMO C[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280464 1041025574 /nfs/dbraw/zinc/02/55/74/1041025574.db2.gz DTQFNGGYTLGFLM-BEFAXECRSA-N 1 1 329.463 4.145 20 30 EIEDMO Cc1ccc2c(C)cc(N3CCO[C@H](c4cccc(C#N)c4)C3)[nH+]c2c1 ZINC000460962612 1041070464 /nfs/dbraw/zinc/07/04/64/1041070464.db2.gz ZMOYKHJXDJGXPC-NRFANRHFSA-N 1 1 343.430 4.301 20 30 EIEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cccc(C#N)c1F ZINC000425514319 1041086595 /nfs/dbraw/zinc/08/65/95/1041086595.db2.gz QBFXYFAFLAVJRX-UHFFFAOYSA-N 1 1 332.806 4.384 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000484013854 1041093263 /nfs/dbraw/zinc/09/32/63/1041093263.db2.gz FJIBXVIYWOHKOV-AWEZNQCLSA-N 1 1 325.362 4.134 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000484013858 1041094708 /nfs/dbraw/zinc/09/47/08/1041094708.db2.gz FJIBXVIYWOHKOV-CQSZACIVSA-N 1 1 325.362 4.134 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000538287237 1041222997 /nfs/dbraw/zinc/22/29/97/1041222997.db2.gz WJXYBJJSFUOJTD-IRXDYDNUSA-N 1 1 349.544 4.004 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000538287236 1041223842 /nfs/dbraw/zinc/22/38/42/1041223842.db2.gz WJXYBJJSFUOJTD-IAGOWNOFSA-N 1 1 349.544 4.004 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000538288849 1041224681 /nfs/dbraw/zinc/22/46/81/1041224681.db2.gz QZHAEZIJTPYGAN-KRWDZBQOSA-N 1 1 331.504 4.071 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000538389008 1041306281 /nfs/dbraw/zinc/30/62/81/1041306281.db2.gz OPPAAOHQHFATAX-MRXNPFEDSA-N 1 1 336.435 4.229 20 30 EIEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1C#N ZINC000463209493 1041421765 /nfs/dbraw/zinc/42/17/65/1041421765.db2.gz JOCNQOBLXKHKMW-JWOSDPRPSA-N 1 1 326.484 4.018 20 30 EIEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1C#N ZINC000463209492 1041422612 /nfs/dbraw/zinc/42/26/12/1041422612.db2.gz JOCNQOBLXKHKMW-CGRMTHRGSA-N 1 1 326.484 4.018 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201565 1041428456 /nfs/dbraw/zinc/42/84/56/1041428456.db2.gz MACQGMYIZCHNAN-DMSXTEQDSA-N 1 1 346.902 4.363 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739895 1041448300 /nfs/dbraw/zinc/44/83/00/1041448300.db2.gz QUZBYWZWZYLNHW-OAHLLOKOSA-N 1 1 330.453 4.065 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739895 1041448308 /nfs/dbraw/zinc/44/83/08/1041448308.db2.gz QUZBYWZWZYLNHW-OAHLLOKOSA-N 1 1 330.453 4.065 20 30 EIEDMO CCCC1CCC([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000484858330 1041470378 /nfs/dbraw/zinc/47/03/78/1041470378.db2.gz DUOVYBHPEULRHG-UHFFFAOYSA-N 1 1 333.501 4.239 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000554879203 1041476319 /nfs/dbraw/zinc/47/63/19/1041476319.db2.gz MXNXPDODHPKRJB-UHFFFAOYSA-N 1 1 328.843 4.464 20 30 EIEDMO C[C@H]1CSCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732228 1041503930 /nfs/dbraw/zinc/50/39/30/1041503930.db2.gz VVAWPFGPSNAZKX-INIZCTEOSA-N 1 1 338.476 4.075 20 30 EIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000538751762 1041528565 /nfs/dbraw/zinc/52/85/65/1041528565.db2.gz LYHDWGVWTNYDIM-HXUWFJFHSA-N 1 1 337.463 4.290 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516690451 1041709886 /nfs/dbraw/zinc/70/98/86/1041709886.db2.gz PJPJWWRSQMRYHQ-HYVJGQCMSA-N 1 1 345.490 4.046 20 30 EIEDMO CCCC[C@@H](CC)CN1CCO[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183635 1041777726 /nfs/dbraw/zinc/77/77/26/1041777726.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@@H](CC)C[N@@H+]1CCO[C@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183635 1041777733 /nfs/dbraw/zinc/77/77/33/1041777733.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@@H](CC)C[N@H+]1CCO[C@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183635 1041777735 /nfs/dbraw/zinc/77/77/35/1041777735.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 1 1 349.563 4.063 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437407630 1041791150 /nfs/dbraw/zinc/79/11/50/1041791150.db2.gz HLJMPPHSOQNADW-QGZVFWFLSA-N 1 1 328.362 4.497 20 30 EIEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000437639657 1041868627 /nfs/dbraw/zinc/86/86/27/1041868627.db2.gz JOLBEYBWACJKAM-SFHVURJKSA-N 1 1 348.368 4.112 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000541328106 1041893824 /nfs/dbraw/zinc/89/38/24/1041893824.db2.gz XYSYIEBLUAEJBG-LJQANCHMSA-N 1 1 326.827 4.059 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCOCc3ccccc3)CC2)cc1 ZINC000541583668 1042021649 /nfs/dbraw/zinc/02/16/49/1042021649.db2.gz WDMHMCOPUDJMJS-UHFFFAOYSA-N 1 1 332.447 4.254 20 30 EIEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000517519708 1042059366 /nfs/dbraw/zinc/05/93/66/1042059366.db2.gz LLWLPKWXDFDHNZ-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2ccccc2C#N)C[C@H]2CCCO2)cc1 ZINC000464769592 1042149124 /nfs/dbraw/zinc/14/91/24/1042149124.db2.gz CUCJCOWLOUUJRZ-JOCHJYFZSA-N 1 1 334.463 4.090 20 30 EIEDMO Cc1cnn(CCCCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464810874 1042173534 /nfs/dbraw/zinc/17/35/34/1042173534.db2.gz GSFRGPPJWCYUEH-RTWAWAEBSA-N 1 1 336.483 4.134 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302999530 1042231717 /nfs/dbraw/zinc/23/17/17/1042231717.db2.gz XXIVPQGSMQOZSM-ZDUSSCGKSA-N 1 1 343.298 4.238 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302999530 1042231721 /nfs/dbraw/zinc/23/17/21/1042231721.db2.gz XXIVPQGSMQOZSM-ZDUSSCGKSA-N 1 1 343.298 4.238 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517878923 1042246191 /nfs/dbraw/zinc/24/61/91/1042246191.db2.gz GQFYVDYYQPYYTG-FQEVSTJZSA-N 1 1 349.434 4.163 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1F ZINC000438834095 1042375448 /nfs/dbraw/zinc/37/54/48/1042375448.db2.gz RCXXXQRLWVBPCX-UHFFFAOYSA-N 1 1 344.405 4.290 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000439010341 1042459254 /nfs/dbraw/zinc/45/92/54/1042459254.db2.gz NFSMVIFGPASCBZ-NRSPTQNISA-N 1 1 340.511 4.393 20 30 EIEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000506469043 1042473013 /nfs/dbraw/zinc/47/30/13/1042473013.db2.gz GTXLRVAMHGPGHT-IBGZPJMESA-N 1 1 334.463 4.474 20 30 EIEDMO CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030149046 1042492253 /nfs/dbraw/zinc/49/22/53/1042492253.db2.gz ODYYHMWWQJWAKH-CQSZACIVSA-N 1 1 347.528 4.194 20 30 EIEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270598 1042499603 /nfs/dbraw/zinc/49/96/03/1042499603.db2.gz NOLXJZJQILDXAV-CQSZACIVSA-N 1 1 344.503 4.151 20 30 EIEDMO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906960 1042505013 /nfs/dbraw/zinc/50/50/13/1042505013.db2.gz CKNAKYIPJPOKNG-INIZCTEOSA-N 1 1 337.442 4.013 20 30 EIEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000271931779 1042524726 /nfs/dbraw/zinc/52/47/26/1042524726.db2.gz ILODCUWNPDAJCQ-BBATYDOGSA-N 1 1 334.341 4.014 20 30 EIEDMO Cc1ccccc1[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000271991591 1042607969 /nfs/dbraw/zinc/60/79/69/1042607969.db2.gz GHVPCEZSLZNVKB-FQEVSTJZSA-N 1 1 344.418 4.158 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(Br)c(F)c1 ZINC000426386644 1042623656 /nfs/dbraw/zinc/62/36/56/1042623656.db2.gz YKGNKDRAZCRTOH-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Br)c(F)c1 ZINC000426386644 1042623672 /nfs/dbraw/zinc/62/36/72/1042623672.db2.gz YKGNKDRAZCRTOH-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC000492607225 1042703980 /nfs/dbraw/zinc/70/39/80/1042703980.db2.gz MSQYBHWUNHTVPK-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO CCOc1cc(C[N@@H+](C)CCCC(C)(C)C#N)ccc1OC(F)F ZINC000174818759 1042714949 /nfs/dbraw/zinc/71/49/49/1042714949.db2.gz NAZCZEFJLAWRKI-UHFFFAOYSA-N 1 1 340.414 4.448 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000518848484 1042716172 /nfs/dbraw/zinc/71/61/72/1042716172.db2.gz IOPCGWFMSKCCKM-SFHVURJKSA-N 1 1 347.499 4.430 20 30 EIEDMO Cc1cc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996976 1042740809 /nfs/dbraw/zinc/74/08/09/1042740809.db2.gz PTENJQWDGVXKQD-GOSISDBHSA-N 1 1 333.479 4.182 20 30 EIEDMO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426504772 1042781404 /nfs/dbraw/zinc/78/14/04/1042781404.db2.gz PKRBMPIWRHMFMT-HNNXBMFYSA-N 1 1 341.480 4.167 20 30 EIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426504772 1042781413 /nfs/dbraw/zinc/78/14/13/1042781413.db2.gz PKRBMPIWRHMFMT-HNNXBMFYSA-N 1 1 341.480 4.167 20 30 EIEDMO CC(C)(C#N)CCCN1CC[N@@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000176268346 1042803621 /nfs/dbraw/zinc/80/36/21/1042803621.db2.gz SVRABMFYVHDKKF-UHFFFAOYSA-N 1 1 332.536 4.043 20 30 EIEDMO CC(C)(C#N)CCCN1CC[N@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000176268346 1042803622 /nfs/dbraw/zinc/80/36/22/1042803622.db2.gz SVRABMFYVHDKKF-UHFFFAOYSA-N 1 1 332.536 4.043 20 30 EIEDMO CC(C)(C#N)CCCN1CC[N@@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000176268346 1042803624 /nfs/dbraw/zinc/80/36/24/1042803624.db2.gz SVRABMFYVHDKKF-UHFFFAOYSA-N 1 1 332.536 4.043 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000322985577 1042839350 /nfs/dbraw/zinc/83/93/50/1042839350.db2.gz XFZPTLQBVRVUMU-QRQLOZEOSA-N 1 1 332.875 4.117 20 30 EIEDMO C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000311384584 1042858948 /nfs/dbraw/zinc/85/89/48/1042858948.db2.gz WGXXYCBVARLARB-WIYYLYMNSA-N 1 1 349.478 4.444 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441656893 1042962389 /nfs/dbraw/zinc/96/23/89/1042962389.db2.gz IAHNFPIJEUENME-RTWAWAEBSA-N 1 1 332.447 4.084 20 30 EIEDMO C[C@@H]1CC(NCc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006955 1043010728 /nfs/dbraw/zinc/01/07/28/1043010728.db2.gz PSTVPPMDGOVSCM-QZTJIDSGSA-N 1 1 333.479 4.089 20 30 EIEDMO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182852995 1043034710 /nfs/dbraw/zinc/03/47/10/1043034710.db2.gz VZFLAUAVHNOAGJ-ZWKOTPCHSA-N 1 1 335.536 4.027 20 30 EIEDMO C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182853016 1043034790 /nfs/dbraw/zinc/03/47/90/1043034790.db2.gz VZFLAUAVHNOAGJ-QZTJIDSGSA-N 1 1 335.536 4.027 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000075644232 1043071110 /nfs/dbraw/zinc/07/11/10/1043071110.db2.gz CMTDQNBWDNVMKA-IBGZPJMESA-N 1 1 344.418 4.254 20 30 EIEDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075638323 1043071680 /nfs/dbraw/zinc/07/16/80/1043071680.db2.gz ZEZVEAHXCWCBJM-OAHLLOKOSA-N 1 1 332.407 4.110 20 30 EIEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075638323 1043071694 /nfs/dbraw/zinc/07/16/94/1043071694.db2.gz ZEZVEAHXCWCBJM-OAHLLOKOSA-N 1 1 332.407 4.110 20 30 EIEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599550 1043118574 /nfs/dbraw/zinc/11/85/74/1043118574.db2.gz LVVNPXFEUPQXQO-OLZOCXBDSA-N 1 1 333.863 4.049 20 30 EIEDMO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507859576 1043158341 /nfs/dbraw/zinc/15/83/41/1043158341.db2.gz MMPSEJMXBMAZOA-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)c(F)c1 ZINC000427874185 1043242724 /nfs/dbraw/zinc/24/27/24/1043242724.db2.gz PWFBTJASRSBSLM-LLVKDONJSA-N 1 1 342.805 4.088 20 30 EIEDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397211 1043252960 /nfs/dbraw/zinc/25/29/60/1043252960.db2.gz XGHACMCMMXDSCG-UHFFFAOYSA-N 1 1 330.435 4.221 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1OC ZINC000520906144 1043432501 /nfs/dbraw/zinc/43/25/01/1043432501.db2.gz HSPSZLBYRZRPMH-CQSZACIVSA-N 1 1 325.399 4.127 20 30 EIEDMO C[C@@H]1CC([NH2+]CCc2ccc(C#N)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012997 1043461729 /nfs/dbraw/zinc/46/17/29/1043461729.db2.gz GRTHPYSPQZSCGR-RTBURBONSA-N 1 1 347.506 4.132 20 30 EIEDMO Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)CC2 ZINC000674459068 1043696926 /nfs/dbraw/zinc/69/69/26/1043696926.db2.gz GLIURRAOVCRWHE-XQQFMLRXSA-N 1 1 341.270 4.486 20 30 EIEDMO Fc1ccc2c(c1)[C@@H]([N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)CC2 ZINC000674459068 1043696935 /nfs/dbraw/zinc/69/69/35/1043696935.db2.gz GLIURRAOVCRWHE-XQQFMLRXSA-N 1 1 341.270 4.486 20 30 EIEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211891 1043716313 /nfs/dbraw/zinc/71/63/13/1043716313.db2.gz HBMGLKYGOVLZKV-UHFFFAOYSA-N 1 1 340.442 4.429 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000190800457 1043738870 /nfs/dbraw/zinc/73/88/70/1043738870.db2.gz DYXZBHJQVCZMIC-VIFPVBQESA-N 1 1 326.202 4.193 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccco2)Cc2cccs2)ccc1C#N ZINC000442808064 1043840171 /nfs/dbraw/zinc/84/01/71/1043840171.db2.gz GJQMTVNFCVHXIN-UHFFFAOYSA-N 1 1 338.432 4.424 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccco2)Cc2cccs2)ccc1C#N ZINC000442808064 1043840173 /nfs/dbraw/zinc/84/01/73/1043840173.db2.gz GJQMTVNFCVHXIN-UHFFFAOYSA-N 1 1 338.432 4.424 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000314819521 1043976136 /nfs/dbraw/zinc/97/61/36/1043976136.db2.gz QHRZJBUHNDANKY-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989077 1044063379 /nfs/dbraw/zinc/06/33/79/1044063379.db2.gz NXUGLFUIYQGYGD-FQEVSTJZSA-N 1 1 342.389 4.442 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278839 1044197054 /nfs/dbraw/zinc/19/70/54/1044197054.db2.gz YXWGKWQTGYFJKP-BJLQDIEVSA-N 1 1 328.500 4.006 20 30 EIEDMO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104128 1044220155 /nfs/dbraw/zinc/22/01/55/1044220155.db2.gz GTLPRCMKKQVHHK-QZTJIDSGSA-N 1 1 333.479 4.434 20 30 EIEDMO Cc1cnc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C2CC2)s1 ZINC000174545086 1044290929 /nfs/dbraw/zinc/29/09/29/1044290929.db2.gz BBQUUZHDYLJKRS-SFHVURJKSA-N 1 1 341.480 4.375 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](COCC)C2)c1=S ZINC000733787140 1044311594 /nfs/dbraw/zinc/31/15/94/1044311594.db2.gz GWQAGLHFNFHIAQ-MRXNPFEDSA-N 1 1 345.512 4.064 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](COCC)C2)c1=S ZINC000733787140 1044311607 /nfs/dbraw/zinc/31/16/07/1044311607.db2.gz GWQAGLHFNFHIAQ-MRXNPFEDSA-N 1 1 345.512 4.064 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC000116877170 1044312033 /nfs/dbraw/zinc/31/20/33/1044312033.db2.gz XYYZFZAKQOGSMK-UHFFFAOYSA-N 1 1 336.435 4.130 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000042742086 1044345490 /nfs/dbraw/zinc/34/54/90/1044345490.db2.gz OCPOCAHAEIBOBE-QGZVFWFLSA-N 1 1 349.478 4.451 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000042742086 1044345500 /nfs/dbraw/zinc/34/55/00/1044345500.db2.gz OCPOCAHAEIBOBE-QGZVFWFLSA-N 1 1 349.478 4.451 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccc4ccccc4c3)CCO2)c1 ZINC000761756958 1044441736 /nfs/dbraw/zinc/44/17/36/1044441736.db2.gz DRVXFYPEBIVVPC-HSZRJFAPSA-N 1 1 342.442 4.327 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)n2)cc1 ZINC000733992743 1044449866 /nfs/dbraw/zinc/44/98/66/1044449866.db2.gz UHQWNIHNDRWKGS-NRFANRHFSA-N 1 1 332.451 4.202 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760422 1044470487 /nfs/dbraw/zinc/47/04/87/1044470487.db2.gz VHPUPLCZUHOUMT-LEWJYISDSA-N 1 1 336.410 4.148 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760422 1044470494 /nfs/dbraw/zinc/47/04/94/1044470494.db2.gz VHPUPLCZUHOUMT-LEWJYISDSA-N 1 1 336.410 4.148 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543394998 1044501879 /nfs/dbraw/zinc/50/18/79/1044501879.db2.gz TUGUAEORTHCEDI-UXHICEINSA-N 1 1 348.475 4.206 20 30 EIEDMO C[C@H]1CC(N=Nc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000734295620 1044526477 /nfs/dbraw/zinc/52/64/77/1044526477.db2.gz FQRPQJRHOIYIJD-INIZCTEOSA-N 1 1 345.450 4.082 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735305936 1044789528 /nfs/dbraw/zinc/78/95/28/1044789528.db2.gz FIBQGBAANOBYTF-UHFFFAOYSA-N 1 1 336.769 4.153 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735305936 1044789549 /nfs/dbraw/zinc/78/95/49/1044789549.db2.gz FIBQGBAANOBYTF-UHFFFAOYSA-N 1 1 336.769 4.153 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000735309768 1044797050 /nfs/dbraw/zinc/79/70/50/1044797050.db2.gz LIGCIQYIQJXZHK-UHFFFAOYSA-N 1 1 348.874 4.166 20 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/nfs/dbraw/zinc/93/34/26/1044933426.db2.gz ZRPGFSAKTHJUBO-OAHLLOKOSA-N 1 1 327.415 4.132 20 30 EIEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCC(C)(C)C#N ZINC000429007571 1045002823 /nfs/dbraw/zinc/00/28/23/1045002823.db2.gz VSSYPAUXMJULSB-CQSZACIVSA-N 1 1 337.870 4.320 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3cc(C#N)cs3)cc2)C1 ZINC000156108148 1045003646 /nfs/dbraw/zinc/00/36/46/1045003646.db2.gz QTAZWJWDIBWAFG-HNNXBMFYSA-N 1 1 325.481 4.464 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC000156105644 1045005000 /nfs/dbraw/zinc/00/50/00/1045005000.db2.gz ULMWWDLROJLWLN-OAHLLOKOSA-N 1 1 325.481 4.464 20 30 EIEDMO CC(=[NH+]Nc1cccc(Cl)c1C)c1ccc(N2CCOCC2)cc1 ZINC000915051014 1045010927 /nfs/dbraw/zinc/01/09/27/1045010927.db2.gz JQRJEHGLDVVHGZ-UHFFFAOYSA-N 1 1 343.858 4.321 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272268134 1045014908 /nfs/dbraw/zinc/01/49/08/1045014908.db2.gz XXGGIPPHBXCPSE-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272268134 1045014915 /nfs/dbraw/zinc/01/49/15/1045014915.db2.gz XXGGIPPHBXCPSE-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272268134 1045014924 /nfs/dbraw/zinc/01/49/24/1045014924.db2.gz XXGGIPPHBXCPSE-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125753917 1045044964 /nfs/dbraw/zinc/04/49/64/1045044964.db2.gz WOKXKJKHSIFYSF-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000303657020 1045047847 /nfs/dbraw/zinc/04/78/47/1045047847.db2.gz VOTAIRGRXQBICO-PZJWPPBQSA-N 1 1 343.515 4.294 20 30 EIEDMO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000161895484 1045180205 /nfs/dbraw/zinc/18/02/05/1045180205.db2.gz ADQLIHUPVFYCBG-RDTXWAMCSA-N 1 1 349.400 4.030 20 30 EIEDMO N#CCCn1cc(C(=O)C[NH+]2C3CCCC2CCC3)c2ccccc21 ZINC000673755070 1045250127 /nfs/dbraw/zinc/25/01/27/1045250127.db2.gz QFMLMIRRHSXIRO-UHFFFAOYSA-N 1 1 335.451 4.145 20 30 EIEDMO C=CCOCCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428819452 1045276078 /nfs/dbraw/zinc/27/60/78/1045276078.db2.gz RXGRRULBZKVYTM-WMLDXEAASA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428819452 1045276087 /nfs/dbraw/zinc/27/60/87/1045276087.db2.gz RXGRRULBZKVYTM-WMLDXEAASA-N 1 1 343.389 4.060 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371289 1045290305 /nfs/dbraw/zinc/29/03/05/1045290305.db2.gz JEUCGCKNZYSTIX-PZJWPPBQSA-N 1 1 338.426 4.297 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1coc(-c2cccs2)n1 ZINC000611391653 1045297769 /nfs/dbraw/zinc/29/77/69/1045297769.db2.gz PJELVMGCSYCSDN-QGZVFWFLSA-N 1 1 335.432 4.442 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000611394709 1045300535 /nfs/dbraw/zinc/30/05/35/1045300535.db2.gz XZKZQABQHVSBGC-INIZCTEOSA-N 1 1 334.316 4.282 20 30 EIEDMO CC[N@H+](Cc1nc2c(s1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000611453624 1045311060 /nfs/dbraw/zinc/31/10/60/1045311060.db2.gz NJFXVVSTBBHJTL-AWEZNQCLSA-N 1 1 325.481 4.477 20 30 EIEDMO CC[N@@H+](Cc1nc2c(s1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000611453624 1045311070 /nfs/dbraw/zinc/31/10/70/1045311070.db2.gz NJFXVVSTBBHJTL-AWEZNQCLSA-N 1 1 325.481 4.477 20 30 EIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccc3c(c2)COC3)c2ccccn21 ZINC000762601020 1045311161 /nfs/dbraw/zinc/31/11/61/1045311161.db2.gz XLJNIWVEHFWQOH-HJWRWDBZSA-N 1 1 332.403 4.384 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526253 1045320259 /nfs/dbraw/zinc/32/02/59/1045320259.db2.gz FVGFICUZCWZRQR-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526253 1045320269 /nfs/dbraw/zinc/32/02/69/1045320269.db2.gz FVGFICUZCWZRQR-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526253 1045320274 /nfs/dbraw/zinc/32/02/74/1045320274.db2.gz FVGFICUZCWZRQR-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ncc1F)c1cccc(C#N)c1 ZINC000762758588 1045348280 /nfs/dbraw/zinc/34/82/80/1045348280.db2.gz QHSXHPKJLIVMCF-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO C=CCCCCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC001169969733 1045546175 /nfs/dbraw/zinc/54/61/75/1045546175.db2.gz ADRRJWMGTWVMHO-UHFFFAOYSA-N 1 1 332.307 4.051 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1 ZINC000790697522 1045561428 /nfs/dbraw/zinc/56/14/28/1045561428.db2.gz DZGFATFOOIOGRE-AWEZNQCLSA-N 1 1 329.827 4.211 20 30 EIEDMO CC(=O)c1ccc(C#N)c(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000347452727 1045646236 /nfs/dbraw/zinc/64/62/36/1045646236.db2.gz RHWCAZQKOFRQDE-MRXNPFEDSA-N 1 1 335.451 4.083 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3c(O)ccc4ccncc43)CC2)cc1 ZINC000767987320 1045693304 /nfs/dbraw/zinc/69/33/04/1045693304.db2.gz PRIONRFVZGRASZ-UHFFFAOYSA-N 1 1 341.414 4.101 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000768258939 1045766510 /nfs/dbraw/zinc/76/65/10/1045766510.db2.gz ZAHYSWZOUURXOX-KRWDZBQOSA-N 1 1 349.478 4.208 20 30 EIEDMO CC(C)c1ccc(C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000763232781 1045787420 /nfs/dbraw/zinc/78/74/20/1045787420.db2.gz HXJWTXVXMIQSDN-QFIPXVFZSA-N 1 1 334.463 4.380 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272704107 1045810945 /nfs/dbraw/zinc/81/09/45/1045810945.db2.gz TVEABYPYRCTFKZ-DAYGRLMNSA-N 1 1 329.463 4.001 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704107 1045810947 /nfs/dbraw/zinc/81/09/47/1045810947.db2.gz TVEABYPYRCTFKZ-DAYGRLMNSA-N 1 1 329.463 4.001 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000246485382 1045817235 /nfs/dbraw/zinc/81/72/35/1045817235.db2.gz ROEHAZHKFRGEIW-BVYCBKJFSA-N 1 1 333.479 4.142 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000246485382 1045817240 /nfs/dbraw/zinc/81/72/40/1045817240.db2.gz ROEHAZHKFRGEIW-BVYCBKJFSA-N 1 1 333.479 4.142 20 30 EIEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768919735 1045860198 /nfs/dbraw/zinc/86/01/98/1045860198.db2.gz BPGFFJHOSYDXQZ-GOSISDBHSA-N 1 1 338.451 4.187 20 30 EIEDMO O[C@H](C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239648 1045880487 /nfs/dbraw/zinc/88/04/87/1045880487.db2.gz CYBOKXMQNOEXSX-WOJBJXKFSA-N 1 1 339.504 4.468 20 30 EIEDMO O[C@@H](C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239646 1045880888 /nfs/dbraw/zinc/88/08/88/1045880888.db2.gz CYBOKXMQNOEXSX-UXHICEINSA-N 1 1 339.504 4.468 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000769145640 1045883747 /nfs/dbraw/zinc/88/37/47/1045883747.db2.gz LFCXMTAPUTTYBQ-UHFFFAOYSA-N 1 1 347.393 4.043 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000769145640 1045883755 /nfs/dbraw/zinc/88/37/55/1045883755.db2.gz LFCXMTAPUTTYBQ-UHFFFAOYSA-N 1 1 347.393 4.043 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000769146456 1045884344 /nfs/dbraw/zinc/88/43/44/1045884344.db2.gz ZXBOWOGPRWKSLR-UHFFFAOYSA-N 1 1 336.410 4.144 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000769146456 1045884338 /nfs/dbraw/zinc/88/43/38/1045884338.db2.gz ZXBOWOGPRWKSLR-UHFFFAOYSA-N 1 1 336.410 4.144 20 30 EIEDMO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769210713 1045893166 /nfs/dbraw/zinc/89/31/66/1045893166.db2.gz IJKSQIKWXOSMQG-JTHBVZDNSA-N 1 1 349.474 4.298 20 30 EIEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000250096609 1045910794 /nfs/dbraw/zinc/91/07/94/1045910794.db2.gz QUQXIDJDVLPUOD-FZKQIMNGSA-N 1 1 327.453 4.080 20 30 EIEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000250096609 1045910800 /nfs/dbraw/zinc/91/08/00/1045910800.db2.gz QUQXIDJDVLPUOD-FZKQIMNGSA-N 1 1 327.453 4.080 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769310559 1045917217 /nfs/dbraw/zinc/91/72/17/1045917217.db2.gz XVINDCIJGJNZMC-GCJKJVERSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769310559 1045917236 /nfs/dbraw/zinc/91/72/36/1045917236.db2.gz XVINDCIJGJNZMC-GCJKJVERSA-N 1 1 335.447 4.051 20 30 EIEDMO C=C(C)C[N@H+](CCOCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC001170206173 1045926358 /nfs/dbraw/zinc/92/63/58/1045926358.db2.gz RMHDKWVGWWICAK-UHFFFAOYSA-N 1 1 327.472 4.059 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccccc3Cl)n2c1 ZINC000153400795 1045938197 /nfs/dbraw/zinc/93/81/97/1045938197.db2.gz GIXVSZRUEWUQJR-GOSISDBHSA-N 1 1 336.826 4.196 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3ccccc3Cl)n2c1 ZINC000153400795 1045938207 /nfs/dbraw/zinc/93/82/07/1045938207.db2.gz GIXVSZRUEWUQJR-GOSISDBHSA-N 1 1 336.826 4.196 20 30 EIEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614925358 1045946434 /nfs/dbraw/zinc/94/64/34/1045946434.db2.gz ZLAPDFFKCDLGNG-QGZVFWFLSA-N 1 1 340.389 4.031 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000769498607 1045998647 /nfs/dbraw/zinc/99/86/47/1045998647.db2.gz MSVFMKPFUVVKOY-UHFFFAOYSA-N 1 1 333.435 4.415 20 30 EIEDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769549312 1046016627 /nfs/dbraw/zinc/01/66/27/1046016627.db2.gz PAKXOHUXBREXEM-WOJBJXKFSA-N 1 1 336.435 4.063 20 30 EIEDMO COc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763370400 1046017476 /nfs/dbraw/zinc/01/74/76/1046017476.db2.gz PGIUQENUCOHSAS-UHFFFAOYSA-N 1 1 329.831 4.395 20 30 EIEDMO C[N@@H+](CCOc1ccccc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386426 1046026121 /nfs/dbraw/zinc/02/61/21/1046026121.db2.gz GEQYSPQNZPXJCI-UHFFFAOYSA-N 1 1 334.463 4.401 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001170395742 1046029074 /nfs/dbraw/zinc/02/90/74/1046029074.db2.gz OJBGPWHNYDEJIP-JSRJAPPDSA-N 1 1 338.495 4.139 20 30 EIEDMO C[C@H]1CC2(C[N@H+]1CCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496802495 1046067989 /nfs/dbraw/zinc/06/79/89/1046067989.db2.gz ITLJCDUIOUQRHY-INIZCTEOSA-N 1 1 349.519 4.038 20 30 EIEDMO C[C@@H]1CC2(C[N@H+]1CCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496802496 1046068569 /nfs/dbraw/zinc/06/85/69/1046068569.db2.gz ITLJCDUIOUQRHY-MRXNPFEDSA-N 1 1 349.519 4.038 20 30 EIEDMO CCCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000763407068 1046133424 /nfs/dbraw/zinc/13/34/24/1046133424.db2.gz MIEBYOPHNQRLNR-VQIMIIECSA-N 1 1 326.440 4.356 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000763411707 1046144479 /nfs/dbraw/zinc/14/44/79/1046144479.db2.gz ULDKNPQUHGAWAP-VGSWGCGISA-N 1 1 334.463 4.455 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578979 1046192840 /nfs/dbraw/zinc/19/28/40/1046192840.db2.gz GPZWIFUBJLRLPS-SFHVURJKSA-N 1 1 342.389 4.429 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 ZINC000770571183 1046224365 /nfs/dbraw/zinc/22/43/65/1046224365.db2.gz BXSXMFAISDNNCK-OQFOIZHKSA-N 1 1 331.350 4.088 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000770718528 1046254388 /nfs/dbraw/zinc/25/43/88/1046254388.db2.gz CNPJLYXYZMSKKJ-UHFFFAOYSA-N 1 1 325.843 4.102 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(Br)n1 ZINC000794306185 1046396531 /nfs/dbraw/zinc/39/65/31/1046396531.db2.gz QXNWRYUHLLPSSQ-UHFFFAOYSA-N 1 1 331.257 4.075 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+](CCc3ccccc3)C3CCCC3)n2c1 ZINC000508775876 1046568802 /nfs/dbraw/zinc/56/88/02/1046568802.db2.gz VDENPCQLHDMDAV-UHFFFAOYSA-N 1 1 344.462 4.193 20 30 EIEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000772136811 1046572032 /nfs/dbraw/zinc/57/20/32/1046572032.db2.gz LFJVEZHKLOKQPS-KRWDZBQOSA-N 1 1 331.341 4.176 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CCCCC2)CC1 ZINC000917059538 1046598936 /nfs/dbraw/zinc/59/89/36/1046598936.db2.gz IMAKRNRDNHUIAQ-MRXNPFEDSA-N 1 1 339.483 4.178 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000917063780 1046615313 /nfs/dbraw/zinc/61/53/13/1046615313.db2.gz JILWEJBSZAUODA-HXUWFJFHSA-N 1 1 338.426 4.173 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)cc1OC ZINC000536667309 1046643774 /nfs/dbraw/zinc/64/37/74/1046643774.db2.gz WVCJMZWMLJHMHZ-SJORKVTESA-N 1 1 335.513 4.366 20 30 EIEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC000536683420 1046684189 /nfs/dbraw/zinc/68/41/89/1046684189.db2.gz PXBBLEPCHRWUPU-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO CCCCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917099936 1046709600 /nfs/dbraw/zinc/70/96/00/1046709600.db2.gz GKZOEWMMQZWBCL-OAHLLOKOSA-N 1 1 343.496 4.373 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459516670 1046741716 /nfs/dbraw/zinc/74/17/16/1046741716.db2.gz CHFBWIHAXSDKOW-KRWDZBQOSA-N 1 1 343.515 4.392 20 30 EIEDMO C=CCC[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CC1 ZINC000786473381 1046839472 /nfs/dbraw/zinc/83/94/72/1046839472.db2.gz CYSFYFKFJUNVER-HNNXBMFYSA-N 1 1 347.365 4.107 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCCCC2)nc1C1CC1 ZINC000917478318 1046900664 /nfs/dbraw/zinc/90/06/64/1046900664.db2.gz MZPOCHCZLHRSQV-KRWDZBQOSA-N 1 1 346.544 4.480 20 30 EIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCCCC2)nc1C1CC1 ZINC000917478318 1046900682 /nfs/dbraw/zinc/90/06/82/1046900682.db2.gz MZPOCHCZLHRSQV-KRWDZBQOSA-N 1 1 346.544 4.480 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)ccc1OC(C)C ZINC000537050148 1046916093 /nfs/dbraw/zinc/91/60/93/1046916093.db2.gz DBTVGMCMQRZJGP-CQSZACIVSA-N 1 1 342.414 4.344 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420473 1047004414 /nfs/dbraw/zinc/00/44/14/1047004414.db2.gz HQFWLIYABNZAME-SWLSCSKDSA-N 1 1 326.362 4.140 20 30 EIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(Br)c1C ZINC001170095084 1047340754 /nfs/dbraw/zinc/34/07/54/1047340754.db2.gz NTVAZZMUMOBVQW-UHFFFAOYSA-N 1 1 328.253 4.393 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000789326111 1047403186 /nfs/dbraw/zinc/40/31/86/1047403186.db2.gz NKTCDPSPEUSRCA-CQSZACIVSA-N 1 1 335.373 4.118 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000789326111 1047403197 /nfs/dbraw/zinc/40/31/97/1047403197.db2.gz NKTCDPSPEUSRCA-CQSZACIVSA-N 1 1 335.373 4.118 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000789329123 1047403654 /nfs/dbraw/zinc/40/36/54/1047403654.db2.gz JQEWNQDTPVLLRS-UHFFFAOYSA-N 1 1 329.447 4.205 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000789329123 1047403648 /nfs/dbraw/zinc/40/36/48/1047403648.db2.gz JQEWNQDTPVLLRS-UHFFFAOYSA-N 1 1 329.447 4.205 20 30 EIEDMO COc1ccc2c(c1)C[C@@H]([N@H+](CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001168284191 1047442830 /nfs/dbraw/zinc/44/28/30/1047442830.db2.gz SBPTXDBNZFEKIZ-IBGZPJMESA-N 1 1 340.854 4.232 20 30 EIEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001168284191 1047442836 /nfs/dbraw/zinc/44/28/36/1047442836.db2.gz SBPTXDBNZFEKIZ-IBGZPJMESA-N 1 1 340.854 4.232 20 30 EIEDMO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000556124901 1047466231 /nfs/dbraw/zinc/46/62/31/1047466231.db2.gz DIELKQMRYLHEPK-MRVPVSSYSA-N 1 1 325.243 4.239 20 30 EIEDMO C=C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000533912702 1047483453 /nfs/dbraw/zinc/48/34/53/1047483453.db2.gz VQNFMTITGKHAQI-RBBKRZOGSA-N 1 1 348.490 4.127 20 30 EIEDMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000130522295 1047724710 /nfs/dbraw/zinc/72/47/10/1047724710.db2.gz UOWYUMYZQMBAST-NRFANRHFSA-N 1 1 330.435 4.315 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000824656790 1047895476 /nfs/dbraw/zinc/89/54/76/1047895476.db2.gz MTIWSDFBKXYPPJ-FGZHOGPDSA-N 1 1 346.474 4.330 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000824656792 1047896542 /nfs/dbraw/zinc/89/65/42/1047896542.db2.gz MTIWSDFBKXYPPJ-VXKWHMMOSA-N 1 1 346.474 4.330 20 30 EIEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000824854625 1047974426 /nfs/dbraw/zinc/97/44/26/1047974426.db2.gz BHDJTRKRLDYKSI-NRFANRHFSA-N 1 1 334.463 4.106 20 30 EIEDMO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@H]21 ZINC000556884384 1048100368 /nfs/dbraw/zinc/10/03/68/1048100368.db2.gz CAIMAIVIPKIVBM-XPWALMASSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@H]21 ZINC000556884384 1048100378 /nfs/dbraw/zinc/10/03/78/1048100378.db2.gz CAIMAIVIPKIVBM-XPWALMASSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@H]21 ZINC000556884384 1048100387 /nfs/dbraw/zinc/10/03/87/1048100387.db2.gz CAIMAIVIPKIVBM-XPWALMASSA-N 1 1 345.490 4.188 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1F ZINC000808788838 1048108445 /nfs/dbraw/zinc/10/84/45/1048108445.db2.gz WAAQOTKEIFIYLW-FCHUYYIVSA-N 1 1 346.405 4.262 20 30 EIEDMO N#Cc1cccc(Cl)c1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001143726549 1048176544 /nfs/dbraw/zinc/17/65/44/1048176544.db2.gz UNTJDZAEDPEJRV-UHFFFAOYSA-N 1 1 340.854 4.393 20 30 EIEDMO N#Cc1cccc(Cl)c1C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001143726549 1048176552 /nfs/dbraw/zinc/17/65/52/1048176552.db2.gz UNTJDZAEDPEJRV-UHFFFAOYSA-N 1 1 340.854 4.393 20 30 EIEDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1c(Cl)cccc1C#N ZINC001143730903 1048176984 /nfs/dbraw/zinc/17/69/84/1048176984.db2.gz FKGTZZJBJRMIEF-IRXDYDNUSA-N 1 1 331.891 4.050 20 30 EIEDMO Cc1c(F)cc(F)cc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001143767745 1048187196 /nfs/dbraw/zinc/18/71/96/1048187196.db2.gz KIBFHXRGYRUMRN-UHFFFAOYSA-N 1 1 342.389 4.188 20 30 EIEDMO Clc1nc(Sc2ccccc2)sc1C=NNc1cc[nH+]cc1 ZINC000814899767 1048223580 /nfs/dbraw/zinc/22/35/80/1048223580.db2.gz METKTLAIENNHEM-UHFFFAOYSA-N 1 1 346.868 4.211 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC000844256938 1048270633 /nfs/dbraw/zinc/27/06/33/1048270633.db2.gz AMTXHEYCTAUPOJ-HXUWFJFHSA-N 1 1 337.463 4.336 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171117014 1048285093 /nfs/dbraw/zinc/28/50/93/1048285093.db2.gz VGFZYVQMOAXWTA-LJQANCHMSA-N 1 1 325.843 4.008 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171117014 1048285104 /nfs/dbraw/zinc/28/51/04/1048285104.db2.gz VGFZYVQMOAXWTA-LJQANCHMSA-N 1 1 325.843 4.008 20 30 EIEDMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369965 1048294555 /nfs/dbraw/zinc/29/45/55/1048294555.db2.gz PBANUFPJFKXMSN-KPZWWZAWSA-N 1 1 332.806 4.077 20 30 EIEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000815060904 1048314169 /nfs/dbraw/zinc/31/41/69/1048314169.db2.gz FSAZULNJMMFKMH-OAGGEKHMSA-N 1 1 334.895 4.330 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccnc(Br)c1 ZINC000815102443 1048346116 /nfs/dbraw/zinc/34/61/16/1048346116.db2.gz IUYORGAXZYDHEC-UHFFFAOYSA-N 1 1 331.257 4.422 20 30 EIEDMO C#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000809550283 1048411795 /nfs/dbraw/zinc/41/17/95/1048411795.db2.gz GFZVFIVWTBSOTK-KBPBESRZSA-N 1 1 335.291 4.231 20 30 EIEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C(C)C ZINC000920086583 1048458710 /nfs/dbraw/zinc/45/87/10/1048458710.db2.gz BLWRAYPTZNBQCR-UHFFFAOYSA-N 1 1 326.227 4.440 20 30 EIEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C(C)C ZINC000920086583 1048458722 /nfs/dbraw/zinc/45/87/22/1048458722.db2.gz BLWRAYPTZNBQCR-UHFFFAOYSA-N 1 1 326.227 4.440 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)s1 ZINC000809699344 1048461362 /nfs/dbraw/zinc/46/13/62/1048461362.db2.gz QNPMWUJRVMKLJH-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO C#C[C@@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1F ZINC000809699577 1048461452 /nfs/dbraw/zinc/46/14/52/1048461452.db2.gz QJRAVIJIXVYUNB-SCLBCKFNSA-N 1 1 333.838 4.152 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(Cl)ccc1O ZINC000809705554 1048488451 /nfs/dbraw/zinc/48/84/51/1048488451.db2.gz VPEXOBQZXPPYNF-UHFFFAOYSA-N 1 1 333.863 4.401 20 30 EIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000809715809 1048497178 /nfs/dbraw/zinc/49/71/78/1048497178.db2.gz GUQKCFHTQRDQNT-UHFFFAOYSA-N 1 1 348.446 4.013 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000772920155 1048635770 /nfs/dbraw/zinc/63/57/70/1048635770.db2.gz DBKQSMGMMOPKNC-UHFFFAOYSA-N 1 1 326.268 4.145 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](CC)CCCCCC)CC2 ZINC001170599269 1048655677 /nfs/dbraw/zinc/65/56/77/1048655677.db2.gz MWXCYPCYTMYGNC-KRWDZBQOSA-N 1 1 333.520 4.230 20 30 EIEDMO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000810155937 1048662831 /nfs/dbraw/zinc/66/28/31/1048662831.db2.gz MSKKUFFUBSFALQ-UHFFFAOYSA-N 1 1 339.748 4.224 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000920415208 1048668016 /nfs/dbraw/zinc/66/80/16/1048668016.db2.gz XQDCFZLYSBFOQO-UHFFFAOYSA-N 1 1 342.851 4.252 20 30 EIEDMO C#CCC[N@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000920415712 1048668693 /nfs/dbraw/zinc/66/86/93/1048668693.db2.gz CVTZNYKTDZLETB-UHFFFAOYSA-N 1 1 329.465 4.181 20 30 EIEDMO [NH2+]=C(Nc1ccccc1-c1cnco1)c1ccc2cc(O)ccc2c1 ZINC001171184621 1048675820 /nfs/dbraw/zinc/67/58/20/1048675820.db2.gz NXQLNTZAPFHTRD-UHFFFAOYSA-N 1 1 329.359 4.237 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)cc1 ZINC001144578543 1048731274 /nfs/dbraw/zinc/73/12/74/1048731274.db2.gz GJVZTYQAAGNLBW-WKCHPHFGSA-N 1 1 348.494 4.059 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171204185 1048769740 /nfs/dbraw/zinc/76/97/40/1048769740.db2.gz UJGHOHHQPLYYBD-QZTJIDSGSA-N 1 1 336.479 4.451 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Br)c1 ZINC001171208420 1048804389 /nfs/dbraw/zinc/80/43/89/1048804389.db2.gz BLFLYYHMQNSDLD-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717124 1048817409 /nfs/dbraw/zinc/81/74/09/1048817409.db2.gz ANLKEMVVKMOKHZ-LJQANCHMSA-N 1 1 331.419 4.083 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000236689663 1048833178 /nfs/dbraw/zinc/83/31/78/1048833178.db2.gz JJWMVEGIYUGQQT-UHFFFAOYSA-N 1 1 338.442 4.035 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000816619878 1048845978 /nfs/dbraw/zinc/84/59/78/1048845978.db2.gz ZCKNOPROMSTPEK-NRFANRHFSA-N 1 1 333.479 4.416 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001171223325 1048861391 /nfs/dbraw/zinc/86/13/91/1048861391.db2.gz MRKWGDDQUVUJBT-PGRDOPGGSA-N 1 1 334.463 4.170 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231956 1048870771 /nfs/dbraw/zinc/87/07/71/1048870771.db2.gz OQQNDIZUNJIAED-KKSFZXQISA-N 1 1 348.446 4.113 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846755870 1048889908 /nfs/dbraw/zinc/88/99/08/1048889908.db2.gz DPLYBEUBEUPFKA-QJHUTNDBSA-N 1 1 327.255 4.135 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846755870 1048889911 /nfs/dbraw/zinc/88/99/11/1048889911.db2.gz DPLYBEUBEUPFKA-QJHUTNDBSA-N 1 1 327.255 4.135 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817413141 1048963786 /nfs/dbraw/zinc/96/37/86/1048963786.db2.gz URNKJOLRMXPEMF-INIZCTEOSA-N 1 1 339.405 4.201 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412015 1048964511 /nfs/dbraw/zinc/96/45/11/1048964511.db2.gz BDDVNEYUHYWQNY-ZFWWWQNUSA-N 1 1 326.362 4.142 20 30 EIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954544 1049067285 /nfs/dbraw/zinc/06/72/85/1049067285.db2.gz YNGYNOCMEHWTIY-HRAATJIYSA-N 1 1 337.467 4.063 20 30 EIEDMO N#Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811473551 1049092826 /nfs/dbraw/zinc/09/28/26/1049092826.db2.gz CYJLYPBBMXZVIT-UHFFFAOYSA-N 1 1 336.178 4.063 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccc(Cl)cc1 ZINC000811517093 1049101010 /nfs/dbraw/zinc/10/10/10/1049101010.db2.gz HVYMUMRSYBKTSK-LJQANCHMSA-N 1 1 343.854 4.349 20 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/nfs/dbraw/zinc/32/23/17/1049322317.db2.gz IRDUWRKAXUPIPE-SFHVURJKSA-N 1 1 336.907 4.391 20 30 EIEDMO C[C@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)c1ccncc1 ZINC000819817132 1049375591 /nfs/dbraw/zinc/37/55/91/1049375591.db2.gz WFCJKXXLVMPIOC-AWEZNQCLSA-N 1 1 328.847 4.020 20 30 EIEDMO N#Cc1c(Cl)nsc1S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000819933965 1049394860 /nfs/dbraw/zinc/39/48/60/1049394860.db2.gz FTOJEBRQJRFPHA-CYBMUJFWSA-N 1 1 349.912 4.425 20 30 EIEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001171368207 1049518247 /nfs/dbraw/zinc/51/82/47/1049518247.db2.gz CKNJRAXXGGPVIP-NSHDSACASA-N 1 1 337.345 4.421 20 30 EIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1Cl ZINC000610132840 1049554241 /nfs/dbraw/zinc/55/42/41/1049554241.db2.gz REBKHKNQYDMIBL-UHFFFAOYSA-N 1 1 344.842 4.121 20 30 EIEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170685441 1049567509 /nfs/dbraw/zinc/56/75/09/1049567509.db2.gz NAJZWEWFHGGNBC-SFHVURJKSA-N 1 1 326.390 4.238 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170685441 1049567518 /nfs/dbraw/zinc/56/75/18/1049567518.db2.gz NAJZWEWFHGGNBC-SFHVURJKSA-N 1 1 326.390 4.238 20 30 EIEDMO C=C(C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)c1ccccc1 ZINC000812827389 1049588547 /nfs/dbraw/zinc/58/85/47/1049588547.db2.gz UQUBRLXYSXNFGP-UHFFFAOYSA-N 1 1 347.817 4.328 20 30 EIEDMO C#CC[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000773117777 1049589224 /nfs/dbraw/zinc/58/92/24/1049589224.db2.gz WRVCGUYBYHZMKP-HSZRJFAPSA-N 1 1 332.491 4.048 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccc(F)cc1 ZINC000812793830 1049591473 /nfs/dbraw/zinc/59/14/73/1049591473.db2.gz HAXMBDDUFLICOX-GOSISDBHSA-N 1 1 327.399 4.086 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000812793173 1049593060 /nfs/dbraw/zinc/59/30/60/1049593060.db2.gz NPBAXBHNZZOYLZ-MRXNPFEDSA-N 1 1 336.179 4.191 20 30 EIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001247622057 1049603763 /nfs/dbraw/zinc/60/37/63/1049603763.db2.gz DSCZAGOCRJDZOR-NSHDSACASA-N 1 1 342.624 4.119 20 30 EIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848014 1049612142 /nfs/dbraw/zinc/61/21/42/1049612142.db2.gz HPNZDDYZNKRZMV-UTKZUKDTSA-N 1 1 336.479 4.432 20 30 EIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001133494660 1049620034 /nfs/dbraw/zinc/62/00/34/1049620034.db2.gz QIFKLTSFNKLEPR-KSZLIROESA-N 1 1 340.577 4.069 20 30 EIEDMO N#CCc1cccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716670536 1049702274 /nfs/dbraw/zinc/70/22/74/1049702274.db2.gz NMXLBVPSKJMWKP-NNWRFLSQSA-N 1 1 331.463 4.218 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000245409894 1049708371 /nfs/dbraw/zinc/70/83/71/1049708371.db2.gz OLTZURGVJOKTAR-QFBILLFUSA-N 1 1 335.451 4.002 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000245409894 1049708383 /nfs/dbraw/zinc/70/83/83/1049708383.db2.gz OLTZURGVJOKTAR-QFBILLFUSA-N 1 1 335.451 4.002 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001171489317 1049717970 /nfs/dbraw/zinc/71/79/70/1049717970.db2.gz HILLDDIDSNQLDA-KRWDZBQOSA-N 1 1 337.463 4.460 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC001171532629 1049732603 /nfs/dbraw/zinc/73/26/03/1049732603.db2.gz GNTCGGCOEJBPCJ-UHFFFAOYSA-N 1 1 332.856 4.100 20 30 EIEDMO N#Cc1cccc(OCCC[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC001171532629 1049732611 /nfs/dbraw/zinc/73/26/11/1049732611.db2.gz GNTCGGCOEJBPCJ-UHFFFAOYSA-N 1 1 332.856 4.100 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3ccn(-c4cccc(F)c4)n3)CCC2)cc1 ZINC001171568030 1049758309 /nfs/dbraw/zinc/75/83/09/1049758309.db2.gz STSGOPCDBRWHEJ-UHFFFAOYSA-N 1 1 346.409 4.052 20 30 EIEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171771992 1049794511 /nfs/dbraw/zinc/79/45/11/1049794511.db2.gz LCSMNIJSJXXAMX-NRFANRHFSA-N 1 1 338.426 4.130 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001171734969 1049798548 /nfs/dbraw/zinc/79/85/48/1049798548.db2.gz NHLCZJPKFPQOJT-KRWDZBQOSA-N 1 1 348.874 4.298 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001171734969 1049798557 /nfs/dbraw/zinc/79/85/57/1049798557.db2.gz NHLCZJPKFPQOJT-KRWDZBQOSA-N 1 1 348.874 4.298 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842150 1049812197 /nfs/dbraw/zinc/81/21/97/1049812197.db2.gz ZLASBTWCSJZVAS-YJBOKZPZSA-N 1 1 334.891 4.195 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC001171847271 1049812238 /nfs/dbraw/zinc/81/22/38/1049812238.db2.gz KSVPCELATDQNPO-KRWDZBQOSA-N 1 1 341.455 4.054 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC001171847271 1049812244 /nfs/dbraw/zinc/81/22/44/1049812244.db2.gz KSVPCELATDQNPO-KRWDZBQOSA-N 1 1 341.455 4.054 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171900281 1049817069 /nfs/dbraw/zinc/81/70/69/1049817069.db2.gz RRDDMZFGAMAQJE-JOCHJYFZSA-N 1 1 348.490 4.370 20 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ZINC001172076913 1049845234 /nfs/dbraw/zinc/84/52/34/1049845234.db2.gz BAGOYTPPDMFNDV-AERCQKQUSA-N 1 1 337.511 4.198 20 30 EIEDMO CC1(C#N)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076913 1049845236 /nfs/dbraw/zinc/84/52/36/1049845236.db2.gz BAGOYTPPDMFNDV-AERCQKQUSA-N 1 1 337.511 4.198 20 30 EIEDMO CC1(C#N)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076913 1049845239 /nfs/dbraw/zinc/84/52/39/1049845239.db2.gz BAGOYTPPDMFNDV-AERCQKQUSA-N 1 1 337.511 4.198 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094057 1049849079 /nfs/dbraw/zinc/84/90/79/1049849079.db2.gz JDVYKWRJAYQHDE-BCDXTJNWSA-N 1 1 349.519 4.323 20 30 EIEDMO CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001172308501 1049874928 /nfs/dbraw/zinc/87/49/28/1049874928.db2.gz KWLONSJADIWGJR-MSOLQXFVSA-N 1 1 336.479 4.451 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172313098 1049875818 /nfs/dbraw/zinc/87/58/18/1049875818.db2.gz PAIDQCRGGZZOSQ-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172318755 1049876387 /nfs/dbraw/zinc/87/63/87/1049876387.db2.gz IAFGRDWPNDPAJO-XMSQKQJNSA-N 1 1 334.463 4.170 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cccc(Br)c2C1 ZINC001172318613 1049876416 /nfs/dbraw/zinc/87/64/16/1049876416.db2.gz HQGQHZUSWOBINS-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cccc(Br)c2C1 ZINC001172318613 1049876418 /nfs/dbraw/zinc/87/64/18/1049876418.db2.gz HQGQHZUSWOBINS-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172318753 1049876735 /nfs/dbraw/zinc/87/67/35/1049876735.db2.gz IAFGRDWPNDPAJO-PGRDOPGGSA-N 1 1 334.463 4.170 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001172354515 1049893295 /nfs/dbraw/zinc/89/32/95/1049893295.db2.gz ISSPLJCCSTWWLU-GOSISDBHSA-N 1 1 343.519 4.083 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001172354515 1049893296 /nfs/dbraw/zinc/89/32/96/1049893296.db2.gz ISSPLJCCSTWWLU-GOSISDBHSA-N 1 1 343.519 4.083 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495743 1049922275 /nfs/dbraw/zinc/92/22/75/1049922275.db2.gz HHQXDRGDPNKADN-YLJYHZDGSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001172500837 1049922973 /nfs/dbraw/zinc/92/29/73/1049922973.db2.gz AXFLRJBYRWFVKS-HOTGVXAUSA-N 1 1 333.476 4.058 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172505289 1049924056 /nfs/dbraw/zinc/92/40/56/1049924056.db2.gz LNUHZEOLHKWPRV-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172505289 1049924062 /nfs/dbraw/zinc/92/40/62/1049924062.db2.gz LNUHZEOLHKWPRV-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172510133 1049925371 /nfs/dbraw/zinc/92/53/71/1049925371.db2.gz VYRXQUWUFNIIHQ-QGZVFWFLSA-N 1 1 345.487 4.096 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509366 1049926051 /nfs/dbraw/zinc/92/60/51/1049926051.db2.gz KKUIIOGPTREFKT-IAGOWNOFSA-N 1 1 349.519 4.180 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172510132 1049926142 /nfs/dbraw/zinc/92/61/42/1049926142.db2.gz VYRXQUWUFNIIHQ-KRWDZBQOSA-N 1 1 345.487 4.096 20 30 EIEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549112 1049947916 /nfs/dbraw/zinc/94/79/16/1049947916.db2.gz MPLDTCQEMWZCDN-VAMGGRTRSA-N 1 1 342.483 4.089 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172675615 1049963205 /nfs/dbraw/zinc/96/32/05/1049963205.db2.gz IAYANEQCKVMNTB-QFIPXVFZSA-N 1 1 348.490 4.256 20 30 EIEDMO CC(C)[N@@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000069071203 1049964104 /nfs/dbraw/zinc/96/41/04/1049964104.db2.gz CJUUGWVCRBYNAM-UHFFFAOYSA-N 1 1 331.419 4.133 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249029764 1050088608 /nfs/dbraw/zinc/08/86/08/1050088608.db2.gz BBLDTCZMEKFABW-FBBABVLZSA-N 1 1 328.500 4.100 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181588525 1050232777 /nfs/dbraw/zinc/23/27/77/1050232777.db2.gz BKIYPYSDBYNOHZ-ZDUSSCGKSA-N 1 1 342.389 4.476 20 30 EIEDMO CCCCCCCCOC(=O)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042923 1050271231 /nfs/dbraw/zinc/27/12/31/1050271231.db2.gz SSRAOTCPMWCUAT-UHFFFAOYSA-N 1 1 339.520 4.219 20 30 EIEDMO N#CC(CC[N@@H+]1CC[C@@H](C(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000618291154 1050330316 /nfs/dbraw/zinc/33/03/16/1050330316.db2.gz OXYVAHCPIDVVPG-QGZVFWFLSA-N 1 1 340.417 4.473 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)C1CCC(Oc2ccccc2)CC1 ZINC001173199376 1050346302 /nfs/dbraw/zinc/34/63/02/1050346302.db2.gz BVSGSCCGXNOHPW-UHFFFAOYSA-N 1 1 335.451 4.187 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)C1CCC(Oc2ccccc2)CC1 ZINC001173199376 1050346318 /nfs/dbraw/zinc/34/63/18/1050346318.db2.gz BVSGSCCGXNOHPW-UHFFFAOYSA-N 1 1 335.451 4.187 20 30 EIEDMO Cc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncc1C#N ZINC001186564508 1050360993 /nfs/dbraw/zinc/36/09/93/1050360993.db2.gz BPFMPYBGYHKWOH-SEJPIABJSA-N 1 1 346.478 4.259 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](CCCC)CC(C)C ZINC001173254942 1050379072 /nfs/dbraw/zinc/37/90/72/1050379072.db2.gz JGJONSOWSQEOLT-IEBWSBKVSA-N 1 1 333.520 4.127 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173322223 1050414419 /nfs/dbraw/zinc/41/44/19/1050414419.db2.gz ZCIPDSMAIYQBLE-AOMIVXANSA-N 1 1 336.479 4.407 20 30 EIEDMO CN(C[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173331004 1050422610 /nfs/dbraw/zinc/42/26/10/1050422610.db2.gz JIHUFJUIXZFYLO-LXPRWKDFSA-N 1 1 349.519 4.038 20 30 EIEDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1CCC(CC#N)CC1 ZINC001173337299 1050428191 /nfs/dbraw/zinc/42/81/91/1050428191.db2.gz FXXSTJWHZPDBBC-LRYGQEGESA-N 1 1 330.472 4.005 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001173320084 1050440489 /nfs/dbraw/zinc/44/04/89/1050440489.db2.gz HQRUAONYXWVOFN-GRERDSQWSA-N 1 1 329.484 4.352 20 30 EIEDMO C=C(C)CNC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186946121 1050449719 /nfs/dbraw/zinc/44/97/19/1050449719.db2.gz BVAMIDGAACYVFS-GHTZIAJQSA-N 1 1 348.490 4.179 20 30 EIEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173599123 1050499532 /nfs/dbraw/zinc/49/95/32/1050499532.db2.gz ZXNQAVXWUKRJEH-VXESANQCSA-N 1 1 349.519 4.038 20 30 EIEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597502 1050500152 /nfs/dbraw/zinc/50/01/52/1050500152.db2.gz WHFFUOCYSYQCDB-FDYSRKEFSA-N 1 1 326.440 4.083 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173600599 1050502984 /nfs/dbraw/zinc/50/29/84/1050502984.db2.gz GFFXFUBGMSKSPX-GQOXECLESA-N 1 1 349.519 4.180 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000618801692 1050519811 /nfs/dbraw/zinc/51/98/11/1050519811.db2.gz BRJLGPRUFGRRIB-LXBDKUERSA-N 1 1 345.490 4.046 20 30 EIEDMO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646377 1050533169 /nfs/dbraw/zinc/53/31/69/1050533169.db2.gz YVKOUFBRBOBWOU-PKOBYXMFSA-N 1 1 334.504 4.437 20 30 EIEDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(F)ccc1C#N ZINC001187403316 1050536557 /nfs/dbraw/zinc/53/65/57/1050536557.db2.gz BBJPVOPFXIBMEZ-HXUWFJFHSA-N 1 1 337.442 4.188 20 30 EIEDMO O=C1C=C2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)CCC2S1 ZINC001173688494 1050540501 /nfs/dbraw/zinc/54/05/01/1050540501.db2.gz VKTAHBKUAPRQQS-BIXGBWIQSA-N 1 1 339.504 4.087 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711581 1050552358 /nfs/dbraw/zinc/55/23/58/1050552358.db2.gz FLLINOLJTJIUBX-GGAORHGYSA-N 1 1 346.474 4.358 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000093704317 1050663601 /nfs/dbraw/zinc/66/36/01/1050663601.db2.gz TYMGACWVFKQWIY-OAQYLSRUSA-N 1 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1050881947 /nfs/dbraw/zinc/88/19/47/1050881947.db2.gz LXOLENQVMMFLSS-YPAWHYETSA-N 1 1 332.447 4.125 20 30 EIEDMO C[C@]1(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C[C@@H]1c1ccccc1 ZINC001180132766 1050881954 /nfs/dbraw/zinc/88/19/54/1050881954.db2.gz LXOLENQVMMFLSS-YPAWHYETSA-N 1 1 332.447 4.125 20 30 EIEDMO Cn1c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nc2cc(Cl)ccc21 ZINC000619748414 1050893901 /nfs/dbraw/zinc/89/39/01/1050893901.db2.gz DNHINMRCKNTICP-UHFFFAOYSA-N 1 1 345.233 4.042 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)c1cccc(Cl)c1 ZINC001180183265 1050895600 /nfs/dbraw/zinc/89/56/00/1050895600.db2.gz AJPNLYBNBGZCFW-MRXNPFEDSA-N 1 1 342.870 4.464 20 30 EIEDMO Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001180219242 1050917549 /nfs/dbraw/zinc/91/75/49/1050917549.db2.gz LBPQDEWAKJMWFI-LJQANCHMSA-N 1 1 339.866 4.483 20 30 EIEDMO Clc1ccc(O[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1Cl ZINC001180225176 1050920997 /nfs/dbraw/zinc/92/09/97/1050920997.db2.gz PCIBXHQZWJGRKV-KRWDZBQOSA-N 1 1 346.257 4.498 20 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C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC001190699971 1051248593 /nfs/dbraw/zinc/24/85/93/1051248593.db2.gz QTOJUJLQMGXWPA-HNNXBMFYSA-N 1 1 344.405 4.023 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC001190699971 1051248604 /nfs/dbraw/zinc/24/86/04/1051248604.db2.gz QTOJUJLQMGXWPA-HNNXBMFYSA-N 1 1 344.405 4.023 20 30 EIEDMO C[C@H]1CCC[C@H](CC[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818742 1051283312 /nfs/dbraw/zinc/28/33/12/1051283312.db2.gz NOSGHUZALHWQNF-RBUKOAKNSA-N 1 1 325.500 4.287 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001190845596 1051291007 /nfs/dbraw/zinc/29/10/07/1051291007.db2.gz GFKPRHKVGPSMKW-NRFANRHFSA-N 1 1 334.463 4.282 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164651 1051371329 /nfs/dbraw/zinc/37/13/29/1051371329.db2.gz IJDAGDVWWQFSCV-CVEARBPZSA-N 1 1 340.389 4.212 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+]C/C=C/c1ccc(Br)cc1 ZINC001181972577 1051372523 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347.890 4.441 20 30 EIEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234834 1051432425 /nfs/dbraw/zinc/43/24/25/1051432425.db2.gz GPJROZXWYQAHKE-TZIWHRDSSA-N 1 1 343.515 4.294 20 30 EIEDMO CC[C@H](CC#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243326 1051437318 /nfs/dbraw/zinc/43/73/18/1051437318.db2.gz GNHUJPMEOBXZCO-MSOLQXFVSA-N 1 1 347.890 4.066 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC001191436831 1051457691 /nfs/dbraw/zinc/45/76/91/1051457691.db2.gz QDSVKZILIVEGQR-SFHVURJKSA-N 1 1 345.364 4.254 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1C#N ZINC001175410574 1051577969 /nfs/dbraw/zinc/57/79/69/1051577969.db2.gz LTSCUYRNGLSGCV-KRWDZBQOSA-N 1 1 330.435 4.123 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC001191988122 1051598039 /nfs/dbraw/zinc/59/80/39/1051598039.db2.gz WWQVYNKBNLCJOE-UHFFFAOYSA-N 1 1 328.415 4.419 20 30 EIEDMO CCSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977036 1051606063 /nfs/dbraw/zinc/60/60/63/1051606063.db2.gz MGJBVMIBNZVUQO-CQSZACIVSA-N 1 1 345.430 4.400 20 30 EIEDMO CCSCC[C@H](C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977035 1051606793 /nfs/dbraw/zinc/60/67/93/1051606793.db2.gz MGJBVMIBNZVUQO-AWEZNQCLSA-N 1 1 345.430 4.400 20 30 EIEDMO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)cc1O ZINC001182501103 1051619110 /nfs/dbraw/zinc/61/91/10/1051619110.db2.gz YUPIBEZIEIAXCQ-GFCCVEGCSA-N 1 1 330.815 4.119 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)cc1O ZINC001182501103 1051619122 /nfs/dbraw/zinc/61/91/22/1051619122.db2.gz YUPIBEZIEIAXCQ-GFCCVEGCSA-N 1 1 330.815 4.119 20 30 EIEDMO CC(C)(C#N)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001175505188 1051637482 /nfs/dbraw/zinc/63/74/82/1051637482.db2.gz QVZIWZFUOWTADP-UHFFFAOYSA-N 1 1 332.451 4.084 20 30 EIEDMO N#Cc1ccc(F)c(F)c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506652 1051640299 /nfs/dbraw/zinc/64/02/99/1051640299.db2.gz APBWDKCLZHROQG-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO N#Cc1ccc(F)c(F)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506652 1051640304 /nfs/dbraw/zinc/64/03/04/1051640304.db2.gz APBWDKCLZHROQG-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173277 1051646156 /nfs/dbraw/zinc/64/61/56/1051646156.db2.gz HTNRWMQIRNFFJL-NRFANRHFSA-N 1 1 334.463 4.225 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175580210 1051676065 /nfs/dbraw/zinc/67/60/65/1051676065.db2.gz XBUHVBZPVHVEOD-RBUKOAKNSA-N 1 1 348.531 4.292 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(c2ccco2)CC1 ZINC001182796427 1051699036 /nfs/dbraw/zinc/69/90/36/1051699036.db2.gz UTQGDFLWXGKIGR-UHFFFAOYSA-N 1 1 329.827 4.325 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CCCc2ccccc2)cc1 ZINC001192435221 1051714324 /nfs/dbraw/zinc/71/43/24/1051714324.db2.gz OXODMSKGNZFMQO-GOTSBHOMSA-N 1 1 348.490 4.469 20 30 EIEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001175714665 1051733661 /nfs/dbraw/zinc/73/36/61/1051733661.db2.gz JLWFSDKJMLATEI-LEWJYISDSA-N 1 1 334.463 4.168 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC001183065705 1051780844 /nfs/dbraw/zinc/78/08/44/1051780844.db2.gz ONCSMSFURBSKKM-MRXNPFEDSA-N 1 1 341.401 4.389 20 30 EIEDMO C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277603859 1051796182 /nfs/dbraw/zinc/79/61/82/1051796182.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 1 1 327.516 4.160 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277603859 1051796191 /nfs/dbraw/zinc/79/61/91/1051796191.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 1 1 327.516 4.160 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(Br)c1)C2 ZINC001183180524 1051802261 /nfs/dbraw/zinc/80/22/61/1051802261.db2.gz OUEBUZXPZRGDHL-UHFFFAOYSA-N 1 1 341.252 4.073 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(Br)c1)C2 ZINC001183180524 1051802266 /nfs/dbraw/zinc/80/22/66/1051802266.db2.gz OUEBUZXPZRGDHL-UHFFFAOYSA-N 1 1 341.252 4.073 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159114380 1051814597 /nfs/dbraw/zinc/81/45/97/1051814597.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159114380 1051814600 /nfs/dbraw/zinc/81/46/00/1051814600.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 1 1 339.527 4.303 20 30 EIEDMO C#CC[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C1CSC1 ZINC001183420232 1051842074 /nfs/dbraw/zinc/84/20/74/1051842074.db2.gz YMEXSRLIDUBTAI-LCYFTJDESA-N 1 1 325.399 4.159 20 30 EIEDMO C#CC[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C1CSC1 ZINC001183420232 1051842080 /nfs/dbraw/zinc/84/20/80/1051842080.db2.gz YMEXSRLIDUBTAI-LCYFTJDESA-N 1 1 325.399 4.159 20 30 EIEDMO C=CCn1c(C)nn(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c1=S ZINC000071939016 1051869210 /nfs/dbraw/zinc/86/92/10/1051869210.db2.gz WGWOJYDPTHBGTL-MRXNPFEDSA-N 1 1 348.491 4.382 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c(F)c1 ZINC001183865238 1051918879 /nfs/dbraw/zinc/91/88/79/1051918879.db2.gz RZCJEZMAEPCHME-OAHLLOKOSA-N 1 1 341.455 4.022 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](CC)C[C@H](CC)c2ccccc2)c1=S ZINC000774702731 1051936539 /nfs/dbraw/zinc/93/65/39/1051936539.db2.gz OSEHTTJGRPEABH-KRWDZBQOSA-N 1 1 344.528 4.382 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](CC)C[C@H](CC)c2ccccc2)c1=S ZINC000774702731 1051936554 /nfs/dbraw/zinc/93/65/54/1051936554.db2.gz OSEHTTJGRPEABH-KRWDZBQOSA-N 1 1 344.528 4.382 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC001193517402 1051943280 /nfs/dbraw/zinc/94/32/80/1051943280.db2.gz SETMDJBJTOKXIN-AWEZNQCLSA-N 1 1 345.874 4.195 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1C#N ZINC001193517138 1051943569 /nfs/dbraw/zinc/94/35/69/1051943569.db2.gz NVNGVTYHBNDGIV-IBGZPJMESA-N 1 1 344.462 4.129 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001193636607 1051960775 /nfs/dbraw/zinc/96/07/75/1051960775.db2.gz KBQJFOVYTHMIOV-AWEZNQCLSA-N 1 1 345.899 4.152 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234922 1051969287 /nfs/dbraw/zinc/96/92/87/1051969287.db2.gz LLTNRFUUSBZSDE-PBHICJAKSA-N 1 1 337.492 4.444 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001184349453 1051997160 /nfs/dbraw/zinc/99/71/60/1051997160.db2.gz AFTDYBYQIYUYEH-NRFANRHFSA-N 1 1 334.463 4.451 20 30 EIEDMO C#CC[N@@H+](C[C@@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454137 1052078127 /nfs/dbraw/zinc/07/81/27/1052078127.db2.gz ZPNWZDSLLFMCOL-CTNGQTDRSA-N 1 1 339.479 4.075 20 30 EIEDMO C=C1CC(C)(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001184787337 1052106499 /nfs/dbraw/zinc/10/64/99/1052106499.db2.gz KACLWHROQUCZJP-UHFFFAOYSA-N 1 1 332.447 4.497 20 30 EIEDMO C=C1CC(C)(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001184787337 1052106507 /nfs/dbraw/zinc/10/65/07/1052106507.db2.gz KACLWHROQUCZJP-UHFFFAOYSA-N 1 1 332.447 4.497 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc2c(c1)CCC2 ZINC001194251373 1052117089 /nfs/dbraw/zinc/11/70/89/1052117089.db2.gz PEGUKPOQCHCZHU-MRXNPFEDSA-N 1 1 325.452 4.400 20 30 EIEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176813617 1052196398 /nfs/dbraw/zinc/19/63/98/1052196398.db2.gz FVWDVGOPFVPECZ-SFHVURJKSA-N 1 1 342.483 4.130 20 30 EIEDMO C#C[C@H]1CCCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC001176833570 1052197623 /nfs/dbraw/zinc/19/76/23/1052197623.db2.gz XIXUQZKZRKXLLG-INIZCTEOSA-N 1 1 325.374 4.352 20 30 EIEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)c1C ZINC001176856673 1052204054 /nfs/dbraw/zinc/20/40/54/1052204054.db2.gz PYSNJFBVTSJSHU-UHFFFAOYSA-N 1 1 332.447 4.495 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]Cc2nc(C)c(C)s2)ccc1OC ZINC000174435350 1052566342 /nfs/dbraw/zinc/56/63/42/1052566342.db2.gz HKDLFHKMMYOTNX-UHFFFAOYSA-N 1 1 332.469 4.013 20 30 EIEDMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764113968 1053030728 /nfs/dbraw/zinc/03/07/28/1053030728.db2.gz SDJABQJMHXPZRI-IBGZPJMESA-N 1 1 349.478 4.152 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccco3)C3CCCC3)o2)cc1 ZINC000173544060 1053239342 /nfs/dbraw/zinc/23/93/42/1053239342.db2.gz MXNZZZUTGVKFPD-UHFFFAOYSA-N 1 1 348.406 4.146 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccco3)C3CCCC3)o2)cc1 ZINC000173544060 1053239357 /nfs/dbraw/zinc/23/93/57/1053239357.db2.gz MXNZZZUTGVKFPD-UHFFFAOYSA-N 1 1 348.406 4.146 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000794668618 1053244417 /nfs/dbraw/zinc/24/44/17/1053244417.db2.gz MOEDEHPZYWLURE-YADHBBJMSA-N 1 1 346.405 4.262 20 30 EIEDMO CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064797 1053252220 /nfs/dbraw/zinc/25/22/20/1053252220.db2.gz MAVRDJMLDAYHAX-MRXNPFEDSA-N 1 1 327.472 4.033 20 30 EIEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679837 1053266167 /nfs/dbraw/zinc/26/61/67/1053266167.db2.gz XCTGGTVQLLKRET-AZUAARDMSA-N 1 1 349.478 4.078 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001195233989 1053322075 /nfs/dbraw/zinc/32/20/75/1053322075.db2.gz MFIZQUCJPOWSOH-OAHLLOKOSA-N 1 1 346.446 4.031 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001195233989 1053322091 /nfs/dbraw/zinc/32/20/91/1053322091.db2.gz MFIZQUCJPOWSOH-OAHLLOKOSA-N 1 1 346.446 4.031 20 30 EIEDMO CC[N@@H+](CCOc1ccccc1C)Cc1cc(Cl)cc(C#N)c1 ZINC001195321952 1053359596 /nfs/dbraw/zinc/35/95/96/1053359596.db2.gz CLPPOHYODFJDEX-UHFFFAOYSA-N 1 1 328.843 4.421 20 30 EIEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290098 1053363251 /nfs/dbraw/zinc/36/32/51/1053363251.db2.gz SRJZIVLXWZTWGY-CJNGLKHVSA-N 1 1 348.874 4.154 20 30 EIEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290098 1053363268 /nfs/dbraw/zinc/36/32/68/1053363268.db2.gz SRJZIVLXWZTWGY-CJNGLKHVSA-N 1 1 348.874 4.154 20 30 EIEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001195289589 1053365057 /nfs/dbraw/zinc/36/50/57/1053365057.db2.gz PKPSUHWTODXSLB-FQEVSTJZSA-N 1 1 326.390 4.434 20 30 EIEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)c2ccccc2C1 ZINC000552059624 1053372393 /nfs/dbraw/zinc/37/23/93/1053372393.db2.gz OLTLMGJZEXJAFE-UHFFFAOYSA-N 1 1 345.368 4.029 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1 ZINC001195978409 1053537868 /nfs/dbraw/zinc/53/78/68/1053537868.db2.gz MSPTXPRITJJEFU-SFHVURJKSA-N 1 1 347.849 4.124 20 30 EIEDMO Cc1cc(Br)cc(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000775676895 1053554476 /nfs/dbraw/zinc/55/44/76/1053554476.db2.gz ACLCLIPQZZGYFR-UHFFFAOYSA-N 1 1 339.277 4.225 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331541 1053571175 /nfs/dbraw/zinc/57/11/75/1053571175.db2.gz APUJROCFDYZNCW-JTSKRJEESA-N 1 1 331.463 4.189 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331541 1053571186 /nfs/dbraw/zinc/57/11/86/1053571186.db2.gz APUJROCFDYZNCW-JTSKRJEESA-N 1 1 331.463 4.189 20 30 EIEDMO C=CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@@H](C)COC ZINC001196047814 1053571195 /nfs/dbraw/zinc/57/11/95/1053571195.db2.gz FLUCNTOUEMOIRO-PKYBCLHXSA-N 1 1 338.289 4.375 20 30 EIEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000776592054 1053575514 /nfs/dbraw/zinc/57/55/14/1053575514.db2.gz XPCUFFNMBTUMNG-HSZRJFAPSA-N 1 1 348.490 4.262 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173556707 1053598290 /nfs/dbraw/zinc/59/82/90/1053598290.db2.gz MBCYBFIOGJTFJG-IBGZPJMESA-N 1 1 344.418 4.254 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173556721 1053598481 /nfs/dbraw/zinc/59/84/81/1053598481.db2.gz MBCYBFIOGJTFJG-LJQANCHMSA-N 1 1 344.418 4.254 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314588 1053630388 /nfs/dbraw/zinc/63/03/88/1053630388.db2.gz WKOLWHXZZCWRMG-AWEZNQCLSA-N 1 1 347.384 4.425 20 30 EIEDMO CCCCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001196328595 1053640270 /nfs/dbraw/zinc/64/02/70/1053640270.db2.gz CTWHZCBRLJWAOG-LJQANCHMSA-N 1 1 327.472 4.322 20 30 EIEDMO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1nc2ccccc2[nH]1 ZINC000866241941 1053660352 /nfs/dbraw/zinc/66/03/52/1053660352.db2.gz IGGGCCWVJUJNDA-ACJLOTCBSA-N 1 1 334.423 4.188 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1O ZINC000866247412 1053662619 /nfs/dbraw/zinc/66/26/19/1053662619.db2.gz VCQMARZQXDJCIS-BZNIZROVSA-N 1 1 328.799 4.092 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622012 1053715885 /nfs/dbraw/zinc/71/58/85/1053715885.db2.gz BIVJXGYZOWLTDZ-FQEVSTJZSA-N 1 1 338.495 4.383 20 30 EIEDMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196827877 1053782718 /nfs/dbraw/zinc/78/27/18/1053782718.db2.gz BTMYPFPNOIOVRY-WMLDXEAASA-N 1 1 340.389 4.488 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C(CC)CC)no2)cc1 ZINC000121155399 1053807493 /nfs/dbraw/zinc/80/74/93/1053807493.db2.gz KFFHCILURNJLKC-OAHLLOKOSA-N 1 1 326.440 4.441 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001196984138 1053817526 /nfs/dbraw/zinc/81/75/26/1053817526.db2.gz YDKMAXMJKDBYKE-YJBOKZPZSA-N 1 1 330.435 4.375 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001196984136 1053817850 /nfs/dbraw/zinc/81/78/50/1053817850.db2.gz YDKMAXMJKDBYKE-MAUKXSAKSA-N 1 1 330.435 4.375 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC001197177083 1053847894 /nfs/dbraw/zinc/84/78/94/1053847894.db2.gz KNSCKLHQLLCVFW-ZLNRFVROSA-N 1 1 346.474 4.351 20 30 EIEDMO CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197314875 1053872685 /nfs/dbraw/zinc/87/26/85/1053872685.db2.gz GCJIBGLFFITVKY-CQSZACIVSA-N 1 1 331.872 4.436 20 30 EIEDMO CC1(C)[C@@H](c2ccccc2Cl)CC[N@H+]1Cc1nc(C#N)cs1 ZINC001197314875 1053872691 /nfs/dbraw/zinc/87/26/91/1053872691.db2.gz GCJIBGLFFITVKY-CQSZACIVSA-N 1 1 331.872 4.436 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000113329429 1053924717 /nfs/dbraw/zinc/92/47/17/1053924717.db2.gz HWVNJHHSDDOOTN-UHFFFAOYSA-N 1 1 334.444 4.112 20 30 EIEDMO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001197564546 1053940081 /nfs/dbraw/zinc/94/00/81/1053940081.db2.gz KLSPFXNSROZSBH-KRWDZBQOSA-N 1 1 344.505 4.309 20 30 EIEDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001197564546 1053940092 /nfs/dbraw/zinc/94/00/92/1053940092.db2.gz KLSPFXNSROZSBH-KRWDZBQOSA-N 1 1 344.505 4.309 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC001197599922 1053952770 /nfs/dbraw/zinc/95/27/70/1053952770.db2.gz ASKSTBQTCCSXAV-HOTGVXAUSA-N 1 1 336.545 4.265 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000776849478 1054006155 /nfs/dbraw/zinc/00/61/55/1054006155.db2.gz LALLGLZSHCQQLQ-BXXSPATCSA-N 1 1 346.474 4.250 20 30 EIEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCCc2ccccc21 ZINC001198103162 1054078669 /nfs/dbraw/zinc/07/86/69/1054078669.db2.gz DNRQKUODHDFMAY-NRFANRHFSA-N 1 1 330.431 4.080 20 30 EIEDMO C#CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCCc2ccccc21 ZINC001198103162 1054078682 /nfs/dbraw/zinc/07/86/82/1054078682.db2.gz DNRQKUODHDFMAY-NRFANRHFSA-N 1 1 330.431 4.080 20 30 EIEDMO CN(C)c1ccc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000775882530 1054203234 /nfs/dbraw/zinc/20/32/34/1054203234.db2.gz VVKMWGQJJIXDBU-UHFFFAOYSA-N 1 1 337.442 4.143 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1sccc1Br ZINC000105467870 1054344867 /nfs/dbraw/zinc/34/48/67/1054344867.db2.gz VSPLSSUELZZBHY-UHFFFAOYSA-N 1 1 338.270 4.365 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C(C)C)N1CCC(C)CC1 ZINC001199259765 1054374557 /nfs/dbraw/zinc/37/45/57/1054374557.db2.gz WZYXOIUBHRGBFV-NRFANRHFSA-N 1 1 327.516 4.021 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000872179553 1054423499 /nfs/dbraw/zinc/42/34/99/1054423499.db2.gz CGTSLRJUKLHMPV-LLVKDONJSA-N 1 1 344.217 4.330 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000872177632 1054423671 /nfs/dbraw/zinc/42/36/71/1054423671.db2.gz LUBHZHWAAWNRGF-GFCCVEGCSA-N 1 1 346.645 4.304 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872261860 1054427931 /nfs/dbraw/zinc/42/79/31/1054427931.db2.gz INZCHCNMEDMPCQ-HXUWFJFHSA-N 1 1 342.483 4.293 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060372 1054450080 /nfs/dbraw/zinc/45/00/80/1054450080.db2.gz PSIGVTMUDCIQIS-SFHVURJKSA-N 1 1 349.409 4.222 20 30 EIEDMO N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1F ZINC001201475100 1054829446 /nfs/dbraw/zinc/82/94/46/1054829446.db2.gz SDPCRCOBXRPPJE-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO N#Cc1cccc(C#N)c1N=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475046 1054830009 /nfs/dbraw/zinc/83/00/09/1054830009.db2.gz QORGSWGZGHUSTI-RTWAWAEBSA-N 1 1 340.430 4.163 20 30 EIEDMO N#Cc1cccc(C#N)c1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475046 1054830014 /nfs/dbraw/zinc/83/00/14/1054830014.db2.gz QORGSWGZGHUSTI-RTWAWAEBSA-N 1 1 340.430 4.163 20 30 EIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000125824317 1054867750 /nfs/dbraw/zinc/86/77/50/1054867750.db2.gz HCMLQVNMJIISLV-QGZVFWFLSA-N 1 1 337.467 4.238 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201814409 1054912564 /nfs/dbraw/zinc/91/25/64/1054912564.db2.gz OYYTUTCZTJLAMK-LJQANCHMSA-N 1 1 333.520 4.102 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001201815224 1054913799 /nfs/dbraw/zinc/91/37/99/1054913799.db2.gz ZYZNSPKOZQUVDO-UXHICEINSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCCC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201815189 1054916074 /nfs/dbraw/zinc/91/60/74/1054916074.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 1 1 329.532 4.196 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001201776845 1054918490 /nfs/dbraw/zinc/91/84/90/1054918490.db2.gz NVJYVCSPPPRMGH-RTWAWAEBSA-N 1 1 346.515 4.110 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201853033 1054922303 /nfs/dbraw/zinc/92/23/03/1054922303.db2.gz YTCDJZJHCXNMLD-SFHVURJKSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCC[N@@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC001201840335 1054933483 /nfs/dbraw/zinc/93/34/83/1054933483.db2.gz UPAFPYGXBZOZHZ-UHFFFAOYSA-N 1 1 340.515 4.239 20 30 EIEDMO CCCCCCCC[N@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC001201840335 1054933496 /nfs/dbraw/zinc/93/34/96/1054933496.db2.gz UPAFPYGXBZOZHZ-UHFFFAOYSA-N 1 1 340.515 4.239 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201970764 1054972204 /nfs/dbraw/zinc/97/22/04/1054972204.db2.gz BHQXRQLRIUOJBX-AZUAARDMSA-N 1 1 345.531 4.295 20 30 EIEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339031561 1054980839 /nfs/dbraw/zinc/98/08/39/1054980839.db2.gz KUCBKRWVMFYNOW-INIZCTEOSA-N 1 1 326.362 4.163 20 30 EIEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876939686 1054984919 /nfs/dbraw/zinc/98/49/19/1054984919.db2.gz LNPCFKWJGKHQKW-CYBMUJFWSA-N 1 1 329.831 4.245 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1C(F)(F)F ZINC000876971153 1054990862 /nfs/dbraw/zinc/99/08/62/1054990862.db2.gz MOMPEOXCAFGPAE-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000876990901 1054994887 /nfs/dbraw/zinc/99/48/87/1054994887.db2.gz DJYOIUAPTGJEDL-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000877610417 1055090374 /nfs/dbraw/zinc/09/03/74/1055090374.db2.gz VEDOZWSPOLSYQJ-UHFFFAOYSA-N 1 1 329.444 4.207 20 30 EIEDMO COC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001202252073 1055096255 /nfs/dbraw/zinc/09/62/55/1055096255.db2.gz AMOPBRWOTVYTOP-QGZVFWFLSA-N 1 1 336.435 4.075 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892785 1055145886 /nfs/dbraw/zinc/14/58/86/1055145886.db2.gz DUVQHMBRZRWGGZ-IERDGZPVSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902891 1055149206 /nfs/dbraw/zinc/14/92/06/1055149206.db2.gz HVKCIQFAWDGFHB-GOTSBHOMSA-N 1 1 346.474 4.436 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950342 1055160820 /nfs/dbraw/zinc/16/08/20/1055160820.db2.gz JYOXZXFMRMUMBJ-JOCHJYFZSA-N 1 1 334.463 4.338 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000877973110 1055164928 /nfs/dbraw/zinc/16/49/28/1055164928.db2.gz MHMCJOUXRWQOSW-KKSFZXQISA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000877973110 1055164932 /nfs/dbraw/zinc/16/49/32/1055164932.db2.gz MHMCJOUXRWQOSW-KKSFZXQISA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)CCCCc1ccccc1)c1ccccc1 ZINC000877971897 1055165445 /nfs/dbraw/zinc/16/54/45/1055165445.db2.gz SEQYHLHBSSQBAW-HSZRJFAPSA-N 1 1 348.490 4.382 20 30 EIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878760671 1055391698 /nfs/dbraw/zinc/39/16/98/1055391698.db2.gz KOBUQEYOCROZNC-MRXNPFEDSA-N 1 1 331.419 4.125 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000542703511 1055850993 /nfs/dbraw/zinc/85/09/93/1055850993.db2.gz UKNLORTWBONMDB-VQTJNVASSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000542703511 1055850996 /nfs/dbraw/zinc/85/09/96/1055850996.db2.gz UKNLORTWBONMDB-VQTJNVASSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1nc(C(F)(F)F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000273584145 1055966496 /nfs/dbraw/zinc/96/64/96/1055966496.db2.gz HZGXXUHSZISXIR-UHFFFAOYSA-N 1 1 337.370 4.121 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000302045625 1056010276 /nfs/dbraw/zinc/01/02/76/1056010276.db2.gz KLNLQSTTXGRTIX-UHFFFAOYSA-N 1 1 348.381 4.006 20 30 EIEDMO Cc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc1C#N ZINC000302682282 1056063051 /nfs/dbraw/zinc/06/30/51/1056063051.db2.gz XGQMQSCSJHWYIE-INIZCTEOSA-N 1 1 334.467 4.106 20 30 EIEDMO COc1ccc([C@@H]2C[C@@H]([N@@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653660 1056160806 /nfs/dbraw/zinc/16/08/06/1056160806.db2.gz NJGWTVGXRCHRQG-ICSRJNTNSA-N 1 1 328.456 4.074 20 30 EIEDMO C[N@@H+](CCCNc1cc(C#N)c2ccccc2n1)Cc1ccccc1 ZINC000304930867 1056554316 /nfs/dbraw/zinc/55/43/16/1056554316.db2.gz PRQXWUABALXJKU-UHFFFAOYSA-N 1 1 330.435 4.040 20 30 EIEDMO CC(C)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000742382913 1058583957 /nfs/dbraw/zinc/58/39/57/1058583957.db2.gz HKPIQRIINKIMDF-UHFFFAOYSA-N 1 1 327.359 4.019 20 30 EIEDMO C#CC[N@@H+](CC1CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848456 1059146854 /nfs/dbraw/zinc/14/68/54/1059146854.db2.gz QPFZNHDNMNOVQP-INIZCTEOSA-N 1 1 334.257 4.008 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc2ccncc21 ZINC000745161817 1059764573 /nfs/dbraw/zinc/76/45/73/1059764573.db2.gz GCEAYRGXGRIGBA-UHFFFAOYSA-N 1 1 329.403 4.000 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+](CCc3ccccc3)C3CC3)n2)cc1 ZINC000746025672 1059969502 /nfs/dbraw/zinc/96/95/02/1059969502.db2.gz KJECVNWMSMTMHH-UHFFFAOYSA-N 1 1 342.446 4.086 20 30 EIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000065432875 1060047491 /nfs/dbraw/zinc/04/74/91/1060047491.db2.gz MDUAKKATMPKZAC-INIZCTEOSA-N 1 1 328.419 4.266 20 30 EIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000065432875 1060047511 /nfs/dbraw/zinc/04/75/11/1060047511.db2.gz MDUAKKATMPKZAC-INIZCTEOSA-N 1 1 328.419 4.266 20 30 EIEDMO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000746312477 1060106996 /nfs/dbraw/zinc/10/69/96/1060106996.db2.gz VHMGSMSIMMMQJU-ROUUACIJSA-N 1 1 325.541 4.109 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168903308 1060510716 /nfs/dbraw/zinc/51/07/16/1060510716.db2.gz RCXDDGCTMBWMRM-HXUWFJFHSA-N 1 1 341.499 4.099 20 30 EIEDMO CCCCCCCC[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168958637 1060555600 /nfs/dbraw/zinc/55/56/00/1060555600.db2.gz XCVVTYQICQVNIJ-UHFFFAOYSA-N 1 1 346.515 4.090 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1cccc(C#N)c1 ZINC000038039179 213195487 /nfs/dbraw/zinc/19/54/87/213195487.db2.gz NKKYJDQGMGCAQO-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017265 721835944 /nfs/dbraw/zinc/83/59/44/721835944.db2.gz JRNKVZBEPIHXTL-IBGZPJMESA-N 1 1 326.488 4.291 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512626126 1033540734 /nfs/dbraw/zinc/54/07/34/1033540734.db2.gz SCNSRGLKMYQQRK-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C=CCC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCCC1 ZINC000449927337 1032129874 /nfs/dbraw/zinc/12/98/74/1032129874.db2.gz OIHVKOHBQCHKKR-UHFFFAOYSA-N 1 1 341.499 4.002 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475662105 1032215922 /nfs/dbraw/zinc/21/59/22/1032215922.db2.gz PSBXLLQUDPCAAQ-QHCPKHFHSA-N 1 1 348.490 4.057 20 30 EIEDMO CCN(CC)c1ncc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000508621244 1032231090 /nfs/dbraw/zinc/23/10/90/1032231090.db2.gz SPOWYUTTYJQJCO-OAHLLOKOSA-N 1 1 342.512 4.444 20 30 EIEDMO Cc1cnc([C@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000360078882 1032238654 /nfs/dbraw/zinc/23/86/54/1032238654.db2.gz YRTBNDIEOUPQNG-YOEHRIQHSA-N 1 1 341.480 4.122 20 30 EIEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000450058052 1032243517 /nfs/dbraw/zinc/24/35/17/1032243517.db2.gz GSHDICBPBJIHEE-AZUAARDMSA-N 1 1 340.511 4.292 20 30 EIEDMO COc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C#N ZINC000532730816 1032281339 /nfs/dbraw/zinc/28/13/39/1032281339.db2.gz ISHBJAACTZSCJY-KRWDZBQOSA-N 1 1 349.478 4.411 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764150 1032469202 /nfs/dbraw/zinc/46/92/02/1032469202.db2.gz QKCRALXISYWRLE-XLIONFOSSA-N 1 1 348.446 4.215 20 30 EIEDMO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccn1 ZINC000533309165 1032640866 /nfs/dbraw/zinc/64/08/66/1032640866.db2.gz JLBZJTGMMHVRIF-HNNXBMFYSA-N 1 1 341.430 4.196 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000579721448 1018815101 /nfs/dbraw/zinc/81/51/01/1018815101.db2.gz SSYLDSKELSUKRD-QGZVFWFLSA-N 1 1 337.467 4.245 20 30 EIEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126851689 1018914971 /nfs/dbraw/zinc/91/49/71/1018914971.db2.gz DNLGMKMMBKAOBE-NHCUHLMSSA-N 1 1 349.478 4.022 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187086281 1019215878 /nfs/dbraw/zinc/21/58/78/1019215878.db2.gz VNTARPGARQKKNO-KRWDZBQOSA-N 1 1 340.854 4.250 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187086281 1019215888 /nfs/dbraw/zinc/21/58/88/1019215888.db2.gz VNTARPGARQKKNO-KRWDZBQOSA-N 1 1 340.854 4.250 20 30 EIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000430211321 1019365597 /nfs/dbraw/zinc/36/55/97/1019365597.db2.gz XRSUNNWVYVZCPX-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208860260 1019753671 /nfs/dbraw/zinc/75/36/71/1019753671.db2.gz IOKWQBLLMKDSQI-SFHVURJKSA-N 1 1 336.479 4.453 20 30 EIEDMO CC1(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000339709590 1019838518 /nfs/dbraw/zinc/83/85/18/1019838518.db2.gz DWEPXUOUIWAXAI-UYAOXDASSA-N 1 1 349.478 4.248 20 30 EIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001167094023 1019902786 /nfs/dbraw/zinc/90/27/86/1019902786.db2.gz AVUPGGKQNSNFSK-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218632 /nfs/dbraw/zinc/21/86/32/1020218632.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 1 1 347.506 4.387 20 30 EIEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218636 /nfs/dbraw/zinc/21/86/36/1020218636.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218645 /nfs/dbraw/zinc/21/86/45/1020218645.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218655 /nfs/dbraw/zinc/21/86/55/1020218655.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 1 1 347.506 4.387 20 30 EIEDMO C#CC[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178769 1020487202 /nfs/dbraw/zinc/48/72/02/1020487202.db2.gz KJFWRCQXNQPHEF-RYQLBKOJSA-N 1 1 337.385 4.109 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001167251122 1020671453 /nfs/dbraw/zinc/67/14/53/1020671453.db2.gz ARRFWATWNCEOSI-FCHUYYIVSA-N 1 1 332.447 4.467 20 30 EIEDMO CC1CC[NH+](C[C@@H]2CCCN(CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254980 1020681732 /nfs/dbraw/zinc/68/17/32/1020681732.db2.gz CHCODQKQQOALRM-HXUWFJFHSA-N 1 1 331.548 4.294 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612959 1020929861 /nfs/dbraw/zinc/92/98/61/1020929861.db2.gz PFYMDJDHEPAPOG-GOSISDBHSA-N 1 1 334.410 4.202 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000177046290 1020952040 /nfs/dbraw/zinc/95/20/40/1020952040.db2.gz IOQIUKWZIKSALP-FQEVSTJZSA-N 1 1 330.435 4.265 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000177046290 1020952043 /nfs/dbraw/zinc/95/20/43/1020952043.db2.gz IOQIUKWZIKSALP-FQEVSTJZSA-N 1 1 330.435 4.265 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000177257591 1020963250 /nfs/dbraw/zinc/96/32/50/1020963250.db2.gz HCENQMWTAYXMGT-AWEZNQCLSA-N 1 1 341.480 4.177 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000177257591 1020963259 /nfs/dbraw/zinc/96/32/59/1020963259.db2.gz HCENQMWTAYXMGT-AWEZNQCLSA-N 1 1 341.480 4.177 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000572845010 1021088227 /nfs/dbraw/zinc/08/82/27/1021088227.db2.gz AANDNPWRFCNXLB-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000572845010 1021088234 /nfs/dbraw/zinc/08/82/34/1021088234.db2.gz AANDNPWRFCNXLB-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO C=C(C)C[N@H+](CCOc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512522837 1032983189 /nfs/dbraw/zinc/98/31/89/1032983189.db2.gz ZTIBKELNUXTNMG-UHFFFAOYSA-N 1 1 331.435 4.060 20 30 EIEDMO N#Cc1csc(CNCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000177692990 1021523673 /nfs/dbraw/zinc/52/36/73/1021523673.db2.gz ZITDSCNPNLTXOO-UHFFFAOYSA-N 1 1 339.508 4.286 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c(F)c1 ZINC000610370718 1021548400 /nfs/dbraw/zinc/54/84/00/1021548400.db2.gz LYHLUVWQYSBUTG-INIZCTEOSA-N 1 1 326.440 4.312 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000187594004 1021707664 /nfs/dbraw/zinc/70/76/64/1021707664.db2.gz GOVCMURPUTYCKT-ZBFHGGJFSA-N 1 1 342.389 4.245 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993724 1021848950 /nfs/dbraw/zinc/84/89/50/1021848950.db2.gz FWLBLGNDFBDOBU-MOPGFXCFSA-N 1 1 326.827 4.082 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000581740724 1021865407 /nfs/dbraw/zinc/86/54/07/1021865407.db2.gz KBQMCJMUJRGAHC-UHFFFAOYSA-N 1 1 345.874 4.195 20 30 EIEDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000414146685 1021963623 /nfs/dbraw/zinc/96/36/23/1021963623.db2.gz QQTOXSPRUACXEB-DZGCQCFKSA-N 1 1 343.452 4.015 20 30 EIEDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C2CC2)c1 ZINC000579674708 1022088897 /nfs/dbraw/zinc/08/88/97/1022088897.db2.gz KXIFFCNQEOWFEN-CQSZACIVSA-N 1 1 344.418 4.336 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC001167412533 1022104857 /nfs/dbraw/zinc/10/48/57/1022104857.db2.gz MQICIIDJHDIMLW-MGPUTAFESA-N 1 1 338.476 4.245 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000610447486 1022232656 /nfs/dbraw/zinc/23/26/56/1022232656.db2.gz HAODHJWNUIMVMQ-UHFFFAOYSA-N 1 1 328.456 4.490 20 30 EIEDMO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000255684628 1022370503 /nfs/dbraw/zinc/37/05/03/1022370503.db2.gz PXBMDDLWLGSMRU-QZTJIDSGSA-N 1 1 349.478 4.161 20 30 EIEDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1C ZINC000341297119 1022379886 /nfs/dbraw/zinc/37/98/86/1022379886.db2.gz YIGZOMFCXFWNOO-INIZCTEOSA-N 1 1 330.435 4.118 20 30 EIEDMO N#CC(CC[N@@H+]1CCOCC12CCC2)(c1ccccc1)c1ccccc1 ZINC000472574873 1022387760 /nfs/dbraw/zinc/38/77/60/1022387760.db2.gz RZQRZMHRYQODPZ-UHFFFAOYSA-N 1 1 346.474 4.141 20 30 EIEDMO N#CC(CC[N@H+]1CCOCC12CCC2)(c1ccccc1)c1ccccc1 ZINC000472574873 1022387777 /nfs/dbraw/zinc/38/77/77/1022387777.db2.gz RZQRZMHRYQODPZ-UHFFFAOYSA-N 1 1 346.474 4.141 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(F)c(F)c1 ZINC000187795248 1022391567 /nfs/dbraw/zinc/39/15/67/1022391567.db2.gz BFGDCSIGFLKZOY-LJQANCHMSA-N 1 1 328.362 4.252 20 30 EIEDMO N#Cc1cnc2ccccc2c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311542936 1022422350 /nfs/dbraw/zinc/42/23/50/1022422350.db2.gz UGHUHPDQPMUSLI-GOSISDBHSA-N 1 1 342.446 4.040 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659921349 1022572255 /nfs/dbraw/zinc/57/22/55/1022572255.db2.gz WCHQXHPONCVTRV-IBGZPJMESA-N 1 1 334.548 4.339 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691423 1033070579 /nfs/dbraw/zinc/07/05/79/1033070579.db2.gz CARHJGRZXLMLSA-WQVCFCJDSA-N 1 1 326.337 4.268 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691423 1033070598 /nfs/dbraw/zinc/07/05/98/1033070598.db2.gz CARHJGRZXLMLSA-WQVCFCJDSA-N 1 1 326.337 4.268 20 30 EIEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cc1Br ZINC001167439515 1022719930 /nfs/dbraw/zinc/71/99/30/1022719930.db2.gz YOZCCVLLWUQCPM-IFIJOSMWSA-N 1 1 333.273 4.474 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1Br ZINC001167439517 1022722175 /nfs/dbraw/zinc/72/21/75/1022722175.db2.gz YOZCCVLLWUQCPM-SUYBPPKGSA-N 1 1 333.273 4.474 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)ccc1F ZINC000378391080 1022783426 /nfs/dbraw/zinc/78/34/26/1022783426.db2.gz BENLCLLZTPZDTH-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)ccc1F ZINC000378391080 1022783449 /nfs/dbraw/zinc/78/34/49/1022783449.db2.gz BENLCLLZTPZDTH-UHFFFAOYSA-N 1 1 327.790 4.035 20 30 EIEDMO CC[C@@H](CC(F)F)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970921 1022790041 /nfs/dbraw/zinc/79/00/41/1022790041.db2.gz SDIQCTWRSGLMER-XHNCKOQMSA-N 1 1 327.259 4.340 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1F ZINC000340945561 1022998691 /nfs/dbraw/zinc/99/86/91/1022998691.db2.gz YHYCKLUBKVXEPL-UHFFFAOYSA-N 1 1 346.352 4.019 20 30 EIEDMO C[C@@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CCCSCC#N ZINC000364034562 1023165327 /nfs/dbraw/zinc/16/53/27/1023165327.db2.gz ODSSWJPURZLPOB-INIZCTEOSA-N 1 1 325.481 4.388 20 30 EIEDMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCCC#N)CC2 ZINC000071805552 1023210708 /nfs/dbraw/zinc/21/07/08/1023210708.db2.gz ZQYZPURJADVTHO-IBGZPJMESA-N 1 1 342.464 4.017 20 30 EIEDMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCCC#N)CC2 ZINC000071805552 1023210729 /nfs/dbraw/zinc/21/07/29/1023210729.db2.gz ZQYZPURJADVTHO-IBGZPJMESA-N 1 1 342.464 4.017 20 30 EIEDMO Cn1cccc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000510431643 1023364943 /nfs/dbraw/zinc/36/49/43/1023364943.db2.gz PWLLSVVCDKESGR-UHFFFAOYSA-N 1 1 333.410 4.238 20 30 EIEDMO Cn1cccc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000510431643 1023364950 /nfs/dbraw/zinc/36/49/50/1023364950.db2.gz PWLLSVVCDKESGR-UHFFFAOYSA-N 1 1 333.410 4.238 20 30 EIEDMO C=CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)CC1CCCCC1 ZINC000549137329 1023365300 /nfs/dbraw/zinc/36/53/00/1023365300.db2.gz QGXQDEXIOQPNRS-HXUWFJFHSA-N 1 1 340.511 4.217 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000276373696 1023396187 /nfs/dbraw/zinc/39/61/87/1023396187.db2.gz DNYFPVAJPYVMAZ-MOPGFXCFSA-N 1 1 341.499 4.287 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1nc(C#N)cs1 ZINC000584868179 1023407452 /nfs/dbraw/zinc/40/74/52/1023407452.db2.gz TZGYRYVJBQHOIQ-CQSZACIVSA-N 1 1 326.469 4.314 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1nc(C#N)cs1 ZINC000584868179 1023407457 /nfs/dbraw/zinc/40/74/57/1023407457.db2.gz TZGYRYVJBQHOIQ-CQSZACIVSA-N 1 1 326.469 4.314 20 30 EIEDMO N#CCSCCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180460 1023434062 /nfs/dbraw/zinc/43/40/62/1023434062.db2.gz PAZFVFVDOSQETG-OAHLLOKOSA-N 1 1 346.393 4.223 20 30 EIEDMO COC1([C@H]([NH2+]CC2(C#N)CC2)c2cccc(C(F)(F)F)c2)CCC1 ZINC000926873305 1023565693 /nfs/dbraw/zinc/56/56/93/1023565693.db2.gz FIRDGNUUZYRNFW-OAHLLOKOSA-N 1 1 338.373 4.209 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C#N)cc1 ZINC000278830919 1023572231 /nfs/dbraw/zinc/57/22/31/1023572231.db2.gz TXZDVGZNKKEROO-GOSISDBHSA-N 1 1 327.428 4.102 20 30 EIEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000472838553 1023698157 /nfs/dbraw/zinc/69/81/57/1023698157.db2.gz ZKRXJRYGIDKGID-SFHVURJKSA-N 1 1 327.472 4.178 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000759842341 1023703225 /nfs/dbraw/zinc/70/32/25/1023703225.db2.gz CHQTVEQYZLCLEL-YJYMSZOUSA-N 1 1 346.833 4.467 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000759842340 1023703993 /nfs/dbraw/zinc/70/39/93/1023703993.db2.gz CHQTVEQYZLCLEL-ORAYPTAESA-N 1 1 346.833 4.467 20 30 EIEDMO CC(C)(C#N)CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000471711016 1023726172 /nfs/dbraw/zinc/72/61/72/1023726172.db2.gz FIDHANMQMCOVFC-UHFFFAOYSA-N 1 1 335.495 4.287 20 30 EIEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000644803232 1023735326 /nfs/dbraw/zinc/73/53/26/1023735326.db2.gz KRJRIIYMVGIPLL-SLFFLAALSA-N 1 1 340.511 4.006 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000053722056 1023785989 /nfs/dbraw/zinc/78/59/89/1023785989.db2.gz MUUBBXVYAJGXEC-QGZVFWFLSA-N 1 1 347.462 4.379 20 30 EIEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1[N+](=O)[O-] ZINC000187443509 1023788861 /nfs/dbraw/zinc/78/88/61/1023788861.db2.gz OXMDCEPJGFOZRE-GFCCVEGCSA-N 1 1 329.787 4.279 20 30 EIEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511731817 1023843343 /nfs/dbraw/zinc/84/33/43/1023843343.db2.gz QTPBTQOLXQHKAQ-FCHUYYIVSA-N 1 1 348.490 4.127 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511769121 1023876013 /nfs/dbraw/zinc/87/60/13/1023876013.db2.gz MMCOUKROULFSBA-HKUYNNGSSA-N 1 1 328.500 4.006 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341574928 1023882373 /nfs/dbraw/zinc/88/23/73/1023882373.db2.gz PIAITZHXLFIIFK-MRXNPFEDSA-N 1 1 334.341 4.350 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000610574615 1023954636 /nfs/dbraw/zinc/95/46/36/1023954636.db2.gz KBXGVQJHGHPNFT-SNVBAGLBSA-N 1 1 346.645 4.059 20 30 EIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)c1C ZINC001167493540 1024341451 /nfs/dbraw/zinc/34/14/51/1024341451.db2.gz ZNOLYDNWXIWREQ-ICSRJNTNSA-N 1 1 326.484 4.275 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000893971030 1033208684 /nfs/dbraw/zinc/20/86/84/1033208684.db2.gz ALVLXJVNPHWIDD-NWDGAFQWSA-N 1 1 332.835 4.369 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662086854 1024852972 /nfs/dbraw/zinc/85/29/72/1024852972.db2.gz ZJZOHIJZWIEYIB-BNOWGMLFSA-N 1 1 329.469 4.258 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662086854 1024852976 /nfs/dbraw/zinc/85/29/76/1024852976.db2.gz ZJZOHIJZWIEYIB-BNOWGMLFSA-N 1 1 329.469 4.258 20 30 EIEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872172 1024897869 /nfs/dbraw/zinc/89/78/69/1024897869.db2.gz SZQOXPSAJACAEA-OALUTQOASA-N 1 1 346.434 4.250 20 30 EIEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872172 1024897876 /nfs/dbraw/zinc/89/78/76/1024897876.db2.gz SZQOXPSAJACAEA-OALUTQOASA-N 1 1 346.434 4.250 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000341922914 1024995509 /nfs/dbraw/zinc/99/55/09/1024995509.db2.gz BMCGEQDLTWRXKT-LJQANCHMSA-N 1 1 344.418 4.405 20 30 EIEDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000610830030 1025051913 /nfs/dbraw/zinc/05/19/13/1025051913.db2.gz YOUARGKDKYAIAQ-JKSUJKDBSA-N 1 1 345.450 4.168 20 30 EIEDMO COc1ccccc1/C=C\C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840940 1025106431 /nfs/dbraw/zinc/10/64/31/1025106431.db2.gz NCRBKWXODRCBBE-XQRVVYSFSA-N 1 1 330.431 4.369 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000051559862 1025233593 /nfs/dbraw/zinc/23/35/93/1025233593.db2.gz YENLJTSYMZOTSP-UHFFFAOYSA-N 1 1 329.444 4.314 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000051559862 1025233605 /nfs/dbraw/zinc/23/36/05/1025233605.db2.gz YENLJTSYMZOTSP-UHFFFAOYSA-N 1 1 329.444 4.314 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)ccn1 ZINC000610992420 1025236647 /nfs/dbraw/zinc/23/66/47/1025236647.db2.gz CKKBDYOCAHVTOY-UHFFFAOYSA-N 1 1 349.434 4.017 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1Br ZINC000181912477 1025337633 /nfs/dbraw/zinc/33/76/33/1025337633.db2.gz NZQNSQHDYLLREU-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000893605776 1025343630 /nfs/dbraw/zinc/34/36/30/1025343630.db2.gz JWQFCODKLVOKJJ-MRXNPFEDSA-N 1 1 340.377 4.061 20 30 EIEDMO CN(CCC#N)c1ccc(C=[NH+]Nc2cccc3cnccc32)cc1 ZINC000728431782 1025383374 /nfs/dbraw/zinc/38/33/74/1025383374.db2.gz DHYPRKRKZVMOKY-UHFFFAOYSA-N 1 1 329.407 4.031 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585718047 1025800971 /nfs/dbraw/zinc/80/09/71/1025800971.db2.gz AYHMJZQPHLODRQ-IBGZPJMESA-N 1 1 333.907 4.349 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000512039720 1025823971 /nfs/dbraw/zinc/82/39/71/1025823971.db2.gz MYOUAHSTABHQKH-UHFFFAOYSA-N 1 1 346.352 4.487 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000512039720 1025823972 /nfs/dbraw/zinc/82/39/72/1025823972.db2.gz MYOUAHSTABHQKH-UHFFFAOYSA-N 1 1 346.352 4.487 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cscc2C#N)cc1 ZINC000432400102 1025864863 /nfs/dbraw/zinc/86/48/63/1025864863.db2.gz JMYLDYJHSCYXCQ-CQSZACIVSA-N 1 1 339.464 4.246 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000111395328 1026160759 /nfs/dbraw/zinc/16/07/59/1026160759.db2.gz VIOPUQWBUWLEOG-UHFFFAOYSA-N 1 1 340.442 4.281 20 30 EIEDMO Fc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1OC(F)(F)F ZINC001143436700 1026180972 /nfs/dbraw/zinc/18/09/72/1026180972.db2.gz RTKNYYSZXYBYNY-GFCCVEGCSA-N 1 1 345.258 4.294 20 30 EIEDMO CN1CCC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390279 /nfs/dbraw/zinc/39/02/79/1026390279.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 1 1 345.490 4.143 20 30 EIEDMO CN1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390290 /nfs/dbraw/zinc/39/02/90/1026390290.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 1 1 345.490 4.143 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143444384 1026394505 /nfs/dbraw/zinc/39/45/05/1026394505.db2.gz SIAWEFISUAIYHF-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccncc2)n1 ZINC000279464963 1026438870 /nfs/dbraw/zinc/43/88/70/1026438870.db2.gz UVRMVCYCWZMUDV-HXUWFJFHSA-N 1 1 349.482 4.013 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512294249 1026659397 /nfs/dbraw/zinc/65/93/97/1026659397.db2.gz OCDZZVSDKIXYSX-INIZCTEOSA-N 1 1 336.435 4.171 20 30 EIEDMO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccc(Br)cc2)cn1 ZINC001139774776 1026683398 /nfs/dbraw/zinc/68/33/98/1026683398.db2.gz VSVCZKRMKBSUJM-ZDUSSCGKSA-N 1 1 334.261 4.025 20 30 EIEDMO CC(C)[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173093 1026685041 /nfs/dbraw/zinc/68/50/41/1026685041.db2.gz KKDKCRCMLCELJD-SFHVURJKSA-N 1 1 341.480 4.277 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173093 1026685048 /nfs/dbraw/zinc/68/50/48/1026685048.db2.gz KKDKCRCMLCELJD-SFHVURJKSA-N 1 1 341.480 4.277 20 30 EIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1C ZINC000479006811 1026707910 /nfs/dbraw/zinc/70/79/10/1026707910.db2.gz PFVVSTJZPSUCOG-UHFFFAOYSA-N 1 1 341.480 4.006 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1C ZINC000479006811 1026707916 /nfs/dbraw/zinc/70/79/16/1026707916.db2.gz PFVVSTJZPSUCOG-UHFFFAOYSA-N 1 1 341.480 4.006 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OCC(C)C ZINC000507248864 1026722584 /nfs/dbraw/zinc/72/25/84/1026722584.db2.gz YCNLKKPZPWDWNV-UHFFFAOYSA-N 1 1 338.451 4.234 20 30 EIEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135117956 1026775735 /nfs/dbraw/zinc/77/57/35/1026775735.db2.gz VJXKMZSKECPQRY-NPMXOYFQSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135117956 1026775745 /nfs/dbraw/zinc/77/57/45/1026775745.db2.gz VJXKMZSKECPQRY-NPMXOYFQSA-N 1 1 345.895 4.122 20 30 EIEDMO Cc1cccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)CC(C)C)c1 ZINC000507721877 1026887110 /nfs/dbraw/zinc/88/71/10/1026887110.db2.gz BPYJVEPFJPJADO-UHFFFAOYSA-N 1 1 332.451 4.173 20 30 EIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001167598529 1026941266 /nfs/dbraw/zinc/94/12/66/1026941266.db2.gz IAOIFXKXETZNPD-OAQYLSRUSA-N 1 1 349.434 4.311 20 30 EIEDMO CC[N@@H+](CCC1(C#N)CCCCC1)[C@H](COC)Cc1ccccc1 ZINC001167601321 1026967324 /nfs/dbraw/zinc/96/73/24/1026967324.db2.gz BDUYWKSCHIYVFO-FQEVSTJZSA-N 1 1 328.500 4.430 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(F)c(F)c1 ZINC000440621575 1026985574 /nfs/dbraw/zinc/98/55/74/1026985574.db2.gz RHMUXNLPXYDONI-CQSZACIVSA-N 1 1 331.288 4.114 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908016 1027042388 /nfs/dbraw/zinc/04/23/88/1027042388.db2.gz BAMALTWEPFKZSK-CQSZACIVSA-N 1 1 342.405 4.123 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908016 1027042398 /nfs/dbraw/zinc/04/23/98/1027042398.db2.gz BAMALTWEPFKZSK-CQSZACIVSA-N 1 1 342.405 4.123 20 30 EIEDMO Cc1nc2ccccn2c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507730577 1027077416 /nfs/dbraw/zinc/07/74/16/1027077416.db2.gz FYRGTTQSDPLJIS-UHFFFAOYSA-N 1 1 332.451 4.173 20 30 EIEDMO CC(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000507730097 1027081951 /nfs/dbraw/zinc/08/19/51/1027081951.db2.gz CSGYIAFSAAPBES-UHFFFAOYSA-N 1 1 329.425 4.186 20 30 EIEDMO CC(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000507730097 1027081955 /nfs/dbraw/zinc/08/19/55/1027081955.db2.gz CSGYIAFSAAPBES-UHFFFAOYSA-N 1 1 329.425 4.186 20 30 EIEDMO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745622 1027223643 /nfs/dbraw/zinc/22/36/43/1027223643.db2.gz RRWSUBDIQYAGIS-JTSKRJEESA-N 1 1 333.479 4.360 20 30 EIEDMO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745622 1027223660 /nfs/dbraw/zinc/22/36/60/1027223660.db2.gz RRWSUBDIQYAGIS-JTSKRJEESA-N 1 1 333.479 4.360 20 30 EIEDMO CCc1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173448 1027272746 /nfs/dbraw/zinc/27/27/46/1027272746.db2.gz KSDTXDNMXWOVRJ-UHFFFAOYSA-N 1 1 349.478 4.217 20 30 EIEDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173564 1027273194 /nfs/dbraw/zinc/27/31/94/1027273194.db2.gz PYXILICPLCWVAA-UHFFFAOYSA-N 1 1 344.462 4.468 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@](C)(OC)CC2)ccc1OC ZINC000475565455 1027649044 /nfs/dbraw/zinc/64/90/44/1027649044.db2.gz PSYDQOAJIGAJDQ-HXUWFJFHSA-N 1 1 333.472 4.041 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3cccc(F)c3C#N)c2)C[C@H](C)O1 ZINC000609964258 1027699559 /nfs/dbraw/zinc/69/95/59/1027699559.db2.gz BSCJOTVAXRESKD-GASCZTMLSA-N 1 1 339.414 4.050 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000329367560 1027749540 /nfs/dbraw/zinc/74/95/40/1027749540.db2.gz HMAONXMPAFVGMX-RDTXWAMCSA-N 1 1 342.418 4.024 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328720210 1027791171 /nfs/dbraw/zinc/79/11/71/1027791171.db2.gz VZAITPPXAGYIFO-GOEBONIOSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328720210 1027791184 /nfs/dbraw/zinc/79/11/84/1027791184.db2.gz VZAITPPXAGYIFO-GOEBONIOSA-N 1 1 346.862 4.159 20 30 EIEDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000444652149 1027924393 /nfs/dbraw/zinc/92/43/93/1027924393.db2.gz WRCBGBAXFYXUOV-ROUUACIJSA-N 1 1 334.504 4.150 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCC[C@H]1C ZINC000444668375 1027952896 /nfs/dbraw/zinc/95/28/96/1027952896.db2.gz CDSZCWMINDDFHB-DYVFJYSZSA-N 1 1 333.863 4.051 20 30 EIEDMO CC[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc(C)cs1 ZINC000329676367 1027970331 /nfs/dbraw/zinc/97/03/31/1027970331.db2.gz PPAVARVBGPTBBP-DZPQGLOJSA-N 1 1 347.528 4.418 20 30 EIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428310551 1028020950 /nfs/dbraw/zinc/02/09/50/1028020950.db2.gz OQXNLIHNUVTGTI-HNNXBMFYSA-N 1 1 326.415 4.017 20 30 EIEDMO Cc1ccc(F)c(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000444740526 1028026842 /nfs/dbraw/zinc/02/68/42/1028026842.db2.gz BUQBZLARVJQDDL-UHFFFAOYSA-N 1 1 348.425 4.038 20 30 EIEDMO Cc1ccc(F)c(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000444740526 1028026859 /nfs/dbraw/zinc/02/68/59/1028026859.db2.gz BUQBZLARVJQDDL-UHFFFAOYSA-N 1 1 348.425 4.038 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774572 1028058657 /nfs/dbraw/zinc/05/86/57/1028058657.db2.gz JQPFKBMAYMJRQU-CVEARBPZSA-N 1 1 335.492 4.370 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774572 1028058679 /nfs/dbraw/zinc/05/86/79/1028058679.db2.gz JQPFKBMAYMJRQU-CVEARBPZSA-N 1 1 335.492 4.370 20 30 EIEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1OC(F)F ZINC000278100207 1028086642 /nfs/dbraw/zinc/08/66/42/1028086642.db2.gz KETFOTTXNDQSFS-UHFFFAOYSA-N 1 1 340.414 4.448 20 30 EIEDMO CSc1nc(C[N@@H+](C)CCc2ccc(Cl)cc2)ccc1C#N ZINC001141941761 1028089489 /nfs/dbraw/zinc/08/94/89/1028089489.db2.gz WOSMWYQVNKKTTN-UHFFFAOYSA-N 1 1 331.872 4.003 20 30 EIEDMO COCCSc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428315920 1028145746 /nfs/dbraw/zinc/14/57/46/1028145746.db2.gz PYZCJDOYRYDXPM-AWEZNQCLSA-N 1 1 344.455 4.287 20 30 EIEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000523557791 1028215336 /nfs/dbraw/zinc/21/53/36/1028215336.db2.gz AQAWRVMPHHPNDU-QGZVFWFLSA-N 1 1 334.529 4.262 20 30 EIEDMO Cn1c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2nc1C1CC1 ZINC000330301546 1028359390 /nfs/dbraw/zinc/35/93/90/1028359390.db2.gz NVWISBNERLUKQP-INIZCTEOSA-N 1 1 340.471 4.303 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000346358729 1028398658 /nfs/dbraw/zinc/39/86/58/1028398658.db2.gz HGPYMQHBVNIUJB-QGZVFWFLSA-N 1 1 330.472 4.246 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428398308 1028438200 /nfs/dbraw/zinc/43/82/00/1028438200.db2.gz LDOWHTVUIMMWHF-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000034992238 1028855695 /nfs/dbraw/zinc/85/56/95/1028855695.db2.gz LGQOWPFOENGCMB-AWEZNQCLSA-N 1 1 344.252 4.312 20 30 EIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281869165 1028902002 /nfs/dbraw/zinc/90/20/02/1028902002.db2.gz CDBIAWVJLQZDFD-AZUAARDMSA-N 1 1 326.484 4.040 20 30 EIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876131 1028904685 /nfs/dbraw/zinc/90/46/85/1028904685.db2.gz CPGNIGBDFMIAOL-LPHOPBHVSA-N 1 1 330.447 4.309 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCC3(CCCC3)C2)c2ccccc21 ZINC000445867551 1028974395 /nfs/dbraw/zinc/97/43/95/1028974395.db2.gz WJYPUYXUQGKDOC-UHFFFAOYSA-N 1 1 349.478 4.394 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000522836486 1028986154 /nfs/dbraw/zinc/98/61/54/1028986154.db2.gz BXDWFGHRUCANJP-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000522836486 1028986163 /nfs/dbraw/zinc/98/61/63/1028986163.db2.gz BXDWFGHRUCANJP-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO Cc1oc2ccccc2c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583661400 1029009725 /nfs/dbraw/zinc/00/97/25/1029009725.db2.gz MLXIAGHHIATNMY-UHFFFAOYSA-N 1 1 334.419 4.262 20 30 EIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)CCc1cccc(F)c1 ZINC000281968402 1029027645 /nfs/dbraw/zinc/02/76/45/1029027645.db2.gz KXJTZHNDKNGQNO-UHFFFAOYSA-N 1 1 332.463 4.181 20 30 EIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281976791 1029040440 /nfs/dbraw/zinc/04/04/40/1029040440.db2.gz LOGHJHIOQAOLLI-LPHOPBHVSA-N 1 1 330.447 4.309 20 30 EIEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281985393 1029050069 /nfs/dbraw/zinc/05/00/69/1029050069.db2.gz MJLYPPWOZMEBRL-HNNXBMFYSA-N 1 1 343.496 4.390 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522981497 1029146987 /nfs/dbraw/zinc/14/69/87/1029146987.db2.gz UBEOPOVUHFGBLP-GOSISDBHSA-N 1 1 343.515 4.169 20 30 EIEDMO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000343448155 1029272546 /nfs/dbraw/zinc/27/25/46/1029272546.db2.gz ZNKHEMIKHQSQBF-KRWDZBQOSA-N 1 1 334.467 4.248 20 30 EIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000525329092 1029574062 /nfs/dbraw/zinc/57/40/62/1029574062.db2.gz YYPHOPSOZQCIIL-CQSZACIVSA-N 1 1 327.209 4.004 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)cc1 ZINC000343585201 1029550937 /nfs/dbraw/zinc/55/09/37/1029550937.db2.gz WLAOVMMDTPVTSP-UHFFFAOYSA-N 1 1 347.871 4.124 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)c1C ZINC000525274442 1029561058 /nfs/dbraw/zinc/56/10/58/1029561058.db2.gz KRSGQLFLDDCSOZ-IBGZPJMESA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)ccc1F ZINC000536203475 1029566778 /nfs/dbraw/zinc/56/67/78/1029566778.db2.gz JYEHKIFKQXZUTR-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2)cc(OC)c1O ZINC000446977675 1029657357 /nfs/dbraw/zinc/65/73/57/1029657357.db2.gz QLKRGSXTUBNORQ-UHFFFAOYSA-N 1 1 333.378 4.040 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000278679388 1029680902 /nfs/dbraw/zinc/68/09/02/1029680902.db2.gz HYMZTTXXJWVAKY-LLVKDONJSA-N 1 1 340.370 4.025 20 30 EIEDMO Cc1ccc([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c(C)c1 ZINC000441196585 1029693505 /nfs/dbraw/zinc/69/35/05/1029693505.db2.gz DIIXLYTWBXPVRP-INIZCTEOSA-N 1 1 346.434 4.418 20 30 EIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c(C)c1 ZINC000441196585 1029693509 /nfs/dbraw/zinc/69/35/09/1029693509.db2.gz DIIXLYTWBXPVRP-INIZCTEOSA-N 1 1 346.434 4.418 20 30 EIEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690635 1029696578 /nfs/dbraw/zinc/69/65/78/1029696578.db2.gz SESKNVMRKYGSGJ-KNQAVFIVSA-N 1 1 345.490 4.086 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000565125549 1029743735 /nfs/dbraw/zinc/74/37/35/1029743735.db2.gz ACGKXAZUGHYZQT-GOSISDBHSA-N 1 1 331.843 4.382 20 30 EIEDMO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750084 1029806647 /nfs/dbraw/zinc/80/66/47/1029806647.db2.gz NTXDIIMMLJTUSV-SCWSEQNSSA-N 1 1 325.500 4.252 20 30 EIEDMO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750084 1029806648 /nfs/dbraw/zinc/80/66/48/1029806648.db2.gz NTXDIIMMLJTUSV-SCWSEQNSSA-N 1 1 325.500 4.252 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1F ZINC000584444731 1029875980 /nfs/dbraw/zinc/87/59/80/1029875980.db2.gz QOKJVMQOJNWYAH-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO CC#CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391939 1030056734 /nfs/dbraw/zinc/05/67/34/1030056734.db2.gz ATGCEJSVCBKMFD-OAHLLOKOSA-N 1 1 326.465 4.021 20 30 EIEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000184255227 1030067744 /nfs/dbraw/zinc/06/77/44/1030067744.db2.gz KGQSZRYIVIKMGH-UHFFFAOYSA-N 1 1 338.386 4.007 20 30 EIEDMO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000441275503 1030123913 /nfs/dbraw/zinc/12/39/13/1030123913.db2.gz HSDFPWKMRDDDNQ-INIZCTEOSA-N 1 1 346.434 4.418 20 30 EIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000441275503 1030123922 /nfs/dbraw/zinc/12/39/22/1030123922.db2.gz HSDFPWKMRDDDNQ-INIZCTEOSA-N 1 1 346.434 4.418 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(CC#N)cc3)nc2c1 ZINC000451012017 1030177926 /nfs/dbraw/zinc/17/79/26/1030177926.db2.gz FVXDTMLCSZAVFC-FQEVSTJZSA-N 1 1 330.435 4.275 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(CC#N)cc3)nc2c1 ZINC000451012017 1030177948 /nfs/dbraw/zinc/17/79/48/1030177948.db2.gz FVXDTMLCSZAVFC-FQEVSTJZSA-N 1 1 330.435 4.275 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3ccc(CC#N)cc3)[nH]c2c1 ZINC000451012017 1030177966 /nfs/dbraw/zinc/17/79/66/1030177966.db2.gz FVXDTMLCSZAVFC-FQEVSTJZSA-N 1 1 330.435 4.275 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3ccc(CC#N)cc3)[nH]c2c1 ZINC000451012017 1030177984 /nfs/dbraw/zinc/17/79/84/1030177984.db2.gz FVXDTMLCSZAVFC-FQEVSTJZSA-N 1 1 330.435 4.275 20 30 EIEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000526027827 1030226750 /nfs/dbraw/zinc/22/67/50/1030226750.db2.gz VWGLIOGWQVYINP-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000526061824 1030256427 /nfs/dbraw/zinc/25/64/27/1030256427.db2.gz JSDQLRGCJAZBDL-CYBMUJFWSA-N 1 1 345.240 4.491 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000447680555 1030268554 /nfs/dbraw/zinc/26/85/54/1030268554.db2.gz RHQCBJZMAOJPNU-MRXNPFEDSA-N 1 1 336.483 4.008 20 30 EIEDMO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781755 1030335158 /nfs/dbraw/zinc/33/51/58/1030335158.db2.gz GONIMGWQLQEPOF-MRXNPFEDSA-N 1 1 339.870 4.090 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942314 1030356773 /nfs/dbraw/zinc/35/67/73/1030356773.db2.gz JCSVHEBTFJEMMI-DOTOQJQBSA-N 1 1 328.456 4.063 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC3(C2)CCCCC3)c2ccccc21 ZINC000303900021 1030390068 /nfs/dbraw/zinc/39/00/68/1030390068.db2.gz LGZVVHDQEUYSON-UHFFFAOYSA-N 1 1 349.478 4.394 20 30 EIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCSCC3)c2)c1 ZINC000508642737 1030423663 /nfs/dbraw/zinc/42/36/63/1030423663.db2.gz YCISCPTXNFCREO-UHFFFAOYSA-N 1 1 338.476 4.076 20 30 EIEDMO CO[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000451563154 1030580420 /nfs/dbraw/zinc/58/04/20/1030580420.db2.gz JSPZVXHFBZLSGV-DENIHFKCSA-N 1 1 348.490 4.243 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000527481540 1030715945 /nfs/dbraw/zinc/71/59/45/1030715945.db2.gz YQTPEHHXKUPNGP-OAHLLOKOSA-N 1 1 348.475 4.051 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(CC#N)cc1 ZINC000399111369 1030746165 /nfs/dbraw/zinc/74/61/65/1030746165.db2.gz KNQDNNQMFYUWJU-UHFFFAOYSA-N 1 1 335.270 4.209 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452003792 1030819688 /nfs/dbraw/zinc/81/96/88/1030819688.db2.gz GNNRIYFCWREUJM-GJZGRUSLSA-N 1 1 345.512 4.140 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000612094061 1030852288 /nfs/dbraw/zinc/85/22/88/1030852288.db2.gz XLEGSTUXUGEZHZ-GOSISDBHSA-N 1 1 331.419 4.273 20 30 EIEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882648 1030894015 /nfs/dbraw/zinc/89/40/15/1030894015.db2.gz QEZLMMIITMIOIF-INIZCTEOSA-N 1 1 342.446 4.299 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000612162146 1031069112 /nfs/dbraw/zinc/06/91/12/1031069112.db2.gz HOEULJMVBHJOCM-JOCHJYFZSA-N 1 1 347.462 4.308 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000612162146 1031069130 /nfs/dbraw/zinc/06/91/30/1031069130.db2.gz HOEULJMVBHJOCM-JOCHJYFZSA-N 1 1 347.462 4.308 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174563 1031112412 /nfs/dbraw/zinc/11/24/12/1031112412.db2.gz HFOWOOQWWLLOAJ-IBGZPJMESA-N 1 1 338.426 4.280 20 30 EIEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cc(Br)ccc12 ZINC001142398450 1031186783 /nfs/dbraw/zinc/18/67/83/1031186783.db2.gz RTAQBWDXQULYSI-UHFFFAOYSA-N 1 1 334.261 4.446 20 30 EIEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cc(Br)ccc12 ZINC001142398450 1031186788 /nfs/dbraw/zinc/18/67/88/1031186788.db2.gz RTAQBWDXQULYSI-UHFFFAOYSA-N 1 1 334.261 4.446 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000531616052 1031431268 /nfs/dbraw/zinc/43/12/68/1031431268.db2.gz GJGKKEGCHNGLFF-KRWDZBQOSA-N 1 1 347.886 4.135 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000531616052 1031431283 /nfs/dbraw/zinc/43/12/83/1031431283.db2.gz GJGKKEGCHNGLFF-KRWDZBQOSA-N 1 1 347.886 4.135 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053331750 1031707214 /nfs/dbraw/zinc/70/72/14/1031707214.db2.gz FCNSQNKVVKFVMR-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C=C(Br)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000127403831 1031820264 /nfs/dbraw/zinc/82/02/64/1031820264.db2.gz PJIJJIQYLCGIGQ-UHFFFAOYSA-N 1 1 339.458 4.101 20 30 EIEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528774040 1031845747 /nfs/dbraw/zinc/84/57/47/1031845747.db2.gz KPECHGHEFOTQIR-IBGZPJMESA-N 1 1 344.474 4.494 20 30 EIEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000528774049 1031846296 /nfs/dbraw/zinc/84/62/96/1031846296.db2.gz PGKBYWRIQNLMHK-HNNXBMFYSA-N 1 1 338.455 4.256 20 30 EIEDMO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000459363288 1031942736 /nfs/dbraw/zinc/94/27/36/1031942736.db2.gz URFJRRQQGLOEJM-RBUKOAKNSA-N 1 1 336.435 4.063 20 30 EIEDMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000459363288 1031942750 /nfs/dbraw/zinc/94/27/50/1031942750.db2.gz URFJRRQQGLOEJM-RBUKOAKNSA-N 1 1 336.435 4.063 20 30 EIEDMO Cc1cc(Br)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000453570347 1032006891 /nfs/dbraw/zinc/00/68/91/1032006891.db2.gz KETGKIVIAKFNPO-UHFFFAOYSA-N 1 1 347.281 4.470 20 30 EIEDMO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCC1 ZINC000449808301 1032032256 /nfs/dbraw/zinc/03/22/56/1032032256.db2.gz ZHZVXVJRRNTECN-UHFFFAOYSA-N 1 1 341.430 4.073 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCc2ccccc2F)c1)C[C@@H](C)C#N ZINC000509763264 1033361268 /nfs/dbraw/zinc/36/12/68/1033361268.db2.gz AIROJNVFULOHNQ-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1cccc(OCc2ccccc2F)c1)C[C@@H](C)C#N ZINC000509763264 1033361281 /nfs/dbraw/zinc/36/12/81/1033361281.db2.gz AIROJNVFULOHNQ-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO C[C@]12CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C[C@H]1C2(F)F ZINC000428732433 1033362313 /nfs/dbraw/zinc/36/23/13/1033362313.db2.gz NCIJSLRTQFEOJU-OLZOCXBDSA-N 1 1 341.270 4.461 20 30 EIEDMO C[C@]12CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C[C@H]1C2(F)F ZINC000428732433 1033362327 /nfs/dbraw/zinc/36/23/27/1033362327.db2.gz NCIJSLRTQFEOJU-OLZOCXBDSA-N 1 1 341.270 4.461 20 30 EIEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000663875693 1033471148 /nfs/dbraw/zinc/47/11/48/1033471148.db2.gz YIWFBRRKXMESSH-INIZCTEOSA-N 1 1 349.544 4.004 20 30 EIEDMO CC(C)(C#N)c1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000614160243 1033537168 /nfs/dbraw/zinc/53/71/68/1033537168.db2.gz QRATXKNFRVRAIX-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000614160243 1033537188 /nfs/dbraw/zinc/53/71/88/1033537188.db2.gz QRATXKNFRVRAIX-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000614160243 1033537207 /nfs/dbraw/zinc/53/72/07/1033537207.db2.gz QRATXKNFRVRAIX-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000614166081 1033539838 /nfs/dbraw/zinc/53/98/38/1033539838.db2.gz WAAOJTANUGBTNC-OAQYLSRUSA-N 1 1 334.463 4.451 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1F ZINC000512662717 1033636894 /nfs/dbraw/zinc/63/68/94/1033636894.db2.gz ZUHJUADGOAGEAF-LLVKDONJSA-N 1 1 338.304 4.447 20 30 EIEDMO CCc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000512666929 1033666345 /nfs/dbraw/zinc/66/63/45/1033666345.db2.gz MUJYWIZUCHQZIL-BTYIYWSLSA-N 1 1 339.458 4.213 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000433031551 1033698873 /nfs/dbraw/zinc/69/88/73/1033698873.db2.gz OFRHTLFZUFJALY-GOSISDBHSA-N 1 1 332.407 4.261 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433291817 1034185220 /nfs/dbraw/zinc/18/52/20/1034185220.db2.gz XIRXORPUWMQKDY-HNNXBMFYSA-N 1 1 335.289 4.253 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1OC(F)F ZINC000614352604 1034408546 /nfs/dbraw/zinc/40/85/46/1034408546.db2.gz AVIIPASHKJHRKL-UHFFFAOYSA-N 1 1 333.378 4.485 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1OC(F)F ZINC000614352604 1034408554 /nfs/dbraw/zinc/40/85/54/1034408554.db2.gz AVIIPASHKJHRKL-UHFFFAOYSA-N 1 1 333.378 4.485 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000614396133 1034533182 /nfs/dbraw/zinc/53/31/82/1034533182.db2.gz YCPAQJFOLUFYOV-FQEVSTJZSA-N 1 1 336.435 4.221 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(OC)c(C)c2)cc(OC)c1O ZINC000513106046 1034572183 /nfs/dbraw/zinc/57/21/83/1034572183.db2.gz GIDVNHUORGDLNC-UHFFFAOYSA-N 1 1 341.451 4.078 20 30 EIEDMO COc1ccccc1C[C@H](C)[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000501539732 1035461861 /nfs/dbraw/zinc/46/18/61/1035461861.db2.gz OAZBZJCIMXHOOD-SFHVURJKSA-N 1 1 334.463 4.432 20 30 EIEDMO CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001582 1035526407 /nfs/dbraw/zinc/52/64/07/1035526407.db2.gz XHYXCHADZALLDE-HXUWFJFHSA-N 1 1 339.527 4.208 20 30 EIEDMO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000595072677 1035555038 /nfs/dbraw/zinc/55/50/38/1035555038.db2.gz JYXFGHAMKZWDDK-BDJLRTHQSA-N 1 1 344.352 4.238 20 30 EIEDMO CCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](CC)c1ccccc1 ZINC000574917353 1035580971 /nfs/dbraw/zinc/58/09/71/1035580971.db2.gz QOKJLTAGXLQVOH-FQEVSTJZSA-N 1 1 347.466 4.354 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595348759 1035637188 /nfs/dbraw/zinc/63/71/88/1035637188.db2.gz UZDZRLWKRCZWOJ-SFHVURJKSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000485076407 1035661122 /nfs/dbraw/zinc/66/11/22/1035661122.db2.gz UTBOLCOFNFQHHQ-HNNXBMFYSA-N 1 1 348.537 4.235 20 30 EIEDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000595426608 1035677151 /nfs/dbraw/zinc/67/71/51/1035677151.db2.gz QGKZBUGMDMJJLT-CABCVRRESA-N 1 1 345.450 4.318 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595657943 1035760837 /nfs/dbraw/zinc/76/08/37/1035760837.db2.gz CVLUDXDSJPYVRB-AWEZNQCLSA-N 1 1 327.384 4.038 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000595765613 1035779828 /nfs/dbraw/zinc/77/98/28/1035779828.db2.gz MGULVKVGFMYOQE-HNNXBMFYSA-N 1 1 345.512 4.163 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(F)c1 ZINC000593122493 1035794328 /nfs/dbraw/zinc/79/43/28/1035794328.db2.gz IDKMUTYBDOJCDV-ACRUOGEOSA-N 1 1 336.410 4.192 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(F)c1 ZINC000593122493 1035794351 /nfs/dbraw/zinc/79/43/51/1035794351.db2.gz IDKMUTYBDOJCDV-ACRUOGEOSA-N 1 1 336.410 4.192 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842151 1035796209 /nfs/dbraw/zinc/79/62/09/1035796209.db2.gz XZLOSHPRXUFVHI-IIBYNOLFSA-N 1 1 333.435 4.235 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842151 1035796221 /nfs/dbraw/zinc/79/62/21/1035796221.db2.gz XZLOSHPRXUFVHI-IIBYNOLFSA-N 1 1 333.435 4.235 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773089 1035841019 /nfs/dbraw/zinc/84/10/19/1035841019.db2.gz WSJSUAVZKUICAR-UHFFFAOYSA-N 1 1 348.368 4.440 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C ZINC000060168364 1035897481 /nfs/dbraw/zinc/89/74/81/1035897481.db2.gz RAYIYUCQTBKXAD-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C ZINC000060168364 1035897482 /nfs/dbraw/zinc/89/74/82/1035897482.db2.gz RAYIYUCQTBKXAD-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000571074112 1035933069 /nfs/dbraw/zinc/93/30/69/1035933069.db2.gz HJPWNUVVLHRVKY-FPOVZHCZSA-N 1 1 347.462 4.457 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C(C)C)[C@@H](C)c2ccsc2)c(C#N)c1C ZINC000421000998 1035939070 /nfs/dbraw/zinc/93/90/70/1035939070.db2.gz FBRGDLVSCKMGDE-ZDUSSCGKSA-N 1 1 345.468 4.240 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)[C@@H](C)c2ccsc2)c(C#N)c1C ZINC000421000998 1035939099 /nfs/dbraw/zinc/93/90/99/1035939099.db2.gz FBRGDLVSCKMGDE-ZDUSSCGKSA-N 1 1 345.468 4.240 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000596983167 1036065873 /nfs/dbraw/zinc/06/58/73/1036065873.db2.gz PEYHNJCVPCUXQR-UHFFFAOYSA-N 1 1 327.431 4.281 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000596983167 1036065891 /nfs/dbraw/zinc/06/58/91/1036065891.db2.gz PEYHNJCVPCUXQR-UHFFFAOYSA-N 1 1 327.431 4.281 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1 ZINC000055449099 1036070297 /nfs/dbraw/zinc/07/02/97/1036070297.db2.gz ICPNTCLUNCXXNV-INIZCTEOSA-N 1 1 325.456 4.083 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597176525 1036142265 /nfs/dbraw/zinc/14/22/65/1036142265.db2.gz IINLIBHIHTYEIA-AWEZNQCLSA-N 1 1 348.372 4.017 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174314 1036142455 /nfs/dbraw/zinc/14/24/55/1036142455.db2.gz OVHNPQZHAOHMLK-AWEZNQCLSA-N 1 1 341.436 4.449 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000597177623 1036143443 /nfs/dbraw/zinc/14/34/43/1036143443.db2.gz QOFVAKIVQKIMFV-LBPRGKRZSA-N 1 1 333.407 4.214 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000597177623 1036143462 /nfs/dbraw/zinc/14/34/62/1036143462.db2.gz QOFVAKIVQKIMFV-LBPRGKRZSA-N 1 1 333.407 4.214 20 30 EIEDMO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(C)c1OCc1ccccn1 ZINC000597228865 1036161749 /nfs/dbraw/zinc/16/17/49/1036161749.db2.gz HOFIHIGDGBSJCK-OAQYLSRUSA-N 1 1 335.451 4.013 20 30 EIEDMO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(C)c1OCc1ccccn1 ZINC000597228865 1036161775 /nfs/dbraw/zinc/16/17/75/1036161775.db2.gz HOFIHIGDGBSJCK-OAQYLSRUSA-N 1 1 335.451 4.013 20 30 EIEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(C)c1OCc1ccccn1 ZINC000597228863 1036162909 /nfs/dbraw/zinc/16/29/09/1036162909.db2.gz HOFIHIGDGBSJCK-NRFANRHFSA-N 1 1 335.451 4.013 20 30 EIEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(C)c1OCc1ccccn1 ZINC000597228863 1036162913 /nfs/dbraw/zinc/16/29/13/1036162913.db2.gz HOFIHIGDGBSJCK-NRFANRHFSA-N 1 1 335.451 4.013 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597231520 1036166168 /nfs/dbraw/zinc/16/61/68/1036166168.db2.gz ZGQUCRALJZKZIL-KRWDZBQOSA-N 1 1 327.409 4.059 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597231520 1036166180 /nfs/dbraw/zinc/16/61/80/1036166180.db2.gz ZGQUCRALJZKZIL-KRWDZBQOSA-N 1 1 327.409 4.059 20 30 EIEDMO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000906294878 1036202877 /nfs/dbraw/zinc/20/28/77/1036202877.db2.gz XMQVLABWXXTNPC-HNNXBMFYSA-N 1 1 343.434 4.002 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCCC#N)cc2)C1 ZINC000588150366 1036246502 /nfs/dbraw/zinc/24/65/02/1036246502.db2.gz KTIPHYGGBVJTMC-GOSISDBHSA-N 1 1 341.499 4.009 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCCCC#N)C1 ZINC000588151762 1036248189 /nfs/dbraw/zinc/24/81/89/1036248189.db2.gz UCPVHQAUOGKLNG-SFHVURJKSA-N 1 1 341.499 4.009 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000502467574 1036248230 /nfs/dbraw/zinc/24/82/30/1036248230.db2.gz LDCOJWRENSBTIW-IBGZPJMESA-N 1 1 336.479 4.030 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000502467574 1036248250 /nfs/dbraw/zinc/24/82/50/1036248250.db2.gz LDCOJWRENSBTIW-IBGZPJMESA-N 1 1 336.479 4.030 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCCC#N ZINC000588151766 1036248328 /nfs/dbraw/zinc/24/83/28/1036248328.db2.gz UFLLNTMEQUJZSL-SFHVURJKSA-N 1 1 341.499 4.151 20 30 EIEDMO CC(C)(C)OCc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602004687 1036309328 /nfs/dbraw/zinc/30/93/28/1036309328.db2.gz XAVHRPRHGACDFH-UHFFFAOYSA-N 1 1 326.415 4.302 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480757 1036462298 /nfs/dbraw/zinc/46/22/98/1036462298.db2.gz XWNUIVBWYRVUFO-VXGBXAGGSA-N 1 1 331.407 4.281 20 30 EIEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602550615 1036499504 /nfs/dbraw/zinc/49/95/04/1036499504.db2.gz KUCURERLZUQOSR-UHFFFAOYSA-N 1 1 337.467 4.084 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600577 1036505791 /nfs/dbraw/zinc/50/57/91/1036505791.db2.gz OSSBYZZSRRGUNC-CZUORRHYSA-N 1 1 326.362 4.019 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681834 1036573360 /nfs/dbraw/zinc/57/33/60/1036573360.db2.gz NBXGILSVCAEQDS-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681834 1036573384 /nfs/dbraw/zinc/57/33/84/1036573384.db2.gz NBXGILSVCAEQDS-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC1(CC#N)CC1 ZINC000602771133 1036615906 /nfs/dbraw/zinc/61/59/06/1036615906.db2.gz DLGXHHHDUOUQMJ-UHFFFAOYSA-N 1 1 327.403 4.039 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000602781083 1036622142 /nfs/dbraw/zinc/62/21/42/1036622142.db2.gz GZGQICQEAYDLPB-YADHBBJMSA-N 1 1 332.447 4.031 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892306 1036661910 /nfs/dbraw/zinc/66/19/10/1036661910.db2.gz KGANIKVJNFUPJR-UHFFFAOYSA-N 1 1 338.377 4.343 20 30 EIEDMO C[N@H+](CCCC(C)(C)C#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602892306 1036661922 /nfs/dbraw/zinc/66/19/22/1036661922.db2.gz KGANIKVJNFUPJR-UHFFFAOYSA-N 1 1 338.377 4.343 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602892306 1036661924 /nfs/dbraw/zinc/66/19/24/1036661924.db2.gz KGANIKVJNFUPJR-UHFFFAOYSA-N 1 1 338.377 4.343 20 30 EIEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586056 1036706164 /nfs/dbraw/zinc/70/61/64/1036706164.db2.gz CTMMPPUDLYWDME-XJKSGUPXSA-N 1 1 342.405 4.389 20 30 EIEDMO C[C@@H](NC(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341701 1036739274 /nfs/dbraw/zinc/73/92/74/1036739274.db2.gz HMPWBZGYAJCWGA-IERDGZPVSA-N 1 1 333.479 4.265 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000668627917 1036749225 /nfs/dbraw/zinc/74/92/25/1036749225.db2.gz NRUOAKVVJJZHML-MOPGFXCFSA-N 1 1 345.483 4.041 20 30 EIEDMO CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cc1F ZINC000061001279 1036757745 /nfs/dbraw/zinc/75/77/45/1036757745.db2.gz SISGUHAKUMKWJN-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cc1F ZINC000061001279 1036757764 /nfs/dbraw/zinc/75/77/64/1036757764.db2.gz SISGUHAKUMKWJN-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccsc1Br ZINC000598973880 1036837474 /nfs/dbraw/zinc/83/74/74/1036837474.db2.gz FNEAHGWMEFKEBJ-CQSZACIVSA-N 1 1 333.254 4.159 20 30 EIEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)n1 ZINC000599008785 1036845014 /nfs/dbraw/zinc/84/50/14/1036845014.db2.gz HZXJPEBKXFYANH-HNNXBMFYSA-N 1 1 342.855 4.317 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)n(C)n1 ZINC000599042784 1036854387 /nfs/dbraw/zinc/85/43/87/1036854387.db2.gz FRALGKHYEFKNAN-YWZLYKJASA-N 1 1 342.446 4.297 20 30 EIEDMO CCC[N@@H+](CC(C)(C)CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503098012 1036914993 /nfs/dbraw/zinc/91/49/93/1036914993.db2.gz KPDVZGZOYJUHFO-QGZVFWFLSA-N 1 1 329.488 4.446 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1OC(F)F ZINC000599264287 1036930152 /nfs/dbraw/zinc/93/01/52/1036930152.db2.gz ACAQRSZJUJECTL-UHFFFAOYSA-N 1 1 346.377 4.109 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371190 1036972234 /nfs/dbraw/zinc/97/22/34/1036972234.db2.gz NESUJCYXJNVACO-NHCUHLMSSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cc1C#N ZINC000599378198 1036973251 /nfs/dbraw/zinc/97/32/51/1036973251.db2.gz HHFAOHIZEHBOCA-ZDUSSCGKSA-N 1 1 340.377 4.462 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590178721 1037012796 /nfs/dbraw/zinc/01/27/96/1037012796.db2.gz FWFFGVDSYGOTAW-LJQANCHMSA-N 1 1 336.483 4.431 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590178721 1037012816 /nfs/dbraw/zinc/01/28/16/1037012816.db2.gz FWFFGVDSYGOTAW-LJQANCHMSA-N 1 1 336.483 4.431 20 30 EIEDMO N#CCC[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000603839885 1037023572 /nfs/dbraw/zinc/02/35/72/1037023572.db2.gz BHJVEIKTHCYGBX-KRWDZBQOSA-N 1 1 345.899 4.004 20 30 EIEDMO Cc1cc(C)c(C#N)c(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000603856173 1037050598 /nfs/dbraw/zinc/05/05/98/1037050598.db2.gz WLQMYZJZUBCWPA-MRXNPFEDSA-N 1 1 348.494 4.414 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138917 1037373958 /nfs/dbraw/zinc/37/39/58/1037373958.db2.gz YAHFBXRBKPRNQF-KRWDZBQOSA-N 1 1 325.481 4.395 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000604493451 1037407945 /nfs/dbraw/zinc/40/79/45/1037407945.db2.gz ZFWZDMZNNNXRSU-QGZVFWFLSA-N 1 1 341.480 4.422 20 30 EIEDMO Cc1cc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488293722 1037490246 /nfs/dbraw/zinc/49/02/46/1037490246.db2.gz YQFZEXUKQVOMOZ-RTBURBONSA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488293722 1037490255 /nfs/dbraw/zinc/49/02/55/1037490255.db2.gz YQFZEXUKQVOMOZ-RTBURBONSA-N 1 1 347.506 4.113 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000573618785 1037602305 /nfs/dbraw/zinc/60/23/05/1037602305.db2.gz XZVNDAWDBRLTRM-QGZVFWFLSA-N 1 1 338.426 4.161 20 30 EIEDMO N#Cc1cnccc1C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000592121371 1037736241 /nfs/dbraw/zinc/73/62/41/1037736241.db2.gz GRUMMEJWCXEAFC-UHFFFAOYSA-N 1 1 345.368 4.384 20 30 EIEDMO N#Cc1cnccc1C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000592121371 1037736249 /nfs/dbraw/zinc/73/62/49/1037736249.db2.gz GRUMMEJWCXEAFC-UHFFFAOYSA-N 1 1 345.368 4.384 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC000488792111 1037762052 /nfs/dbraw/zinc/76/20/52/1037762052.db2.gz NFWPGFMEOYBOSI-UHFFFAOYSA-N 1 1 326.827 4.385 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085934 1037863028 /nfs/dbraw/zinc/86/30/28/1037863028.db2.gz ANZHPVOAYAWWOX-OAHLLOKOSA-N 1 1 328.419 4.285 20 30 EIEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1 ZINC000592984977 1037896290 /nfs/dbraw/zinc/89/62/90/1037896290.db2.gz DFQNAXWKHLCIRZ-YLJYHZDGSA-N 1 1 334.463 4.012 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)cn1 ZINC000593947870 1037924259 /nfs/dbraw/zinc/92/42/59/1037924259.db2.gz BHKNFTGZRBHCFE-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593649356 1038117227 /nfs/dbraw/zinc/11/72/27/1038117227.db2.gz AYRLOSIFZUAJRA-UHFFFAOYSA-N 1 1 336.483 4.030 20 30 EIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000593942999 1038203118 /nfs/dbraw/zinc/20/31/18/1038203118.db2.gz JJCYNTVEDBKGNT-INIZCTEOSA-N 1 1 349.394 4.008 20 30 EIEDMO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000574370141 1038213913 /nfs/dbraw/zinc/21/39/13/1038213913.db2.gz WMBLDPNHNHDOEL-UHFFFAOYSA-N 1 1 329.469 4.074 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CCC2)cc1 ZINC000594032825 1038241707 /nfs/dbraw/zinc/24/17/07/1038241707.db2.gz QVLNRYCQDBRNQZ-UHFFFAOYSA-N 1 1 346.459 4.246 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CC3CCCC3)o2)cc1 ZINC000594054650 1038294518 /nfs/dbraw/zinc/29/45/18/1038294518.db2.gz UYRUWXKLAZIVGF-GOSISDBHSA-N 1 1 336.439 4.153 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000490064677 1038329075 /nfs/dbraw/zinc/32/90/75/1038329075.db2.gz QJKAWICVIXNMNL-GOSISDBHSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000490071049 1038330755 /nfs/dbraw/zinc/33/07/55/1038330755.db2.gz HQTBYLHIUVISQM-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000490071049 1038330772 /nfs/dbraw/zinc/33/07/72/1038330772.db2.gz HQTBYLHIUVISQM-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000490097649 1038334410 /nfs/dbraw/zinc/33/44/10/1038334410.db2.gz WSZUKUFSSWCGMK-GOSISDBHSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000490097649 1038334431 /nfs/dbraw/zinc/33/44/31/1038334431.db2.gz WSZUKUFSSWCGMK-GOSISDBHSA-N 1 1 332.806 4.170 20 30 EIEDMO CCCCC(N)=[NH+]OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000063460165 1038365583 /nfs/dbraw/zinc/36/55/83/1038365583.db2.gz SMKOZBLXTXEWBU-UHFFFAOYSA-N 1 1 333.476 4.351 20 30 EIEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001168423601 1038394668 /nfs/dbraw/zinc/39/46/68/1038394668.db2.gz NEDANHPOEPYOKN-HNNXBMFYSA-N 1 1 337.250 4.319 20 30 EIEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001168423601 1038394681 /nfs/dbraw/zinc/39/46/81/1038394681.db2.gz NEDANHPOEPYOKN-HNNXBMFYSA-N 1 1 337.250 4.319 20 30 EIEDMO CCC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000063504274 1038395185 /nfs/dbraw/zinc/39/51/85/1038395185.db2.gz LULBMMJSANZDNW-UHFFFAOYSA-N 1 1 345.446 4.443 20 30 EIEDMO COc1ccc(C[N@H+](Cc2cc(C#N)cs2)CC2CC2)c(OC)c1 ZINC000504590782 1038447895 /nfs/dbraw/zinc/44/78/95/1038447895.db2.gz SIGYJXPQEDFIAC-UHFFFAOYSA-N 1 1 342.464 4.049 20 30 EIEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000063614898 1038611436 /nfs/dbraw/zinc/61/14/36/1038611436.db2.gz OELXQPHYNAOPFD-UHFFFAOYSA-N 1 1 346.471 4.067 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)nn1 ZINC000424292001 1038769700 /nfs/dbraw/zinc/76/97/00/1038769700.db2.gz FUJZNEJPTCUIOD-INIZCTEOSA-N 1 1 339.270 4.258 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104929 1038871088 /nfs/dbraw/zinc/87/10/88/1038871088.db2.gz WGNVQBAEMDNGCO-UHFFFAOYSA-N 1 1 334.341 4.401 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000505030059 1038901193 /nfs/dbraw/zinc/90/11/93/1038901193.db2.gz RZMKFCZKJGHGDT-IBGZPJMESA-N 1 1 341.499 4.191 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000505057867 1038926966 /nfs/dbraw/zinc/92/69/66/1038926966.db2.gz MPULREKFDBEQKH-IAGOWNOFSA-N 1 1 329.488 4.190 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000608977663 1038987486 /nfs/dbraw/zinc/98/74/86/1038987486.db2.gz XFFOZBDVOBWHAJ-PKOBYXMFSA-N 1 1 347.462 4.155 20 30 EIEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)c(C#N)c1 ZINC001232892305 1039035839 /nfs/dbraw/zinc/03/58/39/1039035839.db2.gz HJUXJGAVFLEULS-UHFFFAOYSA-N 1 1 329.241 4.343 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424740410 1039049111 /nfs/dbraw/zinc/04/91/11/1039049111.db2.gz RFWULDNYJDVPRC-WOJBJXKFSA-N 1 1 340.511 4.102 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1 ZINC000481272379 1039209997 /nfs/dbraw/zinc/20/99/97/1039209997.db2.gz VJTNYDHCFSBYJN-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000552218958 1039264890 /nfs/dbraw/zinc/26/48/90/1039264890.db2.gz BUHHYTYRROPHRX-OLZOCXBDSA-N 1 1 341.282 4.233 20 30 EIEDMO C=CCCC[N@@H+](C)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000121035283 1039284572 /nfs/dbraw/zinc/28/45/72/1039284572.db2.gz UPJAVDIWYWZEKG-UHFFFAOYSA-N 1 1 332.469 4.129 20 30 EIEDMO C=CCCC[N@H+](C)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000121035283 1039284615 /nfs/dbraw/zinc/28/46/15/1039284615.db2.gz UPJAVDIWYWZEKG-UHFFFAOYSA-N 1 1 332.469 4.129 20 30 EIEDMO Cc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F ZINC000537635557 1039334037 /nfs/dbraw/zinc/33/40/37/1039334037.db2.gz BNDJTKFRBUQENF-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F ZINC000537635557 1039334058 /nfs/dbraw/zinc/33/40/58/1039334058.db2.gz BNDJTKFRBUQENF-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000552279609 1039357144 /nfs/dbraw/zinc/35/71/44/1039357144.db2.gz XMRXNOUQJCEROQ-UHFFFAOYSA-N 1 1 335.875 4.297 20 30 EIEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000600212527 1039374681 /nfs/dbraw/zinc/37/46/81/1039374681.db2.gz GBRGXMSWSPPOSY-UHFFFAOYSA-N 1 1 342.446 4.010 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000600212770 1039375322 /nfs/dbraw/zinc/37/53/22/1039375322.db2.gz JDELWBLTXZBELI-UHFFFAOYSA-N 1 1 337.492 4.425 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000600212770 1039375337 /nfs/dbraw/zinc/37/53/37/1039375337.db2.gz JDELWBLTXZBELI-UHFFFAOYSA-N 1 1 337.492 4.425 20 30 EIEDMO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000534487224 1039492987 /nfs/dbraw/zinc/49/29/87/1039492987.db2.gz PQEHEZLLLOBHEY-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000534487224 1039493033 /nfs/dbraw/zinc/49/30/33/1039493033.db2.gz PQEHEZLLLOBHEY-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000534487228 1039495315 /nfs/dbraw/zinc/49/53/15/1039495315.db2.gz PQEHEZLLLOBHEY-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000534487228 1039495340 /nfs/dbraw/zinc/49/53/40/1039495340.db2.gz PQEHEZLLLOBHEY-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO C=CC[N@H+](CCc1cccnc1)Cc1cc(Br)ccc1F ZINC000514106077 1039611231 /nfs/dbraw/zinc/61/12/31/1039611231.db2.gz VUAHCDMXVAXSQH-UHFFFAOYSA-N 1 1 349.247 4.214 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000481665875 1039715418 /nfs/dbraw/zinc/71/54/18/1039715418.db2.gz DRTGNZKONJOYTR-JOCHJYFZSA-N 1 1 337.511 4.322 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000093704320 1039742365 /nfs/dbraw/zinc/74/23/65/1039742365.db2.gz KRETZAMPCHUWJQ-XLIONFOSSA-N 1 1 335.451 4.054 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc(OC)c1O ZINC000537659892 1039872913 /nfs/dbraw/zinc/87/29/13/1039872913.db2.gz QBLVQIKCNFUHPV-LJQANCHMSA-N 1 1 340.467 4.195 20 30 EIEDMO CCCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434980356 1039974200 /nfs/dbraw/zinc/97/42/00/1039974200.db2.gz DCKOMIDOUPFKDZ-UHFFFAOYSA-N 1 1 342.414 4.127 20 30 EIEDMO CCCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434980356 1039974223 /nfs/dbraw/zinc/97/42/23/1039974223.db2.gz DCKOMIDOUPFKDZ-UHFFFAOYSA-N 1 1 342.414 4.127 20 30 EIEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000535266463 1040111067 /nfs/dbraw/zinc/11/10/67/1040111067.db2.gz VRMZFZHYERLUJH-KRWDZBQOSA-N 1 1 331.341 4.176 20 30 EIEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780818 1040197395 /nfs/dbraw/zinc/19/73/95/1040197395.db2.gz CZSUWDXXQTWVCX-QZTJIDSGSA-N 1 1 341.842 4.211 20 30 EIEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000160009084 1040302285 /nfs/dbraw/zinc/30/22/85/1040302285.db2.gz PFUCZADYSJWTGY-GOSISDBHSA-N 1 1 348.494 4.253 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C#N)cs1 ZINC000482515865 1040311117 /nfs/dbraw/zinc/31/11/17/1040311117.db2.gz ZBCSRYZMDFGGOD-PVAVHDDUSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000482515865 1040311133 /nfs/dbraw/zinc/31/11/33/1040311133.db2.gz ZBCSRYZMDFGGOD-PVAVHDDUSA-N 1 1 346.496 4.095 20 30 EIEDMO CCN(CC)c1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425364102 1040334162 /nfs/dbraw/zinc/33/41/62/1040334162.db2.gz FCSZQQPYYGJTHL-CQSZACIVSA-N 1 1 328.485 4.054 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000425365271 1040339444 /nfs/dbraw/zinc/33/94/44/1040339444.db2.gz JSGQDYQPCUEDCT-KRWDZBQOSA-N 1 1 333.435 4.434 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000425366168 1040340969 /nfs/dbraw/zinc/34/09/69/1040340969.db2.gz OMCGKSATOHOHDC-KBPBESRZSA-N 1 1 325.481 4.333 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000425366168 1040340989 /nfs/dbraw/zinc/34/09/89/1040340989.db2.gz OMCGKSATOHOHDC-KBPBESRZSA-N 1 1 325.481 4.333 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c1=S ZINC000151520471 1040383968 /nfs/dbraw/zinc/38/39/68/1040383968.db2.gz ZMSJMUJVPFSCOR-RDJZCZTQSA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c1=S ZINC000151520471 1040383978 /nfs/dbraw/zinc/38/39/78/1040383978.db2.gz ZMSJMUJVPFSCOR-RDJZCZTQSA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c1=S ZINC000151520404 1040385172 /nfs/dbraw/zinc/38/51/72/1040385172.db2.gz ZMSJMUJVPFSCOR-DOTOQJQBSA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c1=S ZINC000151520404 1040385192 /nfs/dbraw/zinc/38/51/92/1040385192.db2.gz ZMSJMUJVPFSCOR-DOTOQJQBSA-N 1 1 342.512 4.052 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000154447169 1040421912 /nfs/dbraw/zinc/42/19/12/1040421912.db2.gz NBGJOPDSDLDWGJ-UHFFFAOYSA-N 1 1 342.446 4.022 20 30 EIEDMO CC#CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000462315753 1040474514 /nfs/dbraw/zinc/47/45/14/1040474514.db2.gz QUSJFZNCZPLTQW-FQEVSTJZSA-N 1 1 341.476 4.126 20 30 EIEDMO Cc1cccc(Oc2cc(C[NH2+]Cc3ccc(C#N)o3)ccn2)c1C ZINC000539511805 1040493436 /nfs/dbraw/zinc/49/34/36/1040493436.db2.gz SSZZFQTWHVDKBS-UHFFFAOYSA-N 1 1 333.391 4.245 20 30 EIEDMO C[C@H](NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000237527402 1040551580 /nfs/dbraw/zinc/55/15/80/1040551580.db2.gz RXKXHARPCNGXDA-SFHVURJKSA-N 1 1 333.479 4.311 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000462412540 1040578294 /nfs/dbraw/zinc/57/82/94/1040578294.db2.gz YIQXXKGQWSKEAN-CYBMUJFWSA-N 1 1 341.842 4.015 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(Br)cn1 ZINC000482957331 1040601619 /nfs/dbraw/zinc/60/16/19/1040601619.db2.gz IIZIORKEXBYPNC-GFCCVEGCSA-N 1 1 349.659 4.200 20 30 EIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000428791330 1040635740 /nfs/dbraw/zinc/63/57/40/1040635740.db2.gz ZORXFGNLACQJEI-CZUORRHYSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(C)(C)C#N ZINC000428791330 1040635748 /nfs/dbraw/zinc/63/57/48/1040635748.db2.gz ZORXFGNLACQJEI-CZUORRHYSA-N 1 1 340.389 4.407 20 30 EIEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000539737917 1040738714 /nfs/dbraw/zinc/73/87/14/1040738714.db2.gz WBQJXHHPSKMVEU-UHFFFAOYSA-N 1 1 338.426 4.194 20 30 EIEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000539737917 1040738728 /nfs/dbraw/zinc/73/87/28/1040738728.db2.gz WBQJXHHPSKMVEU-UHFFFAOYSA-N 1 1 338.426 4.194 20 30 EIEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483521888 1040885481 /nfs/dbraw/zinc/88/54/81/1040885481.db2.gz ZMIMBRDMCPIOIQ-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000161006303 1040903046 /nfs/dbraw/zinc/90/30/46/1040903046.db2.gz TUMXHTKOTASJAK-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898515838 1040970798 /nfs/dbraw/zinc/97/07/98/1040970798.db2.gz GLXMCQYUJIOWPC-WOJBJXKFSA-N 1 1 342.483 4.008 20 30 EIEDMO C[C@@H](C1CC1)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000505779159 1040995307 /nfs/dbraw/zinc/99/53/07/1040995307.db2.gz YNQGDITXYVLMQJ-INIZCTEOSA-N 1 1 330.435 4.007 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048351 1041053253 /nfs/dbraw/zinc/05/32/53/1041053253.db2.gz VZSOUOJKPOLLHZ-INIZCTEOSA-N 1 1 346.430 4.180 20 30 EIEDMO Cc1ccccc1[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000538159179 1041100968 /nfs/dbraw/zinc/10/09/68/1041100968.db2.gz RXKCYLBLSPIFAM-FQEVSTJZSA-N 1 1 346.434 4.404 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000425533444 1041179754 /nfs/dbraw/zinc/17/97/54/1041179754.db2.gz DREFMQAAFFCHKP-MRXNPFEDSA-N 1 1 349.478 4.487 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000425533444 1041179779 /nfs/dbraw/zinc/17/97/79/1041179779.db2.gz DREFMQAAFFCHKP-MRXNPFEDSA-N 1 1 349.478 4.487 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533752 1041181099 /nfs/dbraw/zinc/18/10/99/1041181099.db2.gz LBTMHDCTCDVVOW-MRXNPFEDSA-N 1 1 335.451 4.061 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533752 1041181116 /nfs/dbraw/zinc/18/11/16/1041181116.db2.gz LBTMHDCTCDVVOW-MRXNPFEDSA-N 1 1 335.451 4.061 20 30 EIEDMO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535262 1041208256 /nfs/dbraw/zinc/20/82/56/1041208256.db2.gz NDKHTOGUMQABBY-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535262 1041208274 /nfs/dbraw/zinc/20/82/74/1041208274.db2.gz NDKHTOGUMQABBY-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000425540489 1041228510 /nfs/dbraw/zinc/22/85/10/1041228510.db2.gz VLNWIXRJFCEKBS-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000425540489 1041228530 /nfs/dbraw/zinc/22/85/30/1041228530.db2.gz VLNWIXRJFCEKBS-CQSZACIVSA-N 1 1 341.842 4.152 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000540202815 1041261389 /nfs/dbraw/zinc/26/13/89/1041261389.db2.gz LVRUVSMSJIFITA-UHFFFAOYSA-N 1 1 338.414 4.391 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000463068760 1041312859 /nfs/dbraw/zinc/31/28/59/1041312859.db2.gz HERQNGBMPSTQDD-CQSZACIVSA-N 1 1 343.833 4.234 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000505841972 1041318538 /nfs/dbraw/zinc/31/85/38/1041318538.db2.gz AQMDIVKQVQCWBY-UHFFFAOYSA-N 1 1 334.261 4.237 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000505841972 1041318551 /nfs/dbraw/zinc/31/85/51/1041318551.db2.gz AQMDIVKQVQCWBY-UHFFFAOYSA-N 1 1 334.261 4.237 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768139 1041345387 /nfs/dbraw/zinc/34/53/87/1041345387.db2.gz ZCNNINGUWNYBOD-IBGZPJMESA-N 1 1 346.434 4.061 20 30 EIEDMO C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502518 1041381712 /nfs/dbraw/zinc/38/17/12/1041381712.db2.gz XSMYRLPFDQYTMW-HRAATJIYSA-N 1 1 337.442 4.185 20 30 EIEDMO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189531 1041406944 /nfs/dbraw/zinc/40/69/44/1041406944.db2.gz ARSPZKHXYWPKNM-VAMGGRTRSA-N 1 1 331.887 4.097 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845905 1041445495 /nfs/dbraw/zinc/44/54/95/1041445495.db2.gz HJKPPVWNMAPTOU-INIZCTEOSA-N 1 1 338.373 4.121 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000904513712 1041509572 /nfs/dbraw/zinc/50/95/72/1041509572.db2.gz IAXFBKPNKKBBJC-CYBMUJFWSA-N 1 1 325.334 4.035 20 30 EIEDMO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538761977 1041534418 /nfs/dbraw/zinc/53/44/18/1041534418.db2.gz PIUNLRIUCXWQSN-UHFFFAOYSA-N 1 1 331.419 4.097 20 30 EIEDMO C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593922 1041550671 /nfs/dbraw/zinc/55/06/71/1041550671.db2.gz WJYSGCPGBHGBNL-KCESLBEFSA-N 1 1 347.506 4.365 20 30 EIEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957152 1041590588 /nfs/dbraw/zinc/59/05/88/1041590588.db2.gz OXGMZCUZKRQOQO-UONOGXRCSA-N 1 1 345.512 4.090 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437149127 1041675958 /nfs/dbraw/zinc/67/59/58/1041675958.db2.gz GCDDYTQVYYFUTD-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000595500828 1041759455 /nfs/dbraw/zinc/75/94/55/1041759455.db2.gz MIAFDAAHVKVLSZ-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000595500828 1041759467 /nfs/dbraw/zinc/75/94/67/1041759467.db2.gz MIAFDAAHVKVLSZ-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000541024039 1041779214 /nfs/dbraw/zinc/77/92/14/1041779214.db2.gz HEWCGVAYXQGHFF-LBPRGKRZSA-N 1 1 330.819 4.077 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425389 1041798587 /nfs/dbraw/zinc/79/85/87/1041798587.db2.gz GRKBMZFRXNMDGJ-MRXNPFEDSA-N 1 1 328.362 4.149 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccccc2n1C(F)F ZINC000491308336 1041823296 /nfs/dbraw/zinc/82/32/96/1041823296.db2.gz SKHFMLLVWWAFJT-UHFFFAOYSA-N 1 1 331.366 4.255 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccccc2n1C(F)F ZINC000491308336 1041823298 /nfs/dbraw/zinc/82/32/98/1041823298.db2.gz SKHFMLLVWWAFJT-UHFFFAOYSA-N 1 1 331.366 4.255 20 30 EIEDMO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506137281 1041917445 /nfs/dbraw/zinc/91/74/45/1041917445.db2.gz WHWOQDVZZMYHRV-UHFFFAOYSA-N 1 1 348.402 4.113 20 30 EIEDMO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506137281 1041917451 /nfs/dbraw/zinc/91/74/51/1041917451.db2.gz WHWOQDVZZMYHRV-UHFFFAOYSA-N 1 1 348.402 4.113 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000464656884 1042109929 /nfs/dbraw/zinc/10/99/29/1042109929.db2.gz QGXLSBCSZHHZDI-MSOLQXFVSA-N 1 1 328.500 4.137 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464765367 1042154354 /nfs/dbraw/zinc/15/43/54/1042154354.db2.gz LKWDZLWADDBQFH-QGZVFWFLSA-N 1 1 338.476 4.051 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464764969 1042154507 /nfs/dbraw/zinc/15/45/07/1042154507.db2.gz JDABBUNVXZANTK-KRWDZBQOSA-N 1 1 339.483 4.322 20 30 EIEDMO C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000383070378 1042216206 /nfs/dbraw/zinc/21/62/06/1042216206.db2.gz LLEXZDVHJRBUEQ-INIZCTEOSA-N 1 1 339.870 4.312 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000438587468 1042259504 /nfs/dbraw/zinc/25/95/04/1042259504.db2.gz MFPNOHVWWAZKAH-UHFFFAOYSA-N 1 1 348.446 4.255 20 30 EIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247658 1042357761 /nfs/dbraw/zinc/35/77/61/1042357761.db2.gz FDOMYQLXFHOTMP-YWZLYKJASA-N 1 1 336.435 4.159 20 30 EIEDMO CC(C)(C)OC(=O)CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542268467 1042369571 /nfs/dbraw/zinc/36/95/71/1042369571.db2.gz QXTOMWVACPVWOA-UHFFFAOYSA-N 1 1 340.467 4.159 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000173280324 1042561863 /nfs/dbraw/zinc/56/18/63/1042561863.db2.gz UJVJPXCQBKOPJZ-UHFFFAOYSA-N 1 1 345.512 4.284 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000439440042 1042626739 /nfs/dbraw/zinc/62/67/39/1042626739.db2.gz PLESFXDGHRQTPE-LJQANCHMSA-N 1 1 340.854 4.045 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000439443349 1042629362 /nfs/dbraw/zinc/62/93/62/1042629362.db2.gz AIEDQIRVRNBITM-UHFFFAOYSA-N 1 1 349.261 4.250 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000439443349 1042629372 /nfs/dbraw/zinc/62/93/72/1042629372.db2.gz AIEDQIRVRNBITM-UHFFFAOYSA-N 1 1 349.261 4.250 20 30 EIEDMO CC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000439488329 1042651617 /nfs/dbraw/zinc/65/16/17/1042651617.db2.gz ZBPMHEFJKIPFAF-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000492651072 1042715118 /nfs/dbraw/zinc/71/51/18/1042715118.db2.gz JIZLYCIHCKMUPE-MRXNPFEDSA-N 1 1 341.252 4.310 20 30 EIEDMO Cc1cc(C[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)ccc1C#N ZINC000443980759 1042717127 /nfs/dbraw/zinc/71/71/27/1042717127.db2.gz NLUOGSSJUUGVKT-UHFFFAOYSA-N 1 1 347.393 4.483 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001141620915 1042877136 /nfs/dbraw/zinc/87/71/36/1042877136.db2.gz LPDSQLIVGIDKKL-QGZVFWFLSA-N 1 1 329.241 4.338 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001141620915 1042877138 /nfs/dbraw/zinc/87/71/38/1042877138.db2.gz LPDSQLIVGIDKKL-QGZVFWFLSA-N 1 1 329.241 4.338 20 30 EIEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)Cc1cnn(Cc2ccccc2)c1 ZINC001168458142 1042879755 /nfs/dbraw/zinc/87/97/55/1042879755.db2.gz IZAYLGSBLJEPFG-UHFFFAOYSA-N 1 1 338.499 4.472 20 30 EIEDMO CC[N@@H+](CCCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000053134828 1043036720 /nfs/dbraw/zinc/03/67/20/1043036720.db2.gz LLTVPILBCPTVQJ-UHFFFAOYSA-N 1 1 344.480 4.461 20 30 EIEDMO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000063751223 1043046888 /nfs/dbraw/zinc/04/68/88/1043046888.db2.gz HPGPBOUKPNBJNF-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000063751223 1043046899 /nfs/dbraw/zinc/04/68/99/1043046899.db2.gz HPGPBOUKPNBJNF-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO CC[NH+](CC)CCCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000542944978 1043047639 /nfs/dbraw/zinc/04/76/39/1043047639.db2.gz JJABNGXDRJSPMP-UHFFFAOYSA-N 1 1 331.479 4.031 20 30 EIEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009041 1043089897 /nfs/dbraw/zinc/08/98/97/1043089897.db2.gz YNIGHYUCOUJOEV-OPVJXMOQSA-N 1 1 325.500 4.102 20 30 EIEDMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507862475 1043161054 /nfs/dbraw/zinc/16/10/54/1043161054.db2.gz JXTXMYREMNTERK-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO Cc1[nH+]c(C=NNc2ccc(OCC(F)(F)F)cc2)c2ccccn12 ZINC000727261752 1043175502 /nfs/dbraw/zinc/17/55/02/1043175502.db2.gz GMMFLEWWWOHOHN-UHFFFAOYSA-N 1 1 348.328 4.030 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)cc1 ZINC000487406435 1043241485 /nfs/dbraw/zinc/24/14/85/1043241485.db2.gz KHVPAHMWSPLDHH-GOSISDBHSA-N 1 1 334.463 4.486 20 30 EIEDMO N#Cc1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cs1 ZINC000921983807 1043258979 /nfs/dbraw/zinc/25/89/79/1043258979.db2.gz ZQNQPSXZIPDQJZ-QGZVFWFLSA-N 1 1 326.469 4.099 20 30 EIEDMO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428034648 1043298797 /nfs/dbraw/zinc/29/87/97/1043298797.db2.gz OFOHEBHPSYWXJZ-MSOLQXFVSA-N 1 1 341.499 4.060 20 30 EIEDMO Cc1ccsc1C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000383596625 1043312540 /nfs/dbraw/zinc/31/25/40/1043312540.db2.gz XXKIBEHSIFTFSS-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1ccsc1C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000383596625 1043312545 /nfs/dbraw/zinc/31/25/45/1043312545.db2.gz XXKIBEHSIFTFSS-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1cc([C@H]([NH2+]Cc2cccc(C#N)c2)c2cccnc2)ccc1F ZINC000542481271 1043412019 /nfs/dbraw/zinc/41/20/19/1043412019.db2.gz RMEKRBRGJSGQAH-NRFANRHFSA-N 1 1 331.394 4.280 20 30 EIEDMO Clc1ccc(C#CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000674249760 1043511276 /nfs/dbraw/zinc/51/12/76/1043511276.db2.gz INGUIFHEXNJBSD-HXUWFJFHSA-N 1 1 325.839 4.155 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000674249760 1043511289 /nfs/dbraw/zinc/51/12/89/1043511289.db2.gz INGUIFHEXNJBSD-HXUWFJFHSA-N 1 1 325.839 4.155 20 30 EIEDMO CC(C)(O)[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191590475 1043829634 /nfs/dbraw/zinc/82/96/34/1043829634.db2.gz PHGRXGXNLRGFNN-OAQYLSRUSA-N 1 1 348.490 4.122 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000732180663 1043882437 /nfs/dbraw/zinc/88/24/37/1043882437.db2.gz CWQPTRBRDUYJJQ-INIZCTEOSA-N 1 1 327.424 4.102 20 30 EIEDMO C[N@@H+](CCOc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000195542647 1044097953 /nfs/dbraw/zinc/09/79/53/1044097953.db2.gz ZDMRQFYLTMMUDA-UHFFFAOYSA-N 1 1 335.234 4.376 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000733610163 1044269341 /nfs/dbraw/zinc/26/93/41/1044269341.db2.gz ONZURQZBQIDKQW-UHFFFAOYSA-N 1 1 337.467 4.066 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](COCC)C2)c1=S ZINC000733787138 1044311964 /nfs/dbraw/zinc/31/19/64/1044311964.db2.gz GWQAGLHFNFHIAQ-INIZCTEOSA-N 1 1 345.512 4.064 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](COCC)C2)c1=S ZINC000733787138 1044311973 /nfs/dbraw/zinc/31/19/73/1044311973.db2.gz GWQAGLHFNFHIAQ-INIZCTEOSA-N 1 1 345.512 4.064 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010435287 1044328081 /nfs/dbraw/zinc/32/80/81/1044328081.db2.gz JNVNQWSYHOCQFU-UHFFFAOYSA-N 1 1 336.479 4.006 20 30 EIEDMO C=CCOc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010435287 1044328093 /nfs/dbraw/zinc/32/80/93/1044328093.db2.gz JNVNQWSYHOCQFU-UHFFFAOYSA-N 1 1 336.479 4.006 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4cccnc43)CC2)cc1 ZINC000347941831 1044332332 /nfs/dbraw/zinc/33/23/32/1044332332.db2.gz CRXPFKFQGLSCTA-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742083 1044343808 /nfs/dbraw/zinc/34/38/08/1044343808.db2.gz OCPOCAHAEIBOBE-KRWDZBQOSA-N 1 1 349.478 4.451 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742083 1044343821 /nfs/dbraw/zinc/34/38/21/1044343821.db2.gz OCPOCAHAEIBOBE-KRWDZBQOSA-N 1 1 349.478 4.451 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741986 1044345220 /nfs/dbraw/zinc/34/52/20/1044345220.db2.gz DOWYBPNIQPYIMV-HNNXBMFYSA-N 1 1 332.407 4.191 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741986 1044345237 /nfs/dbraw/zinc/34/52/37/1044345237.db2.gz DOWYBPNIQPYIMV-HNNXBMFYSA-N 1 1 332.407 4.191 20 30 EIEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487432916 1044525847 /nfs/dbraw/zinc/52/58/47/1044525847.db2.gz TZHMJKGTYPRPJT-UHFFFAOYSA-N 1 1 326.415 4.138 20 30 EIEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000766209178 1044535140 /nfs/dbraw/zinc/53/51/40/1044535140.db2.gz HWYHLHGDGLWBJV-AWEZNQCLSA-N 1 1 344.842 4.011 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N\CCC[N@H+]1CCc2ccccc2C1 ZINC000914701695 1044680536 /nfs/dbraw/zinc/68/05/36/1044680536.db2.gz MTLPONLWOSTXTN-JLPGSUDCSA-N 1 1 344.458 4.413 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccc(Cl)cc2n1C ZINC000495125592 1044708250 /nfs/dbraw/zinc/70/82/50/1044708250.db2.gz AQEXFMQHFOLXGC-UHFFFAOYSA-N 1 1 329.831 4.050 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccc(Cl)cc2n1C ZINC000495125592 1044708260 /nfs/dbraw/zinc/70/82/60/1044708260.db2.gz AQEXFMQHFOLXGC-UHFFFAOYSA-N 1 1 329.831 4.050 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000914785265 1044777887 /nfs/dbraw/zinc/77/78/87/1044777887.db2.gz WOVATACTTRFDOG-CABCVRRESA-N 1 1 346.500 4.328 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000914785265 1044777913 /nfs/dbraw/zinc/77/79/13/1044777913.db2.gz WOVATACTTRFDOG-CABCVRRESA-N 1 1 346.500 4.328 20 30 EIEDMO Cc1ccc(OCC[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306274 1044791971 /nfs/dbraw/zinc/79/19/71/1044791971.db2.gz LKOTVZNATOBGOU-UHFFFAOYSA-N 1 1 344.842 4.062 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309804 1044796392 /nfs/dbraw/zinc/79/63/92/1044796392.db2.gz USCLBMGBKNMROM-CQSZACIVSA-N 1 1 326.827 4.362 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309804 1044796408 /nfs/dbraw/zinc/79/64/08/1044796408.db2.gz USCLBMGBKNMROM-CQSZACIVSA-N 1 1 326.827 4.362 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000735309743 1044796755 /nfs/dbraw/zinc/79/67/55/1044796755.db2.gz KZGRXCQIZVCQCB-UHFFFAOYSA-N 1 1 340.854 4.449 20 30 EIEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(Br)cc1C#N ZINC001141817135 1044801416 /nfs/dbraw/zinc/80/14/16/1044801416.db2.gz YIXFZRFPALBQAS-UHFFFAOYSA-N 1 1 345.240 4.048 20 30 EIEDMO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)C ZINC000474226347 1044802282 /nfs/dbraw/zinc/80/22/82/1044802282.db2.gz AEQQLDWLCOFJIX-UHFFFAOYSA-N 1 1 326.444 4.112 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428878026 1044810998 /nfs/dbraw/zinc/81/09/98/1044810998.db2.gz AYBINLCNVJBGFX-UHFFFAOYSA-N 1 1 328.412 4.290 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000474244370 1044820107 /nfs/dbraw/zinc/82/01/07/1044820107.db2.gz HQQOSFBSVDCBKL-KCZVDYSFSA-N 1 1 340.511 4.102 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000735672146 1044856048 /nfs/dbraw/zinc/85/60/48/1044856048.db2.gz HOTGZVLVMLCTJQ-CYBMUJFWSA-N 1 1 341.252 4.440 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2cccc(Br)c2C1 ZINC000735672146 1044856052 /nfs/dbraw/zinc/85/60/52/1044856052.db2.gz HOTGZVLVMLCTJQ-CYBMUJFWSA-N 1 1 341.252 4.440 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429259424 1044859186 /nfs/dbraw/zinc/85/91/86/1044859186.db2.gz YBXAJCALWZYECB-UHFFFAOYSA-N 1 1 329.787 4.145 20 30 EIEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000895711939 1044859736 /nfs/dbraw/zinc/85/97/36/1044859736.db2.gz ZWLVHEDVHNWESV-WOJBJXKFSA-N 1 1 347.462 4.153 20 30 EIEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000895711939 1044859742 /nfs/dbraw/zinc/85/97/42/1044859742.db2.gz ZWLVHEDVHNWESV-WOJBJXKFSA-N 1 1 347.462 4.153 20 30 EIEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000329531356 1044862729 /nfs/dbraw/zinc/86/27/29/1044862729.db2.gz WLGQXFLBLBTDKI-QGZVFWFLSA-N 1 1 326.469 4.099 20 30 EIEDMO CCC[N@@H+](CCC(=O)c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000509259961 1044865180 /nfs/dbraw/zinc/86/51/80/1044865180.db2.gz KEUSJFOLVZKQBP-UHFFFAOYSA-N 1 1 336.435 4.052 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000625770348 1044868364 /nfs/dbraw/zinc/86/83/64/1044868364.db2.gz VESRIRMZVGJCNJ-UHFFFAOYSA-N 1 1 333.300 4.058 20 30 EIEDMO COCC#CC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000680425618 1044914846 /nfs/dbraw/zinc/91/48/46/1044914846.db2.gz NHHHXAIGKFILQQ-LBPRGKRZSA-N 1 1 334.872 4.072 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccn(C)n1 ZINC000543635208 1045001371 /nfs/dbraw/zinc/00/13/71/1045001371.db2.gz JIIMMELBSRIBOQ-HXUWFJFHSA-N 1 1 330.435 4.200 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268132 1045015976 /nfs/dbraw/zinc/01/59/76/1045015976.db2.gz XXGGIPPHBXCPSE-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268132 1045015991 /nfs/dbraw/zinc/01/59/91/1045015991.db2.gz XXGGIPPHBXCPSE-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268132 1045016003 /nfs/dbraw/zinc/01/60/03/1045016003.db2.gz XXGGIPPHBXCPSE-SPEDKVCISA-N 1 1 333.479 4.119 20 30 EIEDMO CO[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000282539647 1045016873 /nfs/dbraw/zinc/01/68/73/1045016873.db2.gz ZPMVWHWXBOIBAX-SIKLNZKXSA-N 1 1 348.490 4.386 20 30 EIEDMO N#Cc1ccc(-c2cccc(CNc3[nH+]cnc4[nH]ccc43)c2)s1 ZINC000739890483 1045170884 /nfs/dbraw/zinc/17/08/84/1045170884.db2.gz OEMAYNGDZJVMOB-UHFFFAOYSA-N 1 1 331.404 4.170 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000161879223 1045175533 /nfs/dbraw/zinc/17/55/33/1045175533.db2.gz YFKVUVGPIWTJEX-PBHICJAKSA-N 1 1 349.400 4.030 20 30 EIEDMO C=CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018917 1045202112 /nfs/dbraw/zinc/20/21/12/1045202112.db2.gz JRFOMBQIYAUZKB-COPCDDAFSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018917 1045202118 /nfs/dbraw/zinc/20/21/18/1045202118.db2.gz JRFOMBQIYAUZKB-COPCDDAFSA-N 1 1 335.495 4.342 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCCC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001272610758 1045221557 /nfs/dbraw/zinc/22/15/57/1045221557.db2.gz LNOCILCJKLDPIN-OALUTQOASA-N 1 1 347.547 4.067 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000740888617 1045239228 /nfs/dbraw/zinc/23/92/28/1045239228.db2.gz RYVWGKCBTUSZKU-RTBURBONSA-N 1 1 330.472 4.005 20 30 EIEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)ccc1F ZINC000611089931 1045249876 /nfs/dbraw/zinc/24/98/76/1045249876.db2.gz AZJVASMJXSOLCW-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611252748 1045265450 /nfs/dbraw/zinc/26/54/50/1045265450.db2.gz ALZYVDKJDVOIJX-UHFFFAOYSA-N 1 1 328.456 4.490 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000611265347 1045268535 /nfs/dbraw/zinc/26/85/35/1045268535.db2.gz AEGTYDOGAZIQRY-NRFANRHFSA-N 1 1 336.435 4.412 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1F ZINC000611374504 1045291351 /nfs/dbraw/zinc/29/13/51/1045291351.db2.gz VNPDIFPHHAHCAP-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000611392308 1045296514 /nfs/dbraw/zinc/29/65/14/1045296514.db2.gz KWJDHISWZBRCBZ-HXUWFJFHSA-N 1 1 329.403 4.380 20 30 EIEDMO COc1cccc2c1C/C(=C/c1[nH+]c(C(C)C)n3ccccc13)C2=O ZINC000762600250 1045311728 /nfs/dbraw/zinc/31/17/28/1045311728.db2.gz LISCHWLUQNQJKN-OWBHPGMISA-N 1 1 332.403 4.289 20 30 EIEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000487966025 1045319430 /nfs/dbraw/zinc/31/94/30/1045319430.db2.gz VPTVFZOINJWPLZ-UHFFFAOYSA-N 1 1 334.341 4.239 20 30 EIEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000487966025 1045319450 /nfs/dbraw/zinc/31/94/50/1045319450.db2.gz VPTVFZOINJWPLZ-UHFFFAOYSA-N 1 1 334.341 4.239 20 30 EIEDMO C=CCC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000648835404 1045470171 /nfs/dbraw/zinc/47/01/71/1045470171.db2.gz QEHOCMJGRAYKHJ-FUHWJXTLSA-N 1 1 325.456 4.220 20 30 EIEDMO C=C(Br)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000790534489 1045525629 /nfs/dbraw/zinc/52/56/29/1045525629.db2.gz WPPPIQQADGKTAN-UHFFFAOYSA-N 1 1 343.677 4.462 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1F ZINC000767886766 1045661893 /nfs/dbraw/zinc/66/18/93/1045661893.db2.gz AKYLRNSOSGTVSA-UHFFFAOYSA-N 1 1 326.415 4.267 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000194276509 1045698746 /nfs/dbraw/zinc/69/87/46/1045698746.db2.gz QWBAPUJDYHDIOQ-UHFFFAOYSA-N 1 1 344.256 4.128 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccccc2Cl)cc1 ZINC000768212523 1045754530 /nfs/dbraw/zinc/75/45/30/1045754530.db2.gz KZASNRXJSMAOJN-OAHLLOKOSA-N 1 1 344.842 4.142 20 30 EIEDMO C#CCCCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000780643666 1045778037 /nfs/dbraw/zinc/77/80/37/1045778037.db2.gz GVZUWYUZWISHQT-LJQANCHMSA-N 1 1 332.532 4.073 20 30 EIEDMO C[C@@H](C#N)Oc1ccccc1N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768519681 1045813944 /nfs/dbraw/zinc/81/39/44/1045813944.db2.gz VTDHTODISHHUGF-HBFSDRIKSA-N 1 1 349.478 4.300 20 30 EIEDMO C[C@@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768519683 1045814632 /nfs/dbraw/zinc/81/46/32/1045814632.db2.gz VTDHTODISHHUGF-WSTZPKSXSA-N 1 1 349.478 4.300 20 30 EIEDMO C=CC[N@@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)C(C)C ZINC000768546744 1045822674 /nfs/dbraw/zinc/82/26/74/1045822674.db2.gz DRHMEOWHJNFNHS-UHFFFAOYSA-N 1 1 334.261 4.236 20 30 EIEDMO C=CC[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)C(C)C ZINC000768546744 1045822671 /nfs/dbraw/zinc/82/26/71/1045822671.db2.gz DRHMEOWHJNFNHS-UHFFFAOYSA-N 1 1 334.261 4.236 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000768776903 1045840979 /nfs/dbraw/zinc/84/09/79/1045840979.db2.gz IDIMKPSSQBEVHH-UHFFFAOYSA-N 1 1 348.446 4.277 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1OC ZINC000076904168 1045917759 /nfs/dbraw/zinc/91/77/59/1045917759.db2.gz UIPIZRIZZWSVPK-UHFFFAOYSA-N 1 1 346.496 4.358 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 ZINC000772804299 1045948053 /nfs/dbraw/zinc/94/80/53/1045948053.db2.gz WKCXHMXRTCBMAS-RMKNXTFCSA-N 1 1 331.350 4.088 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170285186 1045987814 /nfs/dbraw/zinc/98/78/14/1045987814.db2.gz RCNHXYDYWYUFTJ-KPFFTGBYSA-N 1 1 349.902 4.097 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC000769499990 1045997003 /nfs/dbraw/zinc/99/70/03/1045997003.db2.gz ULYFJMYFIMTZGW-LVCYWYKZSA-N 1 1 334.463 4.431 20 30 EIEDMO Cc1nc2c(s1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170389227 1046026993 /nfs/dbraw/zinc/02/69/93/1046026993.db2.gz NLLRXYQNZHVJEP-UHFFFAOYSA-N 1 1 337.492 4.214 20 30 EIEDMO CC(C)[N@@H+](C1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397689 1046030591 /nfs/dbraw/zinc/03/05/91/1046030591.db2.gz GFJBOUHCTOKKJH-UHFFFAOYSA-N 1 1 326.484 4.280 20 30 EIEDMO CC(C)N1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170376162 1046034542 /nfs/dbraw/zinc/03/45/42/1046034542.db2.gz KMPSTSOXJKSDCK-DWOCFRCJSA-N 1 1 339.527 4.099 20 30 EIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000769767653 1046059745 /nfs/dbraw/zinc/05/97/45/1046059745.db2.gz ZRGFVRRKAQRAAU-HOTGVXAUSA-N 1 1 337.508 4.036 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000274 1046126140 /nfs/dbraw/zinc/12/61/40/1046126140.db2.gz AVVCPUISESOAML-WOJBJXKFSA-N 1 1 340.854 4.472 20 30 EIEDMO CCCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000763407067 1046134529 /nfs/dbraw/zinc/13/45/29/1046134529.db2.gz MIEBYOPHNQRLNR-QFBILLFUSA-N 1 1 326.440 4.356 20 30 EIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763405605 1046134685 /nfs/dbraw/zinc/13/46/85/1046134685.db2.gz DNUUKPJGSHGJMR-QHCPKHFHSA-N 1 1 342.442 4.391 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1OCOC ZINC000793227360 1046175593 /nfs/dbraw/zinc/17/55/93/1046175593.db2.gz RVYZVXJPQFBBKN-UHFFFAOYSA-N 1 1 341.451 4.256 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C#N)c(C)c4)C3)nc2c1 ZINC000488164013 1046177700 /nfs/dbraw/zinc/17/77/00/1046177700.db2.gz PZKZYMHKZABWIZ-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C#N)c(C)c4)C3)[nH]c2c1 ZINC000488164013 1046177708 /nfs/dbraw/zinc/17/77/08/1046177708.db2.gz PZKZYMHKZABWIZ-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C#N)c(C)c4)C3)[nH]c2c1 ZINC000488164013 1046177720 /nfs/dbraw/zinc/17/77/20/1046177720.db2.gz PZKZYMHKZABWIZ-IBGZPJMESA-N 1 1 344.462 4.431 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)s1 ZINC000124955133 1046275250 /nfs/dbraw/zinc/27/52/50/1046275250.db2.gz VBEJXHYHIITJKA-UHFFFAOYSA-N 1 1 326.465 4.049 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793619669 1046316632 /nfs/dbraw/zinc/31/66/32/1046316632.db2.gz JRMDPODMWQZQON-UHFFFAOYSA-N 1 1 331.463 4.326 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000939 1046550243 /nfs/dbraw/zinc/55/02/43/1046550243.db2.gz DMAFWILKNZTTAT-GOSISDBHSA-N 1 1 335.369 4.427 20 30 EIEDMO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccc(C)cc1 ZINC000533884097 1046588009 /nfs/dbraw/zinc/58/80/09/1046588009.db2.gz HJUXFMWGAHACJB-KRWDZBQOSA-N 1 1 342.512 4.016 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000536664627 1046636061 /nfs/dbraw/zinc/63/60/61/1046636061.db2.gz RJJYJXIRRAUGTJ-NHCUHLMSSA-N 1 1 342.446 4.348 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000536664627 1046636074 /nfs/dbraw/zinc/63/60/74/1046636074.db2.gz RJJYJXIRRAUGTJ-NHCUHLMSSA-N 1 1 342.446 4.348 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000917095586 1046705612 /nfs/dbraw/zinc/70/56/12/1046705612.db2.gz NHUULQUAXNAJMS-UHFFFAOYSA-N 1 1 343.430 4.208 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459541560 1046764579 /nfs/dbraw/zinc/76/45/79/1046764579.db2.gz ZSCGLTNPFJNAKQ-FQEVSTJZSA-N 1 1 338.426 4.081 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459539492 1046764608 /nfs/dbraw/zinc/76/46/08/1046764608.db2.gz KBQCZPBEEHXSGU-FQEVSTJZSA-N 1 1 338.426 4.081 20 30 EIEDMO C=CC[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(C)C ZINC000917167061 1046795027 /nfs/dbraw/zinc/79/50/27/1046795027.db2.gz QXEBRKSFXZKCQX-UHFFFAOYSA-N 1 1 339.464 4.460 20 30 EIEDMO C=CC[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(C)C ZINC000917167061 1046795050 /nfs/dbraw/zinc/79/50/50/1046795050.db2.gz QXEBRKSFXZKCQX-UHFFFAOYSA-N 1 1 339.464 4.460 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(C)C ZINC000917167012 1046796295 /nfs/dbraw/zinc/79/62/95/1046796295.db2.gz NVKIMRVAFSADHC-UHFFFAOYSA-N 1 1 335.662 4.482 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(C)C ZINC000917167012 1046796299 /nfs/dbraw/zinc/79/62/99/1046796299.db2.gz NVKIMRVAFSADHC-UHFFFAOYSA-N 1 1 335.662 4.482 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459692922 1046858764 /nfs/dbraw/zinc/85/87/64/1046858764.db2.gz IIKVXSINRLZTLB-PMACEKPBSA-N 1 1 326.484 4.355 20 30 EIEDMO CCc1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497621448 1046888989 /nfs/dbraw/zinc/88/89/89/1046888989.db2.gz VCSMEAOYSYOWGL-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO CCc1ccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497621448 1046888993 /nfs/dbraw/zinc/88/89/93/1046888993.db2.gz VCSMEAOYSYOWGL-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000537037657 1046906480 /nfs/dbraw/zinc/90/64/80/1046906480.db2.gz STKRVBREEDMZFL-INIZCTEOSA-N 1 1 334.891 4.233 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000537114270 1046964099 /nfs/dbraw/zinc/96/40/99/1046964099.db2.gz HXGBARXIWQJIDZ-LBPRGKRZSA-N 1 1 329.271 4.069 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1Cl ZINC000537112644 1046965050 /nfs/dbraw/zinc/96/50/50/1046965050.db2.gz DOIXJIWMJQOLFC-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537185800 1047025268 /nfs/dbraw/zinc/02/52/68/1047025268.db2.gz VBQPDCFNIQXVRC-RBUKOAKNSA-N 1 1 343.515 4.037 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537185798 1047025544 /nfs/dbraw/zinc/02/55/44/1047025544.db2.gz VBQPDCFNIQXVRC-MOPGFXCFSA-N 1 1 343.515 4.037 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](C2C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491479 1047048610 /nfs/dbraw/zinc/04/86/10/1047048610.db2.gz JUUXZVAVAVPYAI-SQNIBIBYSA-N 1 1 348.531 4.288 20 30 EIEDMO C#CCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCCC1 ZINC000788219051 1047135707 /nfs/dbraw/zinc/13/57/07/1047135707.db2.gz ZSDJEBTUKXJKAS-PMACEKPBSA-N 1 1 344.543 4.073 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000537407034 1047199471 /nfs/dbraw/zinc/19/94/71/1047199471.db2.gz MQYZSYAWZPBQES-CQSZACIVSA-N 1 1 339.414 4.265 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/Cc3nc(Cl)ccc3C2=O)c2ccccn21 ZINC000806578173 1047287293 /nfs/dbraw/zinc/28/72/93/1047287293.db2.gz OMQZDEOXZVPVHJ-BENRWUELSA-N 1 1 337.810 4.329 20 30 EIEDMO C=CCCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000476085767 1047303540 /nfs/dbraw/zinc/30/35/40/1047303540.db2.gz VDFOEKQIKKJUAY-AZUAARDMSA-N 1 1 340.511 4.244 20 30 EIEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000918063896 1047311193 /nfs/dbraw/zinc/31/11/93/1047311193.db2.gz GCRFBEJOZUIVCO-SFHVURJKSA-N 1 1 343.515 4.167 20 30 EIEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000918063857 1047311801 /nfs/dbraw/zinc/31/18/01/1047311801.db2.gz CKHPJCVGLIFAAZ-GOSISDBHSA-N 1 1 343.515 4.167 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1Cl ZINC000788819447 1047317940 /nfs/dbraw/zinc/31/79/40/1047317940.db2.gz RWLRJBCJQDOZPN-MRXNPFEDSA-N 1 1 333.218 4.226 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC001170517515 1047405526 /nfs/dbraw/zinc/40/55/26/1047405526.db2.gz CHFCDHQJYNHTDH-UHFFFAOYSA-N 1 1 326.488 4.376 20 30 EIEDMO C=CCCCCCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000807094163 1047410882 /nfs/dbraw/zinc/41/08/82/1047410882.db2.gz UXRDCSWRHMARLN-ZWKOTPCHSA-N 1 1 335.536 4.075 20 30 EIEDMO C=CCCCCCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000807094162 1047411542 /nfs/dbraw/zinc/41/15/42/1047411542.db2.gz UXRDCSWRHMARLN-ROUUACIJSA-N 1 1 335.536 4.075 20 30 EIEDMO CCCCC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC ZINC000789575456 1047441254 /nfs/dbraw/zinc/44/12/54/1047441254.db2.gz KVRRMXGYESONAN-SCCNAQOGSA-N 1 1 342.483 4.102 20 30 EIEDMO C=CCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000807593172 1047477385 /nfs/dbraw/zinc/47/73/85/1047477385.db2.gz ZDBSXDZMVNGTOU-DFNIBXOVSA-N 1 1 335.536 4.170 20 30 EIEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1Br ZINC001137639233 1047502790 /nfs/dbraw/zinc/50/27/90/1047502790.db2.gz SUDMXRBXLSPTOU-UHFFFAOYSA-N 1 1 345.240 4.048 20 30 EIEDMO C[C@H]1CC(N=Nc2nccnc2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000807993701 1047566790 /nfs/dbraw/zinc/56/67/90/1047566790.db2.gz DTIHSVJWFRNVHF-INIZCTEOSA-N 1 1 349.482 4.197 20 30 EIEDMO CC(N=Nc1nccnc1C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807993148 1047568668 /nfs/dbraw/zinc/56/86/68/1047568668.db2.gz UVHPGFTWGLUULP-IBGZPJMESA-N 1 1 349.482 4.054 20 30 EIEDMO CC(N=Nc1nccnc1C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807993150 1047569111 /nfs/dbraw/zinc/56/91/11/1047569111.db2.gz UVHPGFTWGLUULP-LJQANCHMSA-N 1 1 349.482 4.054 20 30 EIEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919628 1047693423 /nfs/dbraw/zinc/69/34/23/1047693423.db2.gz SGWCZGGVRZPUKD-WOIUINJBSA-N 1 1 348.490 4.298 20 30 EIEDMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000130522485 1047725275 /nfs/dbraw/zinc/72/52/75/1047725275.db2.gz UOWYUMYZQMBAST-OAQYLSRUSA-N 1 1 330.435 4.315 20 30 EIEDMO C#CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCc2ccccc21 ZINC000154888104 1047744666 /nfs/dbraw/zinc/74/46/66/1047744666.db2.gz WSORSZUFKUPZDJ-NRFANRHFSA-N 1 1 344.462 4.135 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001171058420 1047879383 /nfs/dbraw/zinc/87/93/83/1047879383.db2.gz UMJLEWGIADJUJH-KRWDZBQOSA-N 1 1 344.499 4.482 20 30 EIEDMO C=C(Br)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000919648000 1047919367 /nfs/dbraw/zinc/91/93/67/1047919367.db2.gz ZTHDCYBZCPDLQB-UHFFFAOYSA-N 1 1 338.245 4.069 20 30 EIEDMO C=C(Br)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000919648000 1047919394 /nfs/dbraw/zinc/91/93/94/1047919394.db2.gz ZTHDCYBZCPDLQB-UHFFFAOYSA-N 1 1 338.245 4.069 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001127522722 1048091074 /nfs/dbraw/zinc/09/10/74/1048091074.db2.gz JYTOPDFXSQAOIO-CEWLAPEOSA-N 1 1 342.527 4.396 20 30 EIEDMO CC(C)C(=O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000808735449 1048096722 /nfs/dbraw/zinc/09/67/22/1048096722.db2.gz WWKFWKFEOILXRA-UHFFFAOYSA-N 1 1 338.426 4.315 20 30 EIEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1C(F)(F)F ZINC001143351460 1048109170 /nfs/dbraw/zinc/10/91/70/1048109170.db2.gz YPUZGPQQIIJVDS-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1C(F)(F)F ZINC001143351460 1048109180 /nfs/dbraw/zinc/10/91/80/1048109180.db2.gz YPUZGPQQIIJVDS-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793274 1048111746 /nfs/dbraw/zinc/11/17/46/1048111746.db2.gz ADMFDMSURLORHC-IYBDPMFKSA-N 1 1 340.389 4.380 20 30 EIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143361963 1048115419 /nfs/dbraw/zinc/11/54/19/1048115419.db2.gz GAWJLUIFPCNORA-NSHDSACASA-N 1 1 332.753 4.364 20 30 EIEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143361963 1048115423 /nfs/dbraw/zinc/11/54/23/1048115423.db2.gz GAWJLUIFPCNORA-NSHDSACASA-N 1 1 332.753 4.364 20 30 EIEDMO N#Cc1cccc(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)c1 ZINC001143726472 1048176928 /nfs/dbraw/zinc/17/69/28/1048176928.db2.gz RICRYAPVQPQJMY-UHFFFAOYSA-N 1 1 335.838 4.463 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000815023514 1048301653 /nfs/dbraw/zinc/30/16/53/1048301653.db2.gz XGCPZAPBGADSPJ-DNVCBOLYSA-N 1 1 334.419 4.421 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OCC2CCC(C#N)CC2)cc1)C(C)C ZINC000805930568 1048303734 /nfs/dbraw/zinc/30/37/34/1048303734.db2.gz SHLHNNZSEVCWEB-UHFFFAOYSA-N 1 1 342.483 4.404 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815027780 1048307861 /nfs/dbraw/zinc/30/78/61/1048307861.db2.gz JCNMUDQMWNOOEM-LJQANCHMSA-N 1 1 332.403 4.026 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000809632658 1048444106 /nfs/dbraw/zinc/44/41/06/1048444106.db2.gz UVJDCBDDOYVJNE-UHFFFAOYSA-N 1 1 332.491 4.190 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2cccc3ccccc32)nc1 ZINC001144169213 1048483187 /nfs/dbraw/zinc/48/31/87/1048483187.db2.gz ABLXDWKNPFBEKL-OAQYLSRUSA-N 1 1 345.471 4.397 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2cccc3ccccc32)nc1 ZINC001144169213 1048483192 /nfs/dbraw/zinc/48/31/92/1048483192.db2.gz ABLXDWKNPFBEKL-OAQYLSRUSA-N 1 1 345.471 4.397 20 30 EIEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC001170593425 1048594716 /nfs/dbraw/zinc/59/47/16/1048594716.db2.gz LLPISFIUZDRFDG-UHFFFAOYSA-N 1 1 343.268 4.304 20 30 EIEDMO Oc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382019 1048628782 /nfs/dbraw/zinc/62/87/82/1048628782.db2.gz SJEYGADYULVYCN-GFCCVEGCSA-N 1 1 345.258 4.135 20 30 EIEDMO Oc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382019 1048628802 /nfs/dbraw/zinc/62/88/02/1048628802.db2.gz SJEYGADYULVYCN-GFCCVEGCSA-N 1 1 345.258 4.135 20 30 EIEDMO Oc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382020 1048629521 /nfs/dbraw/zinc/62/95/21/1048629521.db2.gz SJEYGADYULVYCN-LBPRGKRZSA-N 1 1 345.258 4.135 20 30 EIEDMO Oc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382020 1048629531 /nfs/dbraw/zinc/62/95/31/1048629531.db2.gz SJEYGADYULVYCN-LBPRGKRZSA-N 1 1 345.258 4.135 20 30 EIEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000810114596 1048634646 /nfs/dbraw/zinc/63/46/46/1048634646.db2.gz FFGCYUCZZWFZQC-LRQRDZAKSA-N 1 1 347.462 4.011 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1F ZINC001144444309 1048677604 /nfs/dbraw/zinc/67/76/04/1048677604.db2.gz UIBRLHXFMPHCTR-UHFFFAOYSA-N 1 1 327.399 4.191 20 30 EIEDMO C[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCN(Cc2ccccc2)C1 ZINC000810238666 1048721747 /nfs/dbraw/zinc/72/17/47/1048721747.db2.gz RYTLXPPTPRJXNB-XZOQPEGZSA-N 1 1 345.490 4.047 20 30 EIEDMO C[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCN(Cc2ccccc2)C1 ZINC000810238664 1048722826 /nfs/dbraw/zinc/72/28/26/1048722826.db2.gz RYTLXPPTPRJXNB-GOTSBHOMSA-N 1 1 345.490 4.047 20 30 EIEDMO FC(F)(F)c1ncccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001144561351 1048728612 /nfs/dbraw/zinc/72/86/12/1048728612.db2.gz OOXIJHALKSABIG-UHFFFAOYSA-N 1 1 344.380 4.364 20 30 EIEDMO C[C@H]1[C@H](OC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000816470372 1048807995 /nfs/dbraw/zinc/80/79/95/1048807995.db2.gz MQWYUASZNKRYNM-PKOBYXMFSA-N 1 1 328.456 4.057 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001171211410 1048808411 /nfs/dbraw/zinc/80/84/11/1048808411.db2.gz ZDDCOZIAPSAZPD-IBGZPJMESA-N 1 1 347.506 4.086 20 30 EIEDMO C[N@H+](Cc1ccc(OCc2ccccc2F)cc1)CC(C)(C)C#N ZINC000816632708 1048851332 /nfs/dbraw/zinc/85/13/32/1048851332.db2.gz VRHWPVYBVHQUCK-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2ccccc2F)cc1)CC(C)(C)C#N ZINC000816632708 1048851334 /nfs/dbraw/zinc/85/13/34/1048851334.db2.gz VRHWPVYBVHQUCK-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000772949898 1048887575 /nfs/dbraw/zinc/88/75/75/1048887575.db2.gz ZDXXQQCLCRFVHC-MRXNPFEDSA-N 1 1 336.907 4.341 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000772949898 1048887578 /nfs/dbraw/zinc/88/75/78/1048887578.db2.gz ZDXXQQCLCRFVHC-MRXNPFEDSA-N 1 1 336.907 4.341 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847030360 1048984179 /nfs/dbraw/zinc/98/41/79/1048984179.db2.gz MLKPIBXIWOTFSA-GOSISDBHSA-N 1 1 332.447 4.027 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)nc3Cl)CCC2)cc1 ZINC000847061716 1048994059 /nfs/dbraw/zinc/99/40/59/1048994059.db2.gz WLGHOUMIQLLFSK-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)c1 ZINC000817576731 1049005546 /nfs/dbraw/zinc/00/55/46/1049005546.db2.gz VTXKIEKYORVPQZ-CQSZACIVSA-N 1 1 348.269 4.018 20 30 EIEDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609384858 1049043343 /nfs/dbraw/zinc/04/33/43/1049043343.db2.gz KWXNACQLQKQUJW-CVEARBPZSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609384858 1049043359 /nfs/dbraw/zinc/04/33/59/1049043359.db2.gz KWXNACQLQKQUJW-CVEARBPZSA-N 1 1 345.512 4.141 20 30 EIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2ccc(Br)cc2C1 ZINC001170887935 1049094149 /nfs/dbraw/zinc/09/41/49/1049094149.db2.gz ZYTBZSKUTMONOL-BIMQEMHKSA-N 1 1 345.284 4.073 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 ZINC000811691058 1049226715 /nfs/dbraw/zinc/22/67/15/1049226715.db2.gz IZJTUMHTJAPPMQ-YFHOEESVSA-N 1 1 331.350 4.088 20 30 EIEDMO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823559 1049345021 /nfs/dbraw/zinc/34/50/21/1049345021.db2.gz QHRYNNIMXMZNJB-QZTJIDSGSA-N 1 1 349.478 4.007 20 30 EIEDMO CC(C)[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000064568869 1049350503 /nfs/dbraw/zinc/35/05/03/1049350503.db2.gz WBIKIFKJRUPIBO-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO CC(C)[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000064568869 1049350516 /nfs/dbraw/zinc/35/05/16/1049350516.db2.gz WBIKIFKJRUPIBO-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO C=CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001148727951 1049362351 /nfs/dbraw/zinc/36/23/51/1049362351.db2.gz YVKHRRFMUNTFMT-LJQANCHMSA-N 1 1 340.511 4.007 20 30 EIEDMO CC(C)OCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064620748 1049374921 /nfs/dbraw/zinc/37/49/21/1049374921.db2.gz VMMOYGVOCUATPC-UHFFFAOYSA-N 1 1 326.415 4.125 20 30 EIEDMO C[C@@H](NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818477 1049375301 /nfs/dbraw/zinc/37/53/01/1049375301.db2.gz MQOFMYBKSABSNY-IIBYNOLFSA-N 1 1 334.467 4.088 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)cc1 ZINC000820162601 1049446854 /nfs/dbraw/zinc/44/68/54/1049446854.db2.gz YOBCMJPEPNYQBC-HNNXBMFYSA-N 1 1 325.836 4.262 20 30 EIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001171372959 1049536869 /nfs/dbraw/zinc/53/68/69/1049536869.db2.gz NARDDIPEHWFRHQ-CYBMUJFWSA-N 1 1 337.423 4.049 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000812793233 1049591820 /nfs/dbraw/zinc/59/18/20/1049591820.db2.gz PRUGYWNFIPGSPW-KRWDZBQOSA-N 1 1 345.801 4.105 20 30 EIEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847702 1049609988 /nfs/dbraw/zinc/60/99/88/1049609988.db2.gz FTGWHQDMVNFFFL-JXFKEZNVSA-N 1 1 327.855 4.136 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849957 1049610096 /nfs/dbraw/zinc/61/00/96/1049610096.db2.gz RZJSQEHQRZEJMT-OXQOHEQNSA-N 1 1 327.855 4.136 20 30 EIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067962749 1049672468 /nfs/dbraw/zinc/67/24/68/1049672468.db2.gz YLZMJQWXKHYPBX-OAHLLOKOSA-N 1 1 347.418 4.326 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000615438850 1049681211 /nfs/dbraw/zinc/68/12/11/1049681211.db2.gz FVCWQPCUIJEDHW-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000615438850 1049681218 /nfs/dbraw/zinc/68/12/18/1049681218.db2.gz FVCWQPCUIJEDHW-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000615438850 1049681232 /nfs/dbraw/zinc/68/12/32/1049681232.db2.gz FVCWQPCUIJEDHW-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000773303096 1049700660 /nfs/dbraw/zinc/70/06/60/1049700660.db2.gz FTXJISRUKMBTLW-IBGZPJMESA-N 1 1 346.902 4.004 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC001136596608 1049772209 /nfs/dbraw/zinc/77/22/09/1049772209.db2.gz NBRZWKGWAVBKSL-FQEVSTJZSA-N 1 1 342.483 4.377 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000615798788 1049781129 /nfs/dbraw/zinc/78/11/29/1049781129.db2.gz YEVPXCCYEKNCIB-MOJGAOKDSA-N 1 1 347.506 4.113 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846438 1049812332 /nfs/dbraw/zinc/81/23/32/1049812332.db2.gz CEEFTPRTCUNBON-CZUORRHYSA-N 1 1 341.373 4.208 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846438 1049812335 /nfs/dbraw/zinc/81/23/35/1049812335.db2.gz CEEFTPRTCUNBON-CZUORRHYSA-N 1 1 341.373 4.208 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(F)c1 ZINC000813782482 1049815091 /nfs/dbraw/zinc/81/50/91/1049815091.db2.gz BESXYRNKYSYGCT-YADHBBJMSA-N 1 1 346.405 4.262 20 30 EIEDMO CC(C)C[C@@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066793 1049850809 /nfs/dbraw/zinc/85/08/09/1049850809.db2.gz BHJQUCWYVZLLJF-XSDIEEQYSA-N 1 1 325.500 4.100 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310001 1049874892 /nfs/dbraw/zinc/87/48/92/1049874892.db2.gz ZFOAQLDOJNJPBH-JPYJTQIMSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001172309946 1049874907 /nfs/dbraw/zinc/87/49/07/1049874907.db2.gz YINVSHQMOIMEEM-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccc(Br)cc2C1 ZINC001172309946 1049874908 /nfs/dbraw/zinc/87/49/08/1049874908.db2.gz YINVSHQMOIMEEM-ZDUSSCGKSA-N 1 1 341.252 4.268 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311702 1049875330 /nfs/dbraw/zinc/87/53/30/1049875330.db2.gz WELULNZQBWBFLK-SFHVURJKSA-N 1 1 345.446 4.488 20 30 EIEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311913 1049875356 /nfs/dbraw/zinc/87/53/56/1049875356.db2.gz CJNPGTSZKZODCI-IERDGZPVSA-N 1 1 348.446 4.113 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172313099 1049875612 /nfs/dbraw/zinc/87/56/12/1049875612.db2.gz PAIDQCRGGZZOSQ-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311915 1049875652 /nfs/dbraw/zinc/87/56/52/1049875652.db2.gz CJNPGTSZKZODCI-IIBYNOLFSA-N 1 1 348.446 4.113 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)[C@@H]2CC ZINC001172373463 1049883986 /nfs/dbraw/zinc/88/39/86/1049883986.db2.gz MPHWIZYYOOLQOZ-MERXZDIISA-N 1 1 332.532 4.233 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001172356306 1049894570 /nfs/dbraw/zinc/89/45/70/1049894570.db2.gz VWNLKXCDRDTYTA-UYAOXDASSA-N 1 1 330.520 4.270 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001172359610 1049895396 /nfs/dbraw/zinc/89/53/96/1049895396.db2.gz YZMSYPFBDVXKHT-KRWDZBQOSA-N 1 1 336.524 4.158 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001172359610 1049895398 /nfs/dbraw/zinc/89/53/98/1049895398.db2.gz YZMSYPFBDVXKHT-KRWDZBQOSA-N 1 1 336.524 4.158 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172499083 1049922686 /nfs/dbraw/zinc/92/26/86/1049922686.db2.gz AMVMSKCNCWQFBJ-LJQANCHMSA-N 1 1 347.506 4.474 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001172510102 1049925166 /nfs/dbraw/zinc/92/51/66/1049925166.db2.gz VNWWEPOELDPPLF-GTPINHCMSA-N 1 1 337.508 4.179 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729080 1049968153 /nfs/dbraw/zinc/96/81/53/1049968153.db2.gz PAERWZDUDXNIMQ-PZJWPPBQSA-N 1 1 333.516 4.316 20 30 EIEDMO C=CC[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000249586375 1050102374 /nfs/dbraw/zinc/10/23/74/1050102374.db2.gz TWUHJJQEVWIHED-AZUAARDMSA-N 1 1 328.500 4.117 20 30 EIEDMO COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793705 1050158295 /nfs/dbraw/zinc/15/82/95/1050158295.db2.gz BSYKNOXABCFPCO-FUHWJXTLSA-N 1 1 348.874 4.178 20 30 EIEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875735 1050216098 /nfs/dbraw/zinc/21/60/98/1050216098.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001172875735 1050216103 /nfs/dbraw/zinc/21/61/03/1050216103.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172875735 1050216111 /nfs/dbraw/zinc/21/61/11/1050216111.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483219 1050223962 /nfs/dbraw/zinc/22/39/62/1050223962.db2.gz JIAJDNRKKSWLCO-QGZVFWFLSA-N 1 1 327.516 4.088 20 30 EIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483219 1050223971 /nfs/dbraw/zinc/22/39/71/1050223971.db2.gz JIAJDNRKKSWLCO-QGZVFWFLSA-N 1 1 327.516 4.088 20 30 EIEDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181823962 1050351282 /nfs/dbraw/zinc/35/12/82/1050351282.db2.gz KVHDAOIDVHSKJG-KBPBESRZSA-N 1 1 328.387 4.148 20 30 EIEDMO N#Cc1ccccc1OC1C[NH+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173207697 1050368628 /nfs/dbraw/zinc/36/86/28/1050368628.db2.gz IETLTTVPFPVKBV-UHFFFAOYSA-N 1 1 348.446 4.011 20 30 EIEDMO N#Cc1ccc(F)cc1S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001186756616 1050407138 /nfs/dbraw/zinc/40/71/38/1050407138.db2.gz DKZWQEIHVRCLLD-GOSISDBHSA-N 1 1 326.440 4.454 20 30 EIEDMO C=CCOC1CCC([N@@H+](CC)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173326550 1050417687 /nfs/dbraw/zinc/41/76/87/1050417687.db2.gz JWMXGBGNCKFOHU-ORFBVSJDSA-N 1 1 342.527 4.097 20 30 EIEDMO C=CCOC1CCC([N@@H+](CC)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173326549 1050417833 /nfs/dbraw/zinc/41/78/33/1050417833.db2.gz JWMXGBGNCKFOHU-ATKRNPRHSA-N 1 1 342.527 4.097 20 30 EIEDMO C=CCOC1CCC([NH+]2CCC(N(C)Cc3ccccc3)CC2)CC1 ZINC001173327633 1050419800 /nfs/dbraw/zinc/41/98/00/1050419800.db2.gz QEQKCPUGYRJBAD-UHFFFAOYSA-N 1 1 342.527 4.097 20 30 EIEDMO N#CCC1CCC([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173333285 1050422397 /nfs/dbraw/zinc/42/23/97/1050422397.db2.gz MYPYTNRQVLXGCT-ULVUTOHESA-N 1 1 338.495 4.498 20 30 EIEDMO C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(CC#N)CC1 ZINC001173336099 1050424900 /nfs/dbraw/zinc/42/49/00/1050424900.db2.gz NKFCMLTWYUCYSK-UHFFFAOYSA-N 1 1 349.519 4.038 20 30 EIEDMO N#CCC1CCC([NH+]2CC(Oc3ccccc3C(F)(F)F)C2)CC1 ZINC001173339747 1050427040 /nfs/dbraw/zinc/42/70/40/1050427040.db2.gz SDWHSHPBSNMVKC-UHFFFAOYSA-N 1 1 338.373 4.241 20 30 EIEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CCC(CC#N)CC1 ZINC001173338902 1050428622 /nfs/dbraw/zinc/42/86/22/1050428622.db2.gz AZSHBUMLXPNQLU-UHFFFAOYSA-N 1 1 326.362 4.489 20 30 EIEDMO CC1(C#N)CCC([NH+]2CCC(N)(c3cccc(Cl)c3)CC2)CC1 ZINC001173591381 1050495498 /nfs/dbraw/zinc/49/54/98/1050495498.db2.gz HAHJQLWDYDQRNI-UHFFFAOYSA-N 1 1 331.891 4.062 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173598966 1050500435 /nfs/dbraw/zinc/50/04/35/1050500435.db2.gz XFSRCHTYVPNMDL-JSOIOWGOSA-N 1 1 326.484 4.422 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000618741963 1050504230 /nfs/dbraw/zinc/50/42/30/1050504230.db2.gz JDHIQUSZIYSGPG-SFHVURJKSA-N 1 1 331.444 4.459 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000618801690 1050520201 /nfs/dbraw/zinc/52/02/01/1050520201.db2.gz BRJLGPRUFGRRIB-HYVJGQCMSA-N 1 1 345.490 4.046 20 30 EIEDMO N#CCC[N@H+](C1CCN(CC(F)(F)F)CC1)C1CCCCCCC1 ZINC001173669625 1050523447 /nfs/dbraw/zinc/52/34/47/1050523447.db2.gz QOTKUZNVZHFEFT-UHFFFAOYSA-N 1 1 345.453 4.342 20 30 EIEDMO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808023 1050536376 /nfs/dbraw/zinc/53/63/76/1050536376.db2.gz YNSNMQRGPSMPKW-BUVFEPMLSA-N 1 1 337.511 4.178 20 30 EIEDMO N#CCc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1 ZINC001179027890 1050620406 /nfs/dbraw/zinc/62/04/06/1050620406.db2.gz BGCMRQNPAGXLFX-UHFFFAOYSA-N 1 1 336.769 4.297 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000619465920 1050790654 /nfs/dbraw/zinc/79/06/54/1050790654.db2.gz HYVYPFDOSLLCMZ-NFBKMPQASA-N 1 1 345.490 4.047 20 30 EIEDMO C#Cc1ccc(C[N@@H+](CCC)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001179892755 1050804644 /nfs/dbraw/zinc/80/46/44/1050804644.db2.gz RBMOQPMXYJHDHO-UHFFFAOYSA-N 1 1 340.854 4.172 20 30 EIEDMO C#Cc1ccc(C[N@@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1 ZINC001179878794 1050815483 /nfs/dbraw/zinc/81/54/83/1050815483.db2.gz SIOYXACKQFLNCF-QHCPKHFHSA-N 1 1 333.475 4.200 20 30 EIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620246 1050841046 /nfs/dbraw/zinc/84/10/46/1050841046.db2.gz MNAGSGLHQXNCOP-IBGZPJMESA-N 1 1 342.483 4.323 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1N(C)C ZINC001179965841 1050851034 /nfs/dbraw/zinc/85/10/34/1050851034.db2.gz AQHNDPHGQICXCT-UHFFFAOYSA-N 1 1 328.431 4.089 20 30 EIEDMO C#CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1CCCCC1 ZINC001180029872 1050857871 /nfs/dbraw/zinc/85/78/71/1050857871.db2.gz GSCZOHSZIWEBHG-QGZVFWFLSA-N 1 1 336.520 4.051 20 30 EIEDMO C#CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC1CC1 ZINC001180117136 1050890167 /nfs/dbraw/zinc/89/01/67/1050890167.db2.gz SDENBSDSXRJMQL-UHFFFAOYSA-N 1 1 330.475 4.095 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749000 1050896796 /nfs/dbraw/zinc/89/67/96/1050896796.db2.gz VUBZYYHOPKTBQI-DNVCBOLYSA-N 1 1 339.870 4.137 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749000 1050896800 /nfs/dbraw/zinc/89/68/00/1050896800.db2.gz VUBZYYHOPKTBQI-DNVCBOLYSA-N 1 1 339.870 4.137 20 30 EIEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC001180203681 1050913201 /nfs/dbraw/zinc/91/32/01/1050913201.db2.gz XHKKZOWDMWSREC-NRFANRHFSA-N 1 1 336.483 4.361 20 30 EIEDMO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC001189255209 1050940216 /nfs/dbraw/zinc/94/02/16/1050940216.db2.gz NCQCMZLEJRHWMU-UHFFFAOYSA-N 1 1 338.455 4.238 20 30 EIEDMO N#Cc1c2ccccc2sc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174447410 1050951967 /nfs/dbraw/zinc/95/19/67/1050951967.db2.gz BQYKKCGIDYKZJU-UHFFFAOYSA-N 1 1 349.459 4.349 20 30 EIEDMO C#CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)[C@H]1CCc2ccccc21 ZINC001180297061 1050957714 /nfs/dbraw/zinc/95/77/14/1050957714.db2.gz QPWNNFSRXHXJHA-QHCPKHFHSA-N 1 1 341.458 4.303 20 30 EIEDMO C#CC[N@H+](Cc1cnn(-c2ccccc2C)c1)[C@H]1CCc2ccccc21 ZINC001180297061 1050957732 /nfs/dbraw/zinc/95/77/32/1050957732.db2.gz QPWNNFSRXHXJHA-QHCPKHFHSA-N 1 1 341.458 4.303 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)ccc1C#N ZINC001180404245 1050983591 /nfs/dbraw/zinc/98/35/91/1050983591.db2.gz SRHPTUDOFWANIL-KUHUBIRLSA-N 1 1 336.435 4.448 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)ccc1C#N ZINC001180404245 1050983574 /nfs/dbraw/zinc/98/35/74/1050983574.db2.gz SRHPTUDOFWANIL-KUHUBIRLSA-N 1 1 336.435 4.448 20 30 EIEDMO CC(C)[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001174574743 1051059899 /nfs/dbraw/zinc/05/98/99/1051059899.db2.gz NIKBTWJRKBOQOD-KITAHSCOSA-N 1 1 339.527 4.159 20 30 EIEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1Br)C(C)(C)C ZINC001174642098 1051095372 /nfs/dbraw/zinc/09/53/72/1051095372.db2.gz QDODESMBJKPCJG-UHFFFAOYSA-N 1 1 340.261 4.022 20 30 EIEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1Br)C(C)(C)C ZINC001174642098 1051095379 /nfs/dbraw/zinc/09/53/79/1051095379.db2.gz QDODESMBJKPCJG-UHFFFAOYSA-N 1 1 340.261 4.022 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763620100 1051134467 /nfs/dbraw/zinc/13/44/67/1051134467.db2.gz DWIALVCPFFQZKJ-UHFFFAOYSA-N 1 1 345.849 4.461 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CCCCC)cc1 ZINC001174781012 1051173308 /nfs/dbraw/zinc/17/33/08/1051173308.db2.gz SUXDLOLOFMRSRD-HXUWFJFHSA-N 1 1 326.484 4.431 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCCCC)cc1 ZINC001174781011 1051173556 /nfs/dbraw/zinc/17/35/56/1051173556.db2.gz SUXDLOLOFMRSRD-FQEVSTJZSA-N 1 1 326.484 4.431 20 30 EIEDMO C#CCC[N@H+](CCOC)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001174846510 1051208407 /nfs/dbraw/zinc/20/84/07/1051208407.db2.gz VXUOPIWKOJYESN-UHFFFAOYSA-N 1 1 345.389 4.229 20 30 EIEDMO CC(C)C[N@@H+](CCN1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC001190616704 1051220842 /nfs/dbraw/zinc/22/08/42/1051220842.db2.gz QIRGZWJXDDYESB-UHFFFAOYSA-N 1 1 347.506 4.469 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153870434 1051237867 /nfs/dbraw/zinc/23/78/67/1051237867.db2.gz BACBNOFWBRMBPY-SFHVURJKSA-N 1 1 346.352 4.169 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000775404584 1051258937 /nfs/dbraw/zinc/25/89/37/1051258937.db2.gz PRECWCSGAGQLIW-NRFANRHFSA-N 1 1 341.458 4.215 20 30 EIEDMO CN(C)CC[N@@H+](CCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001181564383 1051259852 /nfs/dbraw/zinc/25/98/52/1051259852.db2.gz LXZCZFCGEUOKME-UHFFFAOYSA-N 1 1 327.516 4.282 20 30 EIEDMO C[NH+](C)CCN(CCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001181564383 1051259863 /nfs/dbraw/zinc/25/98/63/1051259863.db2.gz LXZCZFCGEUOKME-UHFFFAOYSA-N 1 1 327.516 4.282 20 30 EIEDMO C=CC[N@@H+](CCOC1CCC1)Cc1cc(Br)ccc1F ZINC001190752633 1051271923 /nfs/dbraw/zinc/27/19/23/1051271923.db2.gz MZXPVWDGHBAIDU-UHFFFAOYSA-N 1 1 342.252 4.145 20 30 EIEDMO C=CC[N@H+](CCOC1CCC1)Cc1cc(Br)ccc1F ZINC001190752633 1051271932 /nfs/dbraw/zinc/27/19/32/1051271932.db2.gz MZXPVWDGHBAIDU-UHFFFAOYSA-N 1 1 342.252 4.145 20 30 EIEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC001190855568 1051291591 /nfs/dbraw/zinc/29/15/91/1051291591.db2.gz TVDSZRIBJJSALL-OAHLLOKOSA-N 1 1 339.401 4.072 20 30 EIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001190936424 1051305346 /nfs/dbraw/zinc/30/53/46/1051305346.db2.gz XFKFLWCHOQYOOO-JOCHJYFZSA-N 1 1 334.463 4.381 20 30 EIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001190936428 1051306254 /nfs/dbraw/zinc/30/62/54/1051306254.db2.gz XFKFLWCHOQYOOO-QFIPXVFZSA-N 1 1 334.463 4.381 20 30 EIEDMO C=CCCC(C)(C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000620858003 1051380339 /nfs/dbraw/zinc/38/03/39/1051380339.db2.gz RSBZVYIWGKFFBX-QGZVFWFLSA-N 1 1 343.515 4.354 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182135 1051390443 /nfs/dbraw/zinc/39/04/43/1051390443.db2.gz PFYZEJJWVKKELB-MRXNPFEDSA-N 1 1 326.827 4.210 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)ccc1Cl ZINC001191193192 1051393670 /nfs/dbraw/zinc/39/36/70/1051393670.db2.gz JZBVAVNUKHOTSU-GDBMZVCRSA-N 1 1 347.890 4.016 20 30 EIEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1OC(C)C ZINC001175191398 1051416649 /nfs/dbraw/zinc/41/66/49/1051416649.db2.gz BJEIHTMKENOFHF-UHFFFAOYSA-N 1 1 341.480 4.447 20 30 EIEDMO CCCC[N@@H+](CC)[C@H](C(=O)N[C@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230826 1051429209 /nfs/dbraw/zinc/42/92/09/1051429209.db2.gz FFIRQFUUOBAROG-RTWAWAEBSA-N 1 1 349.478 4.231 20 30 EIEDMO CCCC[N@@H+](CC)[C@H](C(=O)N[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230827 1051430277 /nfs/dbraw/zinc/43/02/77/1051430277.db2.gz FFIRQFUUOBAROG-SFTDATJTSA-N 1 1 349.478 4.231 20 30 EIEDMO CCCC[N@@H+](CC)[C@H](C(=O)Nc1occ(C)c1C#N)c1ccccc1 ZINC001182231593 1051430459 /nfs/dbraw/zinc/43/04/59/1051430459.db2.gz KIAFDHXUOPGFLK-SFHVURJKSA-N 1 1 339.439 4.262 20 30 EIEDMO N#CCC[N@H+](CCCCOc1ccccc1C(F)(F)F)CC1CC1 ZINC001191367868 1051444385 /nfs/dbraw/zinc/44/43/85/1051444385.db2.gz VGUGDVNRNUZZFI-UHFFFAOYSA-N 1 1 340.389 4.490 20 30 EIEDMO C#CCCCCCC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175254519 1051494142 /nfs/dbraw/zinc/49/41/42/1051494142.db2.gz AQGLMEWEOQYMOT-OAQYLSRUSA-N 1 1 340.511 4.083 20 30 EIEDMO C=CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194344 1051494769 /nfs/dbraw/zinc/49/47/69/1051494769.db2.gz XJQZDDHYOHQRBV-BXXSPATCSA-N 1 1 347.506 4.484 20 30 EIEDMO C=CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194344 1051494773 /nfs/dbraw/zinc/49/47/73/1051494773.db2.gz XJQZDDHYOHQRBV-BXXSPATCSA-N 1 1 347.506 4.484 20 30 EIEDMO C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000774194344 1051494781 /nfs/dbraw/zinc/49/47/81/1051494781.db2.gz XJQZDDHYOHQRBV-BXXSPATCSA-N 1 1 347.506 4.484 20 30 EIEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1ccc(Cl)cc1 ZINC000183835025 1051512546 /nfs/dbraw/zinc/51/25/46/1051512546.db2.gz KWOKBJGZGUMULK-CQSZACIVSA-N 1 1 344.842 4.177 20 30 EIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000156970511 1051586207 /nfs/dbraw/zinc/58/62/07/1051586207.db2.gz PPTGXUYRVDQLOK-QGZVFWFLSA-N 1 1 345.512 4.141 20 30 EIEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC001191996360 1051600199 /nfs/dbraw/zinc/60/01/99/1051600199.db2.gz BJSCUBIPVJIPJJ-QFIPXVFZSA-N 1 1 340.426 4.293 20 30 EIEDMO N#CCC1(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001192183658 1051662653 /nfs/dbraw/zinc/66/26/53/1051662653.db2.gz LCPMFVWCXJIRJC-UHFFFAOYSA-N 1 1 337.511 4.201 20 30 EIEDMO N#CCC1(C[N@@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001192183658 1051662659 /nfs/dbraw/zinc/66/26/59/1051662659.db2.gz LCPMFVWCXJIRJC-UHFFFAOYSA-N 1 1 337.511 4.201 20 30 EIEDMO N#CCC1(C[N@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001192183658 1051662664 /nfs/dbraw/zinc/66/26/64/1051662664.db2.gz LCPMFVWCXJIRJC-UHFFFAOYSA-N 1 1 337.511 4.201 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774556339 1051725041 /nfs/dbraw/zinc/72/50/41/1051725041.db2.gz RRZJVECEQMLETL-LJQANCHMSA-N 1 1 328.843 4.157 20 30 EIEDMO C#CCCCCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001192585682 1051772487 /nfs/dbraw/zinc/77/24/87/1051772487.db2.gz ZNFATJPMVAXJBD-UHFFFAOYSA-N 1 1 325.452 4.131 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc1 ZINC001183024862 1051773419 /nfs/dbraw/zinc/77/34/19/1051773419.db2.gz QCRCQPHVHHDUHB-KRWDZBQOSA-N 1 1 325.839 4.325 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001192653614 1051780527 /nfs/dbraw/zinc/78/05/27/1051780527.db2.gz PDHLRVLWWZGVNU-OAHLLOKOSA-N 1 1 346.858 4.299 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001192653614 1051780540 /nfs/dbraw/zinc/78/05/40/1051780540.db2.gz PDHLRVLWWZGVNU-OAHLLOKOSA-N 1 1 346.858 4.299 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC001193011039 1051851882 /nfs/dbraw/zinc/85/18/82/1051851882.db2.gz FMRPSONMATVZAI-LJQANCHMSA-N 1 1 349.865 4.206 20 30 EIEDMO CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001193210572 1051887295 /nfs/dbraw/zinc/88/72/95/1051887295.db2.gz OIECMCVOJNRYAL-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210572 1051887299 /nfs/dbraw/zinc/88/72/99/1051887299.db2.gz OIECMCVOJNRYAL-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210572 1051887301 /nfs/dbraw/zinc/88/73/01/1051887301.db2.gz OIECMCVOJNRYAL-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](CC)C[C@@H](CC)c2ccccc2)c1=S ZINC000774702733 1051935085 /nfs/dbraw/zinc/93/50/85/1051935085.db2.gz OSEHTTJGRPEABH-QGZVFWFLSA-N 1 1 344.528 4.382 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](CC)C[C@@H](CC)c2ccccc2)c1=S ZINC000774702733 1051935095 /nfs/dbraw/zinc/93/50/95/1051935095.db2.gz OSEHTTJGRPEABH-QGZVFWFLSA-N 1 1 344.528 4.382 20 30 EIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC001193517409 1051942629 /nfs/dbraw/zinc/94/26/29/1051942629.db2.gz SETMDJBJTOKXIN-CQSZACIVSA-N 1 1 345.874 4.195 20 30 EIEDMO CC(C)[C@H](C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044982 1051943463 /nfs/dbraw/zinc/94/34/63/1051943463.db2.gz GTAJJGDUYHNBIX-FCHUYYIVSA-N 1 1 334.463 4.371 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCCC[C@@H]2C)ccc1Cl ZINC001193575735 1051948351 /nfs/dbraw/zinc/94/83/51/1051948351.db2.gz UFUPDYUPGNNZBZ-INIZCTEOSA-N 1 1 347.890 4.160 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(Br)c2cccnc12)C(C)(C)C ZINC001176281719 1051974238 /nfs/dbraw/zinc/97/42/38/1051974238.db2.gz PFRVMKMWBOQMPN-UHFFFAOYSA-N 1 1 331.257 4.231 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC001193977470 1052037709 /nfs/dbraw/zinc/03/77/09/1052037709.db2.gz RMEKEKLRSHMPGE-UHFFFAOYSA-N 1 1 338.838 4.380 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCC12CCOCC2 ZINC001194270494 1052123660 /nfs/dbraw/zinc/12/36/60/1052123660.db2.gz XTSBQHFYDCTLAT-FQEVSTJZSA-N 1 1 345.531 4.439 20 30 EIEDMO C=CCn1cc(Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)cn1 ZINC001176550634 1052129719 /nfs/dbraw/zinc/12/97/19/1052129719.db2.gz RFRFFVQULQPWGA-HXUWFJFHSA-N 1 1 344.462 4.390 20 30 EIEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001176798001 1052195007 /nfs/dbraw/zinc/19/50/07/1052195007.db2.gz JHLAZQRXDBZNMX-AWEZNQCLSA-N 1 1 342.439 4.251 20 30 EIEDMO CC1CC[NH+](Cc2ccc(CNCc3csc(C#N)c3)cc2)CC1 ZINC000921504602 1052763433 /nfs/dbraw/zinc/76/34/33/1052763433.db2.gz VBFSCEMCZXEJMN-UHFFFAOYSA-N 1 1 339.508 4.141 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182946088 1052956849 /nfs/dbraw/zinc/95/68/49/1052956849.db2.gz SZFXDAONZNYZLB-SFHVURJKSA-N 1 1 333.378 4.007 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)ccc1OC ZINC000183705670 1052981014 /nfs/dbraw/zinc/98/10/14/1052981014.db2.gz XORFAEZRJDSOHI-INIZCTEOSA-N 1 1 326.440 4.238 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001194754685 1053092941 /nfs/dbraw/zinc/09/29/41/1053092941.db2.gz JHSLZUAUPPJJJY-UHFFFAOYSA-N 1 1 344.817 4.178 20 30 EIEDMO C[C@@H](C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755007 1053093176 /nfs/dbraw/zinc/09/31/76/1053093176.db2.gz MNLLPOLVSDXIGY-HOTGVXAUSA-N 1 1 342.870 4.198 20 30 EIEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001194754627 1053093866 /nfs/dbraw/zinc/09/38/66/1053093866.db2.gz HKQMZKKGOMIINB-KRWDZBQOSA-N 1 1 329.463 4.200 20 30 EIEDMO C=C(CC)C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001194816601 1053111632 /nfs/dbraw/zinc/11/16/32/1053111632.db2.gz AWDDSWJYJNJXIJ-HNNXBMFYSA-N 1 1 335.797 4.074 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000794665356 1053238724 /nfs/dbraw/zinc/23/87/24/1053238724.db2.gz XGNYCEBVAKYAST-WBMJQRKESA-N 1 1 343.389 4.292 20 30 EIEDMO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000764648262 1053252825 /nfs/dbraw/zinc/25/28/25/1053252825.db2.gz GKFXURNNBKAVFZ-UHFFFAOYSA-N 1 1 343.858 4.321 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000383089748 1053293874 /nfs/dbraw/zinc/29/38/74/1053293874.db2.gz QCYFRCYIXLEZIZ-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000383089748 1053293887 /nfs/dbraw/zinc/29/38/87/1053293887.db2.gz QCYFRCYIXLEZIZ-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000383089748 1053293918 /nfs/dbraw/zinc/29/39/18/1053293918.db2.gz QCYFRCYIXLEZIZ-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnc2c(cnn2C(C)C)c1 ZINC000173549809 1053359034 /nfs/dbraw/zinc/35/90/34/1053359034.db2.gz LIINODISLAEMHB-UHFFFAOYSA-N 1 1 327.476 4.164 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2c(cnn2C(C)C)c1 ZINC000173549809 1053359048 /nfs/dbraw/zinc/35/90/48/1053359048.db2.gz LIINODISLAEMHB-UHFFFAOYSA-N 1 1 327.476 4.164 20 30 EIEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290100 1053364932 /nfs/dbraw/zinc/36/49/32/1053364932.db2.gz SRJZIVLXWZTWGY-CZUORRHYSA-N 1 1 348.874 4.154 20 30 EIEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290100 1053364947 /nfs/dbraw/zinc/36/49/47/1053364947.db2.gz SRJZIVLXWZTWGY-CZUORRHYSA-N 1 1 348.874 4.154 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000775654796 1053402278 /nfs/dbraw/zinc/40/22/78/1053402278.db2.gz OZSFUZGLEQKZGX-OAQYLSRUSA-N 1 1 332.451 4.124 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC001195568829 1053436107 /nfs/dbraw/zinc/43/61/07/1053436107.db2.gz SDHJOTMYZSVJAW-GOSISDBHSA-N 1 1 348.446 4.153 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000794819764 1053436257 /nfs/dbraw/zinc/43/62/57/1053436257.db2.gz XQUZQTYYGSIFSV-HXUWFJFHSA-N 1 1 346.409 4.050 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001195569304 1053439662 /nfs/dbraw/zinc/43/96/62/1053439662.db2.gz WFXXFNRMBKNILW-QGZVFWFLSA-N 1 1 346.434 4.386 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001195569304 1053439671 /nfs/dbraw/zinc/43/96/71/1053439671.db2.gz WFXXFNRMBKNILW-QGZVFWFLSA-N 1 1 346.434 4.386 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC001196003528 1053551627 /nfs/dbraw/zinc/55/16/27/1053551627.db2.gz AGRGESCEQQCHJR-OAQYLSRUSA-N 1 1 348.446 4.207 20 30 EIEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047901 1053571971 /nfs/dbraw/zinc/57/19/71/1053571971.db2.gz HUYGPEDIRHSKQP-IEBWSBKVSA-N 1 1 348.531 4.147 20 30 EIEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000921525911 1053583852 /nfs/dbraw/zinc/58/38/52/1053583852.db2.gz BCZBREIRTIQCAF-OAHLLOKOSA-N 1 1 331.213 4.081 20 30 EIEDMO C[C@H](C#N)OCC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564108 1053589709 /nfs/dbraw/zinc/58/97/09/1053589709.db2.gz LLFWWQMLTXLILC-ACJLOTCBSA-N 1 1 346.883 4.278 20 30 EIEDMO C[C@H](C#N)OCC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564108 1053589714 /nfs/dbraw/zinc/58/97/14/1053589714.db2.gz LLFWWQMLTXLILC-ACJLOTCBSA-N 1 1 346.883 4.278 20 30 EIEDMO CCCCC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001196328682 1053640446 /nfs/dbraw/zinc/64/04/46/1053640446.db2.gz FZXAQXCCQCXPFQ-QGZVFWFLSA-N 1 1 328.456 4.280 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1O ZINC000866369172 1053707306 /nfs/dbraw/zinc/70/73/06/1053707306.db2.gz BGJUXDSXKHFVHZ-YMTOWFKASA-N 1 1 332.325 4.019 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cccc(C#N)c1O ZINC000866406182 1053718284 /nfs/dbraw/zinc/71/82/84/1053718284.db2.gz UQCNVHGLZKFYJL-SECBINFHSA-N 1 1 326.343 4.195 20 30 EIEDMO CCOCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196889518 1053791794 /nfs/dbraw/zinc/79/17/94/1053791794.db2.gz SZCVIBRRIQKQQT-OAQYLSRUSA-N 1 1 338.426 4.223 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(C(CC)CC)no2)cc1 ZINC000121155264 1053807615 /nfs/dbraw/zinc/80/76/15/1053807615.db2.gz KFFHCILURNJLKC-HNNXBMFYSA-N 1 1 326.440 4.441 20 30 EIEDMO CC[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(C#N)cc1 ZINC000866620599 1053808824 /nfs/dbraw/zinc/80/88/24/1053808824.db2.gz PYTAWMVDWYENQL-LBPRGKRZSA-N 1 1 336.258 4.018 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121803530 1053849648 /nfs/dbraw/zinc/84/96/48/1053849648.db2.gz ATMTXDCDIFNJMQ-MJGOQNOKSA-N 1 1 342.414 4.159 20 30 EIEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801939821 1053855282 /nfs/dbraw/zinc/85/52/82/1053855282.db2.gz WBKANRBKMDKKND-GFCCVEGCSA-N 1 1 325.239 4.011 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121955988 1053863132 /nfs/dbraw/zinc/86/31/32/1053863132.db2.gz ZNSDNWSCYQLILB-MOPGFXCFSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121955988 1053863138 /nfs/dbraw/zinc/86/31/38/1053863138.db2.gz ZNSDNWSCYQLILB-MOPGFXCFSA-N 1 1 342.414 4.159 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001197272457 1053866714 /nfs/dbraw/zinc/86/67/14/1053866714.db2.gz AGWFUIARNQUXLX-UNMCSNQZSA-N 1 1 344.543 4.322 20 30 EIEDMO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001197564570 1053939597 /nfs/dbraw/zinc/93/95/97/1053939597.db2.gz KLSPFXNSROZSBH-QGZVFWFLSA-N 1 1 344.505 4.309 20 30 EIEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001197564570 1053939612 /nfs/dbraw/zinc/93/96/12/1053939612.db2.gz KLSPFXNSROZSBH-QGZVFWFLSA-N 1 1 344.505 4.309 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(Cl)c1 ZINC001197921516 1054022780 /nfs/dbraw/zinc/02/27/80/1054022780.db2.gz VOLGKFDRLVRQGY-AWEZNQCLSA-N 1 1 331.872 4.123 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001198269596 1054120835 /nfs/dbraw/zinc/12/08/35/1054120835.db2.gz AVAGELUGTFATQB-QKWZMAAQSA-N 1 1 344.458 4.174 20 30 EIEDMO C=CCCCC[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837704 1054290731 /nfs/dbraw/zinc/29/07/31/1054290731.db2.gz PMBHOUFJYKGRQR-YLJYHZDGSA-N 1 1 336.520 4.360 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(O)ccc2F)c1 ZINC000872045054 1054359826 /nfs/dbraw/zinc/35/98/26/1054359826.db2.gz HWSGRTBNSSTYKZ-XJKSGUPXSA-N 1 1 328.387 4.063 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(O)c2F)c1 ZINC000872045621 1054359955 /nfs/dbraw/zinc/35/99/55/1054359955.db2.gz QAHNLASBFKMUMR-UKRRQHHQSA-N 1 1 328.387 4.063 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2cc(O)ccc2F)cc(OC)c1OC ZINC000872048055 1054361812 /nfs/dbraw/zinc/36/18/12/1054361812.db2.gz WYXDEXLNXGYVMZ-CYBMUJFWSA-N 1 1 345.414 4.128 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccc(C#N)c1O ZINC000872129549 1054403660 /nfs/dbraw/zinc/40/36/60/1054403660.db2.gz CINHVYZWCJFJQI-WDEREUQCSA-N 1 1 335.329 4.089 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051192 1054408971 /nfs/dbraw/zinc/40/89/71/1054408971.db2.gz JGZZFAZKPFVMLK-SFHVURJKSA-N 1 1 327.472 4.132 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000872182617 1054423300 /nfs/dbraw/zinc/42/33/00/1054423300.db2.gz XYZMGSZDTKYPJE-CQSZACIVSA-N 1 1 335.810 4.211 20 30 EIEDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000776153251 1054749082 /nfs/dbraw/zinc/74/90/82/1054749082.db2.gz AOYKRNJRINWSOQ-NQIIRXRSSA-N 1 1 343.515 4.140 20 30 EIEDMO N#Cc1ccc(F)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201477574 1054828647 /nfs/dbraw/zinc/82/86/47/1054828647.db2.gz IOXDXDJQTCERBW-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO Cc1cc(NCc2csc(C#N)c2)c[nH+]c1N1CCCC[C@H]1C ZINC001201618175 1054865328 /nfs/dbraw/zinc/86/53/28/1054865328.db2.gz NIZLHIQLDRXXMF-CQSZACIVSA-N 1 1 326.469 4.314 20 30 EIEDMO N#Cc1cc(C(F)(F)F)ccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001201683533 1054887339 /nfs/dbraw/zinc/88/73/39/1054887339.db2.gz SYTTWMBDAYBAIW-UHFFFAOYSA-N 1 1 331.219 4.156 20 30 EIEDMO CCCCCCC[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001201762379 1054899277 /nfs/dbraw/zinc/89/92/77/1054899277.db2.gz IFSMXYAAGYODOZ-UHFFFAOYSA-N 1 1 330.520 4.129 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 ZINC001201814165 1054912303 /nfs/dbraw/zinc/91/23/03/1054912303.db2.gz MOHLRYFBGKQKFH-GOSISDBHSA-N 1 1 335.536 4.352 20 30 EIEDMO CCCCCCCCC[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001201839023 1054931031 /nfs/dbraw/zinc/93/10/31/1054931031.db2.gz HZCDVQNDZCNFEY-UHFFFAOYSA-N 1 1 333.520 4.376 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(OC(F)F)cc1 ZINC000876914441 1054980947 /nfs/dbraw/zinc/98/09/47/1054980947.db2.gz ZFPPIOBZHQEYMG-JTQLQIEISA-N 1 1 337.757 4.059 20 30 EIEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876934672 1054987010 /nfs/dbraw/zinc/98/70/10/1054987010.db2.gz IFGPTMJDWUODMK-CYBMUJFWSA-N 1 1 329.831 4.245 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000119268831 1055145828 /nfs/dbraw/zinc/14/58/28/1055145828.db2.gz HHEFOAUFWSHSKQ-UHFFFAOYSA-N 1 1 346.478 4.320 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902890 1055147849 /nfs/dbraw/zinc/14/78/49/1055147849.db2.gz HVKCIQFAWDGFHB-DHIUTWEWSA-N 1 1 346.474 4.436 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000877973108 1055165599 /nfs/dbraw/zinc/16/55/99/1055165599.db2.gz MHMCJOUXRWQOSW-IERDGZPVSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000877973108 1055165601 /nfs/dbraw/zinc/16/56/01/1055165601.db2.gz MHMCJOUXRWQOSW-IERDGZPVSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2ccccc2[C@@H]1C)c1ccccc1 ZINC000878082814 1055183127 /nfs/dbraw/zinc/18/31/27/1055183127.db2.gz GIPIBDLYJAGGSR-JTSKRJEESA-N 1 1 332.447 4.046 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2cccc(F)c2F)cc(OC)c1OC ZINC000107713003 1055259107 /nfs/dbraw/zinc/25/91/07/1055259107.db2.gz ZDDJQJCNNHXONQ-UHFFFAOYSA-N 1 1 333.378 4.000 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2ccccc2OC)n1 ZINC000878386090 1055286718 /nfs/dbraw/zinc/28/67/18/1055286718.db2.gz NSOQDFJTEIPENX-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1coc(-c2ccccc2OC)n1 ZINC000878386090 1055286739 /nfs/dbraw/zinc/28/67/39/1055286739.db2.gz NSOQDFJTEIPENX-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404962 1055289822 /nfs/dbraw/zinc/28/98/22/1055289822.db2.gz ACGMCHWJZYDUPR-GGAORHGYSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404961 1055290443 /nfs/dbraw/zinc/29/04/43/1055290443.db2.gz ACGMCHWJZYDUPR-FYYLOGMGSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405589 1055294624 /nfs/dbraw/zinc/29/46/24/1055294624.db2.gz IHBRZFCKTOVZGA-GMAHTHKFSA-N 1 1 346.474 4.225 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000186265452 1055304809 /nfs/dbraw/zinc/30/48/09/1055304809.db2.gz JVJONCHXKOWTJB-SFHVURJKSA-N 1 1 331.419 4.388 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000878514408 1055327984 /nfs/dbraw/zinc/32/79/84/1055327984.db2.gz SKQBBMAKPKTCJP-QFIPXVFZSA-N 1 1 334.463 4.176 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520013 1055332398 /nfs/dbraw/zinc/33/23/98/1055332398.db2.gz FKRDUFXQSDCBMN-AUSIDOKSSA-N 1 1 348.490 4.299 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC001168615298 1055402938 /nfs/dbraw/zinc/40/29/38/1055402938.db2.gz XOCQDRKGEHNNSR-HXUWFJFHSA-N 1 1 328.419 4.285 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC001168615298 1055402947 /nfs/dbraw/zinc/40/29/47/1055402947.db2.gz XOCQDRKGEHNNSR-HXUWFJFHSA-N 1 1 328.419 4.285 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C#N)cc4)C3)nc2c1 ZINC000130811125 1055645648 /nfs/dbraw/zinc/64/56/48/1055645648.db2.gz DFHKCWGMBBUHAX-GOSISDBHSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000130811125 1055645683 /nfs/dbraw/zinc/64/56/83/1055645683.db2.gz DFHKCWGMBBUHAX-GOSISDBHSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000130811125 1055645716 /nfs/dbraw/zinc/64/57/16/1055645716.db2.gz DFHKCWGMBBUHAX-GOSISDBHSA-N 1 1 330.435 4.123 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384215 1055794867 /nfs/dbraw/zinc/79/48/67/1055794867.db2.gz DARIETOHRRCRTR-QUCCMNQESA-N 1 1 342.389 4.189 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384208 1055795665 /nfs/dbraw/zinc/79/56/65/1055795665.db2.gz DARIETOHRRCRTR-AZUAARDMSA-N 1 1 342.389 4.189 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420793 1055808228 /nfs/dbraw/zinc/80/82/28/1055808228.db2.gz JTZRCEDCZJRZTI-UYAOXDASSA-N 1 1 342.389 4.189 20 30 EIEDMO Cc1ccc(CNc2ccc(C#N)c(Cl)c2)c(N2CCCC2)[nH+]1 ZINC000302048785 1056010304 /nfs/dbraw/zinc/01/03/04/1056010304.db2.gz MJLFKVBZGMIWIZ-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041447 1056011069 /nfs/dbraw/zinc/01/10/69/1056011069.db2.gz LOKBSJAGQZBDRD-HKUYNNGSSA-N 1 1 348.494 4.197 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000302065242 1056013709 /nfs/dbraw/zinc/01/37/09/1056013709.db2.gz VUMMPMTUQWWLOF-UHFFFAOYSA-N 1 1 335.451 4.213 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000302085575 1056015295 /nfs/dbraw/zinc/01/52/95/1056015295.db2.gz DVUHPMWHLFOFBG-JXFKEZNVSA-N 1 1 347.462 4.226 20 30 EIEDMO C=CCC1(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CCC1 ZINC000338720399 1056539145 /nfs/dbraw/zinc/53/91/45/1056539145.db2.gz LRROUNJRGWCLTH-UHFFFAOYSA-N 1 1 333.501 4.204 20 30 EIEDMO CC(C)[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000074354034 1056684420 /nfs/dbraw/zinc/68/44/20/1056684420.db2.gz MNVJWCOLFOEJHI-UHFFFAOYSA-N 1 1 346.434 4.061 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccccc1C#N ZINC000111039170 1056735956 /nfs/dbraw/zinc/73/59/56/1056735956.db2.gz QFTJZGUQYLTWCS-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO CCCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000742381860 1058582585 /nfs/dbraw/zinc/58/25/85/1058582585.db2.gz ONJXMYWARPCLCD-UHFFFAOYSA-N 1 1 342.414 4.175 20 30 EIEDMO CCOc1c(Cl)cc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000742381778 1058584275 /nfs/dbraw/zinc/58/42/75/1058584275.db2.gz JEKHUFLBUVCSOY-UHFFFAOYSA-N 1 1 348.805 4.048 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000743379354 1058988199 /nfs/dbraw/zinc/98/81/99/1058988199.db2.gz NNVXELRBFHTCRK-GOEBONIOSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000743379354 1058988223 /nfs/dbraw/zinc/98/82/23/1058988223.db2.gz NNVXELRBFHTCRK-GOEBONIOSA-N 1 1 334.533 4.336 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743843324 1059175581 /nfs/dbraw/zinc/17/55/81/1059175581.db2.gz VWDVUKBZDRDRNY-FQEVSTJZSA-N 1 1 342.870 4.403 20 30 EIEDMO CCC[N@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746034511 1059976174 /nfs/dbraw/zinc/97/61/74/1059976174.db2.gz SUYXKOUNZGPGLC-UHFFFAOYSA-N 1 1 348.425 4.431 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000746156533 1060051455 /nfs/dbraw/zinc/05/14/55/1060051455.db2.gz LKSLURTTZMJNDN-QHCPKHFHSA-N 1 1 342.442 4.294 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cn3ccccc3n2)cc1 ZINC001169009580 1060576512 /nfs/dbraw/zinc/57/65/12/1060576512.db2.gz RNFCXBOPLQHHDO-NRFANRHFSA-N 1 1 346.478 4.312 20 30 EIEDMO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001169693550 1060902699 /nfs/dbraw/zinc/90/26/99/1060902699.db2.gz WURSPWYRCVBLAB-OEBVFIGYSA-N 1 1 347.466 4.020 20 30 EIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845102 1060996656 /nfs/dbraw/zinc/99/66/56/1060996656.db2.gz RWHYHFNCZWYNQD-QGZVFWFLSA-N 1 1 332.513 4.414 20 30 EIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845100 1060998450 /nfs/dbraw/zinc/99/84/50/1060998450.db2.gz RWHYHFNCZWYNQD-KRWDZBQOSA-N 1 1 332.513 4.414 20 30 EIEDMO C[C@H](CC#N)[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000103460843 1061033419 /nfs/dbraw/zinc/03/34/19/1061033419.db2.gz LZZCFFGRXMPBCS-LLVKDONJSA-N 1 1 333.229 4.042 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001169953829 1061050590 /nfs/dbraw/zinc/05/05/90/1061050590.db2.gz WACBAKCRTCQVDL-FQEVSTJZSA-N 1 1 342.483 4.218 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001169953938 1061052276 /nfs/dbraw/zinc/05/22/76/1061052276.db2.gz ZXQZBDPVOIOKOG-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000067668338 524235178 /nfs/dbraw/zinc/23/51/78/524235178.db2.gz PCTVJXDVGGCXGM-GOSISDBHSA-N 1 1 333.479 4.080 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000067668338 524235190 /nfs/dbraw/zinc/23/51/90/524235190.db2.gz PCTVJXDVGGCXGM-GOSISDBHSA-N 1 1 333.479 4.080 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000237604376 1032234786 /nfs/dbraw/zinc/23/47/86/1032234786.db2.gz HEXAHNWQOGRASC-IERDGZPVSA-N 1 1 332.403 4.450 20 30 EIEDMO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000360078880 1032240330 /nfs/dbraw/zinc/24/03/30/1032240330.db2.gz YRTBNDIEOUPQNG-RHSMWYFYSA-N 1 1 341.480 4.122 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245512989 1032281303 /nfs/dbraw/zinc/28/13/03/1032281303.db2.gz BRMMMZCRZVFCNB-HZPDHXFCSA-N 1 1 341.282 4.213 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000171946166 1032284874 /nfs/dbraw/zinc/28/48/74/1032284874.db2.gz CNYFLUJULDLTIC-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000171946166 1032284885 /nfs/dbraw/zinc/28/48/85/1032284885.db2.gz CNYFLUJULDLTIC-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000532779842 1032307235 /nfs/dbraw/zinc/30/72/35/1032307235.db2.gz MANBWUDZYHVSSN-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000532779842 1032307248 /nfs/dbraw/zinc/30/72/48/1032307248.db2.gz MANBWUDZYHVSSN-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)C[C@@H](C)C#N ZINC000120485305 1032329430 /nfs/dbraw/zinc/32/94/30/1032329430.db2.gz SPGKIYMKZBTDGI-AWEZNQCLSA-N 1 1 329.469 4.012 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)C[C@@H](C)C#N ZINC000120485305 1032329436 /nfs/dbraw/zinc/32/94/36/1032329436.db2.gz SPGKIYMKZBTDGI-AWEZNQCLSA-N 1 1 329.469 4.012 20 30 EIEDMO C[C@@H](C#N)C[N@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000532819199 1032340053 /nfs/dbraw/zinc/34/00/53/1032340053.db2.gz XUDNWYQNWPKBAR-ZDUSSCGKSA-N 1 1 326.362 4.098 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000532819199 1032340066 /nfs/dbraw/zinc/34/00/66/1032340066.db2.gz XUDNWYQNWPKBAR-ZDUSSCGKSA-N 1 1 326.362 4.098 20 30 EIEDMO Cc1ccc[nH+]c1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000532870305 1032366878 /nfs/dbraw/zinc/36/68/78/1032366878.db2.gz CWDHJXCWQDUKRO-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO CCc1cc(CCC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)on1 ZINC000450311781 1032412552 /nfs/dbraw/zinc/41/25/52/1032412552.db2.gz JOBSWEYZJUHYTI-UHFFFAOYSA-N 1 1 325.456 4.199 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000245723097 1032425360 /nfs/dbraw/zinc/42/53/60/1032425360.db2.gz IHOFXZXLVZQORF-ZRGWGRIASA-N 1 1 342.464 4.001 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000245723097 1032425366 /nfs/dbraw/zinc/42/53/66/1032425366.db2.gz IHOFXZXLVZQORF-ZRGWGRIASA-N 1 1 342.464 4.001 20 30 EIEDMO C=CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000533050611 1032459937 /nfs/dbraw/zinc/45/99/37/1032459937.db2.gz TZXAJNYDKTWLPL-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO C=CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000533050611 1032459939 /nfs/dbraw/zinc/45/99/39/1032459939.db2.gz TZXAJNYDKTWLPL-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO COCc1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641091 1032500464 /nfs/dbraw/zinc/50/04/64/1032500464.db2.gz BJPRYNFSXBXCIW-PKOBYXMFSA-N 1 1 349.478 4.027 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410389 1032706353 /nfs/dbraw/zinc/70/63/53/1032706353.db2.gz RUVBSYKFTPSBSS-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410389 1032706360 /nfs/dbraw/zinc/70/63/60/1032706360.db2.gz RUVBSYKFTPSBSS-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000026328965 1032708503 /nfs/dbraw/zinc/70/85/03/1032708503.db2.gz RPRLGBLNOHREPS-UHFFFAOYSA-N 1 1 343.430 4.172 20 30 EIEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000533424265 1032749002 /nfs/dbraw/zinc/74/90/02/1032749002.db2.gz MRYRBSUPLRFOGW-NSHDSACASA-N 1 1 327.255 4.218 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429577268 1032788229 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EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179620754 1019787028 /nfs/dbraw/zinc/78/70/28/1019787028.db2.gz TUTXYBNCNJVRQZ-HNNXBMFYSA-N 1 1 326.362 4.143 20 30 EIEDMO Cn1cc(C[N@@H+](CCCC(C)(C)C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430273618 1019885377 /nfs/dbraw/zinc/88/53/77/1019885377.db2.gz OBYKXPMZRXVINX-UHFFFAOYSA-N 1 1 344.890 4.406 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209438609 1020336041 /nfs/dbraw/zinc/33/60/41/1020336041.db2.gz PDZMIRYHYAAXQB-GJZGRUSLSA-N 1 1 325.390 4.240 20 30 EIEDMO C=CCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001209442136 1020351739 /nfs/dbraw/zinc/35/17/39/1020351739.db2.gz UJCFUFAZRRQSNE-FQEVSTJZSA-N 1 1 345.531 4.268 20 30 EIEDMO C=CCCCCCCCC[N@@H+]1CCc2c(c(COCC=C)nn2C)C1 ZINC001209444322 1020354317 /nfs/dbraw/zinc/35/43/17/1020354317.db2.gz PITCEOZCDBXJAH-UHFFFAOYSA-N 1 1 345.531 4.398 20 30 EIEDMO C#CC[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCc2ccccc21 ZINC001167178767 1020486406 /nfs/dbraw/zinc/48/64/06/1020486406.db2.gz KJFWRCQXNQPHEF-CGTJXYLNSA-N 1 1 337.385 4.109 20 30 EIEDMO C#CC[N@H+](C[C@H](C)COCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167178901 1020486444 /nfs/dbraw/zinc/48/64/44/1020486444.db2.gz OQRCHKJRTAYKEX-CVDCTZTESA-N 1 1 333.475 4.462 20 30 EIEDMO C#CC[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC001167179284 1020488542 /nfs/dbraw/zinc/48/85/42/1020488542.db2.gz YCUITRPELLUEQA-OAQYLSRUSA-N 1 1 328.415 4.063 20 30 EIEDMO COCC[N@H+](Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1Cl ZINC001167227330 1020603403 /nfs/dbraw/zinc/60/34/03/1020603403.db2.gz LJZSZJHTFMJCPC-UHFFFAOYSA-N 1 1 342.870 4.477 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1Cl ZINC001167227330 1020603411 /nfs/dbraw/zinc/60/34/11/1020603411.db2.gz LJZSZJHTFMJCPC-UHFFFAOYSA-N 1 1 342.870 4.477 20 30 EIEDMO C=CC[N@H+](Cc1nc2ccccc2n1-c1ccc(OC)cc1)C(C)C ZINC001167227120 1020603594 /nfs/dbraw/zinc/60/35/94/1020603594.db2.gz HCNWAMIJNYZXPW-UHFFFAOYSA-N 1 1 335.451 4.431 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001167251125 1020671828 /nfs/dbraw/zinc/67/18/28/1020671828.db2.gz ARRFWATWNCEOSI-YADHBBJMSA-N 1 1 332.447 4.467 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC001167255829 1020684556 /nfs/dbraw/zinc/68/45/56/1020684556.db2.gz OJRZWNFHBBXCGA-FQEVSTJZSA-N 1 1 336.435 4.318 20 30 EIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527797 1020691473 /nfs/dbraw/zinc/69/14/73/1020691473.db2.gz ABLUOUVCLKDVII-IRLDBZIGSA-N 1 1 349.478 4.031 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc([Si](C)(C)C)cc1 ZINC001167273870 1020750274 /nfs/dbraw/zinc/75/02/74/1020750274.db2.gz SBCRIUJEOVIBJJ-UHFFFAOYSA-N 1 1 325.503 4.006 20 30 EIEDMO CC(C)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001167298285 1020954582 /nfs/dbraw/zinc/95/45/82/1020954582.db2.gz KGGRPTYGMDOAPJ-INIZCTEOSA-N 1 1 325.374 4.447 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001167309888 1021019804 /nfs/dbraw/zinc/01/98/04/1021019804.db2.gz JYJUPICQRCQLNK-FQEVSTJZSA-N 1 1 336.435 4.173 20 30 EIEDMO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964368 1021048561 /nfs/dbraw/zinc/04/85/61/1021048561.db2.gz POBZZPASVJMKCV-CVEARBPZSA-N 1 1 339.508 4.496 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000512511920 1032956478 /nfs/dbraw/zinc/95/64/78/1032956478.db2.gz NMZZADOLZUIUBQ-UHFFFAOYSA-N 1 1 332.787 4.103 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001266555712 1021366418 /nfs/dbraw/zinc/36/64/18/1021366418.db2.gz RKNCSYGFMKJRDV-XUVXKRRUSA-N 1 1 340.511 4.006 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000180031300 1021374577 /nfs/dbraw/zinc/37/45/77/1021374577.db2.gz DKIQVLHERZZYFX-UHFFFAOYSA-N 1 1 328.419 4.113 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000180031300 1021374598 /nfs/dbraw/zinc/37/45/98/1021374598.db2.gz DKIQVLHERZZYFX-UHFFFAOYSA-N 1 1 328.419 4.113 20 30 EIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000610371933 1021558741 /nfs/dbraw/zinc/55/87/41/1021558741.db2.gz HFIFBPBYWBPFSE-CQSZACIVSA-N 1 1 327.209 4.004 20 30 EIEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379670623 1021868325 /nfs/dbraw/zinc/86/83/25/1021868325.db2.gz JFBAKANMQLRWIK-MJGOQNOKSA-N 1 1 334.467 4.035 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167391536 1021954025 /nfs/dbraw/zinc/95/40/25/1021954025.db2.gz KBYRMVIJZYWNHX-HXUWFJFHSA-N 1 1 344.474 4.389 20 30 EIEDMO CCc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414175436 1022037603 /nfs/dbraw/zinc/03/76/03/1022037603.db2.gz ZDZFOAXCLNIUKM-SFHVURJKSA-N 1 1 341.411 4.369 20 30 EIEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311542942 1022422963 /nfs/dbraw/zinc/42/29/63/1022422963.db2.gz UGHUHPDQPMUSLI-SFHVURJKSA-N 1 1 342.446 4.040 20 30 EIEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000580831374 1022583559 /nfs/dbraw/zinc/58/35/59/1022583559.db2.gz QALXOZRAXRWVHK-HXUWFJFHSA-N 1 1 344.474 4.323 20 30 EIEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000363879059 1022882625 /nfs/dbraw/zinc/88/26/25/1022882625.db2.gz LZNCIMYGERDNIR-PKOBYXMFSA-N 1 1 330.859 4.083 20 30 EIEDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(OCC#N)cc1 ZINC000175992575 1022920326 /nfs/dbraw/zinc/92/03/26/1022920326.db2.gz WMUAHAPRWGIIOC-HNNXBMFYSA-N 1 1 333.391 4.095 20 30 EIEDMO C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000376544956 1022955733 /nfs/dbraw/zinc/95/57/33/1022955733.db2.gz GGEYCPZSOOJZRT-YOEHRIQHSA-N 1 1 335.373 4.112 20 30 EIEDMO C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000376544956 1022955735 /nfs/dbraw/zinc/95/57/35/1022955735.db2.gz GGEYCPZSOOJZRT-YOEHRIQHSA-N 1 1 335.373 4.112 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000589209866 1023099119 /nfs/dbraw/zinc/09/91/19/1023099119.db2.gz UZBWAUOCOQMNGN-IBGZPJMESA-N 1 1 334.467 4.086 20 30 EIEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(N(C)CCC#N)cc1 ZINC000186266256 1023112477 /nfs/dbraw/zinc/11/24/77/1023112477.db2.gz LWLQQGPIWCPRNP-UHFFFAOYSA-N 1 1 336.483 4.331 20 30 EIEDMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCCC#N)CC2 ZINC000071805551 1023210102 /nfs/dbraw/zinc/21/01/02/1023210102.db2.gz ZQYZPURJADVTHO-LJQANCHMSA-N 1 1 342.464 4.017 20 30 EIEDMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCCC#N)CC2 ZINC000071805551 1023210114 /nfs/dbraw/zinc/21/01/14/1023210114.db2.gz ZQYZPURJADVTHO-LJQANCHMSA-N 1 1 342.464 4.017 20 30 EIEDMO N#CC1(CCC[N@H+]2CCC[C@H](c3ccccc3)CC2)CCOCC1 ZINC000376624986 1023250741 /nfs/dbraw/zinc/25/07/41/1023250741.db2.gz BIBGLUKWRNBIMY-FQEVSTJZSA-N 1 1 326.484 4.357 20 30 EIEDMO C#CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCCCC1 ZINC000728688024 1023387797 /nfs/dbraw/zinc/38/77/97/1023387797.db2.gz AIIIFQQECCMTES-UHFFFAOYSA-N 1 1 330.378 4.388 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCCCn1cc[nH+]c1C ZINC000276370924 1023390714 /nfs/dbraw/zinc/39/07/14/1023390714.db2.gz CZZHZGBMFDGLAC-UHFFFAOYSA-N 1 1 340.471 4.255 20 30 EIEDMO N#CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CCC1 ZINC000418140268 1023559570 /nfs/dbraw/zinc/55/95/70/1023559570.db2.gz JAKADBYAHYSCOZ-UHFFFAOYSA-N 1 1 348.475 4.384 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001143542523 1033144318 /nfs/dbraw/zinc/14/43/18/1033144318.db2.gz DRPMVMCPPXRVLF-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001143542523 1033144337 /nfs/dbraw/zinc/14/43/37/1033144337.db2.gz DRPMVMCPPXRVLF-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000610543042 1023771352 /nfs/dbraw/zinc/77/13/52/1023771352.db2.gz XXFSUYJOGQIJTK-MJEQTWJJSA-N 1 1 345.512 4.076 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000610543044 1023772236 /nfs/dbraw/zinc/77/22/36/1023772236.db2.gz XXFSUYJOGQIJTK-XGWLTEMNSA-N 1 1 345.512 4.076 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000111250781 1023856812 /nfs/dbraw/zinc/85/68/12/1023856812.db2.gz ZHVVWGCGLQBKPM-UHFFFAOYSA-N 1 1 339.842 4.069 20 30 EIEDMO O[C@H](C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1cccs1 ZINC000749523274 1023924928 /nfs/dbraw/zinc/92/49/28/1023924928.db2.gz SQAXVTRDSFRLDT-SJLPKXTDSA-N 1 1 345.895 4.341 20 30 EIEDMO O[C@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1cccs1 ZINC000749523274 1023924934 /nfs/dbraw/zinc/92/49/34/1023924934.db2.gz SQAXVTRDSFRLDT-SJLPKXTDSA-N 1 1 345.895 4.341 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000661378819 1024082364 /nfs/dbraw/zinc/08/23/64/1024082364.db2.gz MVALAJMVQMPFQA-GOSISDBHSA-N 1 1 326.484 4.101 20 30 EIEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685416 1024231123 /nfs/dbraw/zinc/23/11/23/1024231123.db2.gz SSIMLWRAOZMDAB-FCHUYYIVSA-N 1 1 334.463 4.351 20 30 EIEDMO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181762579 1024254591 /nfs/dbraw/zinc/25/45/91/1024254591.db2.gz BOGVICOLLYVZKM-ZWKOTPCHSA-N 1 1 333.479 4.434 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000661153037 1024279196 /nfs/dbraw/zinc/27/91/96/1024279196.db2.gz HJEMRWFBXZENNJ-AWEZNQCLSA-N 1 1 349.272 4.038 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c(F)c1 ZINC000341681637 1024306226 /nfs/dbraw/zinc/30/62/26/1024306226.db2.gz HDWHNEUTBLNUGN-KRWDZBQOSA-N 1 1 330.790 4.354 20 30 EIEDMO Cc1noc2ncc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)cc12 ZINC000893959809 1033201671 /nfs/dbraw/zinc/20/16/71/1033201671.db2.gz WRIZSEJZYYWYEN-UHFFFAOYSA-N 1 1 334.423 4.061 20 30 EIEDMO CCn1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000473139351 1024385747 /nfs/dbraw/zinc/38/57/47/1024385747.db2.gz JBTMHEHAGOYHPW-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO CCn1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000473139351 1024385764 /nfs/dbraw/zinc/38/57/64/1024385764.db2.gz JBTMHEHAGOYHPW-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000127385368 1024399541 /nfs/dbraw/zinc/39/95/41/1024399541.db2.gz IKYWPKBTLXSTMS-UHFFFAOYSA-N 1 1 344.842 4.251 20 30 EIEDMO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1cccc(C)c1 ZINC000432239491 1024706201 /nfs/dbraw/zinc/70/62/01/1024706201.db2.gz DJCJHYXZUURUSV-KRWDZBQOSA-N 1 1 342.512 4.016 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ncccc1C(F)(F)F ZINC000092217478 1024716247 /nfs/dbraw/zinc/71/62/47/1024716247.db2.gz BCTYLQRAGZOLEV-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ncccc1C(F)(F)F ZINC000092217478 1024716264 /nfs/dbraw/zinc/71/62/64/1024716264.db2.gz BCTYLQRAGZOLEV-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610728642 1024771637 /nfs/dbraw/zinc/77/16/37/1024771637.db2.gz FAGMBFRABWCNNU-WIYYLYMNSA-N 1 1 338.426 4.297 20 30 EIEDMO CC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000343885850 1024796026 /nfs/dbraw/zinc/79/60/26/1024796026.db2.gz PTMKPNKOJPYEDL-KRWDZBQOSA-N 1 1 337.467 4.250 20 30 EIEDMO N#CC1(F)CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000510936748 1024852255 /nfs/dbraw/zinc/85/22/55/1024852255.db2.gz NFBNDDBDVLOHSX-UHFFFAOYSA-N 1 1 338.426 4.120 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000548491943 1024887474 /nfs/dbraw/zinc/88/74/74/1024887474.db2.gz GYXFBDFGSZEMAD-MRXNPFEDSA-N 1 1 338.785 4.429 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000093888796 1024915219 /nfs/dbraw/zinc/91/52/19/1024915219.db2.gz GJELZNYDGVCULC-UPCLLVRISA-N 1 1 343.492 4.182 20 30 EIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)cc1 ZINC000610991629 1025215011 /nfs/dbraw/zinc/21/50/11/1025215011.db2.gz UQHMYVADIQZTGW-HXUWFJFHSA-N 1 1 336.435 4.303 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1Br ZINC000181912494 1025338123 /nfs/dbraw/zinc/33/81/23/1025338123.db2.gz NZQNSQHDYLLREU-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO CC(C)C[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000538307733 1025372002 /nfs/dbraw/zinc/37/20/02/1025372002.db2.gz HYEBXPANNRDXBE-UHFFFAOYSA-N 1 1 338.499 4.247 20 30 EIEDMO C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000538591204 1025470788 /nfs/dbraw/zinc/47/07/88/1025470788.db2.gz JHKYKBXCVYCYOL-KSZLIROESA-N 1 1 349.478 4.341 20 30 EIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000054011322 1025677655 /nfs/dbraw/zinc/67/76/55/1025677655.db2.gz QOHCZFOGQTWOTM-UHFFFAOYSA-N 1 1 344.418 4.179 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719521 1025803279 /nfs/dbraw/zinc/80/32/79/1025803279.db2.gz YQCDSSSWCLRCKS-KBXCAEBGSA-N 1 1 345.899 4.345 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187721222 1025843749 /nfs/dbraw/zinc/84/37/49/1025843749.db2.gz GKOXGXKDCULORC-BBRMVZONSA-N 1 1 348.372 4.172 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OCC)c1 ZINC000512053024 1025850456 /nfs/dbraw/zinc/85/04/56/1025850456.db2.gz OFKDHBYQGNISIJ-UHFFFAOYSA-N 1 1 336.435 4.154 20 30 EIEDMO C[N@@H+](CCOc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000215889263 1025861788 /nfs/dbraw/zinc/86/17/88/1025861788.db2.gz WYHBWPSKBXRVGX-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(SC)c(OC)c1 ZINC000512060647 1025862258 /nfs/dbraw/zinc/86/22/58/1025862258.db2.gz WDLALIFVNKXYAP-UHFFFAOYSA-N 1 1 338.476 4.477 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533991 1025984253 /nfs/dbraw/zinc/98/42/53/1025984253.db2.gz PKYOEVQEMKTHNF-RTBURBONSA-N 1 1 330.447 4.257 20 30 EIEDMO C=CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278870 1026149711 /nfs/dbraw/zinc/14/97/11/1026149711.db2.gz OSXAHXOIAIEBSS-UHFFFAOYSA-N 1 1 325.387 4.014 20 30 EIEDMO C=CCC(CC=C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000467820294 1026188490 /nfs/dbraw/zinc/18/84/90/1026188490.db2.gz XJQUPHQWSZDTTM-GOSISDBHSA-N 1 1 340.511 4.446 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000344279255 1026209532 /nfs/dbraw/zinc/20/95/32/1026209532.db2.gz DHMLDHFEWARLSS-ZIAGYGMSSA-N 1 1 334.448 4.489 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000344305404 1026233740 /nfs/dbraw/zinc/23/37/40/1026233740.db2.gz XMNNVWUYBAEPRZ-UONOGXRCSA-N 1 1 334.448 4.489 20 30 EIEDMO C=C(C)C[N@@H+](CCSc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512182613 1026271915 /nfs/dbraw/zinc/27/19/15/1026271915.db2.gz FEASWDZCDOJABJ-UHFFFAOYSA-N 1 1 335.444 4.081 20 30 EIEDMO CC[C@@H](C)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000120421966 1026306838 /nfs/dbraw/zinc/30/68/38/1026306838.db2.gz HKOSMWXIVUIJMD-CQSZACIVSA-N 1 1 339.439 4.007 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224426 1026353622 /nfs/dbraw/zinc/35/36/22/1026353622.db2.gz DMNMXCMEYHBCFF-RDJZCZTQSA-N 1 1 330.453 4.081 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC001167558170 1026373682 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C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000512200234 1026435248 /nfs/dbraw/zinc/43/52/48/1026435248.db2.gz YSDFEUDQPHIEOE-UHFFFAOYSA-N 1 1 339.357 4.369 20 30 EIEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204186 1026459496 /nfs/dbraw/zinc/45/94/96/1026459496.db2.gz SNTZSBJSXRCDNS-UTKZUKDTSA-N 1 1 347.462 4.360 20 30 EIEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506934256 1026541496 /nfs/dbraw/zinc/54/14/96/1026541496.db2.gz VURDOGIDRMFZSC-UHFFFAOYSA-N 1 1 341.252 4.490 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000426768116 1026561438 /nfs/dbraw/zinc/56/14/38/1026561438.db2.gz VDURYLRYRPFTTN-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1C ZINC000511121497 1026622750 /nfs/dbraw/zinc/62/27/50/1026622750.db2.gz GPJSIGIKCBPLPG-FQEVSTJZSA-N 1 1 330.435 4.160 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187757786 1026662713 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C=CC[C@H]1[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774575 1028059039 /nfs/dbraw/zinc/05/90/39/1028059039.db2.gz JQPFKBMAYMJRQU-HZPDHXFCSA-N 1 1 335.492 4.370 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774575 1028059058 /nfs/dbraw/zinc/05/90/58/1028059058.db2.gz JQPFKBMAYMJRQU-HZPDHXFCSA-N 1 1 335.492 4.370 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444787991 1028077937 /nfs/dbraw/zinc/07/79/37/1028077937.db2.gz ZKNQMMCFSSVYCR-INIZCTEOSA-N 1 1 342.405 4.003 20 30 EIEDMO CC1(C)CCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000329882396 1028148899 /nfs/dbraw/zinc/14/88/99/1028148899.db2.gz PWPYMXPLEMBQRW-ZDUSSCGKSA-N 1 1 334.370 4.088 20 30 EIEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000523556599 1028211040 /nfs/dbraw/zinc/21/10/40/1028211040.db2.gz DBPIYCAGFNEBTR-IBGZPJMESA-N 1 1 341.499 4.205 20 30 EIEDMO CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330274286 1028246306 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/nfs/dbraw/zinc/61/40/09/1035614009.db2.gz BKFREJNFRVHFMZ-GOSISDBHSA-N 1 1 336.826 4.341 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000595355591 1035668841 /nfs/dbraw/zinc/66/88/41/1035668841.db2.gz CSJMHOKRXIHWMV-GOSISDBHSA-N 1 1 331.419 4.122 20 30 EIEDMO CC[N@@H+](CCC1CCN([C@@H](C#N)c2ccccc2)CC1)CC1CC1 ZINC000595409815 1035672988 /nfs/dbraw/zinc/67/29/88/1035672988.db2.gz IUQJSIHJQVGPAW-NRFANRHFSA-N 1 1 325.500 4.085 20 30 EIEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617432 1035736656 /nfs/dbraw/zinc/73/66/56/1035736656.db2.gz ZTPAOEDRJCXUPE-CHWSQXEVSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617432 1035736675 /nfs/dbraw/zinc/73/66/75/1035736675.db2.gz ZTPAOEDRJCXUPE-CHWSQXEVSA-N 1 1 330.819 4.077 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610977 1035749622 /nfs/dbraw/zinc/74/96/22/1035749622.db2.gz FHXBOAGSFNCSSQ-SJORKVTESA-N 1 1 327.472 4.071 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610977 1035749647 /nfs/dbraw/zinc/74/96/47/1035749647.db2.gz FHXBOAGSFNCSSQ-SJORKVTESA-N 1 1 327.472 4.071 20 30 EIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595611635 1035749699 /nfs/dbraw/zinc/74/96/99/1035749699.db2.gz MHIYEXPZEXESSC-RXVVDRJESA-N 1 1 347.462 4.301 20 30 EIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595611635 1035749713 /nfs/dbraw/zinc/74/97/13/1035749713.db2.gz MHIYEXPZEXESSC-RXVVDRJESA-N 1 1 347.462 4.301 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1F ZINC000595753715 1035785434 /nfs/dbraw/zinc/78/54/34/1035785434.db2.gz SQZCBSXFSNOSDA-GOSISDBHSA-N 1 1 346.446 4.072 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491073756 1035785206 /nfs/dbraw/zinc/78/52/06/1035785206.db2.gz AOTXWUAZAAQFHI-UHFFFAOYSA-N 1 1 327.359 4.018 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491073756 1035785210 /nfs/dbraw/zinc/78/52/10/1035785210.db2.gz AOTXWUAZAAQFHI-UHFFFAOYSA-N 1 1 327.359 4.018 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000513728711 1035802305 /nfs/dbraw/zinc/80/23/05/1035802305.db2.gz JVKKZKDUCKHUQU-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000513728711 1035802307 /nfs/dbraw/zinc/80/23/07/1035802307.db2.gz JVKKZKDUCKHUQU-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO C[C@H](C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000491182560 1035816072 /nfs/dbraw/zinc/81/60/72/1035816072.db2.gz LQTMOAVRYUHVFD-QGZVFWFLSA-N 1 1 344.462 4.194 20 30 EIEDMO CCC1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491185056 1035822617 /nfs/dbraw/zinc/82/26/17/1035822617.db2.gz YSZHNLWRSMIRLS-UHFFFAOYSA-N 1 1 336.483 4.359 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1Cl ZINC000586794255 1035849548 /nfs/dbraw/zinc/84/95/48/1035849548.db2.gz CJSVPVFALKNGFB-KRWDZBQOSA-N 1 1 328.847 4.346 20 30 EIEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000420920480 1035875047 /nfs/dbraw/zinc/87/50/47/1035875047.db2.gz BDZBAUORFLZVLP-HXUWFJFHSA-N 1 1 344.474 4.323 20 30 EIEDMO C=CCSc1ccccc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000485471311 1035921981 /nfs/dbraw/zinc/92/19/81/1035921981.db2.gz YTFLBUJQTQGFGD-CALCHBBNSA-N 1 1 346.540 4.063 20 30 EIEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000470956031 1036096601 /nfs/dbraw/zinc/09/66/01/1036096601.db2.gz QTZVWUIDMKPAKG-RISCZKNCSA-N 1 1 335.291 4.330 20 30 EIEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000470956031 1036096621 /nfs/dbraw/zinc/09/66/21/1036096621.db2.gz QTZVWUIDMKPAKG-RISCZKNCSA-N 1 1 335.291 4.330 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597172545 1036125990 /nfs/dbraw/zinc/12/59/90/1036125990.db2.gz CLFYQESHVUKNRG-SFHVURJKSA-N 1 1 345.446 4.263 20 30 EIEDMO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000060468822 1036135400 /nfs/dbraw/zinc/13/54/00/1036135400.db2.gz PGEZWRUTMWDJMH-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000060468822 1036135418 /nfs/dbraw/zinc/13/54/18/1036135418.db2.gz PGEZWRUTMWDJMH-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)cc2)CC1 ZINC000597162755 1036136121 /nfs/dbraw/zinc/13/61/21/1036136121.db2.gz YLMVJIBJCMXJDQ-HXUWFJFHSA-N 1 1 336.479 4.023 20 30 EIEDMO Cc1cc([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)c(O)cc1Cl ZINC000597224090 1036169502 /nfs/dbraw/zinc/16/95/02/1036169502.db2.gz XHFOCYSPKJTFGJ-CYBMUJFWSA-N 1 1 332.856 4.277 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000502444552 1036214857 /nfs/dbraw/zinc/21/48/57/1036214857.db2.gz IMHJACZFFPSEIK-AWEZNQCLSA-N 1 1 346.833 4.494 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000502444552 1036214876 /nfs/dbraw/zinc/21/48/76/1036214876.db2.gz IMHJACZFFPSEIK-AWEZNQCLSA-N 1 1 346.833 4.494 20 30 EIEDMO N#CCCCCCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601725618 1036228311 /nfs/dbraw/zinc/22/83/11/1036228311.db2.gz AUUXLMBRNUOTJC-FQEVSTJZSA-N 1 1 341.499 4.021 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000502465112 1036244435 /nfs/dbraw/zinc/24/44/35/1036244435.db2.gz BVDZNGPSGCDLIT-KRWDZBQOSA-N 1 1 338.451 4.101 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000502465112 1036244452 /nfs/dbraw/zinc/24/44/52/1036244452.db2.gz BVDZNGPSGCDLIT-KRWDZBQOSA-N 1 1 338.451 4.101 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000588216189 1036302295 /nfs/dbraw/zinc/30/22/95/1036302295.db2.gz QVJDLNLYSIBZQB-UHFFFAOYSA-N 1 1 344.409 4.062 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000588216189 1036302302 /nfs/dbraw/zinc/30/23/02/1036302302.db2.gz QVJDLNLYSIBZQB-UHFFFAOYSA-N 1 1 344.409 4.062 20 30 EIEDMO CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](C)CCC#N ZINC000602433570 1036447084 /nfs/dbraw/zinc/44/70/84/1036447084.db2.gz MYZKBYDHDTTYFZ-CYBMUJFWSA-N 1 1 346.862 4.141 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540248 1036489571 /nfs/dbraw/zinc/48/95/71/1036489571.db2.gz YAWIOGQOJVJFGR-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540248 1036489579 /nfs/dbraw/zinc/48/95/79/1036489579.db2.gz YAWIOGQOJVJFGR-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600579 1036505217 /nfs/dbraw/zinc/50/52/17/1036505217.db2.gz OSSBYZZSRRGUNC-XJKSGUPXSA-N 1 1 326.362 4.019 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502751318 1036618180 /nfs/dbraw/zinc/61/81/80/1036618180.db2.gz SYSGUXBKCIQYDN-MJGOQNOKSA-N 1 1 343.446 4.070 20 30 EIEDMO Cc1nc(-c2ccccc2)oc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000602917530 1036678052 /nfs/dbraw/zinc/67/80/52/1036678052.db2.gz MAHMVPBXHONBGX-UHFFFAOYSA-N 1 1 343.430 4.274 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979157 1036690092 /nfs/dbraw/zinc/69/00/92/1036690092.db2.gz ANAPWIYPMYIMHP-RXVVDRJESA-N 1 1 347.462 4.306 20 30 EIEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036697050 /nfs/dbraw/zinc/69/70/50/1036697050.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 1 1 333.545 4.140 20 30 EIEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036697059 /nfs/dbraw/zinc/69/70/59/1036697059.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 1 1 333.545 4.140 20 30 EIEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698220 /nfs/dbraw/zinc/69/82/20/1036698220.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 1 1 333.545 4.140 20 30 EIEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698242 /nfs/dbraw/zinc/69/82/42/1036698242.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 1 1 333.545 4.140 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1C ZINC000589158392 1036698646 /nfs/dbraw/zinc/69/86/46/1036698646.db2.gz LNANUWSEMUGPBI-UHFFFAOYSA-N 1 1 338.451 4.296 20 30 EIEDMO C[C@]1(C2CCCCC2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603029821 1036709432 /nfs/dbraw/zinc/70/94/32/1036709432.db2.gz PXOOOBSXEXXFIV-HXUWFJFHSA-N 1 1 336.439 4.153 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000598589483 1036710394 /nfs/dbraw/zinc/71/03/94/1036710394.db2.gz IVBZMXLIYFLZLM-OAHLLOKOSA-N 1 1 336.426 4.010 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589495052 1036802784 /nfs/dbraw/zinc/80/27/84/1036802784.db2.gz PPLCCTYQLMCYOB-UHFFFAOYSA-N 1 1 340.295 4.487 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589495052 1036802787 /nfs/dbraw/zinc/80/27/87/1036802787.db2.gz PPLCCTYQLMCYOB-UHFFFAOYSA-N 1 1 340.295 4.487 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1 ZINC000486773434 1036846578 /nfs/dbraw/zinc/84/65/78/1036846578.db2.gz DIKBWKOSFGAQAO-CQSZACIVSA-N 1 1 339.464 4.246 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)n(C)n1 ZINC000599042781 1036854012 /nfs/dbraw/zinc/85/40/12/1036854012.db2.gz FRALGKHYEFKNAN-MGPUTAFESA-N 1 1 342.446 4.297 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000589743012 1036869582 /nfs/dbraw/zinc/86/95/82/1036869582.db2.gz WSJIQCNGGHRYKI-QAJUQPOASA-N 1 1 326.484 4.018 20 30 EIEDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1C#N ZINC000599276958 1036934225 /nfs/dbraw/zinc/93/42/25/1036934225.db2.gz HALUILSWXKOWQS-IRLDBZIGSA-N 1 1 334.463 4.466 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)cc1 ZINC000149734566 1036997083 /nfs/dbraw/zinc/99/70/83/1036997083.db2.gz YEIPIWGYCDRRJW-UHFFFAOYSA-N 1 1 335.632 4.264 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000590204687 1037008026 /nfs/dbraw/zinc/00/80/26/1037008026.db2.gz OHRYUACZLSWRMH-IBGZPJMESA-N 1 1 326.827 4.094 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000590204687 1037008043 /nfs/dbraw/zinc/00/80/43/1037008043.db2.gz OHRYUACZLSWRMH-IBGZPJMESA-N 1 1 326.827 4.094 20 30 EIEDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C#N ZINC000599437847 1037010422 /nfs/dbraw/zinc/01/04/22/1037010422.db2.gz UBQVUSFLNWXEFP-NRFANRHFSA-N 1 1 332.447 4.220 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516131 1037045069 /nfs/dbraw/zinc/04/50/69/1037045069.db2.gz NYLHTSGQNCCVNN-QGZVFWFLSA-N 1 1 348.437 4.245 20 30 EIEDMO N#CCCCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000590417316 1037060089 /nfs/dbraw/zinc/06/00/89/1037060089.db2.gz VVJCNVZTELITKL-UHFFFAOYSA-N 1 1 348.450 4.057 20 30 EIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000590750236 1037153459 /nfs/dbraw/zinc/15/34/59/1037153459.db2.gz IFRLERSEWFFMCS-IBGZPJMESA-N 1 1 342.870 4.307 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ncc(-c2ccccc2)n1C ZINC000590778471 1037163977 /nfs/dbraw/zinc/16/39/77/1037163977.db2.gz MHTQZPUZFUHGJQ-FOIQADDNSA-N 1 1 342.446 4.297 20 30 EIEDMO CC1(C#N)CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000272580314 1037234227 /nfs/dbraw/zinc/23/42/27/1037234227.db2.gz YDEVTHSZWXDGNW-UHFFFAOYSA-N 1 1 330.229 4.127 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC000604414835 1037381834 /nfs/dbraw/zinc/38/18/34/1037381834.db2.gz SFPYVNNLGUIALA-UHFFFAOYSA-N 1 1 347.528 4.485 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521485 1037399148 /nfs/dbraw/zinc/39/91/48/1037399148.db2.gz MKFJUBSZVOMJQN-RXVVDRJESA-N 1 1 338.426 4.297 20 30 EIEDMO CC(C)[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccc(C#N)cc1 ZINC000604491864 1037406740 /nfs/dbraw/zinc/40/67/40/1037406740.db2.gz KEZLCUPFCCMIEC-UHFFFAOYSA-N 1 1 338.842 4.270 20 30 EIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)C(C)C)c(F)c1 ZINC000591531651 1037484189 /nfs/dbraw/zinc/48/41/89/1037484189.db2.gz XTDAMCXFXOFWOI-IBGZPJMESA-N 1 1 330.378 4.332 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294677 1037490599 /nfs/dbraw/zinc/49/05/99/1037490599.db2.gz HNIKBSLYKJBCLW-NHCUHLMSSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1cc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293720 1037491197 /nfs/dbraw/zinc/49/11/97/1037491197.db2.gz YQFZEXUKQVOMOZ-MOJGAOKDSA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293720 1037491201 /nfs/dbraw/zinc/49/12/01/1037491201.db2.gz YQFZEXUKQVOMOZ-MOJGAOKDSA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293720 1037491204 /nfs/dbraw/zinc/49/12/04/1037491204.db2.gz YQFZEXUKQVOMOZ-MOJGAOKDSA-N 1 1 347.506 4.113 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000591856338 1037642607 /nfs/dbraw/zinc/64/26/07/1037642607.db2.gz XLUBXZHQQUXIEK-FQEVSTJZSA-N 1 1 338.495 4.269 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(F)cc(Br)c1 ZINC000592108400 1037731214 /nfs/dbraw/zinc/73/12/14/1037731214.db2.gz YTMLAJKQAUYYIN-MRXNPFEDSA-N 1 1 348.219 4.096 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCc2ncsc2C1 ZINC000592527469 1037826054 /nfs/dbraw/zinc/82/60/54/1037826054.db2.gz AKURSXSSQWQFOX-CYBMUJFWSA-N 1 1 331.510 4.236 20 30 EIEDMO N#Cc1ccccc1-c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423020216 1037903253 /nfs/dbraw/zinc/90/32/53/1037903253.db2.gz ZHYYZTOJEKNCDV-DNVJHFABSA-N 1 1 345.490 4.236 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593038988 1037906266 /nfs/dbraw/zinc/90/62/66/1037906266.db2.gz PLDGIGMRINWJLV-OAHLLOKOSA-N 1 1 343.496 4.038 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593038988 1037906279 /nfs/dbraw/zinc/90/62/79/1037906279.db2.gz PLDGIGMRINWJLV-OAHLLOKOSA-N 1 1 343.496 4.038 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593042219 1037906391 /nfs/dbraw/zinc/90/63/91/1037906391.db2.gz PKDILMTWDWVWRZ-UHFFFAOYSA-N 1 1 326.827 4.389 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3Cl)CCC2)c([N+](=O)[O-])c1 ZINC000593039409 1037906558 /nfs/dbraw/zinc/90/65/58/1037906558.db2.gz LAZFJGDHMJPEDC-UHFFFAOYSA-N 1 1 341.798 4.289 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc1 ZINC000593943961 1037918275 /nfs/dbraw/zinc/91/82/75/1037918275.db2.gz GNFPPNYXFKMZDF-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc1 ZINC000593943961 1037918305 /nfs/dbraw/zinc/91/83/05/1037918305.db2.gz GNFPPNYXFKMZDF-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000489479283 1038071052 /nfs/dbraw/zinc/07/10/52/1038071052.db2.gz ONYVAEUQALIIRZ-ZDUSSCGKSA-N 1 1 327.255 4.363 20 30 EIEDMO N#Cc1cccc(COc2cccc(C[NH2+]CC3(C#N)CCCC3)c2)c1 ZINC000593650524 1038119445 /nfs/dbraw/zinc/11/94/45/1038119445.db2.gz TUDMYHLHEYGOJP-UHFFFAOYSA-N 1 1 345.446 4.311 20 30 EIEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000592519964 1038143441 /nfs/dbraw/zinc/14/34/41/1038143441.db2.gz BTFFHUSZTFNNLF-UHFFFAOYSA-N 1 1 346.352 4.365 20 30 EIEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2c(Cl)cccc21 ZINC000574395922 1038218347 /nfs/dbraw/zinc/21/83/47/1038218347.db2.gz QMIYTXBGLVUONL-UHFFFAOYSA-N 1 1 339.830 4.157 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1noc2ccccc21 ZINC000593959134 1038230276 /nfs/dbraw/zinc/23/02/76/1038230276.db2.gz HAUPYOARYQWRAB-ICSRJNTNSA-N 1 1 331.419 4.142 20 30 EIEDMO CC(C)(C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594032812 1038241292 /nfs/dbraw/zinc/24/12/92/1038241292.db2.gz QKKIKMKDNJNXOZ-UHFFFAOYSA-N 1 1 325.481 4.481 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3ncc(Cl)cc3Cl)CCC2)cc1 ZINC000594032887 1038241975 /nfs/dbraw/zinc/24/19/75/1038241975.db2.gz CINKJRSHTNZZQT-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO CSCc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594517250 1038361637 /nfs/dbraw/zinc/36/16/37/1038361637.db2.gz JRKFAAJAYVWPNP-UHFFFAOYSA-N 1 1 329.494 4.047 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000063551066 1038431343 /nfs/dbraw/zinc/43/13/43/1038431343.db2.gz OKRIMXMHJYYITL-FQEVSTJZSA-N 1 1 333.435 4.032 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000615224310 1038747450 /nfs/dbraw/zinc/74/74/50/1038747450.db2.gz BTLDIJCNEPHABY-IBGZPJMESA-N 1 1 326.827 4.175 20 30 EIEDMO Cc1cc(C)cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751077 1038814695 /nfs/dbraw/zinc/81/46/95/1038814695.db2.gz WROWUGGACHAYEJ-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751077 1038814696 /nfs/dbraw/zinc/81/46/96/1038814696.db2.gz WROWUGGACHAYEJ-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000505056423 1038927260 /nfs/dbraw/zinc/92/72/60/1038927260.db2.gz BHFJSIWHIVNJKE-LEWJYISDSA-N 1 1 349.478 4.372 20 30 EIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccnn2C2CCC2)c2ccccn21 ZINC000899396783 1039081248 /nfs/dbraw/zinc/08/12/48/1039081248.db2.gz HKBGZOYJKRWNGO-KTKRTIGZSA-N 1 1 334.423 4.275 20 30 EIEDMO CC[C@@](C)([NH2+]Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000152656194 1039161002 /nfs/dbraw/zinc/16/10/02/1039161002.db2.gz IXDKEZZLMUJGOO-GOSISDBHSA-N 1 1 329.469 4.241 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000481311191 1039264895 /nfs/dbraw/zinc/26/48/95/1039264895.db2.gz DISNTBFCPUOWMP-FQEVSTJZSA-N 1 1 342.508 4.024 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000600178802 1039354755 /nfs/dbraw/zinc/35/47/55/1039354755.db2.gz POINQMIXLBDDLP-CQSZACIVSA-N 1 1 334.847 4.039 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000600178802 1039354762 /nfs/dbraw/zinc/35/47/62/1039354762.db2.gz POINQMIXLBDDLP-CQSZACIVSA-N 1 1 334.847 4.039 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481438875 1039416147 /nfs/dbraw/zinc/41/61/47/1039416147.db2.gz XREFPOIPMBDDNS-IBGZPJMESA-N 1 1 335.451 4.251 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092475556 1039549709 /nfs/dbraw/zinc/54/97/09/1039549709.db2.gz WIXDUMLGQMDRTC-SJPCQFCGSA-N 1 1 349.519 4.179 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc(F)c1F ZINC001143610631 1039559699 /nfs/dbraw/zinc/55/96/99/1039559699.db2.gz AJCDGJWVDMHDSP-SFHVURJKSA-N 1 1 342.389 4.188 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000481602684 1039605169 /nfs/dbraw/zinc/60/51/69/1039605169.db2.gz AFPAVVJEWQYZKL-GOSISDBHSA-N 1 1 348.349 4.289 20 30 EIEDMO N#CCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC1CC1 ZINC000093091555 1039630352 /nfs/dbraw/zinc/63/03/52/1039630352.db2.gz YCZZXJBLUFBHDT-UHFFFAOYSA-N 1 1 345.446 4.263 20 30 EIEDMO N#CCC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC1CC1 ZINC000093091555 1039630379 /nfs/dbraw/zinc/63/03/79/1039630379.db2.gz YCZZXJBLUFBHDT-UHFFFAOYSA-N 1 1 345.446 4.263 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](CC)CCc2nccs2)ccc1OC ZINC000093764733 1039746833 /nfs/dbraw/zinc/74/68/33/1039746833.db2.gz OOBFUNOWANMOOY-UHFFFAOYSA-N 1 1 346.496 4.171 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000093791800 1039756298 /nfs/dbraw/zinc/75/62/98/1039756298.db2.gz OJPRSIDFGNVSFT-LJQANCHMSA-N 1 1 330.472 4.006 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000093791800 1039756325 /nfs/dbraw/zinc/75/63/25/1039756325.db2.gz OJPRSIDFGNVSFT-LJQANCHMSA-N 1 1 330.472 4.006 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093791799 1039758627 /nfs/dbraw/zinc/75/86/27/1039758627.db2.gz OJPRSIDFGNVSFT-IBGZPJMESA-N 1 1 330.472 4.006 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093791799 1039758668 /nfs/dbraw/zinc/75/86/68/1039758668.db2.gz OJPRSIDFGNVSFT-IBGZPJMESA-N 1 1 330.472 4.006 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706860 1039817915 /nfs/dbraw/zinc/81/79/15/1039817915.db2.gz OMXAHFHNAJNCTJ-HNNXBMFYSA-N 1 1 339.439 4.016 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706860 1039817917 /nfs/dbraw/zinc/81/79/17/1039817917.db2.gz OMXAHFHNAJNCTJ-HNNXBMFYSA-N 1 1 339.439 4.016 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1Cl ZINC000430090576 1039827249 /nfs/dbraw/zinc/82/72/49/1039827249.db2.gz ODAUYYKZHZZBNZ-CVEARBPZSA-N 1 1 327.802 4.382 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000478560403 1039827790 /nfs/dbraw/zinc/82/77/90/1039827790.db2.gz LRYGVECBLDHLRS-VQTJNVASSA-N 1 1 340.511 4.102 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924983390 1039837747 /nfs/dbraw/zinc/83/77/47/1039837747.db2.gz BJRCFNKAQOKJCM-INIZCTEOSA-N 1 1 325.456 4.033 20 30 EIEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OCCCC#N ZINC000430094474 1039838733 /nfs/dbraw/zinc/83/87/33/1039838733.db2.gz KITILQRHDIXAGM-FQEVSTJZSA-N 1 1 342.483 4.388 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c2ccccc12 ZINC000434976721 1039975691 /nfs/dbraw/zinc/97/56/91/1039975691.db2.gz DEDDYOKMDROAOD-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000478966439 1040048717 /nfs/dbraw/zinc/04/87/17/1040048717.db2.gz ZGVDULCUUMUUQT-UHFFFAOYSA-N 1 1 328.337 4.061 20 30 EIEDMO C=CCCOCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000535244165 1040090656 /nfs/dbraw/zinc/09/06/56/1040090656.db2.gz QUPKBUUCFYKRCU-OAQYLSRUSA-N 1 1 348.446 4.274 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983660 1040096832 /nfs/dbraw/zinc/09/68/32/1040096832.db2.gz LXMYJMPWYCEYFR-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983660 1040096860 /nfs/dbraw/zinc/09/68/60/1040096860.db2.gz LXMYJMPWYCEYFR-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535353878 1040213845 /nfs/dbraw/zinc/21/38/45/1040213845.db2.gz HHGNTMFSJLWSDE-KRWDZBQOSA-N 1 1 347.462 4.379 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000479430405 1040355995 /nfs/dbraw/zinc/35/59/95/1040355995.db2.gz XIYXTMZQSDZHML-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c1=S ZINC000151520538 1040384561 /nfs/dbraw/zinc/38/45/61/1040384561.db2.gz ZMSJMUJVPFSCOR-NVXWUHKLSA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c1=S ZINC000151520538 1040384568 /nfs/dbraw/zinc/38/45/68/1040384568.db2.gz ZMSJMUJVPFSCOR-NVXWUHKLSA-N 1 1 342.512 4.052 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1C ZINC000160307475 1040448603 /nfs/dbraw/zinc/44/86/03/1040448603.db2.gz KSHPENWYSFRVDE-FQEVSTJZSA-N 1 1 337.467 4.014 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1C ZINC000160307475 1040448611 /nfs/dbraw/zinc/44/86/11/1040448611.db2.gz KSHPENWYSFRVDE-FQEVSTJZSA-N 1 1 337.467 4.014 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000160340406 1040473039 /nfs/dbraw/zinc/47/30/39/1040473039.db2.gz WAMFUMLPUYBCHV-QGZVFWFLSA-N 1 1 343.430 4.383 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2c(cccc2F)n1CC ZINC000491259272 1040473717 /nfs/dbraw/zinc/47/37/17/1040473717.db2.gz JHAUDSRLXJNMOP-UHFFFAOYSA-N 1 1 327.403 4.019 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2c(cccc2F)n1CC ZINC000491259272 1040473722 /nfs/dbraw/zinc/47/37/22/1040473722.db2.gz JHAUDSRLXJNMOP-UHFFFAOYSA-N 1 1 327.403 4.019 20 30 EIEDMO C=C(C)CN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428786604 1040477131 /nfs/dbraw/zinc/47/71/31/1040477131.db2.gz OCROFPWVRAMUDC-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428786604 1040477139 /nfs/dbraw/zinc/47/71/39/1040477139.db2.gz OCROFPWVRAMUDC-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428786604 1040477143 /nfs/dbraw/zinc/47/71/43/1040477143.db2.gz OCROFPWVRAMUDC-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=CCCCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000479577115 1040488054 /nfs/dbraw/zinc/48/80/54/1040488054.db2.gz JHEQUZFPAXAQDH-UHFFFAOYSA-N 1 1 328.500 4.424 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(Cl)ccc2n1C ZINC000491270082 1040622377 /nfs/dbraw/zinc/62/23/77/1040622377.db2.gz FVDRRMSQSXQAQW-UHFFFAOYSA-N 1 1 329.831 4.050 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(Cl)ccc2n1C ZINC000491270082 1040622382 /nfs/dbraw/zinc/62/23/82/1040622382.db2.gz FVDRRMSQSXQAQW-UHFFFAOYSA-N 1 1 329.831 4.050 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000483173275 1040744593 /nfs/dbraw/zinc/74/45/93/1040744593.db2.gz ZLQPAKUVFZLHFO-GFCCVEGCSA-N 1 1 333.229 4.497 20 30 EIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000539814875 1040809241 /nfs/dbraw/zinc/80/92/41/1040809241.db2.gz GMRANUCKDSXBNG-UHFFFAOYSA-N 1 1 332.245 4.121 20 30 EIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000539814875 1040809242 /nfs/dbraw/zinc/80/92/42/1040809242.db2.gz GMRANUCKDSXBNG-UHFFFAOYSA-N 1 1 332.245 4.121 20 30 EIEDMO C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CCC)C2)cc1Cl ZINC000539821367 1040814356 /nfs/dbraw/zinc/81/43/56/1040814356.db2.gz CDBHFVNYEVCJNQ-KRWDZBQOSA-N 1 1 336.907 4.069 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C)cc1OC ZINC000539830972 1040826712 /nfs/dbraw/zinc/82/67/12/1040826712.db2.gz AOIKRXAIWTUHEH-LBPRGKRZSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2C)cc1OC ZINC000539830972 1040826717 /nfs/dbraw/zinc/82/67/17/1040826717.db2.gz AOIKRXAIWTUHEH-LBPRGKRZSA-N 1 1 340.261 4.007 20 30 EIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1C ZINC000483543228 1040889070 /nfs/dbraw/zinc/88/90/70/1040889070.db2.gz XQGYAQUXVZGKCQ-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO C[N@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1Cl ZINC000554264949 1040925536 /nfs/dbraw/zinc/92/55/36/1040925536.db2.gz WFYBGTLKFVAZOX-UHFFFAOYSA-N 1 1 329.669 4.474 20 30 EIEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1Cl ZINC000554264949 1040925555 /nfs/dbraw/zinc/92/55/55/1040925555.db2.gz WFYBGTLKFVAZOX-UHFFFAOYSA-N 1 1 329.669 4.474 20 30 EIEDMO Cc1nsc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000515657513 1040931545 /nfs/dbraw/zinc/93/15/45/1040931545.db2.gz WMIJFKDRYHNALF-WMLDXEAASA-N 1 1 340.496 4.036 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554277429 1040963647 /nfs/dbraw/zinc/96/36/47/1040963647.db2.gz HMXYLQBRELFQQX-DLBZAZTESA-N 1 1 332.513 4.207 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(Cl)c1OC)c1cccc(C#N)c1O ZINC000903247870 1040997627 /nfs/dbraw/zinc/99/76/27/1040997627.db2.gz YMRZSORVEGRSBL-INIZCTEOSA-N 1 1 330.815 4.167 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000505781309 1041012475 /nfs/dbraw/zinc/01/24/75/1041012475.db2.gz FJURXGGFADOLAD-INIZCTEOSA-N 1 1 333.435 4.112 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000483930226 1041070070 /nfs/dbraw/zinc/07/00/70/1041070070.db2.gz OWLQAAJUJMTXBP-OAHLLOKOSA-N 1 1 326.415 4.159 20 30 EIEDMO C[C@H]1C[C@@H](N(C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934925 1041070112 /nfs/dbraw/zinc/07/01/12/1041070112.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 1 1 332.491 4.023 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1C ZINC000425532228 1041176605 /nfs/dbraw/zinc/17/66/05/1041176605.db2.gz ISHCEQSBLWVOTN-AWEZNQCLSA-N 1 1 341.480 4.177 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1C ZINC000425532228 1041176633 /nfs/dbraw/zinc/17/66/33/1041176633.db2.gz ISHCEQSBLWVOTN-AWEZNQCLSA-N 1 1 341.480 4.177 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000538287238 1041223724 /nfs/dbraw/zinc/22/37/24/1041223724.db2.gz WJXYBJJSFUOJTD-SJORKVTESA-N 1 1 349.544 4.004 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000463034543 1041255421 /nfs/dbraw/zinc/25/54/21/1041255421.db2.gz DBSVSVOOGISNGO-CABCVRRESA-N 1 1 326.362 4.120 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000667670248 1041274608 /nfs/dbraw/zinc/27/46/08/1041274608.db2.gz IIECTKMUGOSSLU-NRFANRHFSA-N 1 1 344.458 4.479 20 30 EIEDMO N#Cc1csc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000538411561 1041330743 /nfs/dbraw/zinc/33/07/43/1041330743.db2.gz SBNMHDYBAZZVAJ-LBPRGKRZSA-N 1 1 325.220 4.150 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290152 1041356889 /nfs/dbraw/zinc/35/68/89/1041356889.db2.gz GLZLWVZAMUHRJU-CJNGLKHVSA-N 1 1 327.378 4.084 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557046 1041390724 /nfs/dbraw/zinc/39/07/24/1041390724.db2.gz RYHGCIFUSCGVCS-SJORKVTESA-N 1 1 345.918 4.298 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1F ZINC000554834845 1041446635 /nfs/dbraw/zinc/44/66/35/1041446635.db2.gz KQLJBBCTWKZKFA-CQSZACIVSA-N 1 1 326.337 4.252 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1F ZINC000554834845 1041446639 /nfs/dbraw/zinc/44/66/39/1041446639.db2.gz KQLJBBCTWKZKFA-CQSZACIVSA-N 1 1 326.337 4.252 20 30 EIEDMO C[C@H]([NH2+]C1(CN[C@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243824 1041451355 /nfs/dbraw/zinc/45/13/55/1041451355.db2.gz UMSBRPGUYCNXNZ-BJLQDIEVSA-N 1 1 325.500 4.322 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCc2ccccc21 ZINC000480653119 1041455962 /nfs/dbraw/zinc/45/59/62/1041455962.db2.gz MLEDXRZOQQIQPU-GOSISDBHSA-N 1 1 341.252 4.440 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCc2ccccc21 ZINC000480653119 1041455968 /nfs/dbraw/zinc/45/59/68/1041455968.db2.gz MLEDXRZOQQIQPU-GOSISDBHSA-N 1 1 341.252 4.440 20 30 EIEDMO Cn1cc(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1C#N ZINC000554874303 1041466293 /nfs/dbraw/zinc/46/62/93/1041466293.db2.gz UYXMNMOWBIZWQY-UHFFFAOYSA-N 1 1 347.384 4.328 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000904513713 1041510207 /nfs/dbraw/zinc/51/02/07/1041510207.db2.gz IAXFBKPNKKBBJC-ZDUSSCGKSA-N 1 1 325.334 4.035 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)(C)C ZINC000463371308 1041538046 /nfs/dbraw/zinc/53/80/46/1041538046.db2.gz PEOSBJGKBGFLSQ-HNNXBMFYSA-N 1 1 347.528 4.245 20 30 EIEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000516668256 1041695825 /nfs/dbraw/zinc/69/58/25/1041695825.db2.gz TWTWNMDXVDSJBU-HSZRJFAPSA-N 1 1 348.490 4.456 20 30 EIEDMO C=CCc1cc(C[N@@H+](CC=C)Cc2cccs2)cc(OC)c1O ZINC000506013570 1041737318 /nfs/dbraw/zinc/73/73/18/1041737318.db2.gz YIESHYORYMSWGC-UHFFFAOYSA-N 1 1 329.465 4.379 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1-c1ccnn1C ZINC000507661272 1041746166 /nfs/dbraw/zinc/74/61/66/1041746166.db2.gz STXJJZBJXHLCNV-UHFFFAOYSA-N 1 1 347.462 4.284 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000506022033 1041748192 /nfs/dbraw/zinc/74/81/92/1041748192.db2.gz OOGFTJWLIGKQGJ-LJQANCHMSA-N 1 1 343.492 4.494 20 30 EIEDMO CCc1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)cs2)cc1 ZINC000541020337 1041783768 /nfs/dbraw/zinc/78/37/68/1041783768.db2.gz OUVTXQCRBKAZOW-UHFFFAOYSA-N 1 1 325.481 4.498 20 30 EIEDMO N#Cc1ccc(C[N@H+](CC[C@H]2CCOC2)Cc2cccc(F)c2)cc1 ZINC000437594189 1041847884 /nfs/dbraw/zinc/84/78/84/1041847884.db2.gz VVJRFTKGCQNVQX-IBGZPJMESA-N 1 1 338.426 4.126 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1cccc(C#N)c1 ZINC000437686027 1041878103 /nfs/dbraw/zinc/87/81/03/1041878103.db2.gz IRZHHPZUBHGDGS-UHFFFAOYSA-N 1 1 334.448 4.198 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1F ZINC000437687916 1041879040 /nfs/dbraw/zinc/87/90/40/1041879040.db2.gz MIIVPIJCFGHZKA-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1F ZINC000437687916 1041879046 /nfs/dbraw/zinc/87/90/46/1041879046.db2.gz MIIVPIJCFGHZKA-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000517519707 1042060062 /nfs/dbraw/zinc/06/00/62/1042060062.db2.gz LLWLPKWXDFDHNZ-FQEVSTJZSA-N 1 1 349.434 4.163 20 30 EIEDMO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](C)C#N)c1 ZINC000541764643 1042097707 /nfs/dbraw/zinc/09/77/07/1042097707.db2.gz JFCORPJBRIJXNX-MRXNPFEDSA-N 1 1 348.425 4.236 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000541765070 1042097901 /nfs/dbraw/zinc/09/79/01/1042097901.db2.gz SCSBIIVKBNNOBA-INIZCTEOSA-N 1 1 348.425 4.236 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000541779450 1042102136 /nfs/dbraw/zinc/10/21/36/1042102136.db2.gz XUFWZFMSTQJFPM-NRFANRHFSA-N 1 1 342.483 4.150 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000541779450 1042102139 /nfs/dbraw/zinc/10/21/39/1042102139.db2.gz XUFWZFMSTQJFPM-NRFANRHFSA-N 1 1 342.483 4.150 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464760248 1042153727 /nfs/dbraw/zinc/15/37/27/1042153727.db2.gz DUYPAFOHTBMMHQ-UHFFFAOYSA-N 1 1 339.483 4.323 20 30 EIEDMO N#Cc1c(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cn2ccccc12 ZINC000464763273 1042154669 /nfs/dbraw/zinc/15/46/69/1042154669.db2.gz AMVWCINFPLWODJ-QGZVFWFLSA-N 1 1 347.487 4.425 20 30 EIEDMO Cc1cnn(CCCCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464810873 1042173517 /nfs/dbraw/zinc/17/35/17/1042173517.db2.gz GSFRGPPJWCYUEH-NHCUHLMSSA-N 1 1 336.483 4.134 20 30 EIEDMO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816753 1042176560 /nfs/dbraw/zinc/17/65/60/1042176560.db2.gz WWUVFUQTFVELSU-AZUAARDMSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816753 1042176564 /nfs/dbraw/zinc/17/65/64/1042176564.db2.gz WWUVFUQTFVELSU-AZUAARDMSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438595197 1042264133 /nfs/dbraw/zinc/26/41/33/1042264133.db2.gz ICFGIYNODSJGHO-UHFFFAOYSA-N 1 1 339.439 4.007 20 30 EIEDMO C=CC[N@H+](CCCCCOC)Cc1cc(Br)ccc1F ZINC000303132597 1042315407 /nfs/dbraw/zinc/31/54/07/1042315407.db2.gz BMJOWSKOOONSTG-UHFFFAOYSA-N 1 1 344.268 4.393 20 30 EIEDMO C=CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCCCC1 ZINC000303502776 1042452685 /nfs/dbraw/zinc/45/26/85/1042452685.db2.gz YZCBLFRBOOLQEL-UHFFFAOYSA-N 1 1 339.483 4.002 20 30 EIEDMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934163 1042534262 /nfs/dbraw/zinc/53/42/62/1042534262.db2.gz METPKSQIOYERSU-IERDGZPVSA-N 1 1 337.442 4.185 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439435532 1042624360 /nfs/dbraw/zinc/62/43/60/1042624360.db2.gz FMDPYYQPBYARPI-FQEVSTJZSA-N 1 1 338.838 4.233 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000439456254 1042640097 /nfs/dbraw/zinc/64/00/97/1042640097.db2.gz XVOZKWAMLZGLMV-HXUWFJFHSA-N 1 1 340.854 4.084 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C#N)ccc1Br ZINC000492607167 1042703786 /nfs/dbraw/zinc/70/37/86/1042703786.db2.gz MDYCLLIZOBKEFL-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C#N)ccc1Br ZINC000492607167 1042703794 /nfs/dbraw/zinc/70/37/94/1042703794.db2.gz MDYCLLIZOBKEFL-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO COc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC000492604407 1042707095 /nfs/dbraw/zinc/70/70/95/1042707095.db2.gz FBZINDTXQMXXKL-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)c2ccccc21 ZINC000174844889 1042715542 /nfs/dbraw/zinc/71/55/42/1042715542.db2.gz RLGVJAPMJPPOFN-LJQANCHMSA-N 1 1 335.451 4.002 20 30 EIEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848072 1042852152 /nfs/dbraw/zinc/85/21/52/1042852152.db2.gz UUKCEJVYXSELCT-CVEARBPZSA-N 1 1 347.528 4.387 20 30 EIEDMO CCC(CC)[N@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)C ZINC000177864890 1042853136 /nfs/dbraw/zinc/85/31/36/1042853136.db2.gz FWJLHPKJXKEMIG-UHFFFAOYSA-N 1 1 347.528 4.387 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506026 1042873563 /nfs/dbraw/zinc/87/35/63/1042873563.db2.gz MGFYBTSPXPKGJH-UHFFFAOYSA-N 1 1 341.798 4.308 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506026 1042873565 /nfs/dbraw/zinc/87/35/65/1042873565.db2.gz MGFYBTSPXPKGJH-UHFFFAOYSA-N 1 1 341.798 4.308 20 30 EIEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000031255809 1042893127 /nfs/dbraw/zinc/89/31/27/1042893127.db2.gz UEEBEZZCHYEXCB-NRFANRHFSA-N 1 1 348.446 4.143 20 30 EIEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000031255809 1042893128 /nfs/dbraw/zinc/89/31/28/1042893128.db2.gz UEEBEZZCHYEXCB-NRFANRHFSA-N 1 1 348.446 4.143 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CC3CCCCC3)C3CC3)o2)c1 ZINC000075643189 1043071878 /nfs/dbraw/zinc/07/18/78/1043071878.db2.gz NPYSNVAMEFAXCG-UHFFFAOYSA-N 1 1 336.439 4.153 20 30 EIEDMO N#Cc1ccc(CNCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000112710494 1043140620 /nfs/dbraw/zinc/14/06/20/1043140620.db2.gz DOGRRNMLWZXHOH-UHFFFAOYSA-N 1 1 333.479 4.224 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000029828371 1043155751 /nfs/dbraw/zinc/15/57/51/1043155751.db2.gz BEQVMWQTPMGVCR-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828370 1043156802 /nfs/dbraw/zinc/15/68/02/1043156802.db2.gz BEQVMWQTPMGVCR-OAHLLOKOSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000077195049 1043255295 /nfs/dbraw/zinc/25/52/95/1043255295.db2.gz GPTCYJNIYKCFJY-KRWDZBQOSA-N 1 1 339.464 4.176 20 30 EIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000077195049 1043255300 /nfs/dbraw/zinc/25/53/00/1043255300.db2.gz GPTCYJNIYKCFJY-KRWDZBQOSA-N 1 1 339.464 4.176 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186304697 1043265767 /nfs/dbraw/zinc/26/57/67/1043265767.db2.gz VEYBKTNLZWAZFE-UHFFFAOYSA-N 1 1 348.446 4.392 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccc(F)c(F)c1 ZINC000187371789 1043346285 /nfs/dbraw/zinc/34/62/85/1043346285.db2.gz SKKYCDYALMZLPN-SFHVURJKSA-N 1 1 342.393 4.031 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000625703145 1043360325 /nfs/dbraw/zinc/36/03/25/1043360325.db2.gz LSYYJLKJUIQBMK-INIZCTEOSA-N 1 1 341.455 4.314 20 30 EIEDMO CCc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521195571 1043645104 /nfs/dbraw/zinc/64/51/04/1043645104.db2.gz IGICSHLNFORZTO-UHFFFAOYSA-N 1 1 349.478 4.217 20 30 EIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(OCC#N)cc1 ZINC000731211697 1043715258 /nfs/dbraw/zinc/71/52/58/1043715258.db2.gz WCJZMGJHRNXSJA-UHFFFAOYSA-N 1 1 344.842 4.143 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3occc3Br)CC2)cc1 ZINC001143128777 1043779331 /nfs/dbraw/zinc/77/93/31/1043779331.db2.gz STVBNQOFSYOONB-UHFFFAOYSA-N 1 1 345.240 4.293 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731659249 1043808676 /nfs/dbraw/zinc/80/86/76/1043808676.db2.gz YYTLWIFMDKYFLM-UHFFFAOYSA-N 1 1 330.435 4.291 20 30 EIEDMO CC[N@H+](Cc1nc(-c2cccs2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000078961220 1043815438 /nfs/dbraw/zinc/81/54/38/1043815438.db2.gz OEEDYQKGHIJONL-CYBMUJFWSA-N 1 1 338.436 4.253 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2cccs2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000078961220 1043815440 /nfs/dbraw/zinc/81/54/40/1043815440.db2.gz OEEDYQKGHIJONL-CYBMUJFWSA-N 1 1 338.436 4.253 20 30 EIEDMO CCCC1CCC([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000191426178 1043816104 /nfs/dbraw/zinc/81/61/04/1043816104.db2.gz MMSXJDPQOLLUNX-UHFFFAOYSA-N 1 1 338.455 4.399 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000191443198 1043817910 /nfs/dbraw/zinc/81/79/10/1043817910.db2.gz HUEJSESEQXTHBE-INIZCTEOSA-N 1 1 331.504 4.390 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)c(OC)c2)s1 ZINC000442884048 1043882813 /nfs/dbraw/zinc/88/28/13/1043882813.db2.gz JJRKTBKLZAVXEW-ZDUSSCGKSA-N 1 1 329.469 4.087 20 30 EIEDMO COc1cc(C[N@@H+](C)CCCCC(C)(C)C#N)ccc1OC(F)F ZINC000521764567 1043966934 /nfs/dbraw/zinc/96/69/34/1043966934.db2.gz HCJFDDITCMQFBI-UHFFFAOYSA-N 1 1 340.414 4.448 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443014692 1043970834 /nfs/dbraw/zinc/97/08/34/1043970834.db2.gz PVDMIYQSYZUPTP-UHFFFAOYSA-N 1 1 326.406 4.144 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H]2COc3c2cccc3Cl)cc(OC)c1O ZINC000675102947 1044018750 /nfs/dbraw/zinc/01/87/50/1044018750.db2.gz BPCFWNBOAQNJBF-INIZCTEOSA-N 1 1 345.826 4.006 20 30 EIEDMO COc1ccc(OCCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543177645 1044047000 /nfs/dbraw/zinc/04/70/00/1044047000.db2.gz IDPWHEWSJFYRNB-UHFFFAOYSA-N 1 1 336.435 4.000 20 30 EIEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986569 1044059153 /nfs/dbraw/zinc/05/91/53/1044059153.db2.gz MLHSHLCVFPJASS-IBGZPJMESA-N 1 1 328.362 4.052 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000733327218 1044193556 /nfs/dbraw/zinc/19/35/56/1044193556.db2.gz PWRFVPKXUKENCN-QHCPKHFHSA-N 1 1 348.490 4.015 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000733331099 1044199834 /nfs/dbraw/zinc/19/98/34/1044199834.db2.gz ABRWLKWZXAYADK-UHFFFAOYSA-N 1 1 337.448 4.060 20 30 EIEDMO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2ccc(C#N)o2)cc1 ZINC000174262518 1044242678 /nfs/dbraw/zinc/24/26/78/1044242678.db2.gz KPIRFNQGVPRUGA-UHFFFAOYSA-N 1 1 345.446 4.170 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)o1 ZINC000174268560 1044242753 /nfs/dbraw/zinc/24/27/53/1044242753.db2.gz VEJVXBBGADJYRO-UHFFFAOYSA-N 1 1 335.388 4.311 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000543254533 1044246014 /nfs/dbraw/zinc/24/60/14/1044246014.db2.gz ZPTMTHBCHVMEBB-UHFFFAOYSA-N 1 1 341.798 4.284 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000543254533 1044246033 /nfs/dbraw/zinc/24/60/33/1044246033.db2.gz ZPTMTHBCHVMEBB-UHFFFAOYSA-N 1 1 341.798 4.284 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CCO2)c1 ZINC000761765133 1044478273 /nfs/dbraw/zinc/47/82/73/1044478273.db2.gz ISFKDMWZNAFGSU-FQEVSTJZSA-N 1 1 340.854 4.218 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CCO2)c1 ZINC000761765133 1044478282 /nfs/dbraw/zinc/47/82/82/1044478282.db2.gz ISFKDMWZNAFGSU-FQEVSTJZSA-N 1 1 340.854 4.218 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477759 1044589139 /nfs/dbraw/zinc/58/91/39/1044589139.db2.gz SQBKGIVHHPSZRU-DYESRHJHSA-N 1 1 342.446 4.257 20 30 EIEDMO C[N@H+](Cc1cc(Br)cs1)Cc1cc(C#N)cs1 ZINC000091888370 1044714674 /nfs/dbraw/zinc/71/46/74/1044714674.db2.gz KKGHFDRTUREVDS-UHFFFAOYSA-N 1 1 327.272 4.076 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cs1)Cc1cc(C#N)cs1 ZINC000091888370 1044714686 /nfs/dbraw/zinc/71/46/86/1044714686.db2.gz KKGHFDRTUREVDS-UHFFFAOYSA-N 1 1 327.272 4.076 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474159159 1044723108 /nfs/dbraw/zinc/72/31/08/1044723108.db2.gz MAEJWUWVBNIGHA-UHFFFAOYSA-N 1 1 338.842 4.109 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccccc1F ZINC000495200514 1044784382 /nfs/dbraw/zinc/78/43/82/1044784382.db2.gz JPGOHHAZHYTSQY-UHFFFAOYSA-N 1 1 325.387 4.040 20 30 EIEDMO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCCO1 ZINC000735309419 1044799947 /nfs/dbraw/zinc/79/99/47/1044799947.db2.gz NHSWXZZWJOLSPU-QGZVFWFLSA-N 1 1 336.863 4.023 20 30 EIEDMO CC1([N@@H+](CCCSCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474282720 1044833833 /nfs/dbraw/zinc/83/38/33/1044833833.db2.gz AVGGZBSVDZKJAQ-UHFFFAOYSA-N 1 1 346.496 4.197 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499959048 1044840725 /nfs/dbraw/zinc/84/07/25/1044840725.db2.gz XPWHGNNMTUGPJF-QGZVFWFLSA-N 1 1 346.833 4.103 20 30 EIEDMO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000154900197 1044846289 /nfs/dbraw/zinc/84/62/89/1044846289.db2.gz AMPGUOAKBAWLNL-MRXNPFEDSA-N 1 1 347.466 4.467 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093844596 1044857625 /nfs/dbraw/zinc/85/76/25/1044857625.db2.gz CBQVUOGVTVXRKV-MRXNPFEDSA-N 1 1 331.529 4.096 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093844596 1044857627 /nfs/dbraw/zinc/85/76/27/1044857627.db2.gz CBQVUOGVTVXRKV-MRXNPFEDSA-N 1 1 331.529 4.096 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000735925769 1044879785 /nfs/dbraw/zinc/87/97/85/1044879785.db2.gz QKZFNGWPLYIMMC-UHFFFAOYSA-N 1 1 327.167 4.350 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC(C)C)c1ccccc1 ZINC000428952436 1044895827 /nfs/dbraw/zinc/89/58/27/1044895827.db2.gz MMCUYPKEKWGZIR-NRFANRHFSA-N 1 1 343.467 4.316 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1OC(F)(F)F ZINC000125465919 1045002680 /nfs/dbraw/zinc/00/26/80/1045002680.db2.gz LEEYUOCGYDAZPP-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1OC(F)(F)F ZINC000125465919 1045002691 /nfs/dbraw/zinc/00/26/91/1045002691.db2.gz LEEYUOCGYDAZPP-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000156291456 1045033793 /nfs/dbraw/zinc/03/37/93/1045033793.db2.gz KNPYYNMKLCJWPV-AWEZNQCLSA-N 1 1 329.469 4.094 20 30 EIEDMO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657018 1045048004 /nfs/dbraw/zinc/04/80/04/1045048004.db2.gz VOTAIRGRXQBICO-CTNGQTDRSA-N 1 1 343.515 4.294 20 30 EIEDMO CCCCCCCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000915080790 1045061647 /nfs/dbraw/zinc/06/16/47/1045061647.db2.gz VGXRMEZRLNBPLD-UHFFFAOYSA-N 1 1 330.516 4.390 20 30 EIEDMO CCC[N@@H+](CCCSCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466708559 1045068914 /nfs/dbraw/zinc/06/89/14/1045068914.db2.gz ZBJINKIMOHBLCL-FQEVSTJZSA-N 1 1 345.556 4.010 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000915210203 1045189339 /nfs/dbraw/zinc/18/93/39/1045189339.db2.gz XUNOGGPKFKVRTM-UAGQMJEPSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000915210203 1045189344 /nfs/dbraw/zinc/18/93/44/1045189344.db2.gz XUNOGGPKFKVRTM-UAGQMJEPSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018919 1045201782 /nfs/dbraw/zinc/20/17/82/1045201782.db2.gz JRFOMBQIYAUZKB-NYVOZVTQSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018919 1045201799 /nfs/dbraw/zinc/20/17/99/1045201799.db2.gz JRFOMBQIYAUZKB-NYVOZVTQSA-N 1 1 335.495 4.342 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1F ZINC000611266423 1045269506 /nfs/dbraw/zinc/26/95/06/1045269506.db2.gz DXGWVUCLKNGHMP-MRXNPFEDSA-N 1 1 335.382 4.218 20 30 EIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nccc2ccccc21 ZINC000611266539 1045270997 /nfs/dbraw/zinc/27/09/97/1045270997.db2.gz XJKKXWLQIBEWOY-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nccc2ccccc21 ZINC000611266539 1045271008 /nfs/dbraw/zinc/27/10/08/1045271008.db2.gz XJKKXWLQIBEWOY-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266722 1045271719 /nfs/dbraw/zinc/27/17/19/1045271719.db2.gz DAVJLLZKPIUHDI-IEBWSBKVSA-N 1 1 326.465 4.219 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611290093 1045275179 /nfs/dbraw/zinc/27/51/79/1045275179.db2.gz TYVLLNLLFCHAHX-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611290093 1045275186 /nfs/dbraw/zinc/27/51/86/1045275186.db2.gz TYVLLNLLFCHAHX-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611290093 1045275194 /nfs/dbraw/zinc/27/51/94/1045275194.db2.gz TYVLLNLLFCHAHX-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374394 1045289833 /nfs/dbraw/zinc/28/98/33/1045289833.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374394 1045289844 /nfs/dbraw/zinc/28/98/44/1045289844.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374394 1045289855 /nfs/dbraw/zinc/28/98/55/1045289855.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO COc1ccccc1-c1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)on1 ZINC000611387560 1045295996 /nfs/dbraw/zinc/29/59/96/1045295996.db2.gz PXUZHVJVLKDQDR-CQSZACIVSA-N 1 1 333.391 4.073 20 30 EIEDMO C[C@H]([NH2+][C@@H](CN1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438271 1045308633 /nfs/dbraw/zinc/30/86/33/1045308633.db2.gz AUOFNUMVINUFSI-AVRDEDQJSA-N 1 1 333.479 4.436 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/CCc3c(O)cccc3C2=O)c2ccccn21 ZINC000762600295 1045309052 /nfs/dbraw/zinc/30/90/52/1045309052.db2.gz MIBQWWRBLUORIG-OWBHPGMISA-N 1 1 332.403 4.376 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509688 1045318975 /nfs/dbraw/zinc/31/89/75/1045318975.db2.gz AJZIBMFQCNNYAL-ZWKOTPCHSA-N 1 1 348.494 4.197 20 30 EIEDMO C=CCOc1ccc(CNC2CC[NH+](CC(=C)C)CC2)cc1Cl ZINC000236690186 1045363213 /nfs/dbraw/zinc/36/32/13/1045363213.db2.gz JPOSZNYJLCDHSC-UHFFFAOYSA-N 1 1 334.891 4.035 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000495797397 1045415183 /nfs/dbraw/zinc/41/51/83/1045415183.db2.gz DHIISBSDWSIARG-IRXDYDNUSA-N 1 1 349.519 4.038 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c(O)c(OC)c1 ZINC000915825617 1045495486 /nfs/dbraw/zinc/49/54/86/1045495486.db2.gz FGXHHFXTLAPCBG-UHFFFAOYSA-N 1 1 331.843 4.415 20 30 EIEDMO C[C@H](C#N)C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000533596648 1045632089 /nfs/dbraw/zinc/63/20/89/1045632089.db2.gz NNDGQNPUWARDPT-CQSZACIVSA-N 1 1 340.389 4.488 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC000767763954 1045634911 /nfs/dbraw/zinc/63/49/11/1045634911.db2.gz FWOSKAUBIWNCOX-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC000767763954 1045634924 /nfs/dbraw/zinc/63/49/24/1045634924.db2.gz FWOSKAUBIWNCOX-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1c1ccccc1 ZINC000746488625 1045638256 /nfs/dbraw/zinc/63/82/56/1045638256.db2.gz GBNSASRCULMRDT-KUHUBIRLSA-N 1 1 326.827 4.435 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1c1ccccc1 ZINC000746488625 1045638262 /nfs/dbraw/zinc/63/82/62/1045638262.db2.gz GBNSASRCULMRDT-KUHUBIRLSA-N 1 1 326.827 4.435 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000246299840 1045652933 /nfs/dbraw/zinc/65/29/33/1045652933.db2.gz WJKWXUCTUDGOPF-HRCADAONSA-N 1 1 345.512 4.282 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000767905709 1045679040 /nfs/dbraw/zinc/67/90/40/1045679040.db2.gz HDAONWKLJGJGHL-FCHUYYIVSA-N 1 1 334.463 4.079 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697307 1045793523 /nfs/dbraw/zinc/79/35/23/1045793523.db2.gz WJKWXUCTUDGOPF-OWCLPIDISA-N 1 1 345.512 4.282 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697307 1045793548 /nfs/dbraw/zinc/79/35/48/1045793548.db2.gz WJKWXUCTUDGOPF-OWCLPIDISA-N 1 1 345.512 4.282 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)c(OC)c(OCC)c1)C(C)C ZINC000768546736 1045822407 /nfs/dbraw/zinc/82/24/07/1045822407.db2.gz DMKFEJRYWKXHGX-UHFFFAOYSA-N 1 1 342.277 4.253 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246592299 1045826101 /nfs/dbraw/zinc/82/61/01/1045826101.db2.gz FWQUCBYOAFRTJQ-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246592299 1045826103 /nfs/dbraw/zinc/82/61/03/1045826103.db2.gz FWQUCBYOAFRTJQ-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000769192082 1045885001 /nfs/dbraw/zinc/88/50/01/1045885001.db2.gz INWZVQQOGKOIOE-UHFFFAOYSA-N 1 1 341.476 4.061 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000769339443 1045929407 /nfs/dbraw/zinc/92/94/07/1045929407.db2.gz YYQDQSYGWINFMU-RXVVDRJESA-N 1 1 334.463 4.432 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1)C(C)C ZINC000153869967 1045932896 /nfs/dbraw/zinc/93/28/96/1045932896.db2.gz MEBZVNSJHNUUBR-QGZVFWFLSA-N 1 1 349.478 4.280 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000769405379 1045950382 /nfs/dbraw/zinc/95/03/82/1045950382.db2.gz USWDLHAUKXEUEG-INIZCTEOSA-N 1 1 338.426 4.324 20 30 EIEDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000769548691 1046015214 /nfs/dbraw/zinc/01/52/14/1046015214.db2.gz JMQYVMMPAONVCD-UYAOXDASSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000769548691 1046015226 /nfs/dbraw/zinc/01/52/26/1046015226.db2.gz JMQYVMMPAONVCD-UYAOXDASSA-N 1 1 337.442 4.163 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769549734 1046015947 /nfs/dbraw/zinc/01/59/47/1046015947.db2.gz UUYAHSRMXKQWGK-MSOLQXFVSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769549734 1046015961 /nfs/dbraw/zinc/01/59/61/1046015961.db2.gz UUYAHSRMXKQWGK-MSOLQXFVSA-N 1 1 326.827 4.317 20 30 EIEDMO N#CCc1c(F)cccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170337763 1046018531 /nfs/dbraw/zinc/01/85/31/1046018531.db2.gz XZHNWAXJWXHVSZ-LDLYASANSA-N 1 1 349.453 4.499 20 30 EIEDMO CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1O ZINC000769549397 1046019396 /nfs/dbraw/zinc/01/93/96/1046019396.db2.gz QOJAFWGQPZCCAJ-MOPGFXCFSA-N 1 1 336.435 4.063 20 30 EIEDMO CC[N@@H+](CCN1CCCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395723 1046027749 /nfs/dbraw/zinc/02/77/49/1046027749.db2.gz NLZAAUDADDSWST-UHFFFAOYSA-N 1 1 339.527 4.198 20 30 EIEDMO CCC[N@@H+](C1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395389 1046028166 /nfs/dbraw/zinc/02/81/66/1046028166.db2.gz ILXJEEOIYPXJBS-UHFFFAOYSA-N 1 1 326.484 4.282 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(Cl)nc(Cl)c3)sc2C1 ZINC001212089694 1046084578 /nfs/dbraw/zinc/08/45/78/1046084578.db2.gz JWFDMHMGJCPBMM-UHFFFAOYSA-N 1 1 339.251 4.053 20 30 EIEDMO C=CC[C@@H]1[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953415 1046107739 /nfs/dbraw/zinc/10/77/39/1046107739.db2.gz LYLBJUQWDSIHQR-ROUUACIJSA-N 1 1 328.456 4.079 20 30 EIEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952145 1046115919 /nfs/dbraw/zinc/11/59/19/1046115919.db2.gz YJLJXJFYNMODFS-SJORKVTESA-N 1 1 349.519 4.086 20 30 EIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399015 1046126575 /nfs/dbraw/zinc/12/65/75/1046126575.db2.gz YRLITQSQGUKFNS-UGSOOPFHSA-N 1 1 348.368 4.303 20 30 EIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399039 1046126774 /nfs/dbraw/zinc/12/67/74/1046126774.db2.gz ZTVDQWAEVGOGMB-SCLBCKFNSA-N 1 1 348.368 4.303 20 30 EIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399014 1046127481 /nfs/dbraw/zinc/12/74/81/1046127481.db2.gz YRLITQSQGUKFNS-SCLBCKFNSA-N 1 1 348.368 4.303 20 30 EIEDMO CCCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000763407065 1046133514 /nfs/dbraw/zinc/13/35/14/1046133514.db2.gz MIEBYOPHNQRLNR-APWZRJJASA-N 1 1 326.440 4.356 20 30 EIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763408058 1046133772 /nfs/dbraw/zinc/13/37/72/1046133772.db2.gz NZHRTZUMUTZCBI-VSKRKVRLSA-N 1 1 334.463 4.250 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406249 1046133919 /nfs/dbraw/zinc/13/39/19/1046133919.db2.gz IAQJTYRQEPWZRH-VBKZILBWSA-N 1 1 340.854 4.471 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)c(F)c1 ZINC000404248294 1046153386 /nfs/dbraw/zinc/15/33/86/1046153386.db2.gz IEPCFUCHRSETDJ-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cccc(Cl)n1 ZINC000793175555 1046164515 /nfs/dbraw/zinc/16/45/15/1046164515.db2.gz TVRLWFPLOIFTNA-AWEZNQCLSA-N 1 1 328.847 4.045 20 30 EIEDMO C[C@@H]1CC(N=Nc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000793180893 1046165448 /nfs/dbraw/zinc/16/54/48/1046165448.db2.gz DNCGXQXOAIHJMB-CQSZACIVSA-N 1 1 328.847 4.187 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000770293815 1046173294 /nfs/dbraw/zinc/17/32/94/1046173294.db2.gz YFXRTNUHMPAQQR-HKUYNNGSSA-N 1 1 343.492 4.401 20 30 EIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770353427 1046190370 /nfs/dbraw/zinc/19/03/70/1046190370.db2.gz SHHMRCKNVAYSPF-KFKAGJAMSA-N 1 1 330.472 4.003 20 30 EIEDMO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1OCc1ccccc1 ZINC000123655729 1046190631 /nfs/dbraw/zinc/19/06/31/1046190631.db2.gz HVATTYIQRCWSRR-UHFFFAOYSA-N 1 1 336.435 4.010 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)c1 ZINC000770388418 1046200840 /nfs/dbraw/zinc/20/08/40/1046200840.db2.gz AFAMPFNCZPGVHP-LJQANCHMSA-N 1 1 334.444 4.346 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)c1 ZINC000770388418 1046200856 /nfs/dbraw/zinc/20/08/56/1046200856.db2.gz AFAMPFNCZPGVHP-LJQANCHMSA-N 1 1 334.444 4.346 20 30 EIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000508678427 1046222755 /nfs/dbraw/zinc/22/27/55/1046222755.db2.gz NVZCOYVCLABYKD-UHFFFAOYSA-N 1 1 338.476 4.076 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cccc(F)c1 ZINC000916986580 1046525553 /nfs/dbraw/zinc/52/55/53/1046525553.db2.gz KTKZTFKINHCYBG-HNNXBMFYSA-N 1 1 325.836 4.262 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000771935354 1046528721 /nfs/dbraw/zinc/52/87/21/1046528721.db2.gz PHSBHXBKGNSTPA-UHFFFAOYSA-N 1 1 337.442 4.340 20 30 EIEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000772136814 1046572424 /nfs/dbraw/zinc/57/24/24/1046572424.db2.gz LFJVEZHKLOKQPS-QGZVFWFLSA-N 1 1 331.341 4.176 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)cc1 ZINC000917032900 1046573473 /nfs/dbraw/zinc/57/34/73/1046573473.db2.gz WOSSOGHQJLCMBJ-NRFANRHFSA-N 1 1 336.435 4.173 20 30 EIEDMO C=CCOc1ccccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976639 1046579896 /nfs/dbraw/zinc/57/98/96/1046579896.db2.gz MFJIYEIXMFRGFB-UHFFFAOYSA-N 1 1 338.495 4.381 20 30 EIEDMO C=CCOc1ccccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976639 1046579910 /nfs/dbraw/zinc/57/99/10/1046579910.db2.gz MFJIYEIXMFRGFB-UHFFFAOYSA-N 1 1 338.495 4.381 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000917063626 1046615426 /nfs/dbraw/zinc/61/54/26/1046615426.db2.gz CXLISSSDIDRONT-AWEZNQCLSA-N 1 1 330.378 4.298 20 30 EIEDMO CN(C)c1ccc(C[N@H+](Cc2cn3ccccc3c2C#N)C2CC2)cc1 ZINC000917074288 1046635746 /nfs/dbraw/zinc/63/57/46/1046635746.db2.gz VWMVVSLOLAWMQP-UHFFFAOYSA-N 1 1 344.462 4.042 20 30 EIEDMO CN(C)c1ccc(C[N@@H+](Cc2cn3ccccc3c2C#N)C2CC2)cc1 ZINC000917074288 1046635763 /nfs/dbraw/zinc/63/57/63/1046635763.db2.gz VWMVVSLOLAWMQP-UHFFFAOYSA-N 1 1 344.462 4.042 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)cc1OC ZINC000536667306 1046642844 /nfs/dbraw/zinc/64/28/44/1046642844.db2.gz WVCJMZWMLJHMHZ-DLBZAZTESA-N 1 1 335.513 4.366 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CCc3ccccc3)n2c1 ZINC000536672833 1046659111 /nfs/dbraw/zinc/65/91/11/1046659111.db2.gz ROVXQPNFQQHRSJ-FQEVSTJZSA-N 1 1 344.462 4.193 20 30 EIEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1OCc1ccccn1 ZINC000536711472 1046720366 /nfs/dbraw/zinc/72/03/66/1046720366.db2.gz ZAFFXWPTOGPUDO-INIZCTEOSA-N 1 1 349.478 4.402 20 30 EIEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1OCc1ccccn1 ZINC000536711472 1046720380 /nfs/dbraw/zinc/72/03/80/1046720380.db2.gz ZAFFXWPTOGPUDO-INIZCTEOSA-N 1 1 349.478 4.402 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459541561 1046763654 /nfs/dbraw/zinc/76/36/54/1046763654.db2.gz ZSCGLTNPFJNAKQ-HXUWFJFHSA-N 1 1 338.426 4.081 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588716 1046786491 /nfs/dbraw/zinc/78/64/91/1046786491.db2.gz HSYZOJSVYVPYEX-RHSMWYFYSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588716 1046786529 /nfs/dbraw/zinc/78/65/29/1046786529.db2.gz HSYZOJSVYVPYEX-RHSMWYFYSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588716 1046786547 /nfs/dbraw/zinc/78/65/47/1046786547.db2.gz HSYZOJSVYVPYEX-RHSMWYFYSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C(C)C ZINC000917168470 1046793961 /nfs/dbraw/zinc/79/39/61/1046793961.db2.gz SRXCZQQHNWZPTF-FQEVSTJZSA-N 1 1 344.499 4.035 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1OC ZINC000459658676 1046842992 /nfs/dbraw/zinc/84/29/92/1046842992.db2.gz YQQQQZVNUPTUBU-CYBMUJFWSA-N 1 1 344.480 4.056 20 30 EIEDMO C#CC[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCc2ccccc21 ZINC000917457410 1046897854 /nfs/dbraw/zinc/89/78/54/1046897854.db2.gz PYMMZLITAAQSNT-OAQYLSRUSA-N 1 1 328.415 4.063 20 30 EIEDMO CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497620354 1046898125 /nfs/dbraw/zinc/89/81/25/1046898125.db2.gz NKUUOLMYZDRORR-GOSISDBHSA-N 1 1 343.515 4.082 20 30 EIEDMO C=CCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787227532 1046968060 /nfs/dbraw/zinc/96/80/60/1046968060.db2.gz QPDIKXZDJGKALI-UHFFFAOYSA-N 1 1 335.354 4.108 20 30 EIEDMO CC(C)(C#N)CC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000537363602 1047155436 /nfs/dbraw/zinc/15/54/36/1047155436.db2.gz OUWDHKAONGNSOA-UHFFFAOYSA-N 1 1 345.490 4.314 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000788560908 1047224974 /nfs/dbraw/zinc/22/49/74/1047224974.db2.gz CIAPCOASDZOXOM-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO CSCc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897588645 1047319363 /nfs/dbraw/zinc/31/93/63/1047319363.db2.gz JGQZJMFCSCRVTB-UHFFFAOYSA-N 1 1 343.521 4.257 20 30 EIEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC001170094220 1047347576 /nfs/dbraw/zinc/34/75/76/1047347576.db2.gz HPJWDHDDUKOYBG-UHFFFAOYSA-N 1 1 332.216 4.224 20 30 EIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC001170094220 1047347593 /nfs/dbraw/zinc/34/75/93/1047347593.db2.gz HPJWDHDDUKOYBG-UHFFFAOYSA-N 1 1 332.216 4.224 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001168285544 1047605148 /nfs/dbraw/zinc/60/51/48/1047605148.db2.gz UZQHWNYZFKQALX-OFNKIYASSA-N 1 1 348.490 4.327 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3ccccc3Br)CC2)c1 ZINC000556411136 1047742790 /nfs/dbraw/zinc/74/27/90/1047742790.db2.gz YZQVUIGXKWIFIG-UHFFFAOYSA-N 1 1 327.225 4.100 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000763432450 1047754630 /nfs/dbraw/zinc/75/46/30/1047754630.db2.gz LCRPJMYKQBUVHS-UHFFFAOYSA-N 1 1 335.806 4.255 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000057873828 1047811878 /nfs/dbraw/zinc/81/18/78/1047811878.db2.gz VCXUUJFJKKDHHH-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC001170732178 1047877478 /nfs/dbraw/zinc/87/74/78/1047877478.db2.gz IESBXEOXHWUUOH-HXUWFJFHSA-N 1 1 338.838 4.181 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC001170732178 1047877479 /nfs/dbraw/zinc/87/74/79/1047877479.db2.gz IESBXEOXHWUUOH-HXUWFJFHSA-N 1 1 338.838 4.181 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC001170732177 1047877779 /nfs/dbraw/zinc/87/77/79/1047877779.db2.gz IESBXEOXHWUUOH-FQEVSTJZSA-N 1 1 338.838 4.181 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC001170732177 1047877785 /nfs/dbraw/zinc/87/77/85/1047877785.db2.gz IESBXEOXHWUUOH-FQEVSTJZSA-N 1 1 338.838 4.181 20 30 EIEDMO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000824522196 1047879406 /nfs/dbraw/zinc/87/94/06/1047879406.db2.gz SBSGRQSXXWWXFX-LJQANCHMSA-N 1 1 327.472 4.467 20 30 EIEDMO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2O1 ZINC001170733370 1047886200 /nfs/dbraw/zinc/88/62/00/1047886200.db2.gz RXKQFCNXLYQXDE-HNNXBMFYSA-N 1 1 345.364 4.340 20 30 EIEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2O1 ZINC001170733370 1047886203 /nfs/dbraw/zinc/88/62/03/1047886203.db2.gz RXKQFCNXLYQXDE-HNNXBMFYSA-N 1 1 345.364 4.340 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716171 1047909292 /nfs/dbraw/zinc/90/92/92/1047909292.db2.gz SRCMMLZMPDJHSA-UMVBOHGHSA-N 1 1 326.362 4.140 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001136974879 1048007699 /nfs/dbraw/zinc/00/76/99/1048007699.db2.gz QKUHYNQDAGVJNY-FQEVSTJZSA-N 1 1 345.446 4.391 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCCCC#N)C2)C1 ZINC000814673341 1048112044 /nfs/dbraw/zinc/11/20/44/1048112044.db2.gz IDXNPGABOCERQR-ZWKOTPCHSA-N 1 1 349.519 4.039 20 30 EIEDMO C[N@@H+](CCCc1ccc(Cl)cc1)CCOCc1ccc(C#N)cc1 ZINC001170769561 1048227975 /nfs/dbraw/zinc/22/79/75/1048227975.db2.gz RXGPDWUANNTCAF-UHFFFAOYSA-N 1 1 342.870 4.293 20 30 EIEDMO CCOc1ccc(NN=C(C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000814984594 1048289627 /nfs/dbraw/zinc/28/96/27/1048289627.db2.gz CVDZLYIXFHCISS-UHFFFAOYSA-N 1 1 334.423 4.416 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2cccc(OC)c2)c1O ZINC000919936814 1048318339 /nfs/dbraw/zinc/31/83/39/1048318339.db2.gz QYWAIRDIFWCHQD-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO CC[N@@H+](CCOCCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000815069354 1048320344 /nfs/dbraw/zinc/32/03/44/1048320344.db2.gz SSWHYOFLCXTOGC-FQEVSTJZSA-N 1 1 326.415 4.167 20 30 EIEDMO C#Cc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1 ZINC000809622332 1048439461 /nfs/dbraw/zinc/43/94/61/1048439461.db2.gz YSBUFPJIAAVKAA-UHFFFAOYSA-N 1 1 344.458 4.183 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000809705711 1048488176 /nfs/dbraw/zinc/48/81/76/1048488176.db2.gz XLAHRZBZGMJOAN-UHFFFAOYSA-N 1 1 344.478 4.247 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000809705711 1048488198 /nfs/dbraw/zinc/48/81/98/1048488198.db2.gz XLAHRZBZGMJOAN-UHFFFAOYSA-N 1 1 344.478 4.247 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cn1 ZINC001144262592 1048543281 /nfs/dbraw/zinc/54/32/81/1048543281.db2.gz CKCXTJXVXVFICD-KRWDZBQOSA-N 1 1 343.430 4.422 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175621 1048574873 /nfs/dbraw/zinc/57/48/73/1048574873.db2.gz YZKLFLJJKFJMJT-CFZWTVACSA-N 1 1 345.446 4.195 20 30 EIEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC(C)(C)C1 ZINC000810042913 1048606348 /nfs/dbraw/zinc/60/63/48/1048606348.db2.gz BVGZCRCBMNIUEH-INIZCTEOSA-N 1 1 336.863 4.022 20 30 EIEDMO [NH2+]=C(Nc1ccccc1-c1ncco1)c1ccc2cc(O)ccc2c1 ZINC001171184264 1048674553 /nfs/dbraw/zinc/67/45/53/1048674553.db2.gz HQHSHXRXABNYPV-UHFFFAOYSA-N 1 1 329.359 4.237 20 30 EIEDMO C[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCN(Cc2ccccc2)C1 ZINC000810238665 1048720898 /nfs/dbraw/zinc/72/08/98/1048720898.db2.gz RYTLXPPTPRJXNB-PKTZIBPZSA-N 1 1 345.490 4.047 20 30 EIEDMO C#Cc1ccc(C[N@H+]([C@H](C)c2ccccc2)[C@@H]2CN3CCC2CC3)cc1 ZINC001144578347 1048729304 /nfs/dbraw/zinc/72/93/04/1048729304.db2.gz BGHPIWWPQVQXBL-NTKDMRAZSA-N 1 1 344.502 4.325 20 30 EIEDMO C#Cc1ccc(CN([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001144578347 1048729315 /nfs/dbraw/zinc/72/93/15/1048729315.db2.gz BGHPIWWPQVQXBL-NTKDMRAZSA-N 1 1 344.502 4.325 20 30 EIEDMO C#Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733497 /nfs/dbraw/zinc/73/34/97/1048733497.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 1 1 344.502 4.278 20 30 EIEDMO C#Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733506 /nfs/dbraw/zinc/73/35/06/1048733506.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 1 1 344.502 4.278 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001171202328 1048771064 /nfs/dbraw/zinc/77/10/64/1048771064.db2.gz BKZNIQMMUMRMBP-MBSDFSHPSA-N 1 1 341.458 4.396 20 30 EIEDMO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000920945134 1048819661 /nfs/dbraw/zinc/81/96/61/1048819661.db2.gz QQKCTMKBFMOUFL-UMUMUWHJSA-N 1 1 346.858 4.166 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001171220995 1048856666 /nfs/dbraw/zinc/85/66/66/1048856666.db2.gz GVXLUXWXRUFLFI-IBGZPJMESA-N 1 1 347.506 4.086 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222086 1048858936 /nfs/dbraw/zinc/85/89/36/1048858936.db2.gz CQJYMCGRLJXPGG-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224234 1048859032 /nfs/dbraw/zinc/85/90/32/1048859032.db2.gz QCMTUJFTZGZZFV-FOIQADDNSA-N 1 1 340.467 4.418 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001171230805 1048869944 /nfs/dbraw/zinc/86/99/44/1048869944.db2.gz YGDJWTLABIORAB-QRWLVFNGSA-N 1 1 340.467 4.495 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817280655 1048925572 /nfs/dbraw/zinc/92/55/72/1048925572.db2.gz CCRMDJSIGWNLER-GFCCVEGCSA-N 1 1 346.780 4.407 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817280655 1048925589 /nfs/dbraw/zinc/92/55/89/1048925589.db2.gz CCRMDJSIGWNLER-GFCCVEGCSA-N 1 1 346.780 4.407 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000817364249 1048959036 /nfs/dbraw/zinc/95/90/36/1048959036.db2.gz FTDUPNXYVMWSEJ-HNNXBMFYSA-N 1 1 348.372 4.044 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000817364249 1048959053 /nfs/dbraw/zinc/95/90/53/1048959053.db2.gz FTDUPNXYVMWSEJ-HNNXBMFYSA-N 1 1 348.372 4.044 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412012 1048964415 /nfs/dbraw/zinc/96/44/15/1048964415.db2.gz BDDVNEYUHYWQNY-DZGCQCFKSA-N 1 1 326.362 4.142 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000847021510 1048981764 /nfs/dbraw/zinc/98/17/64/1048981764.db2.gz NMHPJFXKXUYHPB-CYBMUJFWSA-N 1 1 334.341 4.206 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000847021510 1048981777 /nfs/dbraw/zinc/98/17/77/1048981777.db2.gz NMHPJFXKXUYHPB-CYBMUJFWSA-N 1 1 334.341 4.206 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027845 1048983583 /nfs/dbraw/zinc/98/35/83/1048983583.db2.gz DFVILRHDTQRTKI-ZWKOTPCHSA-N 1 1 332.447 4.026 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170878662 1049040701 /nfs/dbraw/zinc/04/07/01/1049040701.db2.gz LOTGFFDYHYFLDW-KRWDZBQOSA-N 1 1 335.289 4.322 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCOCC)cc1)c1ccc(Cl)cc1 ZINC000811517613 1049103231 /nfs/dbraw/zinc/10/32/31/1049103231.db2.gz XRYHGQLLBBNWRD-LJQANCHMSA-N 1 1 329.827 4.177 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541395 1049143881 /nfs/dbraw/zinc/14/38/81/1049143881.db2.gz MULATULDULMYOJ-QGZVFWFLSA-N 1 1 326.827 4.080 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000772989986 1049305891 /nfs/dbraw/zinc/30/58/91/1049305891.db2.gz ZCPNFAJKUNMFAU-CYBMUJFWSA-N 1 1 349.352 4.290 20 30 EIEDMO CC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609771973 1049312696 /nfs/dbraw/zinc/31/26/96/1049312696.db2.gz LHQUEAXUOVQKFN-MRXNPFEDSA-N 1 1 347.890 4.099 20 30 EIEDMO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000811926951 1049321443 /nfs/dbraw/zinc/32/14/43/1049321443.db2.gz FYOLNUBXESNHEJ-ICSRJNTNSA-N 1 1 347.547 4.171 20 30 EIEDMO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000811926953 1049322850 /nfs/dbraw/zinc/32/28/50/1049322850.db2.gz FYOLNUBXESNHEJ-UYAOXDASSA-N 1 1 347.547 4.171 20 30 EIEDMO C=CCC1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254441 1049365290 /nfs/dbraw/zinc/36/52/90/1049365290.db2.gz OQHHCQDGJZBQFR-KDURUIRLSA-N 1 1 334.548 4.387 20 30 EIEDMO C#Cc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC001136283446 1049397048 /nfs/dbraw/zinc/39/70/48/1049397048.db2.gz AQVUUGYAPWBCHN-UHFFFAOYSA-N 1 1 343.430 4.288 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311424 1049424515 /nfs/dbraw/zinc/42/45/15/1049424515.db2.gz CADBNJLQKQMXQP-MRXNPFEDSA-N 1 1 341.398 4.489 20 30 EIEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001133257026 1049435219 /nfs/dbraw/zinc/43/52/19/1049435219.db2.gz IFJYMKBZRXOBLA-ICSRJNTNSA-N 1 1 328.500 4.102 20 30 EIEDMO CC[NH+](CC)Cc1cc(C(C)=NNc2ccccc2F)ccc1O ZINC000812460421 1049480484 /nfs/dbraw/zinc/48/04/84/1049480484.db2.gz SCADYMLHOZWUGQ-UHFFFAOYSA-N 1 1 329.419 4.209 20 30 EIEDMO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000348206583 1049495651 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EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCOc2ccc(C#N)cc2)cc1 ZINC001171484807 1049716206 /nfs/dbraw/zinc/71/62/06/1049716206.db2.gz RWPUGAKUADFFAZ-JOCHJYFZSA-N 1 1 347.462 4.372 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747844338 1049724231 /nfs/dbraw/zinc/72/42/31/1049724231.db2.gz SDKALZVTQVYEGF-OAHLLOKOSA-N 1 1 345.487 4.102 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C#N)CCc3ccccc3)c2C1 ZINC001136583192 1049758046 /nfs/dbraw/zinc/75/80/46/1049758046.db2.gz LYKJVYXVGYECRT-GOSISDBHSA-N 1 1 347.462 4.123 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C#N)CCc3ccccc3)c2C1 ZINC001136583192 1049758053 /nfs/dbraw/zinc/75/80/53/1049758053.db2.gz LYKJVYXVGYECRT-GOSISDBHSA-N 1 1 347.462 4.123 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ncsc2C1 ZINC001171724661 1049785027 /nfs/dbraw/zinc/78/50/27/1049785027.db2.gz YDOLVMPQLAPNKT-MRXNPFEDSA-N 1 1 343.471 4.313 20 30 EIEDMO CCCCCCCCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000822697002 1049787422 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COc1cccc([C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313564 1049875741 /nfs/dbraw/zinc/87/57/41/1049875741.db2.gz ZRWPWLPFLLBUJY-DYESRHJHSA-N 1 1 334.463 4.377 20 30 EIEDMO CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172311579 1049875981 /nfs/dbraw/zinc/87/59/81/1049875981.db2.gz VDWLIVAAUZIGBM-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1(C)CC1 ZINC000246130211 1049915732 /nfs/dbraw/zinc/91/57/32/1049915732.db2.gz MHURZZBLFKKMSK-LSDHHAIUSA-N 1 1 345.512 4.140 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000616750716 1049917484 /nfs/dbraw/zinc/91/74/84/1049917484.db2.gz KAHKIJHFUCDCKB-TZIWHRDSSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494960 1049922329 /nfs/dbraw/zinc/92/23/29/1049922329.db2.gz AFMDPHUYGXJIBI-XLIONFOSSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172510297 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PBHHUNIKNZMYGK-QKLQHJQFSA-N 1 1 349.519 4.180 20 30 EIEDMO CC1(C)CC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC(C)(C)O1 ZINC001172661324 1049959638 /nfs/dbraw/zinc/95/96/38/1049959638.db2.gz SHGBOJVHQWOYQN-LJQANCHMSA-N 1 1 342.483 4.138 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172675614 1049962738 /nfs/dbraw/zinc/96/27/38/1049962738.db2.gz IAYANEQCKVMNTB-JOCHJYFZSA-N 1 1 348.490 4.256 20 30 EIEDMO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000069337615 1050074543 /nfs/dbraw/zinc/07/45/43/1050074543.db2.gz PYSPWPBJALRLHB-QGZVFWFLSA-N 1 1 344.499 4.371 20 30 EIEDMO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172848102 1050185857 /nfs/dbraw/zinc/18/58/57/1050185857.db2.gz RQQPSDCFNPAFAL-CYBMUJFWSA-N 1 1 328.818 4.340 20 30 EIEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001173086715 1050300599 /nfs/dbraw/zinc/30/05/99/1050300599.db2.gz LGOJFQVQMWXMMY-UKRRQHHQSA-N 1 1 326.362 4.142 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173102267 1050303184 /nfs/dbraw/zinc/30/31/84/1050303184.db2.gz ISCRQKWYPCQXSJ-GRERDSQWSA-N 1 1 342.483 4.139 20 30 EIEDMO C#CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001173226570 1050357952 /nfs/dbraw/zinc/35/79/52/1050357952.db2.gz KKQVNLHGJZDHMQ-IIBYNOLFSA-N 1 1 334.419 4.149 20 30 EIEDMO Fc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000618451982 1050387553 /nfs/dbraw/zinc/38/75/53/1050387553.db2.gz REEQNJKNEFPIFK-PHIMTYICSA-N 1 1 329.259 4.388 20 30 EIEDMO Fc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000618451982 1050387567 /nfs/dbraw/zinc/38/75/67/1050387567.db2.gz REEQNJKNEFPIFK-PHIMTYICSA-N 1 1 329.259 4.388 20 30 EIEDMO C=CCOC1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173312402 1050405726 /nfs/dbraw/zinc/40/57/26/1050405726.db2.gz YZHNZRYYQPMZLD-HWELCPFYSA-N 1 1 342.527 4.002 20 30 EIEDMO N#CCCc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001178220789 1050415216 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20 30 EIEDMO C[C@]1(c2ccc(Cl)cc2)C[N@H+](C2CCC(CC#N)CC2)CCO1 ZINC001173337520 1050428280 /nfs/dbraw/zinc/42/82/80/1050428280.db2.gz MZXRJZFYOHCCJM-XUJQIHCRSA-N 1 1 332.875 4.360 20 30 EIEDMO N#CCC1CCC([N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001173341116 1050430711 /nfs/dbraw/zinc/43/07/11/1050430711.db2.gz PXQBPSCUSLFXTR-UHFFFAOYSA-N 1 1 337.511 4.057 20 30 EIEDMO C=C(C)CNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186946130 1050450943 /nfs/dbraw/zinc/45/09/43/1050450943.db2.gz BVAMIDGAACYVFS-RXVVDRJESA-N 1 1 348.490 4.179 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173595744 1050497263 /nfs/dbraw/zinc/49/72/63/1050497263.db2.gz VHZQZKITQWLYIU-XBCQCDMNSA-N 1 1 338.495 4.498 20 30 EIEDMO COc1ccc([C@H]2CSCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173599135 1050499284 /nfs/dbraw/zinc/49/92/84/1050499284.db2.gz GBNFWEXIUCUZIC-CUYAVPTFSA-N 1 1 330.497 4.258 20 30 EIEDMO C[C@@H]1CC([N@@H+](CCC#N)C2CCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682561 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347.462 4.020 20 30 EIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775144740 1050625460 /nfs/dbraw/zinc/62/54/60/1050625460.db2.gz USVAXPKTHUDLCH-LBPRGKRZSA-N 1 1 348.805 4.241 20 30 EIEDMO CC[N@H+](CCCNCc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC001179091683 1050628240 /nfs/dbraw/zinc/62/82/40/1050628240.db2.gz WPRGKDRHRCRGSV-UHFFFAOYSA-N 1 1 339.527 4.376 20 30 EIEDMO CC[N@@H+](CCCNCc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC001179091683 1050628256 /nfs/dbraw/zinc/62/82/56/1050628256.db2.gz WPRGKDRHRCRGSV-UHFFFAOYSA-N 1 1 339.527 4.376 20 30 EIEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000775184009 1050815683 /nfs/dbraw/zinc/81/56/83/1050815683.db2.gz RXCOMPLTXQEOID-NSHDSACASA-N 1 1 335.270 4.026 20 30 EIEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000775184009 1050815687 /nfs/dbraw/zinc/81/56/87/1050815687.db2.gz RXCOMPLTXQEOID-NSHDSACASA-N 1 1 335.270 4.026 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC001179914379 1050833157 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C#CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)[C@@H]1CCc2ccccc21 ZINC001180297060 1050959825 /nfs/dbraw/zinc/95/98/25/1050959825.db2.gz QPWNNFSRXHXJHA-HSZRJFAPSA-N 1 1 341.458 4.303 20 30 EIEDMO C#CC[N@H+](Cc1cnn(-c2ccccc2C)c1)[C@@H]1CCc2ccccc21 ZINC001180297060 1050959833 /nfs/dbraw/zinc/95/98/33/1050959833.db2.gz QPWNNFSRXHXJHA-HSZRJFAPSA-N 1 1 341.458 4.303 20 30 EIEDMO Cc1cc(C#N)c(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC001174447554 1050961677 /nfs/dbraw/zinc/96/16/77/1050961677.db2.gz UFJRGDFZIDIMCU-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000198432419 1050980143 /nfs/dbraw/zinc/98/01/43/1050980143.db2.gz DSMCSTVWUMPJAB-AWEZNQCLSA-N 1 1 345.493 4.019 20 30 EIEDMO C=CCCn1cc(C[NH+]2CCC(CCc3ccc(C)cc3)CC2)nn1 ZINC001180367679 1050984397 /nfs/dbraw/zinc/98/43/97/1050984397.db2.gz AUSIILBQIULMFS-UHFFFAOYSA-N 1 1 338.499 4.007 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643034 1051098001 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EIEDMO C#CC[C@@H]([NH2+]Cc1c2ccccc2oc1C(=O)OCC)c1ccccc1 ZINC000775401372 1051237728 /nfs/dbraw/zinc/23/77/28/1051237728.db2.gz SSHAPXTYESCHKO-LJQANCHMSA-N 1 1 347.414 4.464 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccccc1 ZINC000775401338 1051238212 /nfs/dbraw/zinc/23/82/12/1051238212.db2.gz ZJTULQOTZRBSMO-LJQANCHMSA-N 1 1 338.407 4.236 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nn1)c1ccccc1 ZINC000775402989 1051242715 /nfs/dbraw/zinc/24/27/15/1051242715.db2.gz DTOUXSWJMRCOAY-HXUWFJFHSA-N 1 1 329.403 4.123 20 30 EIEDMO CC#CCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001190751754 1051270107 /nfs/dbraw/zinc/27/01/07/1051270107.db2.gz DJNUFXWSCRJPSW-NRFANRHFSA-N 1 1 338.882 4.070 20 30 EIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194530 1051380562 /nfs/dbraw/zinc/38/05/62/1051380562.db2.gz UJPWZTMKGNAMLM-NRFANRHFSA-N 1 1 349.478 4.148 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001191214563 1051388871 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335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506734 1051647121 /nfs/dbraw/zinc/64/71/21/1051647121.db2.gz CWVYNSWTLUIHTB-NYVOZVTQSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506734 1051647127 /nfs/dbraw/zinc/64/71/27/1051647127.db2.gz CWVYNSWTLUIHTB-NYVOZVTQSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000775506734 1051647132 /nfs/dbraw/zinc/64/71/32/1051647132.db2.gz CWVYNSWTLUIHTB-NYVOZVTQSA-N 1 1 335.495 4.199 20 30 EIEDMO C[N@H+](Cc1ccc(F)c2ccccc12)C[C@@H](O)c1cccc(C#N)c1 ZINC001182765838 1051704816 /nfs/dbraw/zinc/70/48/16/1051704816.db2.gz XCBWEWACMXJVMD-OAQYLSRUSA-N 1 1 334.394 4.016 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001182806630 1051715647 /nfs/dbraw/zinc/71/56/47/1051715647.db2.gz WLFIRKQFSPVWKE-MRXNPFEDSA-N 1 1 329.875 4.373 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 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MORBYIQDWAPLLV-MRXNPFEDSA-N 1 1 328.481 4.494 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1)C(C)C ZINC000349427629 1052717969 /nfs/dbraw/zinc/71/79/69/1052717969.db2.gz BBCOKWQEJZTATH-UHFFFAOYSA-N 1 1 343.515 4.319 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180873112 1052817642 /nfs/dbraw/zinc/81/76/42/1052817642.db2.gz TWZVSGRSSJTWOY-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180873112 1052817643 /nfs/dbraw/zinc/81/76/43/1052817643.db2.gz TWZVSGRSSJTWOY-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(C#N)CC2)on1 ZINC000181040462 1052874194 /nfs/dbraw/zinc/87/41/94/1052874194.db2.gz UOFUZSAINIECEF-UHFFFAOYSA-N 1 1 347.418 4.239 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000850137528 1053078228 /nfs/dbraw/zinc/07/82/28/1053078228.db2.gz QBMZTSMSXVCASA-CQSZACIVSA-N 1 1 334.341 4.075 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000775610060 1053089601 /nfs/dbraw/zinc/08/96/01/1053089601.db2.gz LBMDEYRYLDALBZ-LJQANCHMSA-N 1 1 328.843 4.076 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001194920246 1053169965 /nfs/dbraw/zinc/16/99/65/1053169965.db2.gz ABJVJFBNZNYAAG-IBGZPJMESA-N 1 1 347.503 4.133 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001194920246 1053170030 /nfs/dbraw/zinc/17/00/30/1053170030.db2.gz ABJVJFBNZNYAAG-IBGZPJMESA-N 1 1 347.503 4.133 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775623773 1053190953 /nfs/dbraw/zinc/19/09/53/1053190953.db2.gz NQGMCTSONYHPCA-PMACEKPBSA-N 1 1 340.854 4.300 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775623773 1053190980 /nfs/dbraw/zinc/19/09/80/1053190980.db2.gz NQGMCTSONYHPCA-PMACEKPBSA-N 1 1 340.854 4.300 20 30 EIEDMO Cc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1C ZINC000794648895 1053244066 /nfs/dbraw/zinc/24/40/66/1053244066.db2.gz JWMTZSWIQZJIST-UHFFFAOYSA-N 1 1 328.843 4.491 20 30 EIEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679839 1053266742 /nfs/dbraw/zinc/26/67/42/1053266742.db2.gz XCTGGTVQLLKRET-ICSRJNTNSA-N 1 1 349.478 4.078 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000764746713 1053289351 /nfs/dbraw/zinc/28/93/51/1053289351.db2.gz QNXWWWLTYOZUAP-XXBNENTESA-N 1 1 348.490 4.186 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000383104429 1053293555 /nfs/dbraw/zinc/29/35/55/1053293555.db2.gz FVHLBNNLQLCURK-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1CCN(CCCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000383104429 1053293580 /nfs/dbraw/zinc/29/35/80/1053293580.db2.gz FVHLBNNLQLCURK-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1CCN(CCCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000383104429 1053293596 /nfs/dbraw/zinc/29/35/96/1053293596.db2.gz FVHLBNNLQLCURK-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO CC(C)c1[nH+]c(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccn21 ZINC000794716874 1053350941 /nfs/dbraw/zinc/35/09/41/1053350941.db2.gz WXTTZDOKJPIFFO-CMDGGOBGSA-N 1 1 347.374 4.201 20 30 EIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173550176 1053358975 /nfs/dbraw/zinc/35/89/75/1053358975.db2.gz SPLDNXZSCWGWHD-IBGZPJMESA-N 1 1 344.418 4.254 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)cc1 ZINC001195376426 1053393008 /nfs/dbraw/zinc/39/30/08/1053393008.db2.gz JPLKKXMIOSJELC-OAQYLSRUSA-N 1 1 346.474 4.470 20 30 EIEDMO C[C@@H](c1cccc2ccccc21)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877112 1053512641 /nfs/dbraw/zinc/51/26/41/1053512641.db2.gz RBWQGHVRRRUACG-KSFYIVLOSA-N 1 1 330.431 4.438 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC(C)(C)CC(C)(C)C1 ZINC001195963287 1053533541 /nfs/dbraw/zinc/53/35/41/1053533541.db2.gz JOTSSFASTSICFF-UHFFFAOYSA-N 1 1 341.499 4.424 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(Cl)cncc1Cl ZINC000865606398 1053556706 /nfs/dbraw/zinc/55/67/06/1053556706.db2.gz YSPHHPNRPFTIKJ-KRWDZBQOSA-N 1 1 332.234 4.427 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](CCCCC#N)C2)CC1 ZINC000852302381 1053565598 /nfs/dbraw/zinc/56/55/98/1053565598.db2.gz AGHSRVXCYXFBEA-SFHVURJKSA-N 1 1 349.519 4.039 20 30 EIEDMO CC1(C)CCC(C)(C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001196275123 1053629042 /nfs/dbraw/zinc/62/90/42/1053629042.db2.gz LINZIZYUHQNCSC-UHFFFAOYSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866229107 1053656073 /nfs/dbraw/zinc/65/60/73/1053656073.db2.gz NACMGKINDXCCBH-ZBEGNZNMSA-N 1 1 328.412 4.291 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCOc1ccc(C#N)cc1)CCC2 ZINC000111310750 1053673959 /nfs/dbraw/zinc/67/39/59/1053673959.db2.gz CRLHZXLQXWLJQH-GOSISDBHSA-N 1 1 341.480 4.102 20 30 EIEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1cc(Cl)cc(C#N)c1 ZINC001196479826 1053678382 /nfs/dbraw/zinc/67/83/82/1053678382.db2.gz RRMMVKMBUBWLSH-UHFFFAOYSA-N 1 1 344.842 4.121 20 30 EIEDMO C=C(Cl)C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000776721637 1053786658 /nfs/dbraw/zinc/78/66/58/1053786658.db2.gz CNACXIMXWIFJSA-QGZVFWFLSA-N 1 1 333.859 4.042 20 30 EIEDMO CCOCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196889516 1053792769 /nfs/dbraw/zinc/79/27/69/1053792769.db2.gz SZCVIBRRIQKQQT-NRFANRHFSA-N 1 1 338.426 4.223 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001197040902 1053823334 /nfs/dbraw/zinc/82/33/34/1053823334.db2.gz AAQXUJGVMIIWEE-GOSISDBHSA-N 1 1 338.426 4.474 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121937206 1053862096 /nfs/dbraw/zinc/86/20/96/1053862096.db2.gz NQTZFUBXFKFPNY-RTBURBONSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121937206 1053862102 /nfs/dbraw/zinc/86/21/02/1053862102.db2.gz NQTZFUBXFKFPNY-RTBURBONSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121955634 1053863795 /nfs/dbraw/zinc/86/37/95/1053863795.db2.gz ZNSDNWSCYQLILB-OALUTQOASA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121955634 1053863799 /nfs/dbraw/zinc/86/37/99/1053863799.db2.gz ZNSDNWSCYQLILB-OALUTQOASA-N 1 1 342.414 4.159 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(-c2ccncc2)cc1F ZINC000130747127 1053863970 /nfs/dbraw/zinc/86/39/70/1053863970.db2.gz HNLOZOKLJWQPPS-UHFFFAOYSA-N 1 1 331.394 4.391 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(-c2ccncc2)cc1F ZINC000130747127 1053863973 /nfs/dbraw/zinc/86/39/73/1053863973.db2.gz HNLOZOKLJWQPPS-UHFFFAOYSA-N 1 1 331.394 4.391 20 30 EIEDMO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1SC(F)(F)F ZINC000173587035 1053961853 /nfs/dbraw/zinc/96/18/53/1053961853.db2.gz AECVAUJLUBUUSW-UHFFFAOYSA-N 1 1 330.375 4.043 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC001197700976 1053975853 /nfs/dbraw/zinc/97/58/53/1053975853.db2.gz BMWITVSFPKOZNP-OAHLLOKOSA-N 1 1 325.374 4.210 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1 ZINC000113961279 1054034483 /nfs/dbraw/zinc/03/44/83/1054034483.db2.gz XZZJPWGIPGCSMW-INIZCTEOSA-N 1 1 343.496 4.411 20 30 EIEDMO C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533581 1054080977 /nfs/dbraw/zinc/08/09/77/1054080977.db2.gz GVIJTBWUPGTXRO-OAQYLSRUSA-N 1 1 333.479 4.141 20 30 EIEDMO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533581 1054080989 /nfs/dbraw/zinc/08/09/89/1054080989.db2.gz GVIJTBWUPGTXRO-OAQYLSRUSA-N 1 1 333.479 4.141 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405855 1054138545 /nfs/dbraw/zinc/13/85/45/1054138545.db2.gz BNWQNKUSJWGBAI-ROUUACIJSA-N 1 1 336.520 4.454 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001198406012 1054139725 /nfs/dbraw/zinc/13/97/25/1054139725.db2.gz CYGAHOUJOQFFDE-AWEZNQCLSA-N 1 1 336.863 4.026 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000123456183 1054149914 /nfs/dbraw/zinc/14/99/14/1054149914.db2.gz XIVKACYOGMYCSW-FQEVSTJZSA-N 1 1 348.471 4.356 20 30 EIEDMO N#Cc1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cs1 ZINC000921626498 1054182224 /nfs/dbraw/zinc/18/22/24/1054182224.db2.gz CDMSKEMLYIDASU-UHFFFAOYSA-N 1 1 339.508 4.286 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001198684485 1054233946 /nfs/dbraw/zinc/23/39/46/1054233946.db2.gz BLMZMPGARDPJNP-QZTJIDSGSA-N 1 1 337.385 4.090 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001198684486 1054234594 /nfs/dbraw/zinc/23/45/94/1054234594.db2.gz BLMZMPGARDPJNP-ROUUACIJSA-N 1 1 337.385 4.090 20 30 EIEDMO C=CCCCC[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837700 1054286098 /nfs/dbraw/zinc/28/60/98/1054286098.db2.gz PMBHOUFJYKGRQR-PXNSSMCTSA-N 1 1 336.520 4.360 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011083 1054395606 /nfs/dbraw/zinc/39/56/06/1054395606.db2.gz QAULFMWYVFEMIS-OAQYLSRUSA-N 1 1 347.462 4.183 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872129547 1054403878 /nfs/dbraw/zinc/40/38/78/1054403878.db2.gz CINHVYZWCJFJQI-MNOVXSKESA-N 1 1 335.329 4.089 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045974 1054408133 /nfs/dbraw/zinc/40/81/33/1054408133.db2.gz FDZXENCPTBJEPU-QRWLVFNGSA-N 1 1 333.435 4.045 20 30 EIEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011865 1054444367 /nfs/dbraw/zinc/44/43/67/1054444367.db2.gz BYBWBDVSLGAMHI-PBHICJAKSA-N 1 1 339.405 4.199 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(F)c1OC(F)F ZINC001168580564 1054480866 /nfs/dbraw/zinc/48/08/66/1054480866.db2.gz PCICADXSHVVREW-UHFFFAOYSA-N 1 1 325.330 4.251 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC ZINC000105478112 1054525918 /nfs/dbraw/zinc/52/59/18/1054525918.db2.gz QJZZUCZUNGZKDM-UHFFFAOYSA-N 1 1 333.378 4.000 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(C)cs1 ZINC000105503229 1054530971 /nfs/dbraw/zinc/53/09/71/1054530971.db2.gz WTBUTQMEYJYEOK-KRWDZBQOSA-N 1 1 329.469 4.375 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000859162275 1054635812 /nfs/dbraw/zinc/63/58/12/1054635812.db2.gz XRKABBMBGYMLEX-MSOLQXFVSA-N 1 1 326.465 4.016 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000859908754 1054748317 /nfs/dbraw/zinc/74/83/17/1054748317.db2.gz PISGTEOKOWKQDD-UHFFFAOYSA-N 1 1 346.352 4.166 20 30 EIEDMO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(O)cc1F ZINC001201477005 1054829120 /nfs/dbraw/zinc/82/91/20/1054829120.db2.gz AJTFJVACJBQTIA-MSOLQXFVSA-N 1 1 349.409 4.136 20 30 EIEDMO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(O)cc1F ZINC001201477005 1054829123 /nfs/dbraw/zinc/82/91/23/1054829123.db2.gz AJTFJVACJBQTIA-MSOLQXFVSA-N 1 1 349.409 4.136 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201798316 1054909307 /nfs/dbraw/zinc/90/93/07/1054909307.db2.gz UXNMGDDFHYZRCV-SFHVURJKSA-N 1 1 329.488 4.469 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001201813189 1054910904 /nfs/dbraw/zinc/91/09/04/1054910904.db2.gz BXRQEADBASAMGN-LJQANCHMSA-N 1 1 333.520 4.102 20 30 EIEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001201814847 1054912249 /nfs/dbraw/zinc/91/22/49/1054912249.db2.gz SPMXUCZXNHMIGX-HDICACEKSA-N 1 1 334.529 4.112 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001201776476 1054913827 /nfs/dbraw/zinc/91/38/27/1054913827.db2.gz DIRHQJPGKJTBHT-FGZHOGPDSA-N 1 1 342.527 4.221 20 30 EIEDMO CCCCCCC[N@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001201776610 1054914980 /nfs/dbraw/zinc/91/49/80/1054914980.db2.gz HAHUBJVETXTGHI-UHFFFAOYSA-N 1 1 342.487 4.033 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001201776479 1054915946 /nfs/dbraw/zinc/91/59/46/1054915946.db2.gz DIRHQJPGKJTBHT-YADHBBJMSA-N 1 1 342.527 4.221 20 30 EIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876936007 1054986210 /nfs/dbraw/zinc/98/62/10/1054986210.db2.gz GNAFQTZVTBNHCP-ZDUSSCGKSA-N 1 1 329.831 4.245 20 30 EIEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cc(C4CC4)no3)c2)s1 ZINC000877049834 1055008521 /nfs/dbraw/zinc/00/85/21/1055008521.db2.gz XHEGAUMEEUJIKR-UHFFFAOYSA-N 1 1 335.432 4.442 20 30 EIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001137119606 1055042562 /nfs/dbraw/zinc/04/25/62/1055042562.db2.gz ZAMRUATWAVJDAO-OAQYLSRUSA-N 1 1 336.435 4.325 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552343 1055078930 /nfs/dbraw/zinc/07/89/30/1055078930.db2.gz CRTXCEMHSDJAIS-SQNIBIBYSA-N 1 1 349.519 4.038 20 30 EIEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(OCC#N)cc1 ZINC001137124037 1055088916 /nfs/dbraw/zinc/08/89/16/1055088916.db2.gz NFUQJGDPYCITOB-UHFFFAOYSA-N 1 1 348.368 4.282 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)cc1 ZINC001137124223 1055091493 /nfs/dbraw/zinc/09/14/93/1055091493.db2.gz WZWBNQBVCBDESB-FQEVSTJZSA-N 1 1 334.463 4.434 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822556 1055127216 /nfs/dbraw/zinc/12/72/16/1055127216.db2.gz RJWHLRDHZGNACD-XJKSGUPXSA-N 1 1 340.389 4.029 20 30 EIEDMO C=CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877907191 1055149017 /nfs/dbraw/zinc/14/90/17/1055149017.db2.gz RULJMNQDFYZXIR-FQEVSTJZSA-N 1 1 338.476 4.177 20 30 EIEDMO C=CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877907191 1055149024 /nfs/dbraw/zinc/14/90/24/1055149024.db2.gz RULJMNQDFYZXIR-FQEVSTJZSA-N 1 1 338.476 4.177 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](CC(C)C)C1CCCC1)c1ccccc1 ZINC000878009680 1055173428 /nfs/dbraw/zinc/17/34/28/1055173428.db2.gz BFWYNBDPTBYVCH-NRFANRHFSA-N 1 1 326.484 4.328 20 30 EIEDMO C[C@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1 ZINC000794497764 1055179647 /nfs/dbraw/zinc/17/96/47/1055179647.db2.gz PVUQXYYOXKZYTI-ZDUSSCGKSA-N 1 1 335.373 4.456 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C/C(C)=C\c1ccccc1)c1ccccc1 ZINC000878509636 1055327596 /nfs/dbraw/zinc/32/75/96/1055327596.db2.gz SEXFMIHGHOLRNN-SSZMPNMXSA-N 1 1 346.474 4.462 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1Cl ZINC000542708590 1055853326 /nfs/dbraw/zinc/85/33/26/1055853326.db2.gz GQGHCYIQYHCEML-OAHLLOKOSA-N 1 1 335.875 4.296 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1nc(C(F)(F)F)ccc1C#N ZINC000301300303 1055919905 /nfs/dbraw/zinc/91/99/05/1055919905.db2.gz QRGNNDAOCXRRKU-ZDUSSCGKSA-N 1 1 340.393 4.039 20 30 EIEDMO CC(=O)c1ccc(C#N)c(NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000302045712 1056011647 /nfs/dbraw/zinc/01/16/47/1056011647.db2.gz UMOZEJPKWNTGAC-UHFFFAOYSA-N 1 1 335.451 4.213 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061522 1056012665 /nfs/dbraw/zinc/01/26/65/1056012665.db2.gz RHUWWILXFWBYEY-QZTJIDSGSA-N 1 1 348.494 4.197 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)C1 ZINC000302824343 1056078483 /nfs/dbraw/zinc/07/84/83/1056078483.db2.gz GGOKNEBQHHZJMX-KRWDZBQOSA-N 1 1 344.462 4.274 20 30 EIEDMO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)c(F)c1 ZINC000403979253 1056166836 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CC[N@H+]1CCC(N=Nc2nc(Cl)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000741457820 1058217753 /nfs/dbraw/zinc/21/77/53/1058217753.db2.gz RCZXBDVCBZBXTM-QMMMGPOBSA-N 1 1 335.666 4.171 20 30 EIEDMO C=CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1CCCCC1 ZINC000741786814 1058371619 /nfs/dbraw/zinc/37/16/19/1058371619.db2.gz FJGAMXFHXLXOOH-LJQANCHMSA-N 1 1 328.456 4.080 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000741791994 1058373941 /nfs/dbraw/zinc/37/39/41/1058373941.db2.gz WFGXMRLPLZXJKX-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745707314 1059880807 /nfs/dbraw/zinc/88/08/07/1059880807.db2.gz ZLYAYXZHPUXNGX-KSZLIROESA-N 1 1 325.541 4.107 20 30 EIEDMO CC[N@H+](Cc1ccc(C)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746026919 1059969311 /nfs/dbraw/zinc/96/93/11/1059969311.db2.gz UMQOTSAPNVBHDN-UHFFFAOYSA-N 1 1 330.435 4.210 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746026225 1059969984 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EIEDMO N#CC1(CCC[N@H+]2CCC[C@H]2/C=C/c2cccs2)CCOCC1 ZINC000375622560 1020997749 /nfs/dbraw/zinc/99/77/49/1020997749.db2.gz BMCUAMZDBBDCPY-LXXRFIIISA-N 1 1 330.497 4.326 20 30 EIEDMO CC1CCC([N@@H+](Cc2ccc3c(c2)OCO3)CC2(C#N)CC2)CC1 ZINC001167309524 1021017721 /nfs/dbraw/zinc/01/77/21/1021017721.db2.gz DTISSIZUZHIUKZ-UHFFFAOYSA-N 1 1 326.440 4.100 20 30 EIEDMO N#Cc1csc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000177692846 1021456259 /nfs/dbraw/zinc/45/62/59/1021456259.db2.gz NHYYFNPEROWAJF-UHFFFAOYSA-N 1 1 339.508 4.286 20 30 EIEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000548987975 1021708775 /nfs/dbraw/zinc/70/87/75/1021708775.db2.gz XELUQGQRWUNSJR-CQSZACIVSA-N 1 1 342.874 4.211 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089878 1021709972 /nfs/dbraw/zinc/70/99/72/1021709972.db2.gz YEOQGOVVJPIXQZ-MRXNPFEDSA-N 1 1 342.446 4.078 20 30 EIEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000580338534 1021773389 /nfs/dbraw/zinc/77/33/89/1021773389.db2.gz FTAVYOVZZKDKGE-HNNXBMFYSA-N 1 1 339.386 4.449 20 30 EIEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000580648413 1021804653 /nfs/dbraw/zinc/80/46/53/1021804653.db2.gz HVDSZNLJGNBVFM-SFHVURJKSA-N 1 1 345.349 4.232 20 30 EIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000581337312 1021844019 /nfs/dbraw/zinc/84/40/19/1021844019.db2.gz FPWAQHNXUSQDGA-JOCHJYFZSA-N 1 1 344.462 4.150 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000180163340 1022091874 /nfs/dbraw/zinc/09/18/74/1022091874.db2.gz BJGBDUVHTLHEBM-ZDUSSCGKSA-N 1 1 343.521 4.335 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1C)c1ccc(F)c(F)c1 ZINC000187792480 1022113916 /nfs/dbraw/zinc/11/39/16/1022113916.db2.gz QXWXAXMAEFYJJR-FQEVSTJZSA-N 1 1 344.405 4.427 20 30 EIEDMO N#Cc1csc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380153352 1022355001 /nfs/dbraw/zinc/35/50/01/1022355001.db2.gz SLOUPGMFNBYBDZ-GOSISDBHSA-N 1 1 339.508 4.012 20 30 EIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000481118646 1022478012 /nfs/dbraw/zinc/47/80/12/1022478012.db2.gz PYWUBBPIPJFWPF-LBPRGKRZSA-N 1 1 341.318 4.284 20 30 EIEDMO C=C[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000533912701 1022600148 /nfs/dbraw/zinc/60/01/48/1022600148.db2.gz VQNFMTITGKHAQI-IRLDBZIGSA-N 1 1 348.490 4.127 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c(F)c1 ZINC000177857033 1022674584 /nfs/dbraw/zinc/67/45/84/1022674584.db2.gz MRQOHBLDBSHGGP-KRWDZBQOSA-N 1 1 330.790 4.354 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(F)cc2O1 ZINC000177858652 1022678152 /nfs/dbraw/zinc/67/81/52/1022678152.db2.gz ICVJOPIKWDJASO-QGZVFWFLSA-N 1 1 328.362 4.228 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(Br)c1 ZINC000181125117 1022891830 /nfs/dbraw/zinc/89/18/30/1022891830.db2.gz QCGTWCGHDJUOLT-UHFFFAOYSA-N 1 1 347.178 4.095 20 30 EIEDMO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccc(C#N)cc1 ZINC000177986258 1023107606 /nfs/dbraw/zinc/10/76/06/1023107606.db2.gz ZSIAGUDIAKLVLH-INIZCTEOSA-N 1 1 335.234 4.030 20 30 EIEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccc(C#N)cc1 ZINC000177986258 1023107614 /nfs/dbraw/zinc/10/76/14/1023107614.db2.gz ZSIAGUDIAKLVLH-INIZCTEOSA-N 1 1 335.234 4.030 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1cccc(C#N)c1 ZINC000189767714 1023143193 /nfs/dbraw/zinc/14/31/93/1023143193.db2.gz UFKFTQPWYUOBJM-KRWDZBQOSA-N 1 1 335.451 4.278 20 30 EIEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c1 ZINC000187412783 1023195266 /nfs/dbraw/zinc/19/52/66/1023195266.db2.gz DHXQPJABSIHPHV-GFCCVEGCSA-N 1 1 327.815 4.021 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001167461230 1023206647 /nfs/dbraw/zinc/20/66/47/1023206647.db2.gz CHXBWRNJFMYHBA-CYBMUJFWSA-N 1 1 326.843 4.484 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001167461739 1023213581 /nfs/dbraw/zinc/21/35/81/1023213581.db2.gz QKOIULWHJPBQIU-UHFFFAOYSA-N 1 1 329.444 4.232 20 30 EIEDMO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000362569810 1023470529 /nfs/dbraw/zinc/47/05/29/1023470529.db2.gz PBXUBOQCFYJPAK-XHDPSFHLSA-N 1 1 338.224 4.072 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(C(F)(F)F)c1 ZINC000418098273 1023530642 /nfs/dbraw/zinc/53/06/42/1023530642.db2.gz XSYAWTHSKCQOME-UHFFFAOYSA-N 1 1 338.373 4.111 20 30 EIEDMO CC(C)(C)c1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418153993 1023570809 /nfs/dbraw/zinc/57/08/09/1023570809.db2.gz ZJPPSOHFYCFUHT-INIZCTEOSA-N 1 1 325.481 4.479 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@@H]3c3ccccc3)n2c1 ZINC000510450032 1023596926 /nfs/dbraw/zinc/59/69/26/1023596926.db2.gz QNKXLMITBZVKHH-HXUWFJFHSA-N 1 1 330.435 4.323 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728706282 1023656662 /nfs/dbraw/zinc/65/66/62/1023656662.db2.gz ODISEICHVUTJET-UHFFFAOYSA-N 1 1 348.425 4.431 20 30 EIEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000644803234 1023736031 /nfs/dbraw/zinc/73/60/31/1023736031.db2.gz KRJRIIYMVGIPLL-XUVXKRRUSA-N 1 1 340.511 4.006 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178973 1023780865 /nfs/dbraw/zinc/78/08/65/1023780865.db2.gz YAYHZWGQIVREAZ-FGSXEWAUSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178973 1023780869 /nfs/dbraw/zinc/78/08/69/1023780869.db2.gz YAYHZWGQIVREAZ-FGSXEWAUSA-N 1 1 333.479 4.262 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2cncn2)cc1 ZINC000162790659 1023819798 /nfs/dbraw/zinc/81/97/98/1023819798.db2.gz PAOUGMNJOWWOTK-UHFFFAOYSA-N 1 1 344.871 4.170 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2cncn2)cc1 ZINC000162790659 1023819800 /nfs/dbraw/zinc/81/98/00/1023819800.db2.gz PAOUGMNJOWWOTK-UHFFFAOYSA-N 1 1 344.871 4.170 20 30 EIEDMO N#Cc1c(Cl)cccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000511683816 1023829882 /nfs/dbraw/zinc/82/98/82/1023829882.db2.gz UTBDVOASOLCTNZ-VMPITWQZSA-N 1 1 337.854 4.047 20 30 EIEDMO CCC[N@@H+](CCCCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000198681054 1024002496 /nfs/dbraw/zinc/00/24/96/1024002496.db2.gz FVOFLXKXRBOJQR-UHFFFAOYSA-N 1 1 342.270 4.338 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)o1 ZINC000093015142 1024041168 /nfs/dbraw/zinc/04/11/68/1024041168.db2.gz YIEKSLBWFCJIDH-UHFFFAOYSA-N 1 1 346.430 4.125 20 30 EIEDMO CC(C)c1ccc2c(c1)C[N@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000595659276 1024293599 /nfs/dbraw/zinc/29/35/99/1024293599.db2.gz ZSQZPCVCLCNNHY-UHFFFAOYSA-N 1 1 326.484 4.269 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(OC(F)F)c1 ZINC000610613639 1024320196 /nfs/dbraw/zinc/32/01/96/1024320196.db2.gz WDDOWHBNAXDNAJ-KRWDZBQOSA-N 1 1 344.361 4.202 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(OC(F)F)c1 ZINC000610613639 1024320213 /nfs/dbraw/zinc/32/02/13/1024320213.db2.gz WDDOWHBNAXDNAJ-KRWDZBQOSA-N 1 1 344.361 4.202 20 30 EIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093559101 1024586403 /nfs/dbraw/zinc/58/64/03/1024586403.db2.gz KPQICDHPDHZIOM-GOSISDBHSA-N 1 1 334.423 4.225 20 30 EIEDMO C[N@@H+](CCC(C)(C)C#N)CC1(c2ccc(Br)cc2)CC1 ZINC000535663452 1024661643 /nfs/dbraw/zinc/66/16/43/1024661643.db2.gz BFXCBIBDIPHTFE-UHFFFAOYSA-N 1 1 335.289 4.352 20 30 EIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000473156620 1024666643 /nfs/dbraw/zinc/66/66/43/1024666643.db2.gz COSGVFJDNZDZRQ-UHFFFAOYSA-N 1 1 337.854 4.103 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C[C@H](C)C#N ZINC000091983797 1024710226 /nfs/dbraw/zinc/71/02/26/1024710226.db2.gz GPRDUCTVZSKQJQ-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C[C@H](C)C#N ZINC000091983797 1024710246 /nfs/dbraw/zinc/71/02/46/1024710246.db2.gz GPRDUCTVZSKQJQ-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO CC(C)(C#N)c1ccccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000487372319 1024818799 /nfs/dbraw/zinc/81/87/99/1024818799.db2.gz ACMYMPWLZKRQSM-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000487372319 1024818800 /nfs/dbraw/zinc/81/88/00/1024818800.db2.gz ACMYMPWLZKRQSM-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000487372319 1024818807 /nfs/dbraw/zinc/81/88/07/1024818807.db2.gz ACMYMPWLZKRQSM-UHFFFAOYSA-N 1 1 347.506 4.196 20 30 EIEDMO Cc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1C ZINC000341865237 1024837446 /nfs/dbraw/zinc/83/74/46/1024837446.db2.gz FDCBQQWEYNAOHE-OAHLLOKOSA-N 1 1 332.407 4.076 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000093872325 1024897017 /nfs/dbraw/zinc/89/70/17/1024897017.db2.gz KQJNHHLXFQERAR-RTWAWAEBSA-N 1 1 330.431 4.234 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000093872325 1024897020 /nfs/dbraw/zinc/89/70/20/1024897020.db2.gz KQJNHHLXFQERAR-RTWAWAEBSA-N 1 1 330.431 4.234 20 30 EIEDMO C=CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000188306533 1024934641 /nfs/dbraw/zinc/93/46/41/1024934641.db2.gz TWUHJJQEVWIHED-QUCCMNQESA-N 1 1 328.500 4.117 20 30 EIEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567994936 1024962185 /nfs/dbraw/zinc/96/21/85/1024962185.db2.gz YWGJJOQVMFMWDP-KRWDZBQOSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567994936 1024962195 /nfs/dbraw/zinc/96/21/95/1024962195.db2.gz YWGJJOQVMFMWDP-KRWDZBQOSA-N 1 1 339.395 4.058 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c(F)c1 ZINC000610812863 1025021732 /nfs/dbraw/zinc/02/17/32/1025021732.db2.gz YGRJKDCTAALRRV-KRWDZBQOSA-N 1 1 330.790 4.354 20 30 EIEDMO CSc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1C#N ZINC001207548420 1025082955 /nfs/dbraw/zinc/08/29/55/1025082955.db2.gz FFKFUYJJGOQWAU-UHFFFAOYSA-N 1 1 336.819 4.068 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)ccn1 ZINC000610991605 1025215323 /nfs/dbraw/zinc/21/53/23/1025215323.db2.gz OLJHSAYLAJVDAX-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)ccn1 ZINC000610991605 1025215335 /nfs/dbraw/zinc/21/53/35/1025215335.db2.gz OLJHSAYLAJVDAX-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000150852628 1025219881 /nfs/dbraw/zinc/21/98/81/1025219881.db2.gz RETYONIMDPHWBN-FUHWJXTLSA-N 1 1 332.513 4.016 20 30 EIEDMO C=C[C@H](CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181549610 1025240664 /nfs/dbraw/zinc/24/06/64/1025240664.db2.gz VUIXTNLYDGTNFH-GGPKGHCWSA-N 1 1 340.511 4.116 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cccc(NCC(C)(C)CCC#N)c2)C[C@H](C)O1 ZINC000151179449 1025271313 /nfs/dbraw/zinc/27/13/13/1025271313.db2.gz PEQLSWZFRBWART-CALCHBBNSA-N 1 1 329.488 4.038 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000236686226 1025277671 /nfs/dbraw/zinc/27/76/71/1025277671.db2.gz FEDLRZHTVLJZOW-HSZRJFAPSA-N 1 1 348.490 4.015 20 30 EIEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500914 1025358157 /nfs/dbraw/zinc/35/81/57/1025358157.db2.gz XQDLOEFKYUHWRD-GDBMZVCRSA-N 1 1 347.890 4.016 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 ZINC000105423696 1025363651 /nfs/dbraw/zinc/36/36/51/1025363651.db2.gz CBAQVDBZMLKRDI-UHFFFAOYSA-N 1 1 333.863 4.195 20 30 EIEDMO Cc1[nH+]c(C=NNc2ccc(Br)cc2C)c2ccccn12 ZINC000728433144 1025395332 /nfs/dbraw/zinc/39/53/32/1025395332.db2.gz UGOZFEGNDMNGAK-UHFFFAOYSA-N 1 1 343.228 4.160 20 30 EIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1csc2ccccc12 ZINC000071955816 1025856977 /nfs/dbraw/zinc/85/69/77/1025856977.db2.gz DYKHMGMSWZVXCC-CQSZACIVSA-N 1 1 349.459 4.232 20 30 EIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1csc2ccccc12 ZINC000071955816 1025856986 /nfs/dbraw/zinc/85/69/86/1025856986.db2.gz DYKHMGMSWZVXCC-CQSZACIVSA-N 1 1 349.459 4.232 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440403637 1025860050 /nfs/dbraw/zinc/86/00/50/1025860050.db2.gz GCYGJDREMGOCIM-CQSZACIVSA-N 1 1 349.352 4.335 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)F)c(F)c1 ZINC000894412816 1025883511 /nfs/dbraw/zinc/88/35/11/1025883511.db2.gz LWUAZYBPGLBMBN-UHFFFAOYSA-N 1 1 339.357 4.427 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)F)c(F)c1 ZINC000894412816 1025883523 /nfs/dbraw/zinc/88/35/23/1025883523.db2.gz LWUAZYBPGLBMBN-UHFFFAOYSA-N 1 1 339.357 4.427 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1ncc(C#N)cn1)[C@H]1CCC[C@@H](C)C1 ZINC000582052784 1026036940 /nfs/dbraw/zinc/03/69/40/1026036940.db2.gz SJCPXQCBXIEEHK-FYINFDKHSA-N 1 1 334.467 4.314 20 30 EIEDMO N#CC1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000277499715 1026266778 /nfs/dbraw/zinc/26/67/78/1026266778.db2.gz PGKUUGGKATXPOW-UHFFFAOYSA-N 1 1 329.241 4.338 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCCC3(CCCC3)C2)c(-c2ccncc2)n1 ZINC000582159633 1026282738 /nfs/dbraw/zinc/28/27/38/1026282738.db2.gz DPAMCMWNPHJFGZ-UHFFFAOYSA-N 1 1 349.482 4.015 20 30 EIEDMO C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593924 1026419706 /nfs/dbraw/zinc/41/97/06/1026419706.db2.gz WJYSGCPGBHGBNL-QPXQOZNCSA-N 1 1 347.506 4.365 20 30 EIEDMO N#CCCCC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791998 1026444670 /nfs/dbraw/zinc/44/46/70/1026444670.db2.gz JMFPVPXQKWCHGL-SFHVURJKSA-N 1 1 326.419 4.437 20 30 EIEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000432559011 1026525589 /nfs/dbraw/zinc/52/55/89/1026525589.db2.gz QFSMGPPHUKJZTF-RDJZCZTQSA-N 1 1 349.544 4.033 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1F ZINC000512287546 1026655498 /nfs/dbraw/zinc/65/54/98/1026655498.db2.gz IJUJHXKXUSBYPH-ZDUSSCGKSA-N 1 1 327.403 4.120 20 30 EIEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000119851913 1026701360 /nfs/dbraw/zinc/70/13/60/1026701360.db2.gz YRAVOUJURYDCNE-OAHLLOKOSA-N 1 1 334.423 4.433 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@](C)(CC)c2nccs2)cc(OC)c1O ZINC000152612040 1026722085 /nfs/dbraw/zinc/72/20/85/1026722085.db2.gz DBBOZSSHMQYELU-SFHVURJKSA-N 1 1 332.469 4.001 20 30 EIEDMO CC[C@@](C)(C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000507488409 1026815230 /nfs/dbraw/zinc/81/52/30/1026815230.db2.gz UUFXCHZQIANPGA-NRFANRHFSA-N 1 1 341.499 4.007 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000185476093 1027264300 /nfs/dbraw/zinc/26/43/00/1027264300.db2.gz CPRUKRPVFIIHGQ-HNNXBMFYSA-N 1 1 348.475 4.051 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C ZINC000441272427 1027414108 /nfs/dbraw/zinc/41/41/08/1027414108.db2.gz UTICBWHYXKBOKW-UHFFFAOYSA-N 1 1 342.508 4.343 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C ZINC000441272427 1027414125 /nfs/dbraw/zinc/41/41/25/1027414125.db2.gz UTICBWHYXKBOKW-UHFFFAOYSA-N 1 1 342.508 4.343 20 30 EIEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000329156558 1027614267 /nfs/dbraw/zinc/61/42/67/1027614267.db2.gz VSBCDZCKJUFZCQ-CABCVRRESA-N 1 1 346.471 4.192 20 30 EIEDMO COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1C#N ZINC000153571757 1027643623 /nfs/dbraw/zinc/64/36/23/1027643623.db2.gz GCLATVSAAQKIIP-QFIPXVFZSA-N 1 1 343.430 4.150 20 30 EIEDMO Cc1noc(C)c1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329414320 1027768805 /nfs/dbraw/zinc/76/88/05/1027768805.db2.gz COJWKDQBVJKMMZ-HNNXBMFYSA-N 1 1 342.443 4.386 20 30 EIEDMO Cc1cc(C)c(NC(=O)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000329425736 1027774154 /nfs/dbraw/zinc/77/41/54/1027774154.db2.gz GWEDANTYKIXBOE-KRWDZBQOSA-N 1 1 345.487 4.421 20 30 EIEDMO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328619031 1027781550 /nfs/dbraw/zinc/78/15/50/1027781550.db2.gz VPEOAALKULWGMK-HLLBOEOZSA-N 1 1 335.492 4.082 20 30 EIEDMO C[N@H+](Cc1cc(Br)ccc1C#N)[C@H]1CCc2ccccc21 ZINC001141907861 1027808724 /nfs/dbraw/zinc/80/87/24/1027808724.db2.gz RGSGYSVZMVOZKC-SFHVURJKSA-N 1 1 341.252 4.440 20 30 EIEDMO C[N@@H+](Cc1cc(Br)ccc1C#N)[C@H]1CCc2ccccc21 ZINC001141907861 1027808730 /nfs/dbraw/zinc/80/87/30/1027808730.db2.gz RGSGYSVZMVOZKC-SFHVURJKSA-N 1 1 341.252 4.440 20 30 EIEDMO C=CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520984399 1027820761 /nfs/dbraw/zinc/82/07/61/1027820761.db2.gz LNSPUNNWXFLYQG-UHFFFAOYSA-N 1 1 325.387 4.014 20 30 EIEDMO CC(C)c1nnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000328987049 1027841842 /nfs/dbraw/zinc/84/18/42/1027841842.db2.gz HGNSPFQRRAUXDG-UKRRQHHQSA-N 1 1 344.484 4.018 20 30 EIEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596584 1027880627 /nfs/dbraw/zinc/88/06/27/1027880627.db2.gz LQJCZZLVSYSTDI-KNQAVFIVSA-N 1 1 348.490 4.122 20 30 EIEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596585 1027881412 /nfs/dbraw/zinc/88/14/12/1027881412.db2.gz LQJCZZLVSYSTDI-SIKLNZKXSA-N 1 1 348.490 4.122 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000583052873 1027895424 /nfs/dbraw/zinc/89/54/24/1027895424.db2.gz LAJBKDNIOFSVMH-AWEZNQCLSA-N 1 1 345.512 4.114 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000444654694 1027923558 /nfs/dbraw/zinc/92/35/58/1027923558.db2.gz PKJUPUKHYIDQLI-FQEVSTJZSA-N 1 1 328.500 4.468 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444659358 1027932318 /nfs/dbraw/zinc/93/23/18/1027932318.db2.gz HSBKDEVYOJPNJH-LLVKDONJSA-N 1 1 344.340 4.293 20 30 EIEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668372 1027952829 /nfs/dbraw/zinc/95/28/29/1027952829.db2.gz USMDUWAZKDZHON-HOCLYGCPSA-N 1 1 333.501 4.076 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000444689800 1027974117 /nfs/dbraw/zinc/97/41/17/1027974117.db2.gz PHUDHZLWOQLPCQ-FGZHOGPDSA-N 1 1 348.490 4.122 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774577 1028057535 /nfs/dbraw/zinc/05/75/35/1028057535.db2.gz JQPFKBMAYMJRQU-JKSUJKDBSA-N 1 1 335.492 4.370 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)CCCC1(C)C ZINC000444774577 1028057553 /nfs/dbraw/zinc/05/75/53/1028057553.db2.gz JQPFKBMAYMJRQU-JKSUJKDBSA-N 1 1 335.492 4.370 20 30 EIEDMO N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000127868660 1028067131 /nfs/dbraw/zinc/06/71/31/1028067131.db2.gz HICJOZGVGQHLQP-RHSMWYFYSA-N 1 1 349.400 4.030 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000189351864 1028124069 /nfs/dbraw/zinc/12/40/69/1028124069.db2.gz MUJZDJHGAKUGCY-NRFANRHFSA-N 1 1 348.425 4.205 20 30 EIEDMO N#CCSCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123846249 1028125248 /nfs/dbraw/zinc/12/52/48/1028125248.db2.gz LBVRJVOHYMKUDK-OALUTQOASA-N 1 1 332.513 4.002 20 30 EIEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1Cl ZINC000583158952 1028129362 /nfs/dbraw/zinc/12/93/62/1028129362.db2.gz XMFDZAMETDEIBB-LLVKDONJSA-N 1 1 345.233 4.364 20 30 EIEDMO CC(C)(C)C(=O)NC1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329882933 1028147927 /nfs/dbraw/zinc/14/79/27/1028147927.db2.gz QLNHIELUBPPZES-BHUNQDJPSA-N 1 1 349.519 4.131 20 30 EIEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000322974596 1028179923 /nfs/dbraw/zinc/17/99/23/1028179923.db2.gz SXCMMVQZVZDZMG-GFCCVEGCSA-N 1 1 327.815 4.021 20 30 EIEDMO CC1(C)C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1(C)C ZINC000330107491 1028205730 /nfs/dbraw/zinc/20/57/30/1028205730.db2.gz MFDZREJIOHVVQH-UHFFFAOYSA-N 1 1 348.397 4.192 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000346358728 1028399865 /nfs/dbraw/zinc/39/98/65/1028399865.db2.gz HGPYMQHBVNIUJB-KRWDZBQOSA-N 1 1 330.472 4.246 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000583317311 1028499925 /nfs/dbraw/zinc/49/99/25/1028499925.db2.gz CZCJMTQLHKGWRG-OXQOHEQNSA-N 1 1 331.419 4.210 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)c1C ZINC000444035872 1028753746 /nfs/dbraw/zinc/75/37/46/1028753746.db2.gz BJYLSFQWVFUKBZ-IEBWSBKVSA-N 1 1 341.499 4.061 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187782069 1028768223 /nfs/dbraw/zinc/76/82/23/1028768223.db2.gz RAFYSIHCEAUTPL-JLTOFOAXSA-N 1 1 344.405 4.049 20 30 EIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444056930 1028774514 /nfs/dbraw/zinc/77/45/14/1028774514.db2.gz KLDYLVYUIQRSMW-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO Cc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C2CC2)cc1C ZINC000281882197 1028908816 /nfs/dbraw/zinc/90/88/16/1028908816.db2.gz DBZDECKQHYMFOJ-UHFFFAOYSA-N 1 1 326.484 4.368 20 30 EIEDMO CC(C)Oc1cccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000281909941 1028935949 /nfs/dbraw/zinc/93/59/49/1028935949.db2.gz GJQWLEVSQFWNPJ-UHFFFAOYSA-N 1 1 330.472 4.006 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)CCOCC1 ZINC000281963979 1029025897 /nfs/dbraw/zinc/02/58/97/1029025897.db2.gz KPNXZPMPWLIENR-GOSISDBHSA-N 1 1 346.902 4.447 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522981498 1029145180 /nfs/dbraw/zinc/14/51/80/1029145180.db2.gz UBEOPOVUHFGBLP-SFHVURJKSA-N 1 1 343.515 4.169 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@@H]12 ZINC000524758843 1029209682 /nfs/dbraw/zinc/20/96/82/1029209682.db2.gz GYMTZRTWTYBBGX-JLSDUUJJSA-N 1 1 336.439 4.009 20 30 EIEDMO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000343434128 1029239670 /nfs/dbraw/zinc/23/96/70/1029239670.db2.gz KDRXSSBMZVZRCJ-MRXNPFEDSA-N 1 1 334.467 4.106 20 30 EIEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000583900971 1029344559 /nfs/dbraw/zinc/34/45/59/1029344559.db2.gz FOYAMOFETUSCBW-CVEARBPZSA-N 1 1 347.528 4.387 20 30 EIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000525248946 1029531549 /nfs/dbraw/zinc/53/15/49/1029531549.db2.gz HSMXJBJWLRJTOS-SFHVURJKSA-N 1 1 333.479 4.395 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248233505 1029534792 /nfs/dbraw/zinc/53/47/92/1029534792.db2.gz LSZLOPFZICYAQN-FQEVSTJZSA-N 1 1 344.499 4.037 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000343584443 1029549000 /nfs/dbraw/zinc/54/90/00/1029549000.db2.gz VRBDETVNJRPCBA-UHFFFAOYSA-N 1 1 341.480 4.107 20 30 EIEDMO C[NH+](C)Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1Br ZINC000446797497 1029575055 /nfs/dbraw/zinc/57/50/55/1029575055.db2.gz RCQFAAHTVYYMKD-JSGCOSHPSA-N 1 1 336.277 4.005 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c2nc(C)ccc12 ZINC000429695074 1029699914 /nfs/dbraw/zinc/69/99/14/1029699914.db2.gz GMROXGURTOHPES-UHFFFAOYSA-N 1 1 343.430 4.309 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000329734179 1029704690 /nfs/dbraw/zinc/70/46/90/1029704690.db2.gz KCKNFNOCJJHQHU-GASCZTMLSA-N 1 1 343.471 4.404 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092709758 1029758890 /nfs/dbraw/zinc/75/88/90/1029758890.db2.gz MZBYUOBVXWMWLV-ROUUACIJSA-N 1 1 328.456 4.142 20 30 EIEDMO CN(CCC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000546629240 1030060060 /nfs/dbraw/zinc/06/00/60/1030060060.db2.gz OTNMWQHDJKNPIN-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO CN(CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000546629240 1030060080 /nfs/dbraw/zinc/06/00/80/1030060080.db2.gz OTNMWQHDJKNPIN-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO CN(CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000546629240 1030060095 /nfs/dbraw/zinc/06/00/95/1030060095.db2.gz OTNMWQHDJKNPIN-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000089103753 1030110008 /nfs/dbraw/zinc/11/00/08/1030110008.db2.gz NNRKFAWFSHHNEK-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530815 1030125444 /nfs/dbraw/zinc/12/54/44/1030125444.db2.gz NSOGMKMHTPVQNZ-YADHBBJMSA-N 1 1 333.479 4.436 20 30 EIEDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)n1 ZINC000278778129 1030243720 /nfs/dbraw/zinc/24/37/20/1030243720.db2.gz NKYMFLWIHGOWNC-HNNXBMFYSA-N 1 1 349.500 4.177 20 30 EIEDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)n1 ZINC000278778129 1030243735 /nfs/dbraw/zinc/24/37/35/1030243735.db2.gz NKYMFLWIHGOWNC-HNNXBMFYSA-N 1 1 349.500 4.177 20 30 EIEDMO COC[C@@]1(C)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451201292 1030319618 /nfs/dbraw/zinc/31/96/18/1030319618.db2.gz JABFCELHDIMENT-QFIPXVFZSA-N 1 1 348.490 4.245 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447794775 1030328242 /nfs/dbraw/zinc/32/82/42/1030328242.db2.gz KILLSBZVULQYPL-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C2(CCCC2)CN1CCC(C)(C)C#N ZINC000451349938 1030426024 /nfs/dbraw/zinc/42/60/24/1030426024.db2.gz ZXUBHCNGNVOHQF-GOSISDBHSA-N 1 1 344.547 4.185 20 30 EIEDMO C[C@@H]1CN(CCC(C)(C)C#N)C2(CCCC2)C[N@@H+]1CCC(C)(C)C#N ZINC000451349938 1030426038 /nfs/dbraw/zinc/42/60/38/1030426038.db2.gz ZXUBHCNGNVOHQF-GOSISDBHSA-N 1 1 344.547 4.185 20 30 EIEDMO C[C@@H]1CN(CCC(C)(C)C#N)C2(CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC000451349938 1030426051 /nfs/dbraw/zinc/42/60/51/1030426051.db2.gz ZXUBHCNGNVOHQF-GOSISDBHSA-N 1 1 344.547 4.185 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000530500153 1030480483 /nfs/dbraw/zinc/48/04/83/1030480483.db2.gz GYUHSCQCTHIXMU-QGZVFWFLSA-N 1 1 343.515 4.390 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685604401 1030556828 /nfs/dbraw/zinc/55/68/28/1030556828.db2.gz LRJIPLAZRQZAMY-MSOLQXFVSA-N 1 1 349.396 4.090 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685604401 1030556837 /nfs/dbraw/zinc/55/68/37/1030556837.db2.gz LRJIPLAZRQZAMY-MSOLQXFVSA-N 1 1 349.396 4.090 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1OC ZINC000448376051 1030765524 /nfs/dbraw/zinc/76/55/24/1030765524.db2.gz OWFBEIQNQXCMFJ-IBGZPJMESA-N 1 1 339.410 4.032 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)nn1 ZINC000653598284 1030827656 /nfs/dbraw/zinc/82/76/56/1030827656.db2.gz UJLZDNWAOWUJHE-HXUWFJFHSA-N 1 1 326.488 4.465 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)C1 ZINC000052031424 1030952943 /nfs/dbraw/zinc/95/29/43/1030952943.db2.gz OBKAYMZMKZEQFO-CQSZACIVSA-N 1 1 339.464 4.104 20 30 EIEDMO CCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000508660091 1031064441 /nfs/dbraw/zinc/06/44/41/1031064441.db2.gz GJBRRTFKALYIKV-UHFFFAOYSA-N 1 1 330.435 4.361 20 30 EIEDMO COCc1cccc(OCC2(C[N@H+]3CCC[C@@](C)(C#N)C3)CCC2)c1 ZINC000612161517 1031074589 /nfs/dbraw/zinc/07/45/89/1031074589.db2.gz FKNKYNHNDHFZMG-FQEVSTJZSA-N 1 1 342.483 4.008 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174564 1031111859 /nfs/dbraw/zinc/11/18/59/1031111859.db2.gz HFOWOOQWWLLOAJ-LJQANCHMSA-N 1 1 338.426 4.280 20 30 EIEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC000532488949 1031221752 /nfs/dbraw/zinc/22/17/52/1031221752.db2.gz XAQFWWKPTLVDQI-UHFFFAOYSA-N 1 1 333.501 4.095 20 30 EIEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c(C)c1 ZINC000532493525 1031234794 /nfs/dbraw/zinc/23/47/94/1031234794.db2.gz CKUPWAWWVYLMAY-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000532571898 1031302480 /nfs/dbraw/zinc/30/24/80/1031302480.db2.gz DRWZGVJLZFMMLJ-HXUWFJFHSA-N 1 1 344.499 4.037 20 30 EIEDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000612422675 1031503503 /nfs/dbraw/zinc/50/35/03/1031503503.db2.gz TVRSDXFTENHNCJ-YJYMSZOUSA-N 1 1 340.398 4.270 20 30 EIEDMO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000365247239 1031576862 /nfs/dbraw/zinc/57/68/62/1031576862.db2.gz ZXHWKLSEOORMMV-RTWAWAEBSA-N 1 1 348.425 4.261 20 30 EIEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179935643 1031653258 /nfs/dbraw/zinc/65/32/58/1031653258.db2.gz DTLKYWAYOKMZHE-AWEZNQCLSA-N 1 1 336.464 4.213 20 30 EIEDMO COc1ccc(C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc1C#N ZINC000449365700 1031657530 /nfs/dbraw/zinc/65/75/30/1031657530.db2.gz USORCFGLJCTFHR-SCRDCRAPSA-N 1 1 326.362 4.118 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCc3ccsc3C2)c(-c2ccccc2)n1 ZINC000127047773 1031675428 /nfs/dbraw/zinc/67/54/28/1031675428.db2.gz ROZXRJWSJLFVMK-UHFFFAOYSA-N 1 1 348.475 4.084 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)C#N)o1 ZINC000612584869 1031679797 /nfs/dbraw/zinc/67/97/97/1031679797.db2.gz FWABPUOQLIULNN-UHFFFAOYSA-N 1 1 334.423 4.080 20 30 EIEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528743618 1031820837 /nfs/dbraw/zinc/82/08/37/1031820837.db2.gz HANWVKPAVLXPMR-IBGZPJMESA-N 1 1 344.474 4.494 20 30 EIEDMO N#CCCn1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532836 1031828532 /nfs/dbraw/zinc/82/85/32/1031828532.db2.gz DRISPLFWXWTGFP-UNMCSNQZSA-N 1 1 346.478 4.084 20 30 EIEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000528774980 1031844728 /nfs/dbraw/zinc/84/47/28/1031844728.db2.gz UNSBPSUZCQBLRI-HNNXBMFYSA-N 1 1 338.455 4.256 20 30 EIEDMO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc(C)ccc1C ZINC000528803417 1031860634 /nfs/dbraw/zinc/86/06/34/1031860634.db2.gz XOXHIPLNYABRMD-LJQANCHMSA-N 1 1 346.434 4.466 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000449819798 1032024715 /nfs/dbraw/zinc/02/47/15/1032024715.db2.gz JTQOSMHZBJNIMS-KRWDZBQOSA-N 1 1 346.540 4.213 20 30 EIEDMO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)cc1F ZINC000512610762 1033493571 /nfs/dbraw/zinc/49/35/71/1033493571.db2.gz DSPSMZGODKUFTM-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166500 1033549936 /nfs/dbraw/zinc/54/99/36/1033549936.db2.gz MQQFJAZBPZHAMM-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000614169850 1033558879 /nfs/dbraw/zinc/55/88/79/1033558879.db2.gz XAGIGKFSTPMPPW-QFIPXVFZSA-N 1 1 348.490 4.360 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512628854 1033563281 /nfs/dbraw/zinc/56/32/81/1033563281.db2.gz GJOXIDOHNGLPBM-ZDUSSCGKSA-N 1 1 346.327 4.418 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)C(C)C ZINC000246541004 1033573636 /nfs/dbraw/zinc/57/36/36/1033573636.db2.gz CQFDBTJRMAKVTG-JKSUJKDBSA-N 1 1 347.528 4.386 20 30 EIEDMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175948 1033590774 /nfs/dbraw/zinc/59/07/74/1033590774.db2.gz ULZWBFDMVLBARL-UHFFFAOYSA-N 1 1 332.451 4.006 20 30 EIEDMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175948 1033590786 /nfs/dbraw/zinc/59/07/86/1033590786.db2.gz ULZWBFDMVLBARL-UHFFFAOYSA-N 1 1 332.451 4.006 20 30 EIEDMO CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672789 1033684397 /nfs/dbraw/zinc/68/43/97/1033684397.db2.gz MLSJGNIIHDBQFR-IFXJQAMLSA-N 1 1 345.487 4.493 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000433299881 1034191217 /nfs/dbraw/zinc/19/12/17/1034191217.db2.gz RUGBXNQFPPHFJU-KRWDZBQOSA-N 1 1 332.875 4.230 20 30 EIEDMO CC1(C)C[N@H+](CCCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314831 1034209093 /nfs/dbraw/zinc/20/90/93/1034209093.db2.gz WVLDYYRANRPTSO-OAHLLOKOSA-N 1 1 326.362 4.161 20 30 EIEDMO CC1(C)C[N@@H+](CCCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314831 1034209109 /nfs/dbraw/zinc/20/91/09/1034209109.db2.gz WVLDYYRANRPTSO-OAHLLOKOSA-N 1 1 326.362 4.161 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000614397316 1034536122 /nfs/dbraw/zinc/53/61/22/1034536122.db2.gz JRFDJTWGOMKEKS-UHFFFAOYSA-N 1 1 344.462 4.321 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000614401987 1034547828 /nfs/dbraw/zinc/54/78/28/1034547828.db2.gz GSTYJMNMDMHIDX-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000614401987 1034547863 /nfs/dbraw/zinc/54/78/63/1034547863.db2.gz GSTYJMNMDMHIDX-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614403099 1034552043 /nfs/dbraw/zinc/55/20/43/1034552043.db2.gz CKYAFBCYKLZPRR-HXUWFJFHSA-N 1 1 344.462 4.189 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513257055 1034860553 /nfs/dbraw/zinc/86/05/53/1034860553.db2.gz OZIQFSPFMXRBMJ-VQIMIIECSA-N 1 1 336.435 4.029 20 30 EIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000501261263 1035408158 /nfs/dbraw/zinc/40/81/58/1035408158.db2.gz ZGWPCQUVHLSKOA-HXUWFJFHSA-N 1 1 336.435 4.303 20 30 EIEDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000595022445 1035511076 /nfs/dbraw/zinc/51/10/76/1035511076.db2.gz MEOONAQZRNQDQX-KBXCAEBGSA-N 1 1 339.395 4.299 20 30 EIEDMO C[C@H](N[C@@H](C#N)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430689 1035675458 /nfs/dbraw/zinc/67/54/58/1035675458.db2.gz KOHBAILXDNLRPW-GMBSWORKSA-N 1 1 331.891 4.147 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c(C(F)(F)F)c1 ZINC000595494358 1035690322 /nfs/dbraw/zinc/69/03/22/1035690322.db2.gz AYRJXICKRZJDHH-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)c(C(F)(F)F)c1 ZINC000595494358 1035690325 /nfs/dbraw/zinc/69/03/25/1035690325.db2.gz AYRJXICKRZJDHH-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000595559566 1035704323 /nfs/dbraw/zinc/70/43/23/1035704323.db2.gz GGHKXZBMBLYDSA-FKBYEOEOSA-N 1 1 332.447 4.095 20 30 EIEDMO C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000029689566 1035735489 /nfs/dbraw/zinc/73/54/89/1035735489.db2.gz JXAZBKGKACJKCR-INIZCTEOSA-N 1 1 339.870 4.090 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000366640605 1035743503 /nfs/dbraw/zinc/74/35/03/1035743503.db2.gz HGXVGCSRNFLQSB-UHFFFAOYSA-N 1 1 337.448 4.339 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610496 1035747787 /nfs/dbraw/zinc/74/77/87/1035747787.db2.gz ZTXAHPZBHIJNKG-IBGZPJMESA-N 1 1 334.463 4.418 20 30 EIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595611636 1035751718 /nfs/dbraw/zinc/75/17/18/1035751718.db2.gz MHIYEXPZEXESSC-WIYYLYMNSA-N 1 1 347.462 4.301 20 30 EIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595611636 1035751744 /nfs/dbraw/zinc/75/17/44/1035751744.db2.gz MHIYEXPZEXESSC-WIYYLYMNSA-N 1 1 347.462 4.301 20 30 EIEDMO N#CCCOCC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000595766224 1035780063 /nfs/dbraw/zinc/78/00/63/1035780063.db2.gz CCXLXERCKPNLEO-SFHVURJKSA-N 1 1 346.883 4.279 20 30 EIEDMO N#CCCOCC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000595766224 1035780081 /nfs/dbraw/zinc/78/00/81/1035780081.db2.gz CCXLXERCKPNLEO-SFHVURJKSA-N 1 1 346.883 4.279 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595841203 1035796020 /nfs/dbraw/zinc/79/60/20/1035796020.db2.gz SJVSWKPMMYXREW-OAQYLSRUSA-N 1 1 349.434 4.043 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595841203 1035796038 /nfs/dbraw/zinc/79/60/38/1035796038.db2.gz SJVSWKPMMYXREW-OAQYLSRUSA-N 1 1 349.434 4.043 20 30 EIEDMO COc1cc(C[N@H+]2CC3CC2(C)C3)ccc1OCc1cccc(C#N)c1 ZINC000595915188 1035803955 /nfs/dbraw/zinc/80/39/55/1035803955.db2.gz LAHKYLYUMMTRKG-UHFFFAOYSA-N 1 1 348.446 4.130 20 30 EIEDMO CCc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000491146175 1035809508 /nfs/dbraw/zinc/80/95/08/1035809508.db2.gz OKIHGDSGPJPPLM-UHFFFAOYSA-N 1 1 344.462 4.153 20 30 EIEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000420920478 1035875997 /nfs/dbraw/zinc/87/59/97/1035875997.db2.gz BDZBAUORFLZVLP-FQEVSTJZSA-N 1 1 344.474 4.323 20 30 EIEDMO C=C(Br)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227852518 1035909772 /nfs/dbraw/zinc/90/97/72/1035909772.db2.gz VJPMGTOKVAOLPP-UHFFFAOYSA-N 1 1 345.487 4.162 20 30 EIEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015394 1036069134 /nfs/dbraw/zinc/06/91/34/1036069134.db2.gz YRPLWDUMNGMASA-OAQYLSRUSA-N 1 1 334.463 4.015 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000502311458 1036090804 /nfs/dbraw/zinc/09/08/04/1036090804.db2.gz HHYSSTVLFFNALB-INIZCTEOSA-N 1 1 342.870 4.205 20 30 EIEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000502311458 1036090824 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C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000588210567 1036312673 /nfs/dbraw/zinc/31/26/73/1036312673.db2.gz UTWSNKRIVSRWJA-CYBMUJFWSA-N 1 1 333.357 4.035 20 30 EIEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540086 1036312985 /nfs/dbraw/zinc/31/29/85/1036312985.db2.gz KESKOAPZDZPLSD-HNNXBMFYSA-N 1 1 333.391 4.317 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1Cl ZINC000421400156 1036337291 /nfs/dbraw/zinc/33/72/91/1036337291.db2.gz JOAUYKAYDOJOSW-UHFFFAOYSA-N 1 1 348.878 4.102 20 30 EIEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CC12CCOCC2 ZINC000414530316 1036504339 /nfs/dbraw/zinc/50/43/39/1036504339.db2.gz QFHGAFJCWRLBKH-HXUWFJFHSA-N 1 1 342.483 4.006 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000602643349 1036535615 /nfs/dbraw/zinc/53/56/15/1036535615.db2.gz PWGVGUPKFZHXMC-HNNXBMFYSA-N 1 1 330.863 4.016 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586752 1036705261 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/nfs/dbraw/zinc/97/05/53/1036970553.db2.gz NESUJCYXJNVACO-RTWAWAEBSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C#N ZINC000599437853 1037010885 /nfs/dbraw/zinc/01/08/85/1037010885.db2.gz UBQVUSFLNWXEFP-OAQYLSRUSA-N 1 1 332.447 4.220 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCCCC1 ZINC000603849158 1037042374 /nfs/dbraw/zinc/04/23/74/1037042374.db2.gz NTXFBQLJJIPALC-UHFFFAOYSA-N 1 1 341.499 4.205 20 30 EIEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2Br)C[C@H](C)C1(F)F ZINC000599515811 1037046605 /nfs/dbraw/zinc/04/66/05/1037046605.db2.gz USHMZRXAJAJPQO-QWRGUYRKSA-N 1 1 343.215 4.044 20 30 EIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583579 1037085220 /nfs/dbraw/zinc/08/52/20/1037085220.db2.gz SHBLEUPFCVCVAT-DLBZAZTESA-N 1 1 334.504 4.150 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1C ZINC000137205997 1037112080 /nfs/dbraw/zinc/11/20/80/1037112080.db2.gz RMAFURIFYSSLBR-UHFFFAOYSA-N 1 1 340.492 4.344 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1C ZINC000137205997 1037112092 /nfs/dbraw/zinc/11/20/92/1037112092.db2.gz RMAFURIFYSSLBR-UHFFFAOYSA-N 1 1 340.492 4.344 20 30 EIEDMO C[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646854 1037129954 /nfs/dbraw/zinc/12/99/54/1037129954.db2.gz LWZIPIJRBLLTMB-RTBURBONSA-N 1 1 347.506 4.304 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000599678374 1037130239 /nfs/dbraw/zinc/13/02/39/1037130239.db2.gz PNKCVGOWEAPPLW-UHFFFAOYSA-N 1 1 336.401 4.479 20 30 EIEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467305368 1037300852 /nfs/dbraw/zinc/30/08/52/1037300852.db2.gz SGFKMOHYFXDNBU-FQEVSTJZSA-N 1 1 342.870 4.054 20 30 EIEDMO CCN(Cc1ccccc1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000604490092 1037403503 /nfs/dbraw/zinc/40/35/03/1037403503.db2.gz ZJNSXWNZUYZQQN-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccc(C)o1 ZINC000604493637 1037406772 /nfs/dbraw/zinc/40/67/72/1037406772.db2.gz SVFOSFDWBHCPRV-AWEZNQCLSA-N 1 1 345.468 4.323 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccc(C)o1 ZINC000604493637 1037406811 /nfs/dbraw/zinc/40/68/11/1037406811.db2.gz SVFOSFDWBHCPRV-AWEZNQCLSA-N 1 1 345.468 4.323 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000488239197 1037442251 /nfs/dbraw/zinc/44/22/51/1037442251.db2.gz YJAGWLJRGWMKHA-GOSISDBHSA-N 1 1 330.472 4.153 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000488297013 1037491251 /nfs/dbraw/zinc/49/12/51/1037491251.db2.gz STTPGUVFIASUDC-AWEZNQCLSA-N 1 1 341.842 4.061 20 30 EIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000488297013 1037491255 /nfs/dbraw/zinc/49/12/55/1037491255.db2.gz STTPGUVFIASUDC-AWEZNQCLSA-N 1 1 341.842 4.061 20 30 EIEDMO C=CC[N@H+](C[C@H](C)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000604885273 1037576349 /nfs/dbraw/zinc/57/63/49/1037576349.db2.gz WPLGVEQXPHKNOC-ZWKOTPCHSA-N 1 1 347.466 4.015 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000573618784 1037601493 /nfs/dbraw/zinc/60/14/93/1037601493.db2.gz XZVNDAWDBRLTRM-KRWDZBQOSA-N 1 1 338.426 4.161 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)o1 ZINC000503293547 1037682460 /nfs/dbraw/zinc/68/24/60/1037682460.db2.gz XYBZQZSVIDKWFV-IBGZPJMESA-N 1 1 337.810 4.273 20 30 EIEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000592123006 1037735282 /nfs/dbraw/zinc/73/52/82/1037735282.db2.gz OVXFKWVGPYLLAQ-OAHLLOKOSA-N 1 1 345.368 4.352 20 30 EIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000488751432 1037736496 /nfs/dbraw/zinc/73/64/96/1037736496.db2.gz WEHDQSHSBHARMO-HXUWFJFHSA-N 1 1 336.435 4.085 20 30 EIEDMO Cc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2Br)CC1 ZINC000592139403 1037744638 /nfs/dbraw/zinc/74/46/38/1037744638.db2.gz DHMQVKGAOPAUMM-UHFFFAOYSA-N 1 1 341.252 4.408 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000129370769 1037814438 /nfs/dbraw/zinc/81/44/38/1037814438.db2.gz XDBMZMFQGRLLEU-FUHWJXTLSA-N 1 1 345.874 4.194 20 30 EIEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1 ZINC000592984976 1037897265 /nfs/dbraw/zinc/89/72/65/1037897265.db2.gz DFQNAXWKHLCIRZ-XLIONFOSSA-N 1 1 334.463 4.012 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000607158824 1037975702 /nfs/dbraw/zinc/97/57/02/1037975702.db2.gz FWXHSBGKAIOZGX-SFHVURJKSA-N 1 1 326.484 4.050 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)nc1 ZINC000593965662 1038012952 /nfs/dbraw/zinc/01/29/52/1038012952.db2.gz IKMXHRKPMUPHNO-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)nc1 ZINC000593965662 1038012977 /nfs/dbraw/zinc/01/29/77/1038012977.db2.gz IKMXHRKPMUPHNO-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000489422404 1038038016 /nfs/dbraw/zinc/03/80/16/1038038016.db2.gz FBADHTQFNOVFJD-QGZVFWFLSA-N 1 1 341.480 4.098 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000489422404 1038038040 /nfs/dbraw/zinc/03/80/40/1038038040.db2.gz FBADHTQFNOVFJD-QGZVFWFLSA-N 1 1 341.480 4.098 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000489420579 1038038235 /nfs/dbraw/zinc/03/82/35/1038038235.db2.gz ACPMTQYZXDGHDI-OAHLLOKOSA-N 1 1 328.437 4.079 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000489420579 1038038259 /nfs/dbraw/zinc/03/82/59/1038038259.db2.gz ACPMTQYZXDGHDI-OAHLLOKOSA-N 1 1 328.437 4.079 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075740859 1038066037 /nfs/dbraw/zinc/06/60/37/1038066037.db2.gz KCDSMVWGJPYBDY-HXUWFJFHSA-N 1 1 346.434 4.437 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC4(CCCCC4)C3)o2)c1 ZINC000075739048 1038069761 /nfs/dbraw/zinc/06/97/61/1038069761.db2.gz KREFQCLVBHXFTA-UHFFFAOYSA-N 1 1 336.439 4.155 20 30 EIEDMO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593652555 1038115101 /nfs/dbraw/zinc/11/51/01/1038115101.db2.gz BWMNSTXTPSNEKZ-UHFFFAOYSA-N 1 1 345.446 4.311 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000607433788 1038125917 /nfs/dbraw/zinc/12/59/17/1038125917.db2.gz FMZZYFHEEXTRRE-AWEZNQCLSA-N 1 1 348.899 4.094 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000607433788 1038125954 /nfs/dbraw/zinc/12/59/54/1038125954.db2.gz FMZZYFHEEXTRRE-AWEZNQCLSA-N 1 1 348.899 4.094 20 30 EIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594019662 1038235595 /nfs/dbraw/zinc/23/55/95/1038235595.db2.gz PJHAOLBSAWNERD-MRXNPFEDSA-N 1 1 331.410 4.053 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CC3CCCC3)o2)cc1 ZINC000594054651 1038295441 /nfs/dbraw/zinc/29/54/41/1038295441.db2.gz UYRUWXKLAZIVGF-SFHVURJKSA-N 1 1 336.439 4.153 20 30 EIEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000594900228 1038415662 /nfs/dbraw/zinc/41/56/62/1038415662.db2.gz RGADHASPUMYUSC-NWDGAFQWSA-N 1 1 333.357 4.193 20 30 EIEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594921410 1038424194 /nfs/dbraw/zinc/42/41/94/1038424194.db2.gz CWJGOFIMPIQDDS-IBGZPJMESA-N 1 1 338.451 4.338 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3csc(-c4ccco4)n3)cc2)CC1 ZINC000594932300 1038434190 /nfs/dbraw/zinc/43/41/90/1038434190.db2.gz YPTYGBSMNULQDR-UHFFFAOYSA-N 1 1 335.432 4.248 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)nn1 ZINC000424292042 1038768789 /nfs/dbraw/zinc/76/87/89/1038768789.db2.gz FYCBXJHIRAANKC-GOSISDBHSA-N 1 1 330.863 4.139 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)nn1 ZINC000424300939 1038777281 /nfs/dbraw/zinc/77/72/81/1038777281.db2.gz YTGDVDUOHOGPOJ-JOCHJYFZSA-N 1 1 346.478 4.318 20 30 EIEDMO Cc1ccc(C(=O)CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000480872575 1038850020 /nfs/dbraw/zinc/85/00/20/1038850020.db2.gz ODKRKDZTJIABAL-UHFFFAOYSA-N 1 1 330.431 4.229 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000505034629 1038906862 /nfs/dbraw/zinc/90/68/62/1038906862.db2.gz FMFFGYYBUCMWDN-FUHWJXTLSA-N 1 1 329.488 4.142 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000505056426 1038926602 /nfs/dbraw/zinc/92/66/02/1038926602.db2.gz BHFJSIWHIVNJKE-SFTDATJTSA-N 1 1 349.478 4.372 20 30 EIEDMO C=CCCC1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000555177238 1038933661 /nfs/dbraw/zinc/93/36/61/1038933661.db2.gz MMCPCHZXLOSZRY-FQEVSTJZSA-N 1 1 340.511 4.151 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539388998 1039043383 /nfs/dbraw/zinc/04/33/83/1039043383.db2.gz VZFHFAJYJDFDOR-NLWGTHIKSA-N 1 1 343.515 4.084 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424740408 1039047643 /nfs/dbraw/zinc/04/76/43/1039047643.db2.gz RFWULDNYJDVPRC-UXHICEINSA-N 1 1 340.511 4.102 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000481311192 1039263622 /nfs/dbraw/zinc/26/36/22/1039263622.db2.gz DISNTBFCPUOWMP-HXUWFJFHSA-N 1 1 342.508 4.024 20 30 EIEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212204 1039373847 /nfs/dbraw/zinc/37/38/47/1039373847.db2.gz CUQHCNMIPYPKHP-DCKQQPRJSA-N 1 1 349.482 4.037 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC000600214444 1039388104 /nfs/dbraw/zinc/38/81/04/1039388104.db2.gz QHZNARWRKCHAED-OAHLLOKOSA-N 1 1 346.352 4.272 20 30 EIEDMO CCCC(C#N)(CCC)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000121699179 1039425034 /nfs/dbraw/zinc/42/50/34/1039425034.db2.gz OCIWVHNZQKPXAX-UHFFFAOYSA-N 1 1 341.499 4.263 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CCC2)c(-c2ccccc2)n1 ZINC000092780811 1039586775 /nfs/dbraw/zinc/58/67/75/1039586775.db2.gz RTZCPZQBQHISSL-FQEVSTJZSA-N 1 1 334.467 4.228 20 30 EIEDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093105154 1039635760 /nfs/dbraw/zinc/63/57/60/1039635760.db2.gz RPVDBUAVLMIEMU-UHFFFAOYSA-N 1 1 338.451 4.052 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000478560402 1039825204 /nfs/dbraw/zinc/82/52/04/1039825204.db2.gz LRYGVECBLDHLRS-UXHICEINSA-N 1 1 340.511 4.102 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000157691790 1039842984 /nfs/dbraw/zinc/84/29/84/1039842984.db2.gz YUYJWFLFPDFXIH-QGZVFWFLSA-N 1 1 334.341 4.102 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1OC ZINC000430107674 1039849014 /nfs/dbraw/zinc/84/90/14/1039849014.db2.gz SPOCUAPJBIWZEP-ZWKOTPCHSA-N 1 1 337.410 4.127 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC(C)(C)C#N ZINC000481831818 1039850955 /nfs/dbraw/zinc/85/09/55/1039850955.db2.gz NHKPSEKWEQMHSE-BBWFWOEESA-N 1 1 334.504 4.291 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC(C)(C)C#N ZINC000481831819 1039851622 /nfs/dbraw/zinc/85/16/22/1039851622.db2.gz NHKPSEKWEQMHSE-IKGGRYGDSA-N 1 1 334.504 4.291 20 30 EIEDMO C=CCN1CCC([NH2+][C@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924984467 1039873906 /nfs/dbraw/zinc/87/39/06/1039873906.db2.gz VOGUNYFRLRHMHQ-LLVKDONJSA-N 1 1 347.812 4.055 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000442691368 1039880873 /nfs/dbraw/zinc/88/08/73/1039880873.db2.gz LTJPSOJVSZORMW-WMLDXEAASA-N 1 1 326.827 4.426 20 30 EIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281869172 1039883394 /nfs/dbraw/zinc/88/33/94/1039883394.db2.gz CDBIAWVJLQZDFD-QUCCMNQESA-N 1 1 326.484 4.040 20 30 EIEDMO CCCCN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916690 1039893270 /nfs/dbraw/zinc/89/32/70/1039893270.db2.gz HAPZIEAKVDUICS-NRFANRHFSA-N 1 1 325.500 4.180 20 30 EIEDMO CCCC[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916690 1039893277 /nfs/dbraw/zinc/89/32/77/1039893277.db2.gz HAPZIEAKVDUICS-NRFANRHFSA-N 1 1 325.500 4.180 20 30 EIEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000159419192 1039992547 /nfs/dbraw/zinc/99/25/47/1039992547.db2.gz YDQMCQRSDRSASA-UHFFFAOYSA-N 1 1 338.398 4.078 20 30 EIEDMO N#CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000345309325 1040011604 /nfs/dbraw/zinc/01/16/04/1040011604.db2.gz WXEFCNNQFGJIAG-UHFFFAOYSA-N 1 1 345.240 4.031 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000476974628 1040080396 /nfs/dbraw/zinc/08/03/96/1040080396.db2.gz POLDMICNGGEMJH-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780812 1040197512 /nfs/dbraw/zinc/19/75/12/1040197512.db2.gz CZSUWDXXQTWVCX-MSOLQXFVSA-N 1 1 341.842 4.211 20 30 EIEDMO C=C[C@H](CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000535339820 1040205638 /nfs/dbraw/zinc/20/56/38/1040205638.db2.gz JFUZCLIQJSWLFW-RCLSDMTESA-N 1 1 340.511 4.210 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796422 1040236266 /nfs/dbraw/zinc/23/62/66/1040236266.db2.gz PZHCBWBIJOATFU-MRXNPFEDSA-N 1 1 345.368 4.352 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000477143416 1040256819 /nfs/dbraw/zinc/25/68/19/1040256819.db2.gz WZRSYEDBIBKXFP-HNNXBMFYSA-N 1 1 346.906 4.088 20 30 EIEDMO Cc1ccc(Cn2cc(C[NH2+]CCC#N)c(-c3ccc(C)cc3)n2)cc1 ZINC000346738725 1040261677 /nfs/dbraw/zinc/26/16/77/1040261677.db2.gz IZJUANARYSHJQX-UHFFFAOYSA-N 1 1 344.462 4.219 20 30 EIEDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCCCCC#N)N=[N+]=[N-] ZINC001168427937 1040270893 /nfs/dbraw/zinc/27/08/93/1040270893.db2.gz VHARJDZNQRJJIY-PTNGSMBKSA-N 1 1 342.403 4.019 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc2c(c(OC)c1)OCO2)c1ccc(F)c(F)c1 ZINC000479401248 1040303592 /nfs/dbraw/zinc/30/35/92/1040303592.db2.gz FGMWFCXCMDMUEL-GOSISDBHSA-N 1 1 347.361 4.109 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000425364566 1040335727 /nfs/dbraw/zinc/33/57/27/1040335727.db2.gz GSABYFNSWNNQEO-CYBMUJFWSA-N 1 1 338.842 4.291 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000425364566 1040335742 /nfs/dbraw/zinc/33/57/42/1040335742.db2.gz GSABYFNSWNNQEO-CYBMUJFWSA-N 1 1 338.842 4.291 20 30 EIEDMO COc1ccc2nc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)sc2c1 ZINC000425366726 1040341345 /nfs/dbraw/zinc/34/13/45/1040341345.db2.gz QQHZMAVUFXETTE-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1ccc2nc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)sc2c1 ZINC000425366726 1040341359 /nfs/dbraw/zinc/34/13/59/1040341359.db2.gz QQHZMAVUFXETTE-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000425367249 1040347536 /nfs/dbraw/zinc/34/75/36/1040347536.db2.gz SAYQQDUTYCYZBQ-CYBMUJFWSA-N 1 1 344.842 4.422 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369217 1040354302 /nfs/dbraw/zinc/35/43/02/1040354302.db2.gz ZIXWUEOMZRFIOK-CQSZACIVSA-N 1 1 336.464 4.213 20 30 EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000462244424 1040421140 /nfs/dbraw/zinc/42/11/40/1040421140.db2.gz DTJQDEKLDPETHF-MRXNPFEDSA-N 1 1 347.462 4.272 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000442964071 1040452811 /nfs/dbraw/zinc/45/28/11/1040452811.db2.gz NPSQIBDVIBIIMO-UONOGXRCSA-N 1 1 348.899 4.087 20 30 EIEDMO CC#CCC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000462334362 1040486254 /nfs/dbraw/zinc/48/62/54/1040486254.db2.gz JJSRQAXAMHBEDE-KRWDZBQOSA-N 1 1 329.488 4.175 20 30 EIEDMO C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001270000502 1040532275 /nfs/dbraw/zinc/53/22/75/1040532275.db2.gz DYHKMGXJFDDUAG-IKGGRYGDSA-N 1 1 342.474 4.089 20 30 EIEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000553879521 1040589804 /nfs/dbraw/zinc/58/98/04/1040589804.db2.gz RKQZRVXPSCSRRJ-LBPRGKRZSA-N 1 1 344.256 4.129 20 30 EIEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553864837 1040594750 /nfs/dbraw/zinc/59/47/50/1040594750.db2.gz ALZQDTIUHRFQQV-NQIIRXRSSA-N 1 1 340.511 4.069 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577135 1040612160 /nfs/dbraw/zinc/61/21/60/1040612160.db2.gz HLTZUUWBJHYMLS-IBGZPJMESA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577135 1040612173 /nfs/dbraw/zinc/61/21/73/1040612173.db2.gz HLTZUUWBJHYMLS-IBGZPJMESA-N 1 1 340.398 4.052 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC12CCCCC2 ZINC000462464223 1040624850 /nfs/dbraw/zinc/62/48/50/1040624850.db2.gz OAIBUVNGTKWWBG-OAHLLOKOSA-N 1 1 345.512 4.241 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000924638344 1040632177 /nfs/dbraw/zinc/63/21/77/1040632177.db2.gz CFEBLUWNPKATMP-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO C=CC[C@H](C)[C@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000539732760 1040746093 /nfs/dbraw/zinc/74/60/93/1040746093.db2.gz DRYOAFMMGKXYAG-WMZOPIPTSA-N 1 1 343.515 4.432 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491282391 1040746677 /nfs/dbraw/zinc/74/66/77/1040746677.db2.gz FPIIGYSLWBHUON-UHFFFAOYSA-N 1 1 344.361 4.444 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491282391 1040746679 /nfs/dbraw/zinc/74/66/79/1040746679.db2.gz FPIIGYSLWBHUON-UHFFFAOYSA-N 1 1 344.361 4.444 20 30 EIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291738 1040808349 /nfs/dbraw/zinc/80/83/49/1040808349.db2.gz RMAYHVUVVPGXTJ-SCLBCKFNSA-N 1 1 347.384 4.499 20 30 EIEDMO CCCCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000515549212 1040845793 /nfs/dbraw/zinc/84/57/93/1040845793.db2.gz NNJAIOQMXOEBSE-UHFFFAOYSA-N 1 1 349.906 4.487 20 30 EIEDMO Cc1ccc2c(C)cc(N3CCO[C@@H](c4cccc(C#N)c4)C3)[nH+]c2c1 ZINC000460962613 1041069133 /nfs/dbraw/zinc/06/91/33/1041069133.db2.gz ZMOYKHJXDJGXPC-OAQYLSRUSA-N 1 1 343.430 4.301 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1Cl ZINC000425532751 1041178204 /nfs/dbraw/zinc/17/82/04/1041178204.db2.gz KBLWHFACDFQNIL-ZDUSSCGKSA-N 1 1 342.826 4.191 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1Cl ZINC000425532751 1041178214 /nfs/dbraw/zinc/17/82/14/1041178214.db2.gz KBLWHFACDFQNIL-ZDUSSCGKSA-N 1 1 342.826 4.191 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533750 1041180687 /nfs/dbraw/zinc/18/06/87/1041180687.db2.gz LBTMHDCTCDVVOW-INIZCTEOSA-N 1 1 335.451 4.061 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533750 1041180703 /nfs/dbraw/zinc/18/07/03/1041180703.db2.gz LBTMHDCTCDVVOW-INIZCTEOSA-N 1 1 335.451 4.061 20 30 EIEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529390 1041184724 /nfs/dbraw/zinc/18/47/24/1041184724.db2.gz BODOBCYLSVJRAU-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO Cc1cc(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)n1C1CC1 ZINC000425533100 1041185722 /nfs/dbraw/zinc/18/57/22/1041185722.db2.gz KHAKJUYKWJHERE-HNNXBMFYSA-N 1 1 335.451 4.187 20 30 EIEDMO Cc1cc(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)n1C1CC1 ZINC000425533100 1041185768 /nfs/dbraw/zinc/18/57/68/1041185768.db2.gz KHAKJUYKWJHERE-HNNXBMFYSA-N 1 1 335.451 4.187 20 30 EIEDMO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538605 1041195380 /nfs/dbraw/zinc/19/53/80/1041195380.db2.gz SIXUEECUFVAVGW-CQSZACIVSA-N 1 1 336.414 4.260 20 30 EIEDMO CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538605 1041195403 /nfs/dbraw/zinc/19/54/03/1041195403.db2.gz SIXUEECUFVAVGW-CQSZACIVSA-N 1 1 336.414 4.260 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539990 1041200851 /nfs/dbraw/zinc/20/08/51/1041200851.db2.gz NOJFGSKIAWZXJX-INIZCTEOSA-N 1 1 349.478 4.315 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539990 1041200861 /nfs/dbraw/zinc/20/08/61/1041200861.db2.gz NOJFGSKIAWZXJX-INIZCTEOSA-N 1 1 349.478 4.315 20 30 EIEDMO C[C@H]1C[C@@H](CCNc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000436399880 1041203602 /nfs/dbraw/zinc/20/36/02/1041203602.db2.gz JWWGSDVLKMJJFA-PKOBYXMFSA-N 1 1 344.462 4.143 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000538289104 1041225935 /nfs/dbraw/zinc/22/59/35/1041225935.db2.gz CPPSLXKJZVOHBI-JZXOWHBKSA-N 1 1 349.544 4.175 20 30 EIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540952 1041229798 /nfs/dbraw/zinc/22/97/98/1041229798.db2.gz VZXLHUCLLQFXQX-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540952 1041229817 /nfs/dbraw/zinc/22/98/17/1041229817.db2.gz VZXLHUCLLQFXQX-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557041 1041391092 /nfs/dbraw/zinc/39/10/92/1041391092.db2.gz RYHGCIFUSCGVCS-IAGOWNOFSA-N 1 1 345.918 4.298 20 30 EIEDMO C=CCC1(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CCC1 ZINC000480601168 1041412888 /nfs/dbraw/zinc/41/28/88/1041412888.db2.gz LXWYWCLAUBGOJG-UHFFFAOYSA-N 1 1 334.548 4.339 20 30 EIEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001270130088 1041491663 /nfs/dbraw/zinc/49/16/63/1041491663.db2.gz AIWBIVLLISUIFU-MJGOQNOKSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C(C)=O)ccc1OCC ZINC000491298771 1041624856 /nfs/dbraw/zinc/62/48/56/1041624856.db2.gz XIDOCQCZVASIML-UHFFFAOYSA-N 1 1 327.424 4.112 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(C)=O)ccc1OCC ZINC000491298771 1041624860 /nfs/dbraw/zinc/62/48/60/1041624860.db2.gz XIDOCQCZVASIML-UHFFFAOYSA-N 1 1 327.424 4.112 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516690452 1041709502 /nfs/dbraw/zinc/70/95/02/1041709502.db2.gz PJPJWWRSQMRYHQ-JWNTYJGQSA-N 1 1 345.490 4.046 20 30 EIEDMO CCCC[C@@H](CC)CN1CCO[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183633 1041776311 /nfs/dbraw/zinc/77/63/11/1041776311.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@@H](CC)C[N@@H+]1CCO[C@@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183633 1041776316 /nfs/dbraw/zinc/77/63/16/1041776316.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@@H](CC)C[N@H+]1CCO[C@@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183633 1041776324 /nfs/dbraw/zinc/77/63/24/1041776324.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 1 1 349.563 4.063 20 30 EIEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000438063850 1042036449 /nfs/dbraw/zinc/03/64/49/1042036449.db2.gz DIYBQODJFMTOMX-LAUBAEHRSA-N 1 1 344.499 4.228 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000438103435 1042049840 /nfs/dbraw/zinc/04/98/40/1042049840.db2.gz KSMKMOUSJVJNEW-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000438103435 1042049845 /nfs/dbraw/zinc/04/98/45/1042049845.db2.gz KSMKMOUSJVJNEW-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700910 1042076716 /nfs/dbraw/zinc/07/67/16/1042076716.db2.gz GWZPBSAZWKIKSP-MOPGFXCFSA-N 1 1 342.389 4.189 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000438191014 1042082707 /nfs/dbraw/zinc/08/27/07/1042082707.db2.gz PDEOASBTZQQHSR-QGZVFWFLSA-N 1 1 338.476 4.181 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)c(C)c1 ZINC000541763195 1042096306 /nfs/dbraw/zinc/09/63/06/1042096306.db2.gz BTKJNUUBDUSMLF-QGZVFWFLSA-N 1 1 344.462 4.405 20 30 EIEDMO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000541763864 1042097856 /nfs/dbraw/zinc/09/78/56/1042097856.db2.gz XRQDQHREGGZFFS-QGZVFWFLSA-N 1 1 344.462 4.351 20 30 EIEDMO N#CCC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000541921516 1042173406 /nfs/dbraw/zinc/17/34/06/1042173406.db2.gz KVQYJPJKXIJOIU-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)ccc1F ZINC000443645239 1042213363 /nfs/dbraw/zinc/21/33/63/1042213363.db2.gz ADEZOGLYBMBGDQ-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)ccc1F ZINC000443645239 1042213367 /nfs/dbraw/zinc/21/33/67/1042213367.db2.gz ADEZOGLYBMBGDQ-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC(C)(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000438727480 1042320989 /nfs/dbraw/zinc/32/09/89/1042320989.db2.gz RZGQYMHEPHPPLX-LJQANCHMSA-N 1 1 346.434 4.485 20 30 EIEDMO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cc(Br)ccc1F ZINC000542202990 1042333284 /nfs/dbraw/zinc/33/32/84/1042333284.db2.gz JNJFZSQKZFONRE-UHFFFAOYSA-N 1 1 347.231 4.286 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cc(Br)ccc1F ZINC000542202990 1042333286 /nfs/dbraw/zinc/33/32/86/1042333286.db2.gz JNJFZSQKZFONRE-UHFFFAOYSA-N 1 1 347.231 4.286 20 30 EIEDMO CCN(Cc1ccc(CC#N)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000542282682 1042368470 /nfs/dbraw/zinc/36/84/70/1042368470.db2.gz ZJUSIFWSPXIVGX-AUSIDOKSSA-N 1 1 347.506 4.410 20 30 EIEDMO CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000542282682 1042368472 /nfs/dbraw/zinc/36/84/72/1042368472.db2.gz ZJUSIFWSPXIVGX-AUSIDOKSSA-N 1 1 347.506 4.410 20 30 EIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000542282682 1042368477 /nfs/dbraw/zinc/36/84/77/1042368477.db2.gz ZJUSIFWSPXIVGX-AUSIDOKSSA-N 1 1 347.506 4.410 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506416468 1042398360 /nfs/dbraw/zinc/39/83/60/1042398360.db2.gz NMYXIDWCBHMFQL-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO COc1ccccc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000108421177 1042405550 /nfs/dbraw/zinc/40/55/50/1042405550.db2.gz CJAITFUACZTYAN-QFIPXVFZSA-N 1 1 328.415 4.446 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc(F)cc1 ZINC000491351108 1042430369 /nfs/dbraw/zinc/43/03/69/1042430369.db2.gz RPYLFZHLSXBSIA-QFIPXVFZSA-N 1 1 346.405 4.264 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 ZINC000491811232 1042505062 /nfs/dbraw/zinc/50/50/62/1042505062.db2.gz LGKYGNZUKFGOGI-FQEVSTJZSA-N 1 1 338.838 4.487 20 30 EIEDMO COc1cc2c(c(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)c1)O[C@H](C)C2 ZINC000506547095 1042587116 /nfs/dbraw/zinc/58/71/16/1042587116.db2.gz ORLMQCZZTDOOFT-OAHLLOKOSA-N 1 1 348.446 4.055 20 30 EIEDMO COc1cc2c(c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)c1)O[C@H](C)C2 ZINC000506547095 1042587122 /nfs/dbraw/zinc/58/71/22/1042587122.db2.gz ORLMQCZZTDOOFT-OAHLLOKOSA-N 1 1 348.446 4.055 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000506552249 1042591014 /nfs/dbraw/zinc/59/10/14/1042591014.db2.gz DLUIIZPVHZFVQQ-UHFFFAOYSA-N 1 1 328.362 4.324 20 30 EIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000439448528 1042632142 /nfs/dbraw/zinc/63/21/42/1042632142.db2.gz HFRGZGITKYGUNJ-UHFFFAOYSA-N 1 1 338.838 4.015 20 30 EIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000439448528 1042632153 /nfs/dbraw/zinc/63/21/53/1042632153.db2.gz HFRGZGITKYGUNJ-UHFFFAOYSA-N 1 1 338.838 4.015 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439455059 1042639333 /nfs/dbraw/zinc/63/93/33/1042639333.db2.gz TXHVJCWISALJEA-AWEZNQCLSA-N 1 1 345.899 4.152 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000492651071 1042715394 /nfs/dbraw/zinc/71/53/94/1042715394.db2.gz JIZLYCIHCKMUPE-INIZCTEOSA-N 1 1 341.252 4.310 20 30 EIEDMO Cc1cc(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC000443979233 1042716243 /nfs/dbraw/zinc/71/62/43/1042716243.db2.gz OLCRVRGYBCLZTR-UHFFFAOYSA-N 1 1 347.506 4.388 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000174876308 1042717793 /nfs/dbraw/zinc/71/77/93/1042717793.db2.gz OLTZURGVJOKTAR-LPHOPBHVSA-N 1 1 335.451 4.002 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000174876308 1042717798 /nfs/dbraw/zinc/71/77/98/1042717798.db2.gz OLTZURGVJOKTAR-LPHOPBHVSA-N 1 1 335.451 4.002 20 30 EIEDMO Cc1cc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)ccc1C#N ZINC000443992115 1042734301 /nfs/dbraw/zinc/73/43/01/1042734301.db2.gz WJJYHFLCEVBDNF-OAQYLSRUSA-N 1 1 331.394 4.280 20 30 EIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072553318 1042741778 /nfs/dbraw/zinc/74/17/78/1042741778.db2.gz XJYKACVFWGDSDK-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072553318 1042741786 /nfs/dbraw/zinc/74/17/86/1042741786.db2.gz XJYKACVFWGDSDK-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000597160202 1042834399 /nfs/dbraw/zinc/83/43/99/1042834399.db2.gz KNXVXXIAFIDZTD-DLBZAZTESA-N 1 1 338.451 4.165 20 30 EIEDMO CC(C)c1[nH+]ccn1CCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183907902 1042966402 /nfs/dbraw/zinc/96/64/02/1042966402.db2.gz MJGJYWLUHHQMKV-UHFFFAOYSA-N 1 1 344.503 4.011 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320413 1043081437 /nfs/dbraw/zinc/08/14/37/1043081437.db2.gz YHOMPGZKAMOUJF-OAHLLOKOSA-N 1 1 345.855 4.049 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320413 1043081456 /nfs/dbraw/zinc/08/14/56/1043081456.db2.gz YHOMPGZKAMOUJF-OAHLLOKOSA-N 1 1 345.855 4.049 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848849 1043152759 /nfs/dbraw/zinc/15/27/59/1043152759.db2.gz CDGQWTSICHIHNO-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+](C3CC3)[C@@H]3CCCc4ccccc43)n2c1 ZINC000507995640 1043230975 /nfs/dbraw/zinc/23/09/75/1043230975.db2.gz VFOPFONDJIBZPV-OAQYLSRUSA-N 1 1 342.446 4.248 20 30 EIEDMO N#Cc1cc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)cs1 ZINC000921983806 1043258245 /nfs/dbraw/zinc/25/82/45/1043258245.db2.gz ZQNQPSXZIPDQJZ-KRWDZBQOSA-N 1 1 326.469 4.099 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 ZINC000187369081 1043344595 /nfs/dbraw/zinc/34/45/95/1043344595.db2.gz CRAUDJJZEGBWGX-LJQANCHMSA-N 1 1 333.378 4.389 20 30 EIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)o1 ZINC000059372658 1043354845 /nfs/dbraw/zinc/35/48/45/1043354845.db2.gz WNBGAGFPIWNKHP-YWZLYKJASA-N 1 1 336.435 4.318 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195532 1043448161 /nfs/dbraw/zinc/44/81/61/1043448161.db2.gz OPFWOAUDUYGZFC-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1OC ZINC000120993057 1043448605 /nfs/dbraw/zinc/44/86/05/1043448605.db2.gz QWWARVNVAHWSAE-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1OC ZINC000120993057 1043448616 /nfs/dbraw/zinc/44/86/16/1043448616.db2.gz QWWARVNVAHWSAE-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000312442607 1043455598 /nfs/dbraw/zinc/45/55/98/1043455598.db2.gz JDGGDFIFKRZNPV-UHFFFAOYSA-N 1 1 329.241 4.346 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000065950262 1043516084 /nfs/dbraw/zinc/51/60/84/1043516084.db2.gz NNCTZNKTPDQIPJ-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731355789 1043739889 /nfs/dbraw/zinc/73/98/89/1043739889.db2.gz IASWSRQBOOXMHR-KRWDZBQOSA-N 1 1 338.451 4.051 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000428259140 1043831623 /nfs/dbraw/zinc/83/16/23/1043831623.db2.gz YQUPAOBZAAQQST-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000428259140 1043831626 /nfs/dbraw/zinc/83/16/26/1043831626.db2.gz YQUPAOBZAAQQST-OAHLLOKOSA-N 1 1 326.440 4.312 20 30 EIEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000731848061 1043833922 /nfs/dbraw/zinc/83/39/22/1043833922.db2.gz QBAIMXDUHJBYBX-UHFFFAOYSA-N 1 1 336.435 4.087 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2)ccc1C#N ZINC000442796790 1043843896 /nfs/dbraw/zinc/84/38/96/1043843896.db2.gz GWPPUTSZNJRLBP-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2)ccc1C#N ZINC000442796790 1043843897 /nfs/dbraw/zinc/84/38/97/1043843897.db2.gz GWPPUTSZNJRLBP-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001127295289 1043849667 /nfs/dbraw/zinc/84/96/67/1043849667.db2.gz TWRQADGMCJROTI-NSHGMRRFSA-N 1 1 328.500 4.006 20 30 EIEDMO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000731937317 1043850949 /nfs/dbraw/zinc/85/09/49/1043850949.db2.gz JBAPUQQYOPHVIU-HAFIMRKLSA-N 1 1 332.447 4.485 20 30 EIEDMO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)c(F)c1 ZINC000191894107 1043856025 /nfs/dbraw/zinc/85/60/25/1043856025.db2.gz BQHSTQQBIXWZCE-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)c(F)c1 ZINC000191894107 1043856028 /nfs/dbraw/zinc/85/60/28/1043856028.db2.gz BQHSTQQBIXWZCE-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000487422081 1043952294 /nfs/dbraw/zinc/95/22/94/1043952294.db2.gz RDBTZDLYHBGBDA-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299858 /nfs/dbraw/zinc/29/98/58/1044299858.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 1 1 325.500 4.206 20 30 EIEDMO C#Cc1cccc(CNC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019154 1044337939 /nfs/dbraw/zinc/33/79/39/1044337939.db2.gz GXJFUHYOFPBQNU-OALUTQOASA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1cccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019154 1044337955 /nfs/dbraw/zinc/33/79/55/1044337955.db2.gz GXJFUHYOFPBQNU-OALUTQOASA-N 1 1 332.491 4.199 20 30 EIEDMO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000466402864 1044395211 /nfs/dbraw/zinc/39/52/11/1044395211.db2.gz AIRAXDBVKFQMMN-PKOBYXMFSA-N 1 1 335.536 4.027 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2cccc(C)c2)c1C ZINC000914693162 1044663004 /nfs/dbraw/zinc/66/30/04/1044663004.db2.gz NHJIEAWUCXUPNI-NRFANRHFSA-N 1 1 338.499 4.344 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000118393877 1044668500 /nfs/dbraw/zinc/66/85/00/1044668500.db2.gz FNUVRVKSAWHIGJ-LIRRHRJNSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000118393877 1044668510 /nfs/dbraw/zinc/66/85/10/1044668510.db2.gz FNUVRVKSAWHIGJ-LIRRHRJNSA-N 1 1 326.827 4.346 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nc(CCC)no2)C(C)(C)C)cc1 ZINC000474159495 1044722109 /nfs/dbraw/zinc/72/21/09/1044722109.db2.gz JDBXRKBMASDEJH-UHFFFAOYSA-N 1 1 343.471 4.388 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nc(CCC)no2)C(C)(C)C)cc1 ZINC000474159495 1044722118 /nfs/dbraw/zinc/72/21/18/1044722118.db2.gz JDBXRKBMASDEJH-UHFFFAOYSA-N 1 1 343.471 4.388 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000676556605 1044789351 /nfs/dbraw/zinc/78/93/51/1044789351.db2.gz SONSAMUCQWNXQV-IRLDBZIGSA-N 1 1 337.438 4.277 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000735307069 1044791828 /nfs/dbraw/zinc/79/18/28/1044791828.db2.gz YUYGKRMJKYTGFM-UHFFFAOYSA-N 1 1 332.856 4.468 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000735307069 1044791843 /nfs/dbraw/zinc/79/18/43/1044791843.db2.gz YUYGKRMJKYTGFM-UHFFFAOYSA-N 1 1 332.856 4.468 20 30 EIEDMO C[N@@H+](CCCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308859 1044798982 /nfs/dbraw/zinc/79/89/82/1044798982.db2.gz WKRRUJOHHAJALF-UHFFFAOYSA-N 1 1 328.843 4.307 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318565 1044830900 /nfs/dbraw/zinc/83/09/00/1044830900.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318565 1044830903 /nfs/dbraw/zinc/83/09/03/1044830903.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318565 1044830905 /nfs/dbraw/zinc/83/09/05/1044830905.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 1 1 339.508 4.105 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1)C(C)C ZINC000154841341 1044841063 /nfs/dbraw/zinc/84/10/63/1044841063.db2.gz VRVNCTOJCKLBIR-UHFFFAOYSA-N 1 1 335.451 4.065 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906935 1044858937 /nfs/dbraw/zinc/85/89/37/1044858937.db2.gz MDTDKIAWBKGJSA-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906935 1044858939 /nfs/dbraw/zinc/85/89/39/1044858939.db2.gz MDTDKIAWBKGJSA-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800174 1044894405 /nfs/dbraw/zinc/89/44/05/1044894405.db2.gz GTOHOMTYHXEBMS-AOMKIAJQSA-N 1 1 346.430 4.119 20 30 EIEDMO CSC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293406 1044899065 /nfs/dbraw/zinc/89/90/65/1044899065.db2.gz NEECPWZGIJUGRI-HNNXBMFYSA-N 1 1 343.414 4.012 20 30 EIEDMO C=C(C)COCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000474428633 1044977936 /nfs/dbraw/zinc/97/79/36/1044977936.db2.gz RXGLNEFBBFAGCL-NRFANRHFSA-N 1 1 348.446 4.274 20 30 EIEDMO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000429364108 1045013346 /nfs/dbraw/zinc/01/33/46/1045013346.db2.gz LKWMWQKJVCCBDM-MLGOLLRUSA-N 1 1 346.272 4.106 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000392078180 1045014899 /nfs/dbraw/zinc/01/48/99/1045014899.db2.gz ARLXMIAZPIFQPJ-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657021 1045048994 /nfs/dbraw/zinc/04/89/94/1045048994.db2.gz VOTAIRGRXQBICO-TZIWHRDSSA-N 1 1 343.515 4.294 20 30 EIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000126013801 1045085028 /nfs/dbraw/zinc/08/50/28/1045085028.db2.gz PYGJUMAVBKNMFO-CQSZACIVSA-N 1 1 330.391 4.145 20 30 EIEDMO N#Cc1ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000393827643 1045134636 /nfs/dbraw/zinc/13/46/36/1045134636.db2.gz IHTMPGYYMYQMDD-GOSISDBHSA-N 1 1 339.508 4.012 20 30 EIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131197286 1045171760 /nfs/dbraw/zinc/17/17/60/1045171760.db2.gz GIDNVVNKGNWADH-UHFFFAOYSA-N 1 1 348.425 4.132 20 30 EIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131197286 1045171767 /nfs/dbraw/zinc/17/17/67/1045171767.db2.gz GIDNVVNKGNWADH-UHFFFAOYSA-N 1 1 348.425 4.132 20 30 EIEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000739930775 1045175950 /nfs/dbraw/zinc/17/59/50/1045175950.db2.gz ORGCQXILOSVJLI-INIZCTEOSA-N 1 1 326.278 4.161 20 30 EIEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000739929620 1045176586 /nfs/dbraw/zinc/17/65/86/1045176586.db2.gz FPNVYODYZVKBCJ-INIZCTEOSA-N 1 1 326.278 4.161 20 30 EIEDMO N#CC1(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCOCC1 ZINC000282428985 1045202979 /nfs/dbraw/zinc/20/29/79/1045202979.db2.gz JZBGZAMSPABRJC-WKCHPHFGSA-N 1 1 338.495 4.498 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001272610546 1045208430 /nfs/dbraw/zinc/20/84/30/1045208430.db2.gz IGNVEAKWIFEAST-SVFBPWRDSA-N 1 1 347.547 4.067 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CC/C=C\c1ccc(Br)cc1)C1CC1 ZINC000611091289 1045252731 /nfs/dbraw/zinc/25/27/31/1045252731.db2.gz PXVVMKNACSBCPV-XBPVQUQDSA-N 1 1 333.273 4.476 20 30 EIEDMO C=CC[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477572 1045254550 /nfs/dbraw/zinc/25/45/50/1045254550.db2.gz VMPRVQGIVMTPBG-LEWJYISDSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477572 1045254557 /nfs/dbraw/zinc/25/45/57/1045254557.db2.gz VMPRVQGIVMTPBG-LEWJYISDSA-N 1 1 335.495 4.342 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000611235860 1045263956 /nfs/dbraw/zinc/26/39/56/1045263956.db2.gz DKGKAIQEHORBQO-SFHVURJKSA-N 1 1 345.446 4.428 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266773 1045271488 /nfs/dbraw/zinc/27/14/88/1045271488.db2.gz LVLXRQBWSGCOQQ-LPHOPBHVSA-N 1 1 326.465 4.219 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000611276539 1045273659 /nfs/dbraw/zinc/27/36/59/1045273659.db2.gz JCSVSKRXDQAIJS-CEWLAPEOSA-N 1 1 332.447 4.324 20 30 EIEDMO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387051 1045295105 /nfs/dbraw/zinc/29/51/05/1045295105.db2.gz YRWIDZHFWLFTPJ-CQSZACIVSA-N 1 1 348.402 4.332 20 30 EIEDMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000611389277 1045295155 /nfs/dbraw/zinc/29/51/55/1045295155.db2.gz RYKNTYSAXZQLID-AWEZNQCLSA-N 1 1 333.391 4.073 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000611393775 1045298803 /nfs/dbraw/zinc/29/88/03/1045298803.db2.gz YCMNMNQXWFEADL-KRWDZBQOSA-N 1 1 335.432 4.442 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CC3CC3)c3ccccc3)o2)cc1 ZINC000611395756 1045300135 /nfs/dbraw/zinc/30/01/35/1045300135.db2.gz SKVJZCGXFXMMGD-LJQANCHMSA-N 1 1 344.418 4.239 20 30 EIEDMO C[C@H]([NH2+][C@H](CN1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438273 1045307981 /nfs/dbraw/zinc/30/79/81/1045307981.db2.gz AUOFNUMVINUFSI-PGRDOPGGSA-N 1 1 333.479 4.436 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000611488262 1045317629 /nfs/dbraw/zinc/31/76/29/1045317629.db2.gz PDXKFNGIOIAPQG-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000611488262 1045317640 /nfs/dbraw/zinc/31/76/40/1045317640.db2.gz PDXKFNGIOIAPQG-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000611488262 1045317649 /nfs/dbraw/zinc/31/76/49/1045317649.db2.gz PDXKFNGIOIAPQG-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000533524084 1045538411 /nfs/dbraw/zinc/53/84/11/1045538411.db2.gz AMAWIOSGXAESCM-HXUWFJFHSA-N 1 1 330.435 4.172 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000533524084 1045538429 /nfs/dbraw/zinc/53/84/29/1045538429.db2.gz AMAWIOSGXAESCM-HXUWFJFHSA-N 1 1 330.435 4.172 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000790965596 1045640685 /nfs/dbraw/zinc/64/06/85/1045640685.db2.gz SFMLTWBAQOOHNV-ZDUSSCGKSA-N 1 1 349.228 4.013 20 30 EIEDMO CC(=O)c1ccc(C#N)c(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000347452722 1045646821 /nfs/dbraw/zinc/64/68/21/1045646821.db2.gz RHWCAZQKOFRQDE-INIZCTEOSA-N 1 1 335.451 4.083 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000767905711 1045680183 /nfs/dbraw/zinc/68/01/83/1045680183.db2.gz HDAONWKLJGJGHL-VXKWHMMOSA-N 1 1 334.463 4.079 20 30 EIEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)c(C)c1 ZINC001169978438 1045694975 /nfs/dbraw/zinc/69/49/75/1045694975.db2.gz AFIYWJKHWPCNPD-HXUWFJFHSA-N 1 1 334.463 4.434 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173770 1045736600 /nfs/dbraw/zinc/73/66/00/1045736600.db2.gz DWNBCZXPDMRPJL-HNNXBMFYSA-N 1 1 344.842 4.142 20 30 EIEDMO CC(C)[N@@H+](CCCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000071016270 1045771145 /nfs/dbraw/zinc/77/11/45/1045771145.db2.gz SOKNRQBKSKAMKM-UHFFFAOYSA-N 1 1 341.377 4.048 20 30 EIEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247074846 1045839135 /nfs/dbraw/zinc/83/91/35/1045839135.db2.gz CQIJQKPSILPITR-QUCCMNQESA-N 1 1 345.531 4.159 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000792233271 1045879728 /nfs/dbraw/zinc/87/97/28/1045879728.db2.gz ZANSFASMFVPKMQ-HXUWFJFHSA-N 1 1 344.405 4.028 20 30 EIEDMO C=CCn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1cccc(C)c1 ZINC000916009671 1045880218 /nfs/dbraw/zinc/88/02/18/1045880218.db2.gz YDYZEPXUORWDAT-UHFFFAOYSA-N 1 1 339.468 4.072 20 30 EIEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000249460246 1045896995 /nfs/dbraw/zinc/89/69/95/1045896995.db2.gz QRPHOQBXIATTNH-BFYDXBDKSA-N 1 1 345.512 4.140 20 30 EIEDMO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769318049 1045919727 /nfs/dbraw/zinc/91/97/27/1045919727.db2.gz HIXSKXCOONLOHC-NQIIRXRSSA-N 1 1 334.463 4.493 20 30 EIEDMO C=C(C)C[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204669 1045925927 /nfs/dbraw/zinc/92/59/27/1045925927.db2.gz FBWBVPDVSDIJNG-AZUAARDMSA-N 1 1 333.520 4.437 20 30 EIEDMO Cc1c(C[N@H+](CCC#N)CC(C)(C)C)sc2nc(C)nc(C)c12 ZINC000769335919 1045926459 /nfs/dbraw/zinc/92/64/59/1045926459.db2.gz VBLMSLZSWOAVPG-UHFFFAOYSA-N 1 1 330.501 4.378 20 30 EIEDMO Cc1c(C[N@@H+](CCC#N)CC(C)(C)C)sc2nc(C)nc(C)c12 ZINC000769335919 1045926470 /nfs/dbraw/zinc/92/64/70/1045926470.db2.gz VBLMSLZSWOAVPG-UHFFFAOYSA-N 1 1 330.501 4.378 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170199109 1045938230 /nfs/dbraw/zinc/93/82/30/1045938230.db2.gz IMCNPOKXUZNDOO-AWEZNQCLSA-N 1 1 326.469 4.001 20 30 EIEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000496469995 1045954656 /nfs/dbraw/zinc/95/46/56/1045954656.db2.gz IWOQKLLJGCCHQZ-MRXNPFEDSA-N 1 1 343.471 4.356 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000769463763 1045984136 /nfs/dbraw/zinc/98/41/36/1045984136.db2.gz PXGWIPDXKZDYKC-UHFFFAOYSA-N 1 1 330.472 4.382 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000769499228 1045997194 /nfs/dbraw/zinc/99/71/94/1045997194.db2.gz PBNVFYNFASKQFK-JOCHJYFZSA-N 1 1 349.474 4.127 20 30 EIEDMO CCCCC[NH+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170386902 1046025071 /nfs/dbraw/zinc/02/50/71/1046025071.db2.gz OIECULMOMUUYPL-UHFFFAOYSA-N 1 1 339.527 4.198 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001170387438 1046025829 /nfs/dbraw/zinc/02/58/29/1046025829.db2.gz UOZWMPAXIFMOKQ-KPQWGBOZSA-N 1 1 331.463 4.275 20 30 EIEDMO COc1ccc2c(c1)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170389162 1046026518 /nfs/dbraw/zinc/02/65/18/1046026518.db2.gz LTCBXAMPVJBENI-UHFFFAOYSA-N 1 1 332.447 4.415 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378719 1046033381 /nfs/dbraw/zinc/03/33/81/1046033381.db2.gz JIMKWOOHJIVSCB-UHFFFAOYSA-N 1 1 344.462 4.201 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378719 1046033399 /nfs/dbraw/zinc/03/33/99/1046033399.db2.gz JIMKWOOHJIVSCB-UHFFFAOYSA-N 1 1 344.462 4.201 20 30 EIEDMO COc1ccc2c(c1)CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170379203 1046034803 /nfs/dbraw/zinc/03/48/03/1046034803.db2.gz SWIMMMVOFZRKTQ-UHFFFAOYSA-N 1 1 346.474 4.457 20 30 EIEDMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170402903 1046038984 /nfs/dbraw/zinc/03/89/84/1046038984.db2.gz BTGRFHRBQLGLNY-WQMHRJNTSA-N 1 1 346.474 4.326 20 30 EIEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000769767652 1046060729 /nfs/dbraw/zinc/06/07/29/1046060729.db2.gz ZRGFVRRKAQRAAU-CVEARBPZSA-N 1 1 337.508 4.036 20 30 EIEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952142 1046116065 /nfs/dbraw/zinc/11/60/65/1046116065.db2.gz YJLJXJFYNMODFS-IRXDYDNUSA-N 1 1 349.519 4.086 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413686 1046143897 /nfs/dbraw/zinc/14/38/97/1046143897.db2.gz MPRJAJYSNMMANS-MDOVXXIYSA-N 1 1 342.870 4.369 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000770292828 1046174739 /nfs/dbraw/zinc/17/47/39/1046174739.db2.gz UCWAAUDKICMNBB-PKOBYXMFSA-N 1 1 343.492 4.401 20 30 EIEDMO CN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000770381400 1046188130 /nfs/dbraw/zinc/18/81/30/1046188130.db2.gz QVQLXNKJAUFUBC-UHFFFAOYSA-N 1 1 335.426 4.053 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000124324662 1046232141 /nfs/dbraw/zinc/23/21/41/1046232141.db2.gz WHSXFSDDHVWTED-OAHLLOKOSA-N 1 1 327.424 4.119 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770710806 1046260128 /nfs/dbraw/zinc/26/01/28/1046260128.db2.gz MKCKQGXUBTZUDJ-IBGZPJMESA-N 1 1 347.405 4.400 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000793522430 1046265838 /nfs/dbraw/zinc/26/58/38/1046265838.db2.gz PVTVIGOUXJRQMI-WBVHZDCISA-N 1 1 349.450 4.249 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000916987342 1046527598 /nfs/dbraw/zinc/52/75/98/1046527598.db2.gz RSZIGNGMCJZIKO-HNNXBMFYSA-N 1 1 343.826 4.401 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000917001396 1046550578 /nfs/dbraw/zinc/55/05/78/1046550578.db2.gz QARWXHMVGNHQAD-GOSISDBHSA-N 1 1 335.369 4.427 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000941 1046551916 /nfs/dbraw/zinc/55/19/16/1046551916.db2.gz DMAFWILKNZTTAT-SFHVURJKSA-N 1 1 335.369 4.427 20 30 EIEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(N(C)C)cc1 ZINC000917075516 1046638039 /nfs/dbraw/zinc/63/80/39/1046638039.db2.gz YHZHGDIOXNUPTB-UHFFFAOYSA-N 1 1 346.478 4.288 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CCc3ccccc3)n2c1 ZINC000536672834 1046658497 /nfs/dbraw/zinc/65/84/97/1046658497.db2.gz ROVXQPNFQQHRSJ-HXUWFJFHSA-N 1 1 344.462 4.193 20 30 EIEDMO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000917097332 1046691479 /nfs/dbraw/zinc/69/14/79/1046691479.db2.gz NLHQHNCLPHVTBX-OAHLLOKOSA-N 1 1 341.480 4.127 20 30 EIEDMO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000917097332 1046691497 /nfs/dbraw/zinc/69/14/97/1046691497.db2.gz NLHQHNCLPHVTBX-OAHLLOKOSA-N 1 1 341.480 4.127 20 30 EIEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000459516751 1046742048 /nfs/dbraw/zinc/74/20/48/1046742048.db2.gz DROMCZWCTICNJB-BETUJISGSA-N 1 1 341.333 4.019 20 30 EIEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000459516751 1046742063 /nfs/dbraw/zinc/74/20/63/1046742063.db2.gz DROMCZWCTICNJB-BETUJISGSA-N 1 1 341.333 4.019 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384302 1046768939 /nfs/dbraw/zinc/76/89/39/1046768939.db2.gz GXWZHVZNZOHFNR-HXUWFJFHSA-N 1 1 341.499 4.000 20 30 EIEDMO COc1cccc2c(NCc3ccc(OCC#N)cc3)c(C)c[nH+]c12 ZINC000786781952 1046869969 /nfs/dbraw/zinc/86/99/69/1046869969.db2.gz IKTQVUNBPGPCLL-UHFFFAOYSA-N 1 1 333.391 4.066 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC#Cc4ccc(F)cc4)C3)nc2c1 ZINC000537017607 1046889844 /nfs/dbraw/zinc/88/98/44/1046889844.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 1 1 347.437 4.242 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC#Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000537017607 1046889850 /nfs/dbraw/zinc/88/98/50/1046889850.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 1 1 347.437 4.242 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC#Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000537017607 1046889854 /nfs/dbraw/zinc/88/98/54/1046889854.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 1 1 347.437 4.242 20 30 EIEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCOc1ccccc1C#N ZINC000497613091 1046890715 /nfs/dbraw/zinc/89/07/15/1046890715.db2.gz VVOFLPDQZDCMHW-CQSZACIVSA-N 1 1 337.448 4.240 20 30 EIEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCOc1ccccc1C#N ZINC000497613091 1046890722 /nfs/dbraw/zinc/89/07/22/1046890722.db2.gz VVOFLPDQZDCMHW-CQSZACIVSA-N 1 1 337.448 4.240 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617766 1046893015 /nfs/dbraw/zinc/89/30/15/1046893015.db2.gz AWMQMUIRYRIRBH-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617766 1046893018 /nfs/dbraw/zinc/89/30/18/1046893018.db2.gz AWMQMUIRYRIRBH-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620085 1046897997 /nfs/dbraw/zinc/89/79/97/1046897997.db2.gz XMDSZDDUIHSWCF-MRXNPFEDSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620085 1046898002 /nfs/dbraw/zinc/89/80/02/1046898002.db2.gz XMDSZDDUIHSWCF-MRXNPFEDSA-N 1 1 346.434 4.500 20 30 EIEDMO Cc1c(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)cnn1C(C)C ZINC000787187398 1046941907 /nfs/dbraw/zinc/94/19/07/1046941907.db2.gz RFQKBPVBSKLOGI-MDZDMXLPSA-N 1 1 336.439 4.440 20 30 EIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749782 1047002478 /nfs/dbraw/zinc/00/24/78/1047002478.db2.gz SGAGQWNWCMHWAT-KSSFIOAISA-N 1 1 341.842 4.220 20 30 EIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749782 1047002488 /nfs/dbraw/zinc/00/24/88/1047002488.db2.gz SGAGQWNWCMHWAT-KSSFIOAISA-N 1 1 341.842 4.220 20 30 EIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000537206473 1047027177 /nfs/dbraw/zinc/02/71/77/1047027177.db2.gz UNNJZWNFEYHTAD-UHFFFAOYSA-N 1 1 347.203 4.175 20 30 EIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000537206473 1047027193 /nfs/dbraw/zinc/02/71/93/1047027193.db2.gz UNNJZWNFEYHTAD-UHFFFAOYSA-N 1 1 347.203 4.175 20 30 EIEDMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495484 1047084743 /nfs/dbraw/zinc/08/47/43/1047084743.db2.gz AACFTRANGHSPJW-CLWJZODNSA-N 1 1 349.519 4.179 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000128831458 1047101150 /nfs/dbraw/zinc/10/11/50/1047101150.db2.gz VQFSTVZXIGDVMJ-ZWKOTPCHSA-N 1 1 341.499 4.124 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788532140 1047227223 /nfs/dbraw/zinc/22/72/23/1047227223.db2.gz LFNNCDFKDXFYGN-LLVKDONJSA-N 1 1 336.769 4.199 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000666866332 1047270774 /nfs/dbraw/zinc/27/07/74/1047270774.db2.gz MUEMUWKTDGCHLF-GOSISDBHSA-N 1 1 343.515 4.487 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000788751769 1047283288 /nfs/dbraw/zinc/28/32/88/1047283288.db2.gz AONLAYRFPZGHIO-ZMZPIMSZSA-N 1 1 347.365 4.423 20 30 EIEDMO C=CCCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000476085769 1047304727 /nfs/dbraw/zinc/30/47/27/1047304727.db2.gz VDFOEKQIKKJUAY-QUCCMNQESA-N 1 1 340.511 4.244 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2cccc3ccccc32)n1 ZINC000789325717 1047402834 /nfs/dbraw/zinc/40/28/34/1047402834.db2.gz IQYHPOGMXOGETL-UHFFFAOYSA-N 1 1 331.463 4.124 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccccc1-c1cccnc1 ZINC001170111630 1047442898 /nfs/dbraw/zinc/44/28/98/1047442898.db2.gz NTNDWTKCLPPIRH-UHFFFAOYSA-N 1 1 341.418 4.291 20 30 EIEDMO N#CCCn1cc(CNc2ccc(C3CC3)c[nH+]2)c(-c2ccccc2)n1 ZINC000897711953 1047471349 /nfs/dbraw/zinc/47/13/49/1047471349.db2.gz IUKDUPIVACHTHP-UHFFFAOYSA-N 1 1 343.434 4.348 20 30 EIEDMO COc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1OCCCC#N ZINC000130226238 1047658657 /nfs/dbraw/zinc/65/86/57/1047658657.db2.gz OWUGZBLDNWTFTK-UHFFFAOYSA-N 1 1 328.456 4.285 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000824656787 1047895871 /nfs/dbraw/zinc/89/58/71/1047895871.db2.gz MTIWSDFBKXYPPJ-FCHUYYIVSA-N 1 1 346.474 4.330 20 30 EIEDMO C=CC[N@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)C1CCCCC1 ZINC001136923331 1047900883 /nfs/dbraw/zinc/90/08/83/1047900883.db2.gz NMIOEDGZEUKUEN-UHFFFAOYSA-N 1 1 332.488 4.058 20 30 EIEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC001171068866 1047949905 /nfs/dbraw/zinc/94/99/05/1047949905.db2.gz PIOJFGIBKWNJMW-QGZVFWFLSA-N 1 1 341.499 4.424 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C1 ZINC000556817783 1048036798 /nfs/dbraw/zinc/03/67/98/1048036798.db2.gz PEFKGYTWFGJSHD-RBUKOAKNSA-N 1 1 345.446 4.026 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C1 ZINC000556817783 1048036809 /nfs/dbraw/zinc/03/68/09/1048036809.db2.gz PEFKGYTWFGJSHD-RBUKOAKNSA-N 1 1 345.446 4.026 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)cc1 ZINC001143731264 1048176058 /nfs/dbraw/zinc/17/60/58/1048176058.db2.gz QHRZYUPRURWCMN-MRXNPFEDSA-N 1 1 326.827 4.210 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCCc2ccc(F)cc21 ZINC001170768622 1048205096 /nfs/dbraw/zinc/20/50/96/1048205096.db2.gz BNEXKGCDIKEDLX-OAQYLSRUSA-N 1 1 338.426 4.223 20 30 EIEDMO CC(C)c1nccnc1N=NC1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814917382 1048258358 /nfs/dbraw/zinc/25/83/58/1048258358.db2.gz UREPNQZIGOGBDH-INIZCTEOSA-N 1 1 337.471 4.052 20 30 EIEDMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369967 1048295664 /nfs/dbraw/zinc/29/56/64/1048295664.db2.gz PBANUFPJFKXMSN-KZULUSFZSA-N 1 1 332.806 4.077 20 30 EIEDMO COc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(F)c1F ZINC001143910588 1048296689 /nfs/dbraw/zinc/29/66/89/1048296689.db2.gz JMYVVSKALSTARL-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815026872 1048308010 /nfs/dbraw/zinc/30/80/10/1048308010.db2.gz VZMFBWORXFWCAK-LJQANCHMSA-N 1 1 334.419 4.248 20 30 EIEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2cccc3ccccc32)C2CC2)cc1 ZINC000815028020 1048308709 /nfs/dbraw/zinc/30/87/09/1048308709.db2.gz OGPVNMJMAARYDC-QHCPKHFHSA-N 1 1 342.442 4.409 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c(F)c1 ZINC000195228135 1048389773 /nfs/dbraw/zinc/38/97/73/1048389773.db2.gz NSXHBETXBIOSCB-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2CCCC(C)(C)C#N ZINC000809568336 1048404430 /nfs/dbraw/zinc/40/44/30/1048404430.db2.gz LTTNIRBWIPGPOY-UHFFFAOYSA-N 1 1 349.519 4.086 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809605927 1048412829 /nfs/dbraw/zinc/41/28/29/1048412829.db2.gz JTYMYBXWZRUAMX-IBGZPJMESA-N 1 1 332.491 4.190 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809605927 1048412838 /nfs/dbraw/zinc/41/28/38/1048412838.db2.gz JTYMYBXWZRUAMX-IBGZPJMESA-N 1 1 332.491 4.190 20 30 EIEDMO C[NH+](C)[C@H](CNc1ncccc1CC#N)c1ccc(Cl)cc1Cl ZINC001170584710 1048461885 /nfs/dbraw/zinc/46/18/85/1048461885.db2.gz DRGOKPRXDSQPJM-MRXNPFEDSA-N 1 1 349.265 4.169 20 30 EIEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000809686022 1048474192 /nfs/dbraw/zinc/47/41/92/1048474192.db2.gz IMBNIWMSXLIRTJ-ZDUSSCGKSA-N 1 1 335.270 4.074 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc1 ZINC001144166521 1048478616 /nfs/dbraw/zinc/47/86/16/1048478616.db2.gz JELPAIDIOQKYLA-QGZVFWFLSA-N 1 1 331.341 4.309 20 30 EIEDMO Cc1ccc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c(C#N)n1 ZINC001170587458 1048538343 /nfs/dbraw/zinc/53/83/43/1048538343.db2.gz FBEOZTXECYNELD-KRWDZBQOSA-N 1 1 349.265 4.283 20 30 EIEDMO CCOc1ccc(O)c(/C=N\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000920175088 1048575142 /nfs/dbraw/zinc/57/51/42/1048575142.db2.gz TYSXVMBWAFKGTA-KDNRWNGDSA-N 1 1 338.451 4.045 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175622 1048575365 /nfs/dbraw/zinc/57/53/65/1048575365.db2.gz YZKLFLJJKFJMJT-KTKVCYSRSA-N 1 1 345.446 4.195 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170592071 1048587249 /nfs/dbraw/zinc/58/72/49/1048587249.db2.gz GWINWEMFXRJCOE-IEBWSBKVSA-N 1 1 348.535 4.149 20 30 EIEDMO C#CC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)[C@@H]1CCc2ccccc21 ZINC001144416118 1048651096 /nfs/dbraw/zinc/65/10/96/1048651096.db2.gz XWKRROJCQMRKJE-GOSISDBHSA-N 1 1 335.838 4.339 20 30 EIEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)cc1F ZINC000609316086 1048679337 /nfs/dbraw/zinc/67/93/37/1048679337.db2.gz ZOUZORCHUCTUPB-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO [NH2+]=C(Nc1ccc2[nH]c(C3CC3)cc2n1)c1ccc2cc(O)ccc2c1 ZINC001171187150 1048679813 /nfs/dbraw/zinc/67/98/13/1048679813.db2.gz VKEBOEHQSGZMIG-UHFFFAOYSA-N 1 1 342.402 4.336 20 30 EIEDMO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000810340952 1048764879 /nfs/dbraw/zinc/76/48/79/1048764879.db2.gz ZQRQDURNWGDGKS-UHFFFAOYSA-N 1 1 346.474 4.211 20 30 EIEDMO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001137654521 1048818791 /nfs/dbraw/zinc/81/87/91/1048818791.db2.gz VXIJHDFULALJKS-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001171220714 1048854986 /nfs/dbraw/zinc/85/49/86/1048854986.db2.gz BCIGMBWZIFCFJL-SFHVURJKSA-N 1 1 334.463 4.170 20 30 EIEDMO C=CCCCCCCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000810764769 1048864684 /nfs/dbraw/zinc/86/46/84/1048864684.db2.gz RDDQKNYJAYDMJD-UHFFFAOYSA-N 1 1 343.515 4.249 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230243 1048871388 /nfs/dbraw/zinc/87/13/88/1048871388.db2.gz CACMRGGSZLPOTF-UTKZUKDTSA-N 1 1 334.463 4.473 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171232449 1048878005 /nfs/dbraw/zinc/87/80/05/1048878005.db2.gz SKXJIXPQAPSSEX-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171232449 1048878007 /nfs/dbraw/zinc/87/80/07/1048878007.db2.gz SKXJIXPQAPSSEX-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171232449 1048878009 /nfs/dbraw/zinc/87/80/09/1048878009.db2.gz SKXJIXPQAPSSEX-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619144 1048953769 /nfs/dbraw/zinc/95/37/69/1048953769.db2.gz NCXYOIDHNPNDLZ-RXVVDRJESA-N 1 1 340.511 4.260 20 30 EIEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000847023490 1048981933 /nfs/dbraw/zinc/98/19/33/1048981933.db2.gz NADNMLAAKXVRLE-KRWDZBQOSA-N 1 1 326.484 4.217 20 30 EIEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000847023490 1048981948 /nfs/dbraw/zinc/98/19/48/1048981948.db2.gz NADNMLAAKXVRLE-KRWDZBQOSA-N 1 1 326.484 4.217 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000135141288 1049076041 /nfs/dbraw/zinc/07/60/41/1049076041.db2.gz DTBIPVWCXJIHSF-LJQANCHMSA-N 1 1 338.451 4.262 20 30 EIEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000811489524 1049083751 /nfs/dbraw/zinc/08/37/51/1049083751.db2.gz FICUQHOAJLALEH-GFCCVEGCSA-N 1 1 337.370 4.023 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000811489524 1049083763 /nfs/dbraw/zinc/08/37/63/1049083763.db2.gz FICUQHOAJLALEH-GFCCVEGCSA-N 1 1 337.370 4.023 20 30 EIEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000811489526 1049085948 /nfs/dbraw/zinc/08/59/48/1049085948.db2.gz FICUQHOAJLALEH-LBPRGKRZSA-N 1 1 337.370 4.023 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000811489526 1049085965 /nfs/dbraw/zinc/08/59/65/1049085965.db2.gz FICUQHOAJLALEH-LBPRGKRZSA-N 1 1 337.370 4.023 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccc(Cl)cc1 ZINC000811516050 1049102911 /nfs/dbraw/zinc/10/29/11/1049102911.db2.gz CLHLCKOIGJTRLE-HNNXBMFYSA-N 1 1 336.218 4.172 20 30 EIEDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609540574 1049144451 /nfs/dbraw/zinc/14/44/51/1049144451.db2.gz FCVMJIRKPJRYGL-CQSZACIVSA-N 1 1 347.528 4.195 20 30 EIEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001171307667 1049170181 /nfs/dbraw/zinc/17/01/81/1049170181.db2.gz NPCRKXDLHYMSBU-SJORKVTESA-N 1 1 334.504 4.293 20 30 EIEDMO Cc1ccccc1C[N@H+]1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000609891682 1049383625 /nfs/dbraw/zinc/38/36/25/1049383625.db2.gz ZJIUYNLMRQFWOM-UHFFFAOYSA-N 1 1 339.870 4.232 20 30 EIEDMO C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000609963943 1049421623 /nfs/dbraw/zinc/42/16/23/1049421623.db2.gz KQPVMWZTFWSRSO-QWHCGFSZSA-N 1 1 325.378 4.109 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CCCCC3)C2)c(C#N)c1C ZINC000348142374 1049460897 /nfs/dbraw/zinc/46/08/97/1049460897.db2.gz IXPQTKLVRHGNFG-HNNXBMFYSA-N 1 1 343.471 4.141 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC3(CCCCC3)C2)c(C#N)c1C ZINC000348142374 1049460911 /nfs/dbraw/zinc/46/09/11/1049460911.db2.gz IXPQTKLVRHGNFG-HNNXBMFYSA-N 1 1 343.471 4.141 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1sccc1Br ZINC000773030155 1049540877 /nfs/dbraw/zinc/54/08/77/1049540877.db2.gz LPGCYYZKBVSVLH-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO C=CC[NH+]1CCC(N[C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809691 1049553489 /nfs/dbraw/zinc/55/34/89/1049553489.db2.gz GQQNWGVHBOVKJU-FQEVSTJZSA-N 1 1 344.886 4.457 20 30 EIEDMO C#CCOc1ccc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000812785056 1049575777 /nfs/dbraw/zinc/57/57/77/1049575777.db2.gz DNEWWEDYGMFIJH-UHFFFAOYSA-N 1 1 331.419 4.113 20 30 EIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848012 1049610845 /nfs/dbraw/zinc/61/08/45/1049610845.db2.gz HPNZDDYZNKRZMV-DYESRHJHSA-N 1 1 336.479 4.432 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849956 1049611060 /nfs/dbraw/zinc/61/10/60/1049611060.db2.gz RZJSQEHQRZEJMT-OXJNMPFZSA-N 1 1 327.855 4.136 20 30 EIEDMO C=CCn1c2ccccc2n(C[NH+]2CCC(C)(COC)CC2)c1=S ZINC000773273596 1049684577 /nfs/dbraw/zinc/68/45/77/1049684577.db2.gz ZOUHZYSTOXYUCO-UHFFFAOYSA-N 1 1 345.512 4.064 20 30 EIEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458130 1049711773 /nfs/dbraw/zinc/71/17/73/1049711773.db2.gz NMOMGRZJBIAGAT-ICSRJNTNSA-N 1 1 326.484 4.475 20 30 EIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245436173 1049721590 /nfs/dbraw/zinc/72/15/90/1049721590.db2.gz QUNHMBHCVDKEHB-LVCYWYKZSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245436173 1049721600 /nfs/dbraw/zinc/72/16/00/1049721600.db2.gz QUNHMBHCVDKEHB-LVCYWYKZSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245436172 1049722633 /nfs/dbraw/zinc/72/26/33/1049722633.db2.gz QUNHMBHCVDKEHB-DBXWQHBBSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245436172 1049722646 /nfs/dbraw/zinc/72/26/46/1049722646.db2.gz QUNHMBHCVDKEHB-DBXWQHBBSA-N 1 1 347.462 4.015 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H](C)C#N ZINC000179773039 1049754924 /nfs/dbraw/zinc/75/49/24/1049754924.db2.gz SZFZTTCOGIBYIE-JTQLQIEISA-N 1 1 347.203 4.032 20 30 EIEDMO CC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H](C)C#N ZINC000179773039 1049754931 /nfs/dbraw/zinc/75/49/31/1049754931.db2.gz SZFZTTCOGIBYIE-JTQLQIEISA-N 1 1 347.203 4.032 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171613682 1049764891 /nfs/dbraw/zinc/76/48/91/1049764891.db2.gz OPDGJSZPDILMDL-IXDOHACOSA-N 1 1 349.519 4.036 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171705626 1049780953 /nfs/dbraw/zinc/78/09/53/1049780953.db2.gz DAEYRRPXKMKMFM-YWZLYKJASA-N 1 1 340.854 4.256 20 30 EIEDMO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CCCC#N ZINC001171841103 1049811920 /nfs/dbraw/zinc/81/19/20/1049811920.db2.gz KBRSMTWCSIVQRL-MRXNPFEDSA-N 1 1 326.362 4.286 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842147 1049812534 /nfs/dbraw/zinc/81/25/34/1049812534.db2.gz 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C=CCCCCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC001180199374 1050928546 /nfs/dbraw/zinc/92/85/46/1050928546.db2.gz RIEXSYRNEQGCHT-UHFFFAOYSA-N 1 1 332.879 4.407 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2c(c1)OCCCCO2 ZINC001180331038 1050970318 /nfs/dbraw/zinc/97/03/18/1050970318.db2.gz BKUJKVIVUZMSCH-UHFFFAOYSA-N 1 1 327.424 4.062 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193466 1051057731 /nfs/dbraw/zinc/05/77/31/1051057731.db2.gz HSDXSBXTHINPTE-TZIWHRDSSA-N 1 1 340.511 4.007 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193524 1051057919 /nfs/dbraw/zinc/05/79/19/1051057919.db2.gz IXKXDGTWWIVYQY-AZUAARDMSA-N 1 1 340.511 4.007 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC001180941336 1051116440 /nfs/dbraw/zinc/11/64/40/1051116440.db2.gz DXYYNLSPOXCEGD-QFIPXVFZSA-N 1 1 348.490 4.053 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nccn1C ZINC000183428658 1051121491 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COCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001190635281 1051241136 /nfs/dbraw/zinc/24/11/36/1051241136.db2.gz HHXYYNKLEYNTFM-HNNXBMFYSA-N 1 1 328.843 4.421 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc2cc(Cl)ccc2n1C ZINC001190706866 1051250888 /nfs/dbraw/zinc/25/08/88/1051250888.db2.gz CMUDTHFMDWQKOO-UHFFFAOYSA-N 1 1 339.870 4.457 20 30 EIEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1c(C)cc(C#N)cc1C ZINC001174923668 1051253024 /nfs/dbraw/zinc/25/30/24/1051253024.db2.gz CQVMAMVIVKYVAB-UHFFFAOYSA-N 1 1 338.451 4.085 20 30 EIEDMO C[C@@H]1CCC[C@@H]([N@@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190683492 1051255384 /nfs/dbraw/zinc/25/53/84/1051255384.db2.gz WPJFHMMPPMDFAL-SOLBZPMBSA-N 1 1 328.456 4.346 20 30 EIEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001190895231 1051300753 /nfs/dbraw/zinc/30/07/53/1051300753.db2.gz QABODSWTQMBZRY-ABHNRTSZSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191021455 1051328844 /nfs/dbraw/zinc/32/88/44/1051328844.db2.gz GQGRABUHZWWVCE-HNNXBMFYSA-N 1 1 347.890 4.298 20 30 EIEDMO CCCCCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC001191104999 1051353069 /nfs/dbraw/zinc/35/30/69/1051353069.db2.gz YIJGJTINYGGXQZ-UHFFFAOYSA-N 1 1 328.460 4.332 20 30 EIEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191112936 1051353800 /nfs/dbraw/zinc/35/38/00/1051353800.db2.gz PFRASAZNEUCECI-AZUAARDMSA-N 1 1 345.531 4.309 20 30 EIEDMO C#Cc1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001191119457 1051355821 /nfs/dbraw/zinc/35/58/21/1051355821.db2.gz CYHILAJQUSJAJS-UHFFFAOYSA-N 1 1 343.430 4.288 20 30 EIEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122403 1051358128 /nfs/dbraw/zinc/35/81/28/1051358128.db2.gz QCRITJYCDNYNEZ-LJQANCHMSA-N 1 1 341.499 4.205 20 30 EIEDMO CC#CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000155088036 1051377200 /nfs/dbraw/zinc/37/72/00/1051377200.db2.gz HDKJSLYUAOKZEI-AWEZNQCLSA-N 1 1 340.389 4.158 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccccc1CC)c1ccc(Br)cc1 ZINC001182042722 1051379105 /nfs/dbraw/zinc/37/91/05/1051379105.db2.gz CFIYJMHZYHNDGH-SFHVURJKSA-N 1 1 328.253 4.476 20 30 EIEDMO C=CCCC(C)(C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000620858002 1051381194 /nfs/dbraw/zinc/38/11/94/1051381194.db2.gz RSBZVYIWGKFFBX-KRWDZBQOSA-N 1 1 343.515 4.354 20 30 EIEDMO CCCCN(CC#N)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182241840 1051447383 /nfs/dbraw/zinc/44/73/83/1051447383.db2.gz SMWBITFZKRAOPA-NRFANRHFSA-N 1 1 349.478 4.012 20 30 EIEDMO CCCCN(CC#N)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182241840 1051447387 /nfs/dbraw/zinc/44/73/87/1051447387.db2.gz SMWBITFZKRAOPA-NRFANRHFSA-N 1 1 349.478 4.012 20 30 EIEDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001191426597 1051454837 /nfs/dbraw/zinc/45/48/37/1051454837.db2.gz HTUBCPABRXBMQP-HXUWFJFHSA-N 1 1 325.500 4.057 20 30 EIEDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC001191426597 1051454844 /nfs/dbraw/zinc/45/48/44/1051454844.db2.gz HTUBCPABRXBMQP-HXUWFJFHSA-N 1 1 325.500 4.057 20 30 EIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC001191426597 1051454853 /nfs/dbraw/zinc/45/48/53/1051454853.db2.gz HTUBCPABRXBMQP-HXUWFJFHSA-N 1 1 325.500 4.057 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC001191436821 1051458111 /nfs/dbraw/zinc/45/81/11/1051458111.db2.gz QDSVKZILIVEGQR-GOSISDBHSA-N 1 1 345.364 4.254 20 30 EIEDMO COc1ccc(C[C@H]2CC[N@@H+]2CC#Cc2ccccc2Cl)cc1 ZINC001191495715 1051466845 /nfs/dbraw/zinc/46/68/45/1051466845.db2.gz MTQIRSFCKPNVFQ-GOSISDBHSA-N 1 1 325.839 4.017 20 30 EIEDMO COc1ccc(C[C@H]2CC[N@H+]2CC#Cc2ccccc2Cl)cc1 ZINC001191495715 1051466869 /nfs/dbraw/zinc/46/68/69/1051466869.db2.gz MTQIRSFCKPNVFQ-GOSISDBHSA-N 1 1 325.839 4.017 20 30 EIEDMO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520517 1051472100 /nfs/dbraw/zinc/47/21/00/1051472100.db2.gz HTOOGRNCFLTXDB-DNVJHFABSA-N 1 1 345.490 4.238 20 30 EIEDMO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520524 1051472996 /nfs/dbraw/zinc/47/29/96/1051472996.db2.gz HTOOGRNCFLTXDB-YTFSRNRJSA-N 1 1 345.490 4.238 20 30 EIEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301313 1051484169 /nfs/dbraw/zinc/48/41/69/1051484169.db2.gz QWNWHFFWFMCOKD-SIKLNZKXSA-N 1 1 348.490 4.386 20 30 EIEDMO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@H](C)C#N ZINC000183835832 1051512523 /nfs/dbraw/zinc/51/25/23/1051512523.db2.gz HJNXHSAGQMFXMS-NSHDSACASA-N 1 1 327.291 4.199 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545017 1051636675 /nfs/dbraw/zinc/63/66/75/1051636675.db2.gz UBAJXKUZOYRQGQ-CYBMUJFWSA-N 1 1 332.419 4.324 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001192213412 1051658339 /nfs/dbraw/zinc/65/83/39/1051658339.db2.gz IZMKJTOCYDVQQD-IBGZPJMESA-N 1 1 349.434 4.454 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001182765446 1051703377 /nfs/dbraw/zinc/70/33/77/1051703377.db2.gz UJQHENMSCQGNSO-OAQYLSRUSA-N 1 1 340.511 4.256 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001182765446 1051703392 /nfs/dbraw/zinc/70/33/92/1051703392.db2.gz UJQHENMSCQGNSO-OAQYLSRUSA-N 1 1 340.511 4.256 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001182806629 1051715420 /nfs/dbraw/zinc/71/54/20/1051715420.db2.gz WLFIRKQFSPVWKE-INIZCTEOSA-N 1 1 329.875 4.373 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192390818 1051721868 /nfs/dbraw/zinc/72/18/68/1051721868.db2.gz OXFNQHIDIPSNBN-UHFFFAOYSA-N 1 1 335.407 4.248 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192390818 1051721884 /nfs/dbraw/zinc/72/18/84/1051721884.db2.gz OXFNQHIDIPSNBN-UHFFFAOYSA-N 1 1 335.407 4.248 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000775578349 1051872728 /nfs/dbraw/zinc/87/27/28/1051872728.db2.gz VYTIWHNDGQWEDZ-BFUOFWGJSA-N 1 1 346.833 4.467 20 30 EIEDMO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293720 1051896576 /nfs/dbraw/zinc/89/65/76/1051896576.db2.gz QFJDQARAONKZHG-MRXNPFEDSA-N 1 1 330.435 4.118 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c(F)c1 ZINC001183865237 1051917670 /nfs/dbraw/zinc/91/76/70/1051917670.db2.gz RZCJEZMAEPCHME-HNNXBMFYSA-N 1 1 341.455 4.022 20 30 EIEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001193431046 1051925592 /nfs/dbraw/zinc/92/55/92/1051925592.db2.gz YYVAVAHNSCXJNB-UHFFFAOYSA-N 1 1 347.890 4.442 20 30 EIEDMO CCC1(CC)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001193430767 1051926204 /nfs/dbraw/zinc/92/62/04/1051926204.db2.gz QJBLFVAEMLCBLG-UHFFFAOYSA-N 1 1 327.472 4.179 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC[C@@H](C)C2)c1 ZINC001193516538 1051942095 /nfs/dbraw/zinc/94/20/95/1051942095.db2.gz CYDUJDALETUSQH-VQIMIIECSA-N 1 1 341.499 4.061 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046064 1051944415 /nfs/dbraw/zinc/94/44/15/1051944415.db2.gz SGWPLNCCTZWWRH-VJBWXMMDSA-N 1 1 346.474 4.442 20 30 EIEDMO CC(C)C1CCC(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC001184047060 1051945873 /nfs/dbraw/zinc/94/58/73/1051945873.db2.gz ZVQWSNZZXKMGSL-GZNCHQMQSA-N 1 1 326.484 4.394 20 30 EIEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc(F)cc2F)C1 ZINC001184217246 1051969148 /nfs/dbraw/zinc/96/91/48/1051969148.db2.gz CYFAKLUKRIEEOV-SIIHOXLZSA-N 1 1 331.410 4.122 20 30 EIEDMO C=C[C@@H]1CCCCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943417 1052044661 /nfs/dbraw/zinc/04/46/61/1052044661.db2.gz WUBTVIJGNLNYIK-JOCHJYFZSA-N 1 1 326.528 4.372 20 30 EIEDMO CC(C)c1cccc2c1CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC001194041929 1052059707 /nfs/dbraw/zinc/05/97/07/1052059707.db2.gz IKSXESHIZMZPMN-UHFFFAOYSA-N 1 1 347.462 4.069 20 30 EIEDMO C#CC[N@@H+](C[C@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454138 1052078814 /nfs/dbraw/zinc/07/88/14/1052078814.db2.gz ZPNWZDSLLFMCOL-FPOVZHCZSA-N 1 1 339.479 4.075 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC001194291396 1052129733 /nfs/dbraw/zinc/12/97/33/1052129733.db2.gz NLWIAMDGXPXEDL-KURKYZTESA-N 1 1 335.875 4.464 20 30 EIEDMO CCCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCCC[C@H]1OC ZINC001194348088 1052136154 /nfs/dbraw/zinc/13/61/54/1052136154.db2.gz DSVGGRARVAOJGM-UYAOXDASSA-N 1 1 330.472 4.127 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)ccc1C#N ZINC000774813724 1052159259 /nfs/dbraw/zinc/15/92/59/1052159259.db2.gz FWHRRFWVUDPKLQ-UHFFFAOYSA-N 1 1 332.403 4.368 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cccnc1 ZINC000177839881 1052692162 /nfs/dbraw/zinc/69/21/62/1052692162.db2.gz OGKJPVDADSQRLO-UHFFFAOYSA-N 1 1 341.458 4.413 20 30 EIEDMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000183824275 1052984590 /nfs/dbraw/zinc/98/45/90/1052984590.db2.gz APCDTAORDBTQFA-INIZCTEOSA-N 1 1 330.435 4.097 20 30 EIEDMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C#N ZINC000183824295 1052984874 /nfs/dbraw/zinc/98/48/74/1052984874.db2.gz APCDTAORDBTQFA-MRXNPFEDSA-N 1 1 330.435 4.097 20 30 EIEDMO N#CCCCOc1cccc(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000194403444 1053039926 /nfs/dbraw/zinc/03/99/26/1053039926.db2.gz SUQACOGSZIIVDI-OAQYLSRUSA-N 1 1 349.478 4.098 20 30 EIEDMO N#CCCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205673701 1053077223 /nfs/dbraw/zinc/07/72/23/1053077223.db2.gz YKOWQEUDRLALAW-AWEZNQCLSA-N 1 1 327.255 4.278 20 30 EIEDMO N#CCCCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205673701 1053077233 /nfs/dbraw/zinc/07/72/33/1053077233.db2.gz YKOWQEUDRLALAW-AWEZNQCLSA-N 1 1 327.255 4.278 20 30 EIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[N@H+](C)C1CCC1 ZINC000863861005 1053087821 /nfs/dbraw/zinc/08/78/21/1053087821.db2.gz KFVTVAGDKAUASS-UHFFFAOYSA-N 1 1 349.434 4.082 20 30 EIEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001194875186 1053140576 /nfs/dbraw/zinc/14/05/76/1053140576.db2.gz XOSWJZYWJSTVOZ-CQSZACIVSA-N 1 1 343.833 4.061 20 30 EIEDMO CC1CC[NH+](c2ccc(NCc3cc(C#N)ccc3N(C)C)cc2)CC1 ZINC000864025625 1053165218 /nfs/dbraw/zinc/16/52/18/1053165218.db2.gz MXCJSQKGSRMPJQ-UHFFFAOYSA-N 1 1 348.494 4.473 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775623775 1053193786 /nfs/dbraw/zinc/19/37/86/1053193786.db2.gz NQGMCTSONYHPCA-VQTJNVASSA-N 1 1 340.854 4.300 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775623775 1053193826 /nfs/dbraw/zinc/19/38/26/1053193826.db2.gz NQGMCTSONYHPCA-VQTJNVASSA-N 1 1 340.854 4.300 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)ccc1Cl ZINC001195196826 1053324886 /nfs/dbraw/zinc/32/48/86/1053324886.db2.gz YFJACBGGECOSTJ-OAHLLOKOSA-N 1 1 347.890 4.016 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764963259 1053403185 /nfs/dbraw/zinc/40/31/85/1053403185.db2.gz BWNGECXTCOZNHQ-ZYSHUDEJSA-N 1 1 334.891 4.095 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000764963259 1053403195 /nfs/dbraw/zinc/40/31/95/1053403195.db2.gz BWNGECXTCOZNHQ-ZYSHUDEJSA-N 1 1 334.891 4.095 20 30 EIEDMO Cc1cc2oc(=O)cc(C[N@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000109811771 1053432726 /nfs/dbraw/zinc/43/27/26/1053432726.db2.gz BBVPLADHWDVZGX-UHFFFAOYSA-N 1 1 326.440 4.172 20 30 EIEDMO Cc1cc2oc(=O)cc(C[N@@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000109811771 1053432732 /nfs/dbraw/zinc/43/27/32/1053432732.db2.gz BBVPLADHWDVZGX-UHFFFAOYSA-N 1 1 326.440 4.172 20 30 EIEDMO CC(C)(C)OC(=O)C1([NH2+]CCc2ccc(C#N)cc2)CCCCCC1 ZINC001195768099 1053475054 /nfs/dbraw/zinc/47/50/54/1053475054.db2.gz QLDCUDVHVKWHTQ-UHFFFAOYSA-N 1 1 342.483 4.125 20 30 EIEDMO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](CC#N)C3)c2cc1Cl ZINC000852320131 1053568972 /nfs/dbraw/zinc/56/89/72/1053568972.db2.gz WXHJBUWGXLGCLZ-ZDUSSCGKSA-N 1 1 344.842 4.134 20 30 EIEDMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](CC#N)C3)c2cc1Cl ZINC000852320131 1053568987 /nfs/dbraw/zinc/56/89/87/1053568987.db2.gz WXHJBUWGXLGCLZ-ZDUSSCGKSA-N 1 1 344.842 4.134 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 ZINC000120723296 1053589940 /nfs/dbraw/zinc/58/99/40/1053589940.db2.gz YVAUGYMQAOSWJO-MRXNPFEDSA-N 1 1 336.435 4.151 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852594842 1053594624 /nfs/dbraw/zinc/59/46/24/1053594624.db2.gz DGCMFKIMNLTCDM-YJBOKZPZSA-N 1 1 348.874 4.023 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)o1 ZINC000865843938 1053608071 /nfs/dbraw/zinc/60/80/71/1053608071.db2.gz WDZUPIMSNMRFGT-IBGZPJMESA-N 1 1 334.423 4.439 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001196392791 1053653831 /nfs/dbraw/zinc/65/38/31/1053653831.db2.gz JTDPUJAKKHFQRQ-INIZCTEOSA-N 1 1 342.389 4.225 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866229105 1053656707 /nfs/dbraw/zinc/65/67/07/1053656707.db2.gz NACMGKINDXCCBH-BZNIZROVSA-N 1 1 328.412 4.291 20 30 EIEDMO C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866267236 1053668689 /nfs/dbraw/zinc/66/86/89/1053668689.db2.gz BVMBUFLLLLGSSW-IRXDYDNUSA-N 1 1 349.478 4.140 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000853525240 1053683355 /nfs/dbraw/zinc/68/33/55/1053683355.db2.gz UJTXVWALDNDIES-CYBMUJFWSA-N 1 1 349.265 4.440 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000853525240 1053683363 /nfs/dbraw/zinc/68/33/63/1053683363.db2.gz UJTXVWALDNDIES-CYBMUJFWSA-N 1 1 349.265 4.440 20 30 EIEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC001197041376 1053823610 /nfs/dbraw/zinc/82/36/10/1053823610.db2.gz MKWVBSVONRMGQJ-IBGZPJMESA-N 1 1 338.426 4.344 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121937074 1053861653 /nfs/dbraw/zinc/86/16/53/1053861653.db2.gz NQTZFUBXFKFPNY-OALUTQOASA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121937074 1053861657 /nfs/dbraw/zinc/86/16/57/1053861657.db2.gz NQTZFUBXFKFPNY-OALUTQOASA-N 1 1 342.414 4.159 20 30 EIEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1cc(Cl)ccc1OC(F)F ZINC001168553947 1053896886 /nfs/dbraw/zinc/89/68/86/1053896886.db2.gz YGIBRVKTPYNARI-SNVBAGLBSA-N 1 1 337.757 4.059 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CC2(O)CCCCC2)ccc1F ZINC001197692546 1053975693 /nfs/dbraw/zinc/97/56/93/1053975693.db2.gz NMPBVGFRSSGYKX-GOSISDBHSA-N 1 1 330.447 4.137 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1OC(F)F ZINC000186168215 1054028848 /nfs/dbraw/zinc/02/88/48/1054028848.db2.gz LKTOKHHPNUOLJE-UHFFFAOYSA-N 1 1 346.377 4.109 20 30 EIEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)[C@H]1CCCc2ccccc21 ZINC001198103823 1054078307 /nfs/dbraw/zinc/07/83/07/1054078307.db2.gz KDPPULUJNVGBSE-QFIPXVFZSA-N 1 1 335.495 4.375 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001198269594 1054120173 /nfs/dbraw/zinc/12/01/73/1054120173.db2.gz AVAGELUGTFATQB-OOZJCBPQSA-N 1 1 344.458 4.174 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405857 1054139839 /nfs/dbraw/zinc/13/98/39/1054139839.db2.gz BNWQNKUSJWGBAI-ZWKOTPCHSA-N 1 1 336.520 4.454 20 30 EIEDMO C=CCCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001198458383 1054149565 /nfs/dbraw/zinc/14/95/65/1054149565.db2.gz RCWMEAFNIIUOQL-UHFFFAOYSA-N 1 1 327.222 4.145 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000857075250 1054172774 /nfs/dbraw/zinc/17/27/74/1054172774.db2.gz VTWXCOZCPDGTER-LJQANCHMSA-N 1 1 349.478 4.071 20 30 EIEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCCCC1 ZINC001199160395 1054355060 /nfs/dbraw/zinc/35/50/60/1054355060.db2.gz BTDWCLWUHLVXQI-OAQYLSRUSA-N 1 1 341.543 4.478 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OCCC)cc1 ZINC001199367666 1054399420 /nfs/dbraw/zinc/39/94/20/1054399420.db2.gz XSCCZLJCFZGQSW-UHFFFAOYSA-N 1 1 343.854 4.431 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024022 1054404032 /nfs/dbraw/zinc/40/40/32/1054404032.db2.gz SYYUZMZUKUGYTQ-KKSFZXQISA-N 1 1 347.462 4.435 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000872183231 1054422773 /nfs/dbraw/zinc/42/27/73/1054422773.db2.gz CXKGHGKNEISEOT-ZDUSSCGKSA-N 1 1 340.254 4.386 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000858137797 1054423814 /nfs/dbraw/zinc/42/38/14/1054423814.db2.gz GTKRNTXTDNDLQH-UHFFFAOYSA-N 1 1 325.355 4.069 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277911 1054432895 /nfs/dbraw/zinc/43/28/95/1054432895.db2.gz ASRAIQGJAPVDCV-SFHVURJKSA-N 1 1 348.874 4.166 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012661 1054445613 /nfs/dbraw/zinc/44/56/13/1054445613.db2.gz INULANRJXJZZKO-DVOMOZLQSA-N 1 1 326.362 4.140 20 30 EIEDMO N#CCCOCC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000339012753 1054542065 /nfs/dbraw/zinc/54/20/65/1054542065.db2.gz ILXOJQMMTLTVAA-HXUWFJFHSA-N 1 1 340.854 4.370 20 30 EIEDMO N#CCCOCC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000339012753 1054542083 /nfs/dbraw/zinc/54/20/83/1054542083.db2.gz ILXOJQMMTLTVAA-HXUWFJFHSA-N 1 1 340.854 4.370 20 30 EIEDMO C[C@@H](CCNCc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC001200941839 1054596369 /nfs/dbraw/zinc/59/63/69/1054596369.db2.gz KTBPMJIIKVVYIE-IBGZPJMESA-N 1 1 349.522 4.488 20 30 EIEDMO C[C@@H](CCNCc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200941839 1054596382 /nfs/dbraw/zinc/59/63/82/1054596382.db2.gz KTBPMJIIKVVYIE-IBGZPJMESA-N 1 1 349.522 4.488 20 30 EIEDMO C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC001200941839 1054596396 /nfs/dbraw/zinc/59/63/96/1054596396.db2.gz KTBPMJIIKVVYIE-IBGZPJMESA-N 1 1 349.522 4.488 20 30 EIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC001201474659 1054827637 /nfs/dbraw/zinc/82/76/37/1054827637.db2.gz JLUPZEWNEAZGFK-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO CC(C)n1ncc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475850 1054829148 /nfs/dbraw/zinc/82/91/48/1054829148.db2.gz ZTULLIASTAPOJL-UXHICEINSA-N 1 1 347.466 4.068 20 30 EIEDMO N#CCc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201478093 1054831213 /nfs/dbraw/zinc/83/12/13/1054831213.db2.gz VJPDICYBEDGGQW-YADHBBJMSA-N 1 1 329.447 4.485 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001201813907 1054910858 /nfs/dbraw/zinc/91/08/58/1054910858.db2.gz KTOMDVMDXFIYJL-UHFFFAOYSA-N 1 1 330.516 4.019 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001201776735 1054916039 /nfs/dbraw/zinc/91/60/39/1054916039.db2.gz JMLPWLDOPJEOJV-VAMGGRTRSA-N 1 1 332.488 4.053 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCCCCCCCC ZINC001201839029 1054930956 /nfs/dbraw/zinc/93/09/56/1054930956.db2.gz IAYHFXSREIISIV-IBGZPJMESA-N 1 1 348.535 4.150 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCCCCCCCC ZINC001201839029 1054930970 /nfs/dbraw/zinc/93/09/70/1054930970.db2.gz IAYHFXSREIISIV-IBGZPJMESA-N 1 1 348.535 4.150 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000876692116 1054947441 /nfs/dbraw/zinc/94/74/41/1054947441.db2.gz WZIBMAYFDVQVQL-UHFFFAOYSA-N 1 1 329.444 4.159 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000876692116 1054947454 /nfs/dbraw/zinc/94/74/54/1054947454.db2.gz WZIBMAYFDVQVQL-UHFFFAOYSA-N 1 1 329.444 4.159 20 30 EIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC001137114707 1054984110 /nfs/dbraw/zinc/98/41/10/1054984110.db2.gz WBSZOVOUCARGSG-UHFFFAOYSA-N 1 1 343.430 4.186 20 30 EIEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876941086 1054985850 /nfs/dbraw/zinc/98/58/50/1054985850.db2.gz HBKIIYHTPFSXCV-OAHLLOKOSA-N 1 1 329.831 4.311 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(N2CCCC2)c1 ZINC000877109276 1055019903 /nfs/dbraw/zinc/01/99/03/1055019903.db2.gz DZVZIMHLBZEINW-CQSZACIVSA-N 1 1 340.858 4.058 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000877310547 1055041461 /nfs/dbraw/zinc/04/14/61/1055041461.db2.gz OFSMWLRJCAVJJM-LJQANCHMSA-N 1 1 329.444 4.159 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000877310547 1055041474 /nfs/dbraw/zinc/04/14/74/1055041474.db2.gz OFSMWLRJCAVJJM-LJQANCHMSA-N 1 1 329.444 4.159 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000877522691 1055071618 /nfs/dbraw/zinc/07/16/18/1055071618.db2.gz SGYCJZYVOKWQJV-QGZVFWFLSA-N 1 1 325.456 4.288 20 30 EIEDMO COC(=O)CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001202252190 1055096214 /nfs/dbraw/zinc/09/62/14/1055096214.db2.gz DDIQNEVIBFCOTD-KRWDZBQOSA-N 1 1 336.435 4.075 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898977 1055147543 /nfs/dbraw/zinc/14/75/43/1055147543.db2.gz WYPLAMINJVFIPX-FGZHOGPDSA-N 1 1 332.447 4.264 20 30 EIEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900904 1055148000 /nfs/dbraw/zinc/14/80/00/1055148000.db2.gz YCNLHFVYQNNYRQ-QFIPXVFZSA-N 1 1 334.463 4.339 20 30 EIEDMO CCc1ccc(C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877932438 1055156774 /nfs/dbraw/zinc/15/67/74/1055156774.db2.gz GPYQAZRGKBKKKY-JOCHJYFZSA-N 1 1 334.463 4.121 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000877936301 1055157107 /nfs/dbraw/zinc/15/71/07/1055157107.db2.gz TXSSKRKHCWTBMQ-UHFFFAOYSA-N 1 1 337.423 4.296 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000877936301 1055157110 /nfs/dbraw/zinc/15/71/10/1055157110.db2.gz TXSSKRKHCWTBMQ-UHFFFAOYSA-N 1 1 337.423 4.296 20 30 EIEDMO CN(Cc1ccoc1)Cc1cc(C#N)cc(C[N@H+](C)Cc2ccoc2)c1 ZINC000877989294 1055168957 /nfs/dbraw/zinc/16/89/57/1055168957.db2.gz WSYACOCRGDQHNB-UHFFFAOYSA-N 1 1 349.434 4.008 20 30 EIEDMO CN(Cc1ccoc1)Cc1cc(C#N)cc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000877989294 1055168964 /nfs/dbraw/zinc/16/89/64/1055168964.db2.gz WSYACOCRGDQHNB-UHFFFAOYSA-N 1 1 349.434 4.008 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031157 1055179839 /nfs/dbraw/zinc/17/98/39/1055179839.db2.gz RIOFINUVPHUBST-OFNKIYASSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]([C@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267631 1055226988 /nfs/dbraw/zinc/22/69/88/1055226988.db2.gz CSXNVENAWFACBN-IIBYNOLFSA-N 1 1 336.435 4.246 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]([C@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267631 1055227000 /nfs/dbraw/zinc/22/70/00/1055227000.db2.gz CSXNVENAWFACBN-IIBYNOLFSA-N 1 1 336.435 4.246 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520015 1055331062 /nfs/dbraw/zinc/33/10/62/1055331062.db2.gz FKRDUFXQSDCBMN-WMZHIEFXSA-N 1 1 348.490 4.299 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC000106245273 1055668192 /nfs/dbraw/zinc/66/81/92/1055668192.db2.gz OVMZMJXCARGOCO-KRWDZBQOSA-N 1 1 346.515 4.003 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384218 1055795009 /nfs/dbraw/zinc/79/50/09/1055795009.db2.gz DARIETOHRRCRTR-UYAOXDASSA-N 1 1 342.389 4.189 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000301071525 1055893949 /nfs/dbraw/zinc/89/39/49/1055893949.db2.gz DRSQMTUGQVRYSC-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(Cl)cc2C#N)cc1F ZINC000301173887 1055902880 /nfs/dbraw/zinc/90/28/80/1055902880.db2.gz FQJJMQQSLRNIEP-UHFFFAOYSA-N 1 1 340.789 4.457 20 30 EIEDMO C[C@@H](CNc1cc(C#N)nc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000301345079 1055924775 /nfs/dbraw/zinc/92/47/75/1055924775.db2.gz KCMOHYOVKRWQSO-AWEZNQCLSA-N 1 1 348.475 4.027 20 30 EIEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301854047 1055992819 /nfs/dbraw/zinc/99/28/19/1055992819.db2.gz CGKIZBVPYWTEES-DNVCBOLYSA-N 1 1 343.833 4.456 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087998 1056017016 /nfs/dbraw/zinc/01/70/16/1056017016.db2.gz ZUCAUICHPULNNJ-HZPDHXFCSA-N 1 1 331.891 4.302 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134388 1056022972 /nfs/dbraw/zinc/02/29/72/1056022972.db2.gz ZJTYQQKSSAOKAZ-IIBYNOLFSA-N 1 1 347.462 4.226 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000921742903 1056371488 /nfs/dbraw/zinc/37/14/88/1056371488.db2.gz OQFVOJOOXNDMRL-INIZCTEOSA-N 1 1 329.831 4.014 20 30 EIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC001168677527 1056672970 /nfs/dbraw/zinc/67/29/70/1056672970.db2.gz OTAFPBHHVOJECI-IRLDBZIGSA-N 1 1 334.463 4.208 20 30 EIEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087384 1056744973 /nfs/dbraw/zinc/74/49/73/1056744973.db2.gz PYIZVIPUAPHUGT-AWEZNQCLSA-N 1 1 344.503 4.151 20 30 EIEDMO Clc1cc(Br)ccc1C[NH2+]CC#Cc1ccccc1 ZINC000742371779 1058597029 /nfs/dbraw/zinc/59/70/29/1058597029.db2.gz CTPYEIHUTCNCSO-UHFFFAOYSA-N 1 1 334.644 4.244 20 30 EIEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742484953 1058653871 /nfs/dbraw/zinc/65/38/71/1058653871.db2.gz RJVOWJPFFSPIJA-HXUWFJFHSA-N 1 1 330.516 4.375 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000743842652 1059133952 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C=CCn1c(C)nn(C[N@@H+](Cc2ccccc2)CC(C)C)c1=S ZINC000746062168 1059989500 /nfs/dbraw/zinc/98/95/00/1059989500.db2.gz VFPLCNGREYAMMF-UHFFFAOYSA-N 1 1 330.501 4.024 20 30 EIEDMO CCCC[N@@H+](CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169299485 1060762940 /nfs/dbraw/zinc/76/29/40/1060762940.db2.gz GBQDIHFBHWXFRY-UHFFFAOYSA-N 1 1 328.456 4.170 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCc3ccccc3[C@H]2O)cc1 ZINC001169629344 1060877167 /nfs/dbraw/zinc/87/71/67/1060877167.db2.gz TXQLTQOEZCTENV-DNVJHFABSA-N 1 1 348.490 4.470 20 30 EIEDMO CCOC(=O)N1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169695005 1060904814 /nfs/dbraw/zinc/90/48/14/1060904814.db2.gz SVHORUFJXGRCCY-IBGZPJMESA-N 1 1 349.519 4.326 20 30 EIEDMO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)c1 ZINC001169810702 1060979309 /nfs/dbraw/zinc/97/93/09/1060979309.db2.gz LPJDSVBMJZONIU-UHFFFAOYSA-N 1 1 339.870 4.151 20 30 EIEDMO C=CC[C@H]1[N@@H+](CCC(=O)Nc2ccc(OCC)cc2)CCCC1(C)C ZINC001169845054 1060996404 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346.405 4.112 20 30 EIEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000245501013 1032276070 /nfs/dbraw/zinc/27/60/70/1032276070.db2.gz BOKMYOZJDUHMFH-IERDGZPVSA-N 1 1 336.435 4.323 20 30 EIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000532967927 1032417415 /nfs/dbraw/zinc/41/74/15/1032417415.db2.gz JVSAFGUMWSMMRK-UHFFFAOYSA-N 1 1 343.515 4.212 20 30 EIEDMO C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000245717242 1032419194 /nfs/dbraw/zinc/41/91/94/1032419194.db2.gz GULLAYYWFJDCMY-STZQEDGTSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000245717242 1032419202 /nfs/dbraw/zinc/41/92/02/1032419202.db2.gz GULLAYYWFJDCMY-STZQEDGTSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000245723083 1032425598 /nfs/dbraw/zinc/42/55/98/1032425598.db2.gz IHOFXZXLVZQORF-CLCXKQKWSA-N 1 1 342.464 4.001 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000245723083 1032425603 /nfs/dbraw/zinc/42/56/03/1032425603.db2.gz IHOFXZXLVZQORF-CLCXKQKWSA-N 1 1 342.464 4.001 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCc3sccc3C2)cc1 ZINC000532991287 1032441621 /nfs/dbraw/zinc/44/16/21/1032441621.db2.gz XPWGGQSDLJFNIH-UHFFFAOYSA-N 1 1 337.366 4.057 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCc3sccc3C2)cc1 ZINC000532991287 1032441624 /nfs/dbraw/zinc/44/16/24/1032441624.db2.gz XPWGGQSDLJFNIH-UHFFFAOYSA-N 1 1 337.366 4.057 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)cc1 ZINC000263633182 1032508156 /nfs/dbraw/zinc/50/81/56/1032508156.db2.gz LOUHYXIBQJNPJU-HJWRWDBZSA-N 1 1 342.402 4.033 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000533384101 1032703635 /nfs/dbraw/zinc/70/36/35/1032703635.db2.gz WTKYVOAWKPBKLJ-FQEVSTJZSA-N 1 1 339.483 4.120 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000533384101 1032703649 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EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CCO2)c1 ZINC000430231711 1019538167 /nfs/dbraw/zinc/53/81/67/1019538167.db2.gz ZDEHFGWMMJJCTL-QFIPXVFZSA-N 1 1 332.447 4.011 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000339660490 1019786395 /nfs/dbraw/zinc/78/63/95/1019786395.db2.gz HDWRZIGAIADRNE-GOSISDBHSA-N 1 1 348.425 4.020 20 30 EIEDMO CC(C)[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000339711039 1019837769 /nfs/dbraw/zinc/83/77/69/1019837769.db2.gz SCHHZPFHWQLTFT-UHFFFAOYSA-N 1 1 330.435 4.155 20 30 EIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000179939147 1019949184 /nfs/dbraw/zinc/94/91/84/1019949184.db2.gz GWWUHKHXGQEUOJ-UHFFFAOYSA-N 1 1 342.446 4.147 20 30 EIEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC2 ZINC001209081300 1019990081 /nfs/dbraw/zinc/99/00/81/1019990081.db2.gz OAKAHZUEXIREGE-UHFFFAOYSA-N 1 1 331.246 4.466 20 30 EIEDMO N#CCSCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126098853 1020081589 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C#CC[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCc2ccccc21 ZINC001167179283 1020488156 /nfs/dbraw/zinc/48/81/56/1020488156.db2.gz YCUITRPELLUEQA-NRFANRHFSA-N 1 1 328.415 4.063 20 30 EIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)c(F)c2)CC(C)C)c1 ZINC001167199120 1020534824 /nfs/dbraw/zinc/53/48/24/1020534824.db2.gz FDHKMDLEXUVCCT-UHFFFAOYSA-N 1 1 326.415 4.364 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000275375852 1020572811 /nfs/dbraw/zinc/57/28/11/1020572811.db2.gz WPVSTOYLSVQRDT-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC001167252114 1020678135 /nfs/dbraw/zinc/67/81/35/1020678135.db2.gz UAVFZMWJWXAERU-KRWDZBQOSA-N 1 1 327.428 4.401 20 30 EIEDMO C#CC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCCCC1 ZINC001167273587 1020749534 /nfs/dbraw/zinc/74/95/34/1020749534.db2.gz MKHOHQDYFMPGMM-LJQANCHMSA-N 1 1 346.902 4.175 20 30 EIEDMO C=C(C)C[N@H+](CCOc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512507341 1032942444 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CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957151 1025699587 /nfs/dbraw/zinc/69/95/87/1025699587.db2.gz OXGMZCUZKRQOQO-KGLIPLIRSA-N 1 1 345.512 4.090 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157060313 1025806496 /nfs/dbraw/zinc/80/64/96/1025806496.db2.gz SMRHLBBZMRNRPI-HNNXBMFYSA-N 1 1 338.904 4.078 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000512050907 1025846963 /nfs/dbraw/zinc/84/69/63/1025846963.db2.gz FPHVRPRIECVQBP-UHFFFAOYSA-N 1 1 345.446 4.500 20 30 EIEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)C1 ZINC000344082855 1025977891 /nfs/dbraw/zinc/97/78/91/1025977891.db2.gz SDLCFNCWKOWMGV-INIZCTEOSA-N 1 1 337.467 4.106 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1)C(C)C ZINC000550084409 1026028709 /nfs/dbraw/zinc/02/87/09/1026028709.db2.gz QBDQAHLZXHWETG-UHFFFAOYSA-N 1 1 335.451 4.235 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4ccccc4)s3)CC2)c1 ZINC000551227318 1026097845 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C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)c(OC)c1 ZINC000582328459 1026454259 /nfs/dbraw/zinc/45/42/59/1026454259.db2.gz YUCAREQWKNOTTM-UHFFFAOYSA-N 1 1 327.472 4.359 20 30 EIEDMO N#Cc1csc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)n1 ZINC000582332568 1026461438 /nfs/dbraw/zinc/46/14/38/1026461438.db2.gz SBJOJBLYZUPFPI-UHFFFAOYSA-N 1 1 329.444 4.489 20 30 EIEDMO N#Cc1csc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)n1 ZINC000582332568 1026461445 /nfs/dbraw/zinc/46/14/45/1026461445.db2.gz SBJOJBLYZUPFPI-UHFFFAOYSA-N 1 1 329.444 4.489 20 30 EIEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511106458 1026515966 /nfs/dbraw/zinc/51/59/66/1026515966.db2.gz IHRCCJMHEMDWFF-UHFFFAOYSA-N 1 1 333.353 4.111 20 30 EIEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(-c2ccnn2C)c1 ZINC000338918514 1026642454 /nfs/dbraw/zinc/64/24/54/1026642454.db2.gz AGDSXRQXKPWYHX-UHFFFAOYSA-N 1 1 348.425 4.038 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313366 1026683196 /nfs/dbraw/zinc/68/31/96/1026683196.db2.gz IPYIMLBUPBYWHI-VYDXJSESSA-N 1 1 329.463 4.001 20 30 EIEDMO CCCOc1c(C[N@H+](C)Cc2ccc(C#N)cc2)cccc1OCC ZINC000507221726 1026708445 /nfs/dbraw/zinc/70/84/45/1026708445.db2.gz NJWBKBFXPNDDOM-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO CCCOc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)cccc1OCC ZINC000507221726 1026708456 /nfs/dbraw/zinc/70/84/56/1026708456.db2.gz NJWBKBFXPNDDOM-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000015372017 1026713122 /nfs/dbraw/zinc/71/31/22/1026713122.db2.gz VBVAAFFJGRSWOS-LJQANCHMSA-N 1 1 349.478 4.243 20 30 EIEDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000342663352 1026822786 /nfs/dbraw/zinc/82/27/86/1026822786.db2.gz QDXLVLPEHZTDQP-KRWDZBQOSA-N 1 1 337.467 4.106 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749586 1026866030 /nfs/dbraw/zinc/86/60/30/1026866030.db2.gz IXFZBMZIHNWPAT-DOMZBBRYSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277749586 1026866033 /nfs/dbraw/zinc/86/60/33/1026866033.db2.gz IXFZBMZIHNWPAT-DOMZBBRYSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277749586 1026866038 /nfs/dbraw/zinc/86/60/38/1026866038.db2.gz IXFZBMZIHNWPAT-DOMZBBRYSA-N 1 1 348.372 4.241 20 30 EIEDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(C)(C)C#N ZINC000375724725 1026893205 /nfs/dbraw/zinc/89/32/05/1026893205.db2.gz MSMBMPUUVJCACN-OSYLJGHBSA-N 1 1 349.519 4.227 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000178628695 1026906407 /nfs/dbraw/zinc/90/64/07/1026906407.db2.gz YZGHMVGQXUGDRI-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1cccs1 ZINC000247987235 1026930986 /nfs/dbraw/zinc/93/09/86/1026930986.db2.gz IXRTXSKCXOVYFX-UHFFFAOYSA-N 1 1 348.899 4.096 20 30 EIEDMO CSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440608246 1026970727 /nfs/dbraw/zinc/97/07/27/1026970727.db2.gz IEABXXVEQWCEJN-CYBMUJFWSA-N 1 1 331.403 4.010 20 30 EIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245766 1026999471 /nfs/dbraw/zinc/99/94/71/1026999471.db2.gz ZYJTYMIJLFAQIX-FUHIMQAGSA-N 1 1 349.478 4.391 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000441005339 1027182100 /nfs/dbraw/zinc/18/21/00/1027182100.db2.gz SXWCZRFMEDEOON-QGZVFWFLSA-N 1 1 328.456 4.206 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000441005339 1027182119 /nfs/dbraw/zinc/18/21/19/1027182119.db2.gz SXWCZRFMEDEOON-QGZVFWFLSA-N 1 1 328.456 4.206 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(F)c4C#N)C3)nc2c1 ZINC000428296949 1027183724 /nfs/dbraw/zinc/18/37/24/1027183724.db2.gz ZAGWRFBQWRLGIU-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCCN(Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296949 1027183747 /nfs/dbraw/zinc/18/37/47/1027183747.db2.gz ZAGWRFBQWRLGIU-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296949 1027183768 /nfs/dbraw/zinc/18/37/68/1027183768.db2.gz ZAGWRFBQWRLGIU-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4C#N)C3)[nH]c2c1 ZINC000428296949 1027183801 /nfs/dbraw/zinc/18/38/01/1027183801.db2.gz ZAGWRFBQWRLGIU-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO C[NH+](C)[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccccc1Cl ZINC000520134414 1027234225 /nfs/dbraw/zinc/23/42/25/1027234225.db2.gz JDIQMUBNWSJRTF-INIZCTEOSA-N 1 1 335.785 4.205 20 30 EIEDMO C=CCC[N@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1 ZINC001207327290 1027239398 /nfs/dbraw/zinc/23/93/98/1027239398.db2.gz CBIOONHRCKFPQM-UHFFFAOYSA-N 1 1 336.266 4.404 20 30 EIEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000078336138 1027319878 /nfs/dbraw/zinc/31/98/78/1027319878.db2.gz MDIGBOKSRFEWMQ-UHFFFAOYSA-N 1 1 333.439 4.121 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000078338081 1027322678 /nfs/dbraw/zinc/32/26/78/1027322678.db2.gz NIOGMOUBBWHYAO-XJKSGUPXSA-N 1 1 346.887 4.163 20 30 EIEDMO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529444 1027351687 /nfs/dbraw/zinc/35/16/87/1027351687.db2.gz RZGKNBNJUSPTTI-UHFFFAOYSA-N 1 1 337.810 4.499 20 30 EIEDMO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529444 1027351704 /nfs/dbraw/zinc/35/17/04/1027351704.db2.gz RZGKNBNJUSPTTI-UHFFFAOYSA-N 1 1 337.810 4.499 20 30 EIEDMO C=CC[N@H+](CCC(C)(C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441318382 1027444544 /nfs/dbraw/zinc/44/45/44/1027444544.db2.gz OLMJIYDVALVYDM-INIZCTEOSA-N 1 1 327.476 4.038 20 30 EIEDMO C=C1CCC(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000897300027 1027457474 /nfs/dbraw/zinc/45/74/74/1027457474.db2.gz VCMWSBKROBVPJO-UHFFFAOYSA-N 1 1 332.532 4.093 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000428300825 1027527923 /nfs/dbraw/zinc/52/79/23/1027527923.db2.gz NDNZVCFBOPJADR-NSHDSACASA-N 1 1 338.304 4.447 20 30 EIEDMO Fc1ccc(F)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000237751504 1027537569 /nfs/dbraw/zinc/53/75/69/1027537569.db2.gz FYFNNYFNHCQVPT-UHFFFAOYSA-N 1 1 325.280 4.125 20 30 EIEDMO Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329213524 1027653964 /nfs/dbraw/zinc/65/39/64/1027653964.db2.gz JPKQHHKVXRJSAX-OAHLLOKOSA-N 1 1 333.476 4.138 20 30 EIEDMO N#CC1(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)CC1 ZINC000329223578 1027656729 /nfs/dbraw/zinc/65/67/29/1027656729.db2.gz YHBGHYVILUXPGR-INIZCTEOSA-N 1 1 342.487 4.066 20 30 EIEDMO N#CC1(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)CC1 ZINC000329223578 1027656751 /nfs/dbraw/zinc/65/67/51/1027656751.db2.gz YHBGHYVILUXPGR-INIZCTEOSA-N 1 1 342.487 4.066 20 30 EIEDMO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000329300642 1027709724 /nfs/dbraw/zinc/70/97/24/1027709724.db2.gz VSDIAFXNPOINQC-IKGGRYGDSA-N 1 1 337.508 4.131 20 30 EIEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(Br)ccc1C#N ZINC001141907582 1027808073 /nfs/dbraw/zinc/80/80/73/1027808073.db2.gz GVRNUZHPZHHCNJ-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(Br)ccc1C#N ZINC001141907656 1027808870 /nfs/dbraw/zinc/80/88/70/1027808870.db2.gz IQSQPHSQIUQBCJ-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO CC1(C)CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)(C(N)=O)CC1 ZINC000328877116 1027824291 /nfs/dbraw/zinc/82/42/91/1027824291.db2.gz IJDQABISBYKBTL-HNNXBMFYSA-N 1 1 349.519 4.472 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)ccc1OC ZINC000116381702 1027844497 /nfs/dbraw/zinc/84/44/97/1027844497.db2.gz YLAVCRIYZJKASN-UHFFFAOYSA-N 1 1 346.496 4.440 20 30 EIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000444655528 1027928049 /nfs/dbraw/zinc/92/80/49/1027928049.db2.gz WCCDEFBSIOSZKY-QGZVFWFLSA-N 1 1 329.488 4.446 20 30 EIEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000444657651 1027928132 /nfs/dbraw/zinc/92/81/32/1027928132.db2.gz LQHPPEFONOUWSY-UHFFFAOYSA-N 1 1 333.451 4.195 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444659359 1027930228 /nfs/dbraw/zinc/93/02/28/1027930228.db2.gz HSBKDEVYOJPNJH-NSHDSACASA-N 1 1 344.340 4.293 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000444640546 1027934467 /nfs/dbraw/zinc/93/44/67/1027934467.db2.gz NTQURLZQYGXQKQ-HXUWFJFHSA-N 1 1 328.500 4.430 20 30 EIEDMO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccon1 ZINC000444670493 1027951436 /nfs/dbraw/zinc/95/14/36/1027951436.db2.gz ITIYSBFNAVUUJV-QGZVFWFLSA-N 1 1 331.419 4.225 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)n1 ZINC000572926965 1027954522 /nfs/dbraw/zinc/95/45/22/1027954522.db2.gz WSLHSSBXWXJOBB-KRWDZBQOSA-N 1 1 325.481 4.250 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)n1 ZINC000572926965 1027954534 /nfs/dbraw/zinc/95/45/34/1027954534.db2.gz WSLHSSBXWXJOBB-KRWDZBQOSA-N 1 1 325.481 4.250 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CCCC1(C)C ZINC000444775219 1028060000 /nfs/dbraw/zinc/06/00/00/1028060000.db2.gz MDUDJZHNCDYMAN-IBGZPJMESA-N 1 1 349.540 4.435 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CCCC1(C)C ZINC000444775219 1028060023 /nfs/dbraw/zinc/06/00/23/1028060023.db2.gz MDUDJZHNCDYMAN-IBGZPJMESA-N 1 1 349.540 4.435 20 30 EIEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000150786631 1028106073 /nfs/dbraw/zinc/10/60/73/1028106073.db2.gz XSXBZYXPXQHHQK-NQIIRXRSSA-N 1 1 340.511 4.266 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000330291651 1028270491 /nfs/dbraw/zinc/27/04/91/1028270491.db2.gz GQZCXYIMRYQDAD-KRWDZBQOSA-N 1 1 340.471 4.342 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1 ZINC000346339298 1028391124 /nfs/dbraw/zinc/39/11/24/1028391124.db2.gz RZTNJFVAOJBHBN-QGZVFWFLSA-N 1 1 336.483 4.332 20 30 EIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000330316977 1028410279 /nfs/dbraw/zinc/41/02/79/1028410279.db2.gz ZTNNSUPTDCGHFJ-LBPRGKRZSA-N 1 1 349.500 4.151 20 30 EIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000281488391 1028646380 /nfs/dbraw/zinc/64/63/80/1028646380.db2.gz VWADJHOCSSMCBU-CQSZACIVSA-N 1 1 346.272 4.072 20 30 EIEDMO Cc1cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)ccc1C#N ZINC000443993359 1028698336 /nfs/dbraw/zinc/69/83/36/1028698336.db2.gz AOQQHAHTFQYSFX-UHFFFAOYSA-N 1 1 347.487 4.398 20 30 EIEDMO N#CCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000346844914 1028786790 /nfs/dbraw/zinc/78/67/90/1028786790.db2.gz YVWYRGYTLOZEFR-IBGZPJMESA-N 1 1 342.826 4.094 20 30 EIEDMO CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000524252703 1028817230 /nfs/dbraw/zinc/81/72/30/1028817230.db2.gz WRCGOVRSQHMBLJ-SFHVURJKSA-N 1 1 349.478 4.038 20 30 EIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1cccc(OC)c1 ZINC000281934299 1028985535 /nfs/dbraw/zinc/98/55/35/1028985535.db2.gz IGYQUTVIWVUAKB-QGZVFWFLSA-N 1 1 330.472 4.179 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000522837756 1028988178 /nfs/dbraw/zinc/98/81/78/1028988178.db2.gz HKRYUJDQIIGJMO-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000522837756 1028988196 /nfs/dbraw/zinc/98/81/96/1028988196.db2.gz HKRYUJDQIIGJMO-KUHUBIRLSA-N 1 1 326.440 4.376 20 30 EIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444165110 1029029475 /nfs/dbraw/zinc/02/94/75/1029029475.db2.gz FYNLGIUEEVRAPP-UHFFFAOYSA-N 1 1 349.478 4.105 20 30 EIEDMO Cc1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1C1CC1 ZINC000444237111 1029106301 /nfs/dbraw/zinc/10/63/01/1029106301.db2.gz KHHNTWNJAVICSL-UHFFFAOYSA-N 1 1 349.478 4.405 20 30 EIEDMO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1C1CC1 ZINC000444237111 1029106312 /nfs/dbraw/zinc/10/63/12/1029106312.db2.gz KHHNTWNJAVICSL-UHFFFAOYSA-N 1 1 349.478 4.405 20 30 EIEDMO C=C(C)C[N@H+](C/C=C\c1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000583839668 1029255913 /nfs/dbraw/zinc/25/59/13/1029255913.db2.gz RLIOSNZQZBMQFY-ARJAWSKDSA-N 1 1 333.378 4.142 20 30 EIEDMO C=C(C)C[N@@H+](C/C=C\c1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000583839668 1029255926 /nfs/dbraw/zinc/25/59/26/1029255926.db2.gz RLIOSNZQZBMQFY-ARJAWSKDSA-N 1 1 333.378 4.142 20 30 EIEDMO C=CCC(CC=C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247625542 1029374361 /nfs/dbraw/zinc/37/43/61/1029374361.db2.gz UGQWTKNHMQQFDE-WGMWDUQUSA-N 1 1 340.511 4.028 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127885 1029466645 /nfs/dbraw/zinc/46/66/45/1029466645.db2.gz QXBXILBZSWDVNV-RBUKOAKNSA-N 1 1 330.447 4.257 20 30 EIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000584012652 1029516379 /nfs/dbraw/zinc/51/63/79/1029516379.db2.gz YFXLWLFAPVGOHE-GXTWGEPZSA-N 1 1 342.443 4.352 20 30 EIEDMO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475352737 1029565276 /nfs/dbraw/zinc/56/52/76/1029565276.db2.gz CWNXQYPIXUIBKK-SFHVURJKSA-N 1 1 345.899 4.092 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1Cl ZINC000052803289 1029613505 /nfs/dbraw/zinc/61/35/05/1029613505.db2.gz PEFSKSJGBDZWPA-INIZCTEOSA-N 1 1 345.855 4.049 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1Cl ZINC000052803289 1029613512 /nfs/dbraw/zinc/61/35/12/1029613512.db2.gz PEFSKSJGBDZWPA-INIZCTEOSA-N 1 1 345.855 4.049 20 30 EIEDMO CC(C)c1cccc2c1CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000475410176 1029620987 /nfs/dbraw/zinc/62/09/87/1029620987.db2.gz LCJNFCLOQIBDGL-UHFFFAOYSA-N 1 1 347.462 4.069 20 30 EIEDMO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1C ZINC000611807076 1029645745 /nfs/dbraw/zinc/64/57/45/1029645745.db2.gz ATSINCRVCSMWCL-MRXNPFEDSA-N 1 1 330.435 4.118 20 30 EIEDMO C[C@@H]1CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@@H](C)N1Cc1ccccc1 ZINC001168065491 1029649399 /nfs/dbraw/zinc/64/93/99/1029649399.db2.gz WVKCOWHLGPHQAB-FLTCSQOGSA-N 1 1 337.511 4.195 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677669 1029676587 /nfs/dbraw/zinc/67/65/87/1029676587.db2.gz IPQQRMYOQAQSBG-NSHDSACASA-N 1 1 347.178 4.095 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677669 1029676590 /nfs/dbraw/zinc/67/65/90/1029676590.db2.gz IPQQRMYOQAQSBG-NSHDSACASA-N 1 1 347.178 4.095 20 30 EIEDMO CC#CC[N@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000525634494 1029717713 /nfs/dbraw/zinc/71/77/13/1029717713.db2.gz XYOZQXQHYGRXDM-UHFFFAOYSA-N 1 1 329.465 4.181 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248626245 1029730464 /nfs/dbraw/zinc/73/04/64/1029730464.db2.gz OCDPIWFCCXTALR-SESVDKBCSA-N 1 1 340.511 4.102 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000121305813 1029756735 /nfs/dbraw/zinc/75/67/35/1029756735.db2.gz DUNXFAIRHPPLDY-QGZVFWFLSA-N 1 1 347.418 4.088 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000086187683 1029839158 /nfs/dbraw/zinc/83/91/58/1029839158.db2.gz LFNCBSHIUUYFME-LBPRGKRZSA-N 1 1 337.814 4.274 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441278211 1030125485 /nfs/dbraw/zinc/12/54/85/1030125485.db2.gz RBXVMONFMZWOQN-YADHBBJMSA-N 1 1 346.474 4.474 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000185230233 1030133761 /nfs/dbraw/zinc/13/37/61/1030133761.db2.gz QBKVZPIBDUOEML-QFBILLFUSA-N 1 1 338.451 4.238 20 30 EIEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000480501162 1030147478 /nfs/dbraw/zinc/14/74/78/1030147478.db2.gz NAUPBAFQZJJYGW-QFIPXVFZSA-N 1 1 347.462 4.083 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187788829 1030307540 /nfs/dbraw/zinc/30/75/40/1030307540.db2.gz YTJYDXMHABUPRO-CQSZACIVSA-N 1 1 345.315 4.124 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCOc2ccccc21 ZINC000685443130 1030317595 /nfs/dbraw/zinc/31/75/95/1030317595.db2.gz IHCIRQPPAYBXFQ-LJQANCHMSA-N 1 1 339.483 4.408 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000191445694 1030625419 /nfs/dbraw/zinc/62/54/19/1030625419.db2.gz LIWNCSXCOIDIQB-SJLPKXTDSA-N 1 1 343.515 4.485 20 30 EIEDMO CCC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000448335082 1030747718 /nfs/dbraw/zinc/74/77/18/1030747718.db2.gz OACZHCBBWLTHKW-UHFFFAOYSA-N 1 1 330.435 4.156 20 30 EIEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451981105 1030808886 /nfs/dbraw/zinc/80/88/86/1030808886.db2.gz DPMGEUWZOSVLSZ-LJQANCHMSA-N 1 1 330.447 4.372 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452004157 1030818488 /nfs/dbraw/zinc/81/84/88/1030818488.db2.gz HHVXECMDOKMFGX-HUUCEWRRSA-N 1 1 345.512 4.282 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000026250425 1031037003 /nfs/dbraw/zinc/03/70/03/1031037003.db2.gz SIHNDTRZQZAUHJ-UHFFFAOYSA-N 1 1 343.430 4.172 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000170984237 1031156786 /nfs/dbraw/zinc/15/67/86/1031156786.db2.gz TWBRKKAOPVSYDO-MRXNPFEDSA-N 1 1 347.528 4.386 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000532503523 1031224810 /nfs/dbraw/zinc/22/48/10/1031224810.db2.gz WTGWLBBBDBEUCJ-NRFANRHFSA-N 1 1 347.462 4.286 20 30 EIEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000136479597 1031389915 /nfs/dbraw/zinc/38/99/15/1031389915.db2.gz ZNBHMXGRXRMVSG-UHFFFAOYSA-N 1 1 349.478 4.334 20 30 EIEDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000365216746 1031553042 /nfs/dbraw/zinc/55/30/42/1031553042.db2.gz FCVXQHVQPLHEKZ-QGZVFWFLSA-N 1 1 334.448 4.318 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(SC)cc1 ZINC000065959619 1031621522 /nfs/dbraw/zinc/62/15/22/1031621522.db2.gz KFAQBSVQXARYRU-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(SC)cc1 ZINC000065959619 1031621529 /nfs/dbraw/zinc/62/15/29/1031621529.db2.gz KFAQBSVQXARYRU-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453292661 1031809940 /nfs/dbraw/zinc/80/99/40/1031809940.db2.gz OGPIFXUJWUPIFG-GLOJMNGXSA-N 1 1 337.511 4.102 20 30 EIEDMO Cc1cccc([C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)c1 ZINC000528764003 1031827276 /nfs/dbraw/zinc/82/72/76/1031827276.db2.gz BQLSPEJSGWQMOY-HXUWFJFHSA-N 1 1 346.434 4.404 20 30 EIEDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc(C)ccc1C ZINC000528803484 1031860608 /nfs/dbraw/zinc/86/06/08/1031860608.db2.gz YSRFFLUQECZHCP-LJQANCHMSA-N 1 1 346.434 4.466 20 30 EIEDMO N#Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897030 /nfs/dbraw/zinc/89/70/30/1031897030.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 1 1 345.490 4.045 20 30 EIEDMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000429364116 1031941114 /nfs/dbraw/zinc/94/11/14/1031941114.db2.gz LKWMWQKJVCCBDM-WBMJQRKESA-N 1 1 346.272 4.106 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000135287671 1032028521 /nfs/dbraw/zinc/02/85/21/1032028521.db2.gz XDVBIQSFUFMGIA-MJGOQNOKSA-N 1 1 338.451 4.169 20 30 EIEDMO C=CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000532695612 1032041461 /nfs/dbraw/zinc/04/14/61/1032041461.db2.gz VSZKFSQQRYJSAX-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO C=CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000532695612 1032041480 /nfs/dbraw/zinc/04/14/80/1032041480.db2.gz VSZKFSQQRYJSAX-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO COc1ccc(Br)c(C[N@@H+](C)CC(C)(C)CCC#N)c1 ZINC000432903333 1033378398 /nfs/dbraw/zinc/37/83/98/1033378398.db2.gz VFEYOMYMXCQGLM-UHFFFAOYSA-N 1 1 339.277 4.219 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160142 1033528882 /nfs/dbraw/zinc/52/88/82/1033528882.db2.gz WTPDMZLTSSVVSI-UHFFFAOYSA-N 1 1 347.256 4.475 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000614159574 1033530423 /nfs/dbraw/zinc/53/04/23/1033530423.db2.gz GHIXZMJGOXKUSJ-FQEVSTJZSA-N 1 1 338.426 4.200 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000614159574 1033530431 /nfs/dbraw/zinc/53/04/31/1033530431.db2.gz GHIXZMJGOXKUSJ-FQEVSTJZSA-N 1 1 338.426 4.200 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)cc1F ZINC000512625333 1033536840 /nfs/dbraw/zinc/53/68/40/1033536840.db2.gz NKSSDRMGWWAATN-CQSZACIVSA-N 1 1 339.414 4.265 20 30 EIEDMO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512631085 1033552984 /nfs/dbraw/zinc/55/29/84/1033552984.db2.gz PROFSWKQYFMSGI-CJMONDIMSA-N 1 1 342.389 4.407 20 30 EIEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176381 1033597561 /nfs/dbraw/zinc/59/75/61/1033597561.db2.gz YQPLWLMGALFWGW-QGZVFWFLSA-N 1 1 342.483 4.043 20 30 EIEDMO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659356 1033646400 /nfs/dbraw/zinc/64/64/00/1033646400.db2.gz FZPGVLRNMMNLNE-INIZCTEOSA-N 1 1 337.442 4.013 20 30 EIEDMO COC(=O)c1sccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433012324 1033651129 /nfs/dbraw/zinc/65/11/29/1033651129.db2.gz JSHNQJDXAIZILV-INIZCTEOSA-N 1 1 328.437 4.059 20 30 EIEDMO CO[C@@H](C)c1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000433030424 1033696653 /nfs/dbraw/zinc/69/66/53/1033696653.db2.gz FMWFVCSPVOBXNM-WMLDXEAASA-N 1 1 329.469 4.375 20 30 EIEDMO CCCOc1c(C[NH2+]Cc2ccc(C#N)cc2F)cccc1OCC ZINC000237005092 1033918576 /nfs/dbraw/zinc/91/85/76/1033918576.db2.gz MGJXCJGEYWZTMO-UHFFFAOYSA-N 1 1 342.414 4.175 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000419295547 1034096923 /nfs/dbraw/zinc/09/69/23/1034096923.db2.gz CSSSBUIUEJICKC-GOSISDBHSA-N 1 1 348.437 4.072 20 30 EIEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412017482 1034165452 /nfs/dbraw/zinc/16/54/52/1034165452.db2.gz ZPLLVKAJKLTGTD-NRFANRHFSA-N 1 1 334.463 4.332 20 30 EIEDMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433317395 1034230675 /nfs/dbraw/zinc/23/06/75/1034230675.db2.gz IVOXJTLDSUDEHQ-UHFFFAOYSA-N 1 1 328.378 4.346 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000614401744 1034546368 /nfs/dbraw/zinc/54/63/68/1034546368.db2.gz BQQBAPVKASNUAQ-OAQYLSRUSA-N 1 1 344.462 4.481 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000614401744 1034546387 /nfs/dbraw/zinc/54/63/87/1034546387.db2.gz BQQBAPVKASNUAQ-OAQYLSRUSA-N 1 1 344.462 4.481 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549218 /nfs/dbraw/zinc/54/92/18/1034549218.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 1 1 347.506 4.352 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000398147902 1034550518 /nfs/dbraw/zinc/55/05/18/1034550518.db2.gz OOXSMCYNSVHMQF-KGVIQGDOSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000398147902 1034550553 /nfs/dbraw/zinc/55/05/53/1034550553.db2.gz OOXSMCYNSVHMQF-KGVIQGDOSA-N 1 1 333.479 4.119 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430018298 1035009345 /nfs/dbraw/zinc/00/93/45/1035009345.db2.gz CRRMGKGEYWHMQV-UHFFFAOYSA-N 1 1 345.446 4.340 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430018298 1035009349 /nfs/dbraw/zinc/00/93/49/1035009349.db2.gz CRRMGKGEYWHMQV-UHFFFAOYSA-N 1 1 345.446 4.340 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1OC ZINC000628326881 1035308707 /nfs/dbraw/zinc/30/87/07/1035308707.db2.gz YYKUNMOCWKNDPS-MRXNPFEDSA-N 1 1 343.801 4.145 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1Cl ZINC000302939447 1035365198 /nfs/dbraw/zinc/36/51/98/1035365198.db2.gz KPWHSKINOMNCKD-UHFFFAOYSA-N 1 1 347.871 4.124 20 30 EIEDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000595022446 1035511519 /nfs/dbraw/zinc/51/15/19/1035511519.db2.gz MEOONAQZRNQDQX-KDOFPFPSSA-N 1 1 339.395 4.299 20 30 EIEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000485013166 1035582310 /nfs/dbraw/zinc/58/23/10/1035582310.db2.gz OLJOETDRRFGNQN-LJQANCHMSA-N 1 1 333.479 4.136 20 30 EIEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000078558885 1035611339 /nfs/dbraw/zinc/61/13/39/1035611339.db2.gz BKFREJNFRVHFMZ-SFHVURJKSA-N 1 1 336.826 4.341 20 30 EIEDMO C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342639 1035635201 /nfs/dbraw/zinc/63/52/01/1035635201.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595433935 1035680395 /nfs/dbraw/zinc/68/03/95/1035680395.db2.gz XBKSQHVCFUREON-RTWAWAEBSA-N 1 1 338.426 4.092 20 30 EIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000595482674 1035680468 /nfs/dbraw/zinc/68/04/68/1035680468.db2.gz UGJYSSGJTXPFQT-SFHVURJKSA-N 1 1 349.478 4.148 20 30 EIEDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602882 1035744298 /nfs/dbraw/zinc/74/42/98/1035744298.db2.gz XMMNSDKBRABXNX-LSDHHAIUSA-N 1 1 333.501 4.140 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609072 1035748615 /nfs/dbraw/zinc/74/86/15/1035748615.db2.gz FSPSNOPLQGINOJ-BBWFWOEESA-N 1 1 327.472 4.153 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609072 1035748638 /nfs/dbraw/zinc/74/86/38/1035748638.db2.gz FSPSNOPLQGINOJ-BBWFWOEESA-N 1 1 327.472 4.153 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672845 1035762286 /nfs/dbraw/zinc/76/22/86/1035762286.db2.gz CABUUNNRUPFIPH-HXUWFJFHSA-N 1 1 349.434 4.097 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786944 1035791828 /nfs/dbraw/zinc/79/18/28/1035791828.db2.gz CZFSVEWGFVXQTJ-ICSRJNTNSA-N 1 1 326.484 4.269 20 30 EIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1C ZINC000491069449 1035800271 /nfs/dbraw/zinc/80/02/71/1035800271.db2.gz XASMWFXYVIUDRN-UHFFFAOYSA-N 1 1 344.462 4.289 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1C#N ZINC000593125886 1035800496 /nfs/dbraw/zinc/80/04/96/1035800496.db2.gz PXXIKHLQXRCTCD-FKBYEOEOSA-N 1 1 332.447 4.361 20 30 EIEDMO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Br)c1 ZINC000586778280 1035835652 /nfs/dbraw/zinc/83/56/52/1035835652.db2.gz BRYKDZKQBUPZTI-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000559260318 1035851451 /nfs/dbraw/zinc/85/14/51/1035851451.db2.gz FDDDZTVQZZNSOP-AWEZNQCLSA-N 1 1 340.920 4.181 20 30 EIEDMO N#CC[C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000596330732 1035854604 /nfs/dbraw/zinc/85/46/04/1035854604.db2.gz NZRIUOIGGGTTNX-GFCCVEGCSA-N 1 1 330.229 4.127 20 30 EIEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000485469436 1035916256 /nfs/dbraw/zinc/91/62/56/1035916256.db2.gz VYYNVWSEEGKCLQ-QGZVFWFLSA-N 1 1 346.540 4.063 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)cc2)CC1 ZINC000597014655 1036070241 /nfs/dbraw/zinc/07/02/41/1036070241.db2.gz SUMDAGSHJHTSAQ-OAQYLSRUSA-N 1 1 346.474 4.280 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](Cc3ccco3)C[C@H]3CCCO3)cc2)CC1 ZINC000597000608 1036075100 /nfs/dbraw/zinc/07/51/00/1036075100.db2.gz OCIJYBIFQULMJM-HXUWFJFHSA-N 1 1 336.435 4.016 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000597000427 1036075250 /nfs/dbraw/zinc/07/52/50/1036075250.db2.gz ZRWSDSKPKHNTMZ-NRFANRHFSA-N 1 1 332.447 4.205 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000502311459 1036092300 /nfs/dbraw/zinc/09/23/00/1036092300.db2.gz HHYSSTVLFFNALB-MRXNPFEDSA-N 1 1 342.870 4.205 20 30 EIEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000502311459 1036092317 /nfs/dbraw/zinc/09/23/17/1036092317.db2.gz HHYSSTVLFFNALB-MRXNPFEDSA-N 1 1 342.870 4.205 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1OC ZINC000045004556 1036132499 /nfs/dbraw/zinc/13/24/99/1036132499.db2.gz SWTXIDCFCPNLGO-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1OC ZINC000045004556 1036132523 /nfs/dbraw/zinc/13/25/23/1036132523.db2.gz SWTXIDCFCPNLGO-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO Cc1ccnc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000597193660 1036138027 /nfs/dbraw/zinc/13/80/27/1036138027.db2.gz VVCQCVNHVQIDBX-UHFFFAOYSA-N 1 1 346.478 4.216 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(C#N)c1 ZINC000588204527 1036300467 /nfs/dbraw/zinc/30/04/67/1036300467.db2.gz NMBSBJCLFNESJZ-LBPRGKRZSA-N 1 1 340.224 4.043 20 30 EIEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000588210568 1036310938 /nfs/dbraw/zinc/31/09/38/1036310938.db2.gz UTWSNKRIVSRWJA-ZDUSSCGKSA-N 1 1 333.357 4.035 20 30 EIEDMO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000060755560 1036411631 /nfs/dbraw/zinc/41/16/31/1036411631.db2.gz AQOMSNCAWHPQHE-QHCPKHFHSA-N 1 1 345.490 4.144 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000602670809 1036550317 /nfs/dbraw/zinc/55/03/17/1036550317.db2.gz GMQSSHMZVWJMRB-KEYYUXOJSA-N 1 1 340.389 4.407 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000602733980 1036600047 /nfs/dbraw/zinc/60/00/47/1036600047.db2.gz ZRCPSLMTVQHDPF-RTWAWAEBSA-N 1 1 334.463 4.186 20 30 EIEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586053 1036705334 /nfs/dbraw/zinc/70/53/34/1036705334.db2.gz CTMMPPUDLYWDME-BBRMVZONSA-N 1 1 342.405 4.389 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000598591636 1036707703 /nfs/dbraw/zinc/70/77/03/1036707703.db2.gz XIBOTLPMCWKWCI-IBGZPJMESA-N 1 1 340.442 4.129 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000598617614 1036714820 /nfs/dbraw/zinc/71/48/20/1036714820.db2.gz KRHOKKCTPSNIQH-NRFANRHFSA-N 1 1 334.463 4.012 20 30 EIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000589336981 1036737832 /nfs/dbraw/zinc/73/78/32/1036737832.db2.gz PIBPUFATLGATBO-REWPJTCUSA-N 1 1 345.490 4.047 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC001307423608 1036870671 /nfs/dbraw/zinc/87/06/71/1036870671.db2.gz KPPHUJNRSHVAMX-AWEZNQCLSA-N 1 1 341.282 4.260 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000599313141 1036949666 /nfs/dbraw/zinc/94/96/66/1036949666.db2.gz FWNXEJSYLVJVBO-KRWDZBQOSA-N 1 1 331.419 4.388 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590157704 1036994704 /nfs/dbraw/zinc/99/47/04/1036994704.db2.gz DEWJPPGAFSHOKT-RHSMWYFYSA-N 1 1 327.403 4.037 20 30 EIEDMO C=CCC[N@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000467303540 1037063093 /nfs/dbraw/zinc/06/30/93/1037063093.db2.gz AWSQYZKRQGLBPB-HXUWFJFHSA-N 1 1 338.451 4.191 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000599653303 1037118703 /nfs/dbraw/zinc/11/87/03/1037118703.db2.gz TUSIXQOEKZTQCE-RPCCPQHDSA-N 1 1 333.273 4.319 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(C)(C#N)CC1 ZINC000272532659 1037211110 /nfs/dbraw/zinc/21/11/10/1037211110.db2.gz IRXZZAYKPHNEEU-DLBZAZTESA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000272827057 1037304845 /nfs/dbraw/zinc/30/48/45/1037304845.db2.gz HFKQJYZBMIMBEZ-XLIONFOSSA-N 1 1 335.451 4.054 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000604271958 1037322560 /nfs/dbraw/zinc/32/25/60/1037322560.db2.gz DCKBMNNUBFQODO-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000604271958 1037322581 /nfs/dbraw/zinc/32/25/81/1037322581.db2.gz DCKBMNNUBFQODO-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2F)CC(C)C)c1 ZINC000604494626 1037408285 /nfs/dbraw/zinc/40/82/85/1037408285.db2.gz LGZJUKQOPOBMDV-UHFFFAOYSA-N 1 1 326.415 4.364 20 30 EIEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503199061 1037593989 /nfs/dbraw/zinc/59/39/89/1037593989.db2.gz LBBDWNUYMQPQAT-FQEVSTJZSA-N 1 1 349.434 4.163 20 30 EIEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)CC2CC2)c(OC)c1 ZINC000503208978 1037611538 /nfs/dbraw/zinc/61/15/38/1037611538.db2.gz LSJPSHHKIMDWHG-UHFFFAOYSA-N 1 1 330.472 4.246 20 30 EIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccnc(C#N)c1 ZINC000591855035 1037643526 /nfs/dbraw/zinc/64/35/26/1037643526.db2.gz NHLXZKHKCNYRHL-UHFFFAOYSA-N 1 1 333.357 4.037 20 30 EIEDMO C=C(C)C[N@@H+](CC)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000488586653 1037681890 /nfs/dbraw/zinc/68/18/90/1037681890.db2.gz LGUISDGDMQQACJ-FQEVSTJZSA-N 1 1 342.508 4.242 20 30 EIEDMO Cc1cccc(C2([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCC2)c1 ZINC000592146007 1037753280 /nfs/dbraw/zinc/75/32/80/1037753280.db2.gz IYDKUNXULAACOK-UHFFFAOYSA-N 1 1 344.418 4.086 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CC4(CC=CC4)[C@H]3c3ccccc3)n2c1 ZINC000592529860 1037825734 /nfs/dbraw/zinc/82/57/34/1037825734.db2.gz UKNRUPBMPPWDPS-OAQYLSRUSA-N 1 1 340.430 4.099 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CC4(CC=CC4)[C@H]3c3ccccc3)n2c1 ZINC000592529860 1037825735 /nfs/dbraw/zinc/82/57/35/1037825735.db2.gz UKNRUPBMPPWDPS-OAQYLSRUSA-N 1 1 340.430 4.099 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC000058580352 1037871666 /nfs/dbraw/zinc/87/16/66/1037871666.db2.gz FDTUSPNRNYKKPA-UHFFFAOYSA-N 1 1 341.458 4.424 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000489424489 1038036512 /nfs/dbraw/zinc/03/65/12/1038036512.db2.gz KAXQXZSRNYILLL-LBPRGKRZSA-N 1 1 348.244 4.040 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000489424489 1038036542 /nfs/dbraw/zinc/03/65/42/1038036542.db2.gz KAXQXZSRNYILLL-LBPRGKRZSA-N 1 1 348.244 4.040 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000489483918 1038078902 /nfs/dbraw/zinc/07/89/02/1038078902.db2.gz WMDCDTOHIHISND-HXUWFJFHSA-N 1 1 334.463 4.256 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000489483918 1038078929 /nfs/dbraw/zinc/07/89/29/1038078929.db2.gz WMDCDTOHIHISND-HXUWFJFHSA-N 1 1 334.463 4.256 20 30 EIEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000593655108 1038115562 /nfs/dbraw/zinc/11/55/62/1038115562.db2.gz WOOZPICMPSTVSD-UHFFFAOYSA-N 1 1 348.372 4.269 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000489608145 1038165088 /nfs/dbraw/zinc/16/50/88/1038165088.db2.gz WILJZGJWYNKLPB-UHFFFAOYSA-N 1 1 326.390 4.291 20 30 EIEDMO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679596 1038206571 /nfs/dbraw/zinc/20/65/71/1038206571.db2.gz MTWIIVNJYWCDRH-VXKWHMMOSA-N 1 1 348.490 4.079 20 30 EIEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000489711272 1038214693 /nfs/dbraw/zinc/21/46/93/1038214693.db2.gz GAKSHEGONPXBPX-KRWDZBQOSA-N 1 1 343.515 4.212 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1F ZINC000489905470 1038264371 /nfs/dbraw/zinc/26/43/71/1038264371.db2.gz HFLDNTKJIQVLNG-QYWGDWMGSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1F ZINC000489905470 1038264387 /nfs/dbraw/zinc/26/43/87/1038264387.db2.gz HFLDNTKJIQVLNG-QYWGDWMGSA-N 1 1 337.442 4.011 20 30 EIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)c1C#N ZINC000574505050 1038294040 /nfs/dbraw/zinc/29/40/40/1038294040.db2.gz TXRIODNQMJPNKL-CQSZACIVSA-N 1 1 334.419 4.073 20 30 EIEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480883927 1038858284 /nfs/dbraw/zinc/85/82/84/1038858284.db2.gz MMEPDLWBGBOCQR-CYBMUJFWSA-N 1 1 344.842 4.470 20 30 EIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480883928 1038858554 /nfs/dbraw/zinc/85/85/54/1038858554.db2.gz MMEPDLWBGBOCQR-ZDUSSCGKSA-N 1 1 344.842 4.470 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000505036836 1038909707 /nfs/dbraw/zinc/90/97/07/1038909707.db2.gz ZYOBIAUWLAXFNB-IAGOWNOFSA-N 1 1 329.488 4.047 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000481028205 1038970789 /nfs/dbraw/zinc/97/07/89/1038970789.db2.gz YCDRGEVMCSCBTP-OAHLLOKOSA-N 1 1 326.827 4.113 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000481028205 1038970819 /nfs/dbraw/zinc/97/08/19/1038970819.db2.gz YCDRGEVMCSCBTP-OAHLLOKOSA-N 1 1 326.827 4.113 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000481167515 1039066361 /nfs/dbraw/zinc/06/63/61/1039066361.db2.gz GWRYBUPWFGTZSJ-CQSZACIVSA-N 1 1 345.899 4.152 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000481250348 1039167874 /nfs/dbraw/zinc/16/78/74/1039167874.db2.gz CQIQHJCXUPTESR-HXUWFJFHSA-N 1 1 342.870 4.054 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000090401734 1039224279 /nfs/dbraw/zinc/22/42/79/1039224279.db2.gz NYNRXCBDHZBRLK-HNNXBMFYSA-N 1 1 349.459 4.068 20 30 EIEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000552218960 1039264782 /nfs/dbraw/zinc/26/47/82/1039264782.db2.gz BUHHYTYRROPHRX-STQMWFEESA-N 1 1 341.282 4.233 20 30 EIEDMO Cc1ccc(F)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000537634112 1039299403 /nfs/dbraw/zinc/29/94/03/1039299403.db2.gz AYDBWXXQFVJKPB-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1ccc(F)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000537634112 1039299432 /nfs/dbraw/zinc/29/94/32/1039299432.db2.gz AYDBWXXQFVJKPB-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO COc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1C#N ZINC000481333828 1039325574 /nfs/dbraw/zinc/32/55/74/1039325574.db2.gz AAZVUMDFJVQCDN-HXUWFJFHSA-N 1 1 349.478 4.497 20 30 EIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(C)(C)C)sc2C1 ZINC000555549843 1039365190 /nfs/dbraw/zinc/36/51/90/1039365190.db2.gz IJQASRFAPCETOA-ZDUSSCGKSA-N 1 1 347.528 4.051 20 30 EIEDMO Cn1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C2CCCCC2)n1 ZINC000600213682 1039377499 /nfs/dbraw/zinc/37/74/99/1039377499.db2.gz XWAPHADERPNZRT-UHFFFAOYSA-N 1 1 348.494 4.092 20 30 EIEDMO Cn1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C2CCCCC2)n1 ZINC000600213682 1039377512 /nfs/dbraw/zinc/37/75/12/1039377512.db2.gz XWAPHADERPNZRT-UHFFFAOYSA-N 1 1 348.494 4.092 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000092788759 1039588777 /nfs/dbraw/zinc/58/87/77/1039588777.db2.gz VXSPQSVBBPBOAH-MRXNPFEDSA-N 1 1 344.480 4.096 20 30 EIEDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000092796192 1039594470 /nfs/dbraw/zinc/59/44/70/1039594470.db2.gz OSAGFXNBXJRABF-KRWDZBQOSA-N 1 1 349.478 4.127 20 30 EIEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093845390 1039761194 /nfs/dbraw/zinc/76/11/94/1039761194.db2.gz VEFYSDKIMCJHCO-NRFANRHFSA-N 1 1 337.467 4.435 20 30 EIEDMO C=CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000537646967 1039800897 /nfs/dbraw/zinc/80/08/97/1039800897.db2.gz DZFCJBIWTROUOV-GOSISDBHSA-N 1 1 348.918 4.069 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000478964322 1040045287 /nfs/dbraw/zinc/04/52/87/1040045287.db2.gz PXGGUUUIKXIHFV-IBGZPJMESA-N 1 1 344.380 4.243 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000476979111 1040078934 /nfs/dbraw/zinc/07/89/34/1040078934.db2.gz CTJRGXITBDTMNJ-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C#N)cs1 ZINC000482515867 1040311352 /nfs/dbraw/zinc/31/13/52/1040311352.db2.gz ZBCSRYZMDFGGOD-XIRDDKMYSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000482515867 1040311357 /nfs/dbraw/zinc/31/13/57/1040311357.db2.gz ZBCSRYZMDFGGOD-XIRDDKMYSA-N 1 1 346.496 4.095 20 30 EIEDMO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)ccc1C#N ZINC000442889432 1040376802 /nfs/dbraw/zinc/37/68/02/1040376802.db2.gz KEXOPUYSPPKZLD-SFHVURJKSA-N 1 1 347.418 4.435 20 30 EIEDMO COc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)ccc1C#N ZINC000442889432 1040376814 /nfs/dbraw/zinc/37/68/14/1040376814.db2.gz KEXOPUYSPPKZLD-SFHVURJKSA-N 1 1 347.418 4.435 20 30 EIEDMO C=CCN1CCC([NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000482651605 1040412589 /nfs/dbraw/zinc/41/25/89/1040412589.db2.gz NQVBPJWTYVCWCU-NSHDSACASA-N 1 1 331.262 4.434 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000539467187 1040460719 /nfs/dbraw/zinc/46/07/19/1040460719.db2.gz VOIPUUVBWNGNNU-FHWLQOOXSA-N 1 1 335.536 4.027 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000435763253 1040602812 /nfs/dbraw/zinc/60/28/12/1040602812.db2.gz QIUJWBFPPFEPBD-PMACEKPBSA-N 1 1 343.515 4.210 20 30 EIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC12CCCCC2 ZINC000462464222 1040622296 /nfs/dbraw/zinc/62/22/96/1040622296.db2.gz OAIBUVNGTKWWBG-HNNXBMFYSA-N 1 1 345.512 4.241 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)cc1C#N ZINC000483150748 1040740219 /nfs/dbraw/zinc/74/02/19/1040740219.db2.gz PFVJDFQOLGCEOJ-UHFFFAOYSA-N 1 1 329.394 4.120 20 30 EIEDMO C=CCC1(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)CCC1 ZINC000479864883 1040750870 /nfs/dbraw/zinc/75/08/70/1040750870.db2.gz JRZLNONDIWPRPW-KRWDZBQOSA-N 1 1 342.483 4.092 20 30 EIEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000552003082 1040759652 /nfs/dbraw/zinc/75/96/52/1040759652.db2.gz NPOHVNWKMYBBJW-KRWDZBQOSA-N 1 1 346.540 4.105 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186748 1040763290 /nfs/dbraw/zinc/76/32/90/1040763290.db2.gz RJWJRXXKPOVRSK-CYBMUJFWSA-N 1 1 335.373 4.499 20 30 EIEDMO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000539864272 1040852897 /nfs/dbraw/zinc/85/28/97/1040852897.db2.gz WLHHCQLALACGEE-CYBMUJFWSA-N 1 1 341.436 4.447 20 30 EIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000539864272 1040852902 /nfs/dbraw/zinc/85/29/02/1040852902.db2.gz WLHHCQLALACGEE-CYBMUJFWSA-N 1 1 341.436 4.447 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC000505776159 1040981997 /nfs/dbraw/zinc/98/19/97/1040981997.db2.gz HTPKVCVRTTZBAD-UHFFFAOYSA-N 1 1 341.499 4.424 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280466 1041025012 /nfs/dbraw/zinc/02/50/12/1041025012.db2.gz DTQFNGGYTLGFLM-HNAYVOBHSA-N 1 1 329.463 4.145 20 30 EIEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000462867699 1041048745 /nfs/dbraw/zinc/04/87/45/1041048745.db2.gz LZHRPQYZKMDVEN-UHFFFAOYSA-N 1 1 348.494 4.178 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982943 1041083357 /nfs/dbraw/zinc/08/33/57/1041083357.db2.gz VYGCTSNCKSDAIU-AUUYWEPGSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982943 1041083380 /nfs/dbraw/zinc/08/33/80/1041083380.db2.gz VYGCTSNCKSDAIU-AUUYWEPGSA-N 1 1 326.440 4.376 20 30 EIEDMO Cc1cccc(COc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)c1 ZINC000554487783 1041181895 /nfs/dbraw/zinc/18/18/95/1041181895.db2.gz LABCWTFQJXJSFQ-FQEVSTJZSA-N 1 1 333.435 4.107 20 30 EIEDMO CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425542081 1041218538 /nfs/dbraw/zinc/21/85/38/1041218538.db2.gz YBPXFRPWFDGQCC-KRWDZBQOSA-N 1 1 349.478 4.137 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000538287234 1041222592 /nfs/dbraw/zinc/22/25/92/1041222592.db2.gz WJXYBJJSFUOJTD-DLBZAZTESA-N 1 1 349.544 4.004 20 30 EIEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000480525446 1041358422 /nfs/dbraw/zinc/35/84/22/1041358422.db2.gz IQQXPCPICCLNFP-KSZLIROESA-N 1 1 332.875 4.237 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)ccc1F ZINC000120693236 1041367437 /nfs/dbraw/zinc/36/74/37/1041367437.db2.gz PYICQQWERVBJFM-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000480535814 1041370646 /nfs/dbraw/zinc/37/06/46/1041370646.db2.gz KNEQXBNJRKFQDW-NHCUHLMSSA-N 1 1 332.447 4.340 20 30 EIEDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000480535814 1041370650 /nfs/dbraw/zinc/37/06/50/1041370650.db2.gz KNEQXBNJRKFQDW-NHCUHLMSSA-N 1 1 332.447 4.340 20 30 EIEDMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000463214927 1041428046 /nfs/dbraw/zinc/42/80/46/1041428046.db2.gz NFAHHUVNORPVDS-YZGWKJHDSA-N 1 1 331.887 4.097 20 30 EIEDMO CCCC1CCC([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000484877094 1041475985 /nfs/dbraw/zinc/47/59/85/1041475985.db2.gz RMCOKHGGPSDHFC-UHFFFAOYSA-N 1 1 338.455 4.399 20 30 EIEDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000480684896 1041479393 /nfs/dbraw/zinc/47/93/93/1041479393.db2.gz ZOOLVLARICLXBW-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO Cc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000480684896 1041479401 /nfs/dbraw/zinc/47/94/01/1041479401.db2.gz ZOOLVLARICLXBW-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO C[C@@H]1CSCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732229 1041506170 /nfs/dbraw/zinc/50/61/70/1041506170.db2.gz VVAWPFGPSNAZKX-MRXNPFEDSA-N 1 1 338.476 4.075 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)cc(OC)c1O ZINC000538725320 1041516891 /nfs/dbraw/zinc/51/68/91/1041516891.db2.gz NVIBRWDHHFVALT-IRXDYDNUSA-N 1 1 335.513 4.235 20 30 EIEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)o2)ccc1OC1CCCC1 ZINC000540525671 1041520659 /nfs/dbraw/zinc/52/06/59/1041520659.db2.gz GPAFKVWLNZNQGP-AWEZNQCLSA-N 1 1 340.423 4.332 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538794852 1041538584 /nfs/dbraw/zinc/53/85/84/1041538584.db2.gz WRAVZKRPYYTXFW-IAGOWNOFSA-N 1 1 335.875 4.153 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000505898077 1041551976 /nfs/dbraw/zinc/55/19/76/1041551976.db2.gz KYWQPIQISCGXOP-UHFFFAOYSA-N 1 1 332.451 4.332 20 30 EIEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)OC ZINC000463419672 1041555294 /nfs/dbraw/zinc/55/52/94/1041555294.db2.gz WRLKOARNEZHVBJ-IBGZPJMESA-N 1 1 336.479 4.243 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425664425 1041581088 /nfs/dbraw/zinc/58/10/88/1041581088.db2.gz OWNIEAIDPVGHHW-PKOBYXMFSA-N 1 1 341.499 4.096 20 30 EIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCC(C)(C)C#N)cc1OC ZINC000540663776 1041592497 /nfs/dbraw/zinc/59/24/97/1041592497.db2.gz CLUXLFVVAYAKJG-GOSISDBHSA-N 1 1 344.499 4.431 20 30 EIEDMO COc1cc(C[N@@H+](CCC(C)(C)C#N)C2CC2)ccc1OC(F)F ZINC000540666683 1041594206 /nfs/dbraw/zinc/59/42/06/1041594206.db2.gz OANWDTLGRDWHMK-UHFFFAOYSA-N 1 1 338.398 4.201 20 30 EIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000437149351 1041675614 /nfs/dbraw/zinc/67/56/14/1041675614.db2.gz ZWXDJFQJYSULAY-UHFFFAOYSA-N 1 1 346.377 4.193 20 30 EIEDMO CC1(C#N)CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000506035073 1041764919 /nfs/dbraw/zinc/76/49/19/1041764919.db2.gz CPPQHHYNYKABJC-UHFFFAOYSA-N 1 1 345.531 4.106 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)c(OC(F)F)c1 ZINC000437405533 1041789354 /nfs/dbraw/zinc/78/93/54/1041789354.db2.gz BUGMELBQMZTRLC-UHFFFAOYSA-N 1 1 334.391 4.386 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)c(OC(F)F)c1 ZINC000437405533 1041789363 /nfs/dbraw/zinc/78/93/63/1041789363.db2.gz BUGMELBQMZTRLC-UHFFFAOYSA-N 1 1 334.391 4.386 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437576345 1041844831 /nfs/dbraw/zinc/84/48/31/1041844831.db2.gz CCMOPDNVRPBDJC-LPHOPBHVSA-N 1 1 340.492 4.098 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437576345 1041844834 /nfs/dbraw/zinc/84/48/34/1041844834.db2.gz CCMOPDNVRPBDJC-LPHOPBHVSA-N 1 1 340.492 4.098 20 30 EIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314682 1041889651 /nfs/dbraw/zinc/88/96/51/1041889651.db2.gz JIIOOCXXAWGNCQ-FOIQADDNSA-N 1 1 336.435 4.159 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1 ZINC000541393970 1041926903 /nfs/dbraw/zinc/92/69/03/1041926903.db2.gz RYHLKGKRQQIJFF-UHFFFAOYSA-N 1 1 348.490 4.308 20 30 EIEDMO N#Cc1ccc(C[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1 ZINC000541393970 1041926910 /nfs/dbraw/zinc/92/69/10/1041926910.db2.gz RYHLKGKRQQIJFF-UHFFFAOYSA-N 1 1 348.490 4.308 20 30 EIEDMO COc1ccc(C[N@H+]2CCCCC(C)(C)C2)cc1OCCCC#N ZINC000438345843 1042146231 /nfs/dbraw/zinc/14/62/31/1042146231.db2.gz BGSFOTZKEGWLQE-UHFFFAOYSA-N 1 1 330.472 4.390 20 30 EIEDMO Cc1c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816755 1042177070 /nfs/dbraw/zinc/17/70/70/1042177070.db2.gz WWUVFUQTFVELSU-QUCCMNQESA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816755 1042177073 /nfs/dbraw/zinc/17/70/73/1042177073.db2.gz WWUVFUQTFVELSU-QUCCMNQESA-N 1 1 335.407 4.175 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000518020140 1042315392 /nfs/dbraw/zinc/31/53/92/1042315392.db2.gz RNGSOWBKTDHMSQ-HOTGVXAUSA-N 1 1 340.414 4.437 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000542209809 1042347351 /nfs/dbraw/zinc/34/73/51/1042347351.db2.gz NACMDQFZUIVWEA-UHFFFAOYSA-N 1 1 334.341 4.283 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000491343543 1042412467 /nfs/dbraw/zinc/41/24/67/1042412467.db2.gz OYNDMVOTISTOTP-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000491343543 1042412474 /nfs/dbraw/zinc/41/24/74/1042412474.db2.gz OYNDMVOTISTOTP-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269813 1042500009 /nfs/dbraw/zinc/50/00/09/1042500009.db2.gz FRKTWWWJHGCZFX-AWEZNQCLSA-N 1 1 347.528 4.338 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271967739 1042590321 /nfs/dbraw/zinc/59/03/21/1042590321.db2.gz SXZASIFDOSTCDP-NWDGAFQWSA-N 1 1 346.377 4.265 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](C2CC2)C2CCC(C)CC2)c(C#N)c1C ZINC000426378477 1042620275 /nfs/dbraw/zinc/62/02/75/1042620275.db2.gz GROAGUUVZUFAKD-UHFFFAOYSA-N 1 1 345.512 4.218 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(Cl)c1 ZINC000439446817 1042631802 /nfs/dbraw/zinc/63/18/02/1042631802.db2.gz XVRNWTMNDXCIPD-INIZCTEOSA-N 1 1 326.827 4.113 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439455773 1042637792 /nfs/dbraw/zinc/63/77/92/1042637792.db2.gz WFZIDQOVTGJOOT-GFCCVEGCSA-N 1 1 330.863 4.322 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439455774 1042637925 /nfs/dbraw/zinc/63/79/25/1042637925.db2.gz WFZIDQOVTGJOOT-LBPRGKRZSA-N 1 1 330.863 4.322 20 30 EIEDMO CC[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000439488330 1042651709 /nfs/dbraw/zinc/65/17/09/1042651709.db2.gz ZBPMHEFJKIPFAF-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443979341 1042715238 /nfs/dbraw/zinc/71/52/38/1042715238.db2.gz ANOUYSMEXGYIMO-GOSISDBHSA-N 1 1 347.506 4.388 20 30 EIEDMO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443979341 1042715243 /nfs/dbraw/zinc/71/52/43/1042715243.db2.gz ANOUYSMEXGYIMO-GOSISDBHSA-N 1 1 347.506 4.388 20 30 EIEDMO Cc1cc(CNCc2ccccc2C[NH+]2CCC(C)CC2)ccc1C#N ZINC000443989507 1042723898 /nfs/dbraw/zinc/72/38/98/1042723898.db2.gz LJGTWCFSYNCZJC-UHFFFAOYSA-N 1 1 347.506 4.388 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000519002863 1042786051 /nfs/dbraw/zinc/78/60/51/1042786051.db2.gz KHXFEQVOVYZBEU-APWZRJJASA-N 1 1 341.499 4.061 20 30 EIEDMO C=CC[N@H+](CCCSC)Cc1cc(Br)ccc1F ZINC000441520403 1042871020 /nfs/dbraw/zinc/87/10/20/1042871020.db2.gz BBXVEIIUCMBUNS-UHFFFAOYSA-N 1 1 332.282 4.329 20 30 EIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000441658421 1042966518 /nfs/dbraw/zinc/96/65/18/1042966518.db2.gz PQKJCOJFHDPGDV-INIZCTEOSA-N 1 1 333.863 4.051 20 30 EIEDMO C=CC[N@H+](CCSc1ccccc1F)Cc1cccc(C#N)c1 ZINC000520137196 1042991591 /nfs/dbraw/zinc/99/15/91/1042991591.db2.gz VAXBLWWSRZZXAL-UHFFFAOYSA-N 1 1 326.440 4.478 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000507805800 1043030928 /nfs/dbraw/zinc/03/09/28/1043030928.db2.gz KOFZXIFLKBKFEC-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555056 1043048209 /nfs/dbraw/zinc/04/82/09/1043048209.db2.gz LDCZLCMDGDOVGP-MFKMUULPSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555056 1043048222 /nfs/dbraw/zinc/04/82/22/1043048222.db2.gz LDCZLCMDGDOVGP-MFKMUULPSA-N 1 1 348.315 4.322 20 30 EIEDMO Fc1ccc(CN[NH+]=Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000727060606 1043126676 /nfs/dbraw/zinc/12/66/76/1043126676.db2.gz SGNZFMTWQXDGFX-UHFFFAOYSA-N 1 1 329.394 4.079 20 30 EIEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000727261604 1043178514 /nfs/dbraw/zinc/17/85/14/1043178514.db2.gz GKFOBVCQVCFNDK-UHFFFAOYSA-N 1 1 337.345 4.140 20 30 EIEDMO C#Cc1cccc(NC(=S)Nc2cccc3c2C[N@H+](CCC)C3)c1 ZINC000727290503 1043192065 /nfs/dbraw/zinc/19/20/65/1043192065.db2.gz KZEYPWNGJBMXLX-UHFFFAOYSA-N 1 1 335.476 4.202 20 30 EIEDMO C#Cc1cccc(NC(=S)Nc2cccc3c2C[N@@H+](CCC)C3)c1 ZINC000727290503 1043192070 /nfs/dbraw/zinc/19/20/70/1043192070.db2.gz KZEYPWNGJBMXLX-UHFFFAOYSA-N 1 1 335.476 4.202 20 30 EIEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428034652 1043299230 /nfs/dbraw/zinc/29/92/30/1043299230.db2.gz OFOHEBHPSYWXJZ-QZTJIDSGSA-N 1 1 341.499 4.060 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022891 1043302603 /nfs/dbraw/zinc/30/26/03/1043302603.db2.gz LRVIMZVIRAZMOK-NHCUHLMSSA-N 1 1 349.478 4.180 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022891 1043302612 /nfs/dbraw/zinc/30/26/12/1043302612.db2.gz LRVIMZVIRAZMOK-NHCUHLMSSA-N 1 1 349.478 4.180 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC1(C#N)CCCC1 ZINC000895142354 1043364842 /nfs/dbraw/zinc/36/48/42/1043364842.db2.gz QFTSKWAFUGQCHD-UHFFFAOYSA-N 1 1 335.473 4.269 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1OC ZINC000120993207 1043447230 /nfs/dbraw/zinc/44/72/30/1043447230.db2.gz QWWARVNVAHWSAE-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1OC ZINC000120993207 1043447238 /nfs/dbraw/zinc/44/72/38/1043447238.db2.gz QWWARVNVAHWSAE-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([N@@H+](C)CCCC)cc1 ZINC000730575097 1043561192 /nfs/dbraw/zinc/56/11/92/1043561192.db2.gz IHCYCYFQIXAOEY-QGZVFWFLSA-N 1 1 331.504 4.148 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([N@H+](C)CCCC)cc1 ZINC000730575097 1043561204 /nfs/dbraw/zinc/56/12/04/1043561204.db2.gz IHCYCYFQIXAOEY-QGZVFWFLSA-N 1 1 331.504 4.148 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([N@@H+](C)CCCC)cc1 ZINC000730575096 1043562921 /nfs/dbraw/zinc/56/29/21/1043562921.db2.gz IHCYCYFQIXAOEY-KRWDZBQOSA-N 1 1 331.504 4.148 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([N@H+](C)CCCC)cc1 ZINC000730575096 1043562927 /nfs/dbraw/zinc/56/29/27/1043562927.db2.gz IHCYCYFQIXAOEY-KRWDZBQOSA-N 1 1 331.504 4.148 20 30 EIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574899 1043803476 /nfs/dbraw/zinc/80/34/76/1043803476.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574899 1043803477 /nfs/dbraw/zinc/80/34/77/1043803477.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574899 1043803478 /nfs/dbraw/zinc/80/34/78/1043803478.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001127295290 1043849595 /nfs/dbraw/zinc/84/95/95/1043849595.db2.gz TWRQADGMCJROTI-QWFCFKBJSA-N 1 1 328.500 4.006 20 30 EIEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1c(C)noc1C ZINC000191825325 1043850519 /nfs/dbraw/zinc/85/05/19/1043850519.db2.gz ZLILIVCXALXCPP-HNNXBMFYSA-N 1 1 348.244 4.167 20 30 EIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831444 1043860263 /nfs/dbraw/zinc/86/02/63/1043860263.db2.gz ADTLVQUMCFIPRK-YWZLYKJASA-N 1 1 336.435 4.159 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)ccc1C#N ZINC000442883220 1043880998 /nfs/dbraw/zinc/88/09/98/1043880998.db2.gz GWOWCCQQCATAQI-QGZVFWFLSA-N 1 1 338.476 4.181 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3sccc3[C@@H]2C)c1O ZINC000732526595 1043947798 /nfs/dbraw/zinc/94/77/98/1043947798.db2.gz MDPJUQPOHRAJDY-ZDUSSCGKSA-N 1 1 329.465 4.310 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000487422079 1043950927 /nfs/dbraw/zinc/95/09/27/1043950927.db2.gz RDBTZDLYHBGBDA-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO N#Cc1cccnc1NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000521881976 1044042607 /nfs/dbraw/zinc/04/26/07/1044042607.db2.gz JWZNFVAFWGIYCZ-SFHVURJKSA-N 1 1 340.858 4.073 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732986338 1044060385 /nfs/dbraw/zinc/06/03/85/1044060385.db2.gz KVOJLCMCDWKERW-GOSISDBHSA-N 1 1 328.362 4.052 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000479407428 1044257972 /nfs/dbraw/zinc/25/79/72/1044257972.db2.gz FMOIMWQFMANASJ-HNNXBMFYSA-N 1 1 345.315 4.131 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000174368813 1044264964 /nfs/dbraw/zinc/26/49/64/1044264964.db2.gz LMUFKAWEGUNPGT-JOCHJYFZSA-N 1 1 344.414 4.355 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CC(=O)OCC(C)C)C(C)(C)C)cc1 ZINC001168016679 1044272714 /nfs/dbraw/zinc/27/27/14/1044272714.db2.gz CXRUJADUNYLFLX-UHFFFAOYSA-N 1 1 333.472 4.051 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CC(=O)OCC(C)C)C(C)(C)C)cc1 ZINC001168016679 1044272726 /nfs/dbraw/zinc/27/27/26/1044272726.db2.gz CXRUJADUNYLFLX-UHFFFAOYSA-N 1 1 333.472 4.051 20 30 EIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509970 1044284280 /nfs/dbraw/zinc/28/42/80/1044284280.db2.gz ZYIPPDSSVYBYGI-ZFWWWQNUSA-N 1 1 343.452 4.015 20 30 EIEDMO C=CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302932 1044307585 /nfs/dbraw/zinc/30/75/85/1044307585.db2.gz VMGDMKJEOGLYBP-FCHUYYIVSA-N 1 1 348.490 4.332 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000466386167 1044350270 /nfs/dbraw/zinc/35/02/70/1044350270.db2.gz NUCXWWTWGPKFED-YSIASYRMSA-N 1 1 343.515 4.208 20 30 EIEDMO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474080464 1044367491 /nfs/dbraw/zinc/36/74/91/1044367491.db2.gz NFUYYTSTQJYRRU-UYAOXDASSA-N 1 1 343.515 4.037 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC001204768481 1044393182 /nfs/dbraw/zinc/39/31/82/1044393182.db2.gz JHOAHLYIJGEZIM-CYBMUJFWSA-N 1 1 344.256 4.299 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1Cl ZINC000069221962 1044415946 /nfs/dbraw/zinc/41/59/46/1044415946.db2.gz SZEAGKPRDAQPLM-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096240 1044473061 /nfs/dbraw/zinc/47/30/61/1044473061.db2.gz LJSKRPSMWQMAFC-IUOVYFEOSA-N 1 1 328.843 4.129 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CCO2)c1 ZINC000761765136 1044478708 /nfs/dbraw/zinc/47/87/08/1044478708.db2.gz ISFKDMWZNAFGSU-HXUWFJFHSA-N 1 1 340.854 4.218 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CCO2)c1 ZINC000761765136 1044478730 /nfs/dbraw/zinc/47/87/30/1044478730.db2.gz ISFKDMWZNAFGSU-HXUWFJFHSA-N 1 1 340.854 4.218 20 30 EIEDMO C=C(C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000675783665 1044495644 /nfs/dbraw/zinc/49/56/44/1044495644.db2.gz PAAYXLHJZGHYQL-QGZVFWFLSA-N 1 1 332.451 4.248 20 30 EIEDMO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000734295782 1044525954 /nfs/dbraw/zinc/52/59/54/1044525954.db2.gz KBALWJORQVSUKF-HNNXBMFYSA-N 1 1 338.411 4.047 20 30 EIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487434195 1044553630 /nfs/dbraw/zinc/55/36/30/1044553630.db2.gz UHFPANGTTGOUGN-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO Cc1[nH+]c(C=NNc2ccnc3cc(Cl)ccc32)c2ccccn12 ZINC000914601282 1044564345 /nfs/dbraw/zinc/56/43/45/1044564345.db2.gz MRFZZHLHGXQOEX-UHFFFAOYSA-N 1 1 335.798 4.290 20 30 EIEDMO C=CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495055116 1044624391 /nfs/dbraw/zinc/62/43/91/1044624391.db2.gz ZBZHVRMXSLPLAQ-CTNGQTDRSA-N 1 1 342.527 4.365 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOCc2ccccc2)c1C ZINC000914695053 1044670535 /nfs/dbraw/zinc/67/05/35/1044670535.db2.gz CKTFOIWLTOVWPF-OAQYLSRUSA-N 1 1 339.483 4.140 20 30 EIEDMO CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000474147691 1044686093 /nfs/dbraw/zinc/68/60/93/1044686093.db2.gz QSCOKJPDSBMYNP-MRXNPFEDSA-N 1 1 348.425 4.466 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1OC(F)F ZINC000495112117 1044689923 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YPZHDLBMDAECFG-UHFFFAOYSA-N 1 1 336.479 4.131 20 30 EIEDMO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCCCC1 ZINC000917077710 1046660787 /nfs/dbraw/zinc/66/07/87/1046660787.db2.gz QXBKTTXBSWAMQS-HNNXBMFYSA-N 1 1 341.480 4.127 20 30 EIEDMO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCCCC1 ZINC000917077710 1046660802 /nfs/dbraw/zinc/66/08/02/1046660802.db2.gz QXBKTTXBSWAMQS-HNNXBMFYSA-N 1 1 341.480 4.127 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)ccc1OC ZINC000127380305 1046661307 /nfs/dbraw/zinc/66/13/07/1046661307.db2.gz FYBOPPCQROWUPE-SFHVURJKSA-N 1 1 326.440 4.315 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000536698453 1046694975 /nfs/dbraw/zinc/69/49/75/1046694975.db2.gz ZSWWAYFGUYUCSD-DNVCBOLYSA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000536698453 1046694986 /nfs/dbraw/zinc/69/49/86/1046694986.db2.gz ZSWWAYFGUYUCSD-DNVCBOLYSA-N 1 1 329.465 4.275 20 30 EIEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(C)c1OCc1ccccn1 ZINC000536711473 1046722048 /nfs/dbraw/zinc/72/20/48/1046722048.db2.gz ZAFFXWPTOGPUDO-MRXNPFEDSA-N 1 1 349.478 4.402 20 30 EIEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(C)c1OCc1ccccn1 ZINC000536711473 1046722061 /nfs/dbraw/zinc/72/20/61/1046722061.db2.gz ZAFFXWPTOGPUDO-MRXNPFEDSA-N 1 1 349.478 4.402 20 30 EIEDMO COc1cccc2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)oc21 ZINC000917175917 1046806824 /nfs/dbraw/zinc/80/68/24/1046806824.db2.gz NYMUJSWCSLQQRA-UHFFFAOYSA-N 1 1 332.403 4.478 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000154368133 1046843117 /nfs/dbraw/zinc/84/31/17/1046843117.db2.gz BJWOKWXTXDTWFY-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO C=CC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000497591106 1046874657 /nfs/dbraw/zinc/87/46/57/1046874657.db2.gz UMOIUHVRFYRGCP-UHFFFAOYSA-N 1 1 332.856 4.340 20 30 EIEDMO C=CC[N@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000497591106 1046874661 /nfs/dbraw/zinc/87/46/61/1046874661.db2.gz UMOIUHVRFYRGCP-UHFFFAOYSA-N 1 1 332.856 4.340 20 30 EIEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CCCC1 ZINC001130138666 1046875209 /nfs/dbraw/zinc/87/52/09/1046875209.db2.gz BMEFMDGNOJWPMO-UHFFFAOYSA-N 1 1 347.528 4.375 20 30 EIEDMO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000497602825 1046883330 /nfs/dbraw/zinc/88/33/30/1046883330.db2.gz PGEZWRUTMWDJMH-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000497602825 1046883338 /nfs/dbraw/zinc/88/33/38/1046883338.db2.gz PGEZWRUTMWDJMH-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(O)ccc2ccncc21 ZINC000917485741 1046907025 /nfs/dbraw/zinc/90/70/25/1046907025.db2.gz WFWMNIIULXZMGZ-UHFFFAOYSA-N 1 1 334.419 4.137 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000537095905 1046945552 /nfs/dbraw/zinc/94/55/52/1046945552.db2.gz WQZARWXTQKQRSD-ZDUSSCGKSA-N 1 1 347.817 4.199 20 30 EIEDMO C[C@@]1(COC(=O)CCCCCC#N)CCCC[N@H+]1Cc1ccccc1 ZINC000805914310 1047051234 /nfs/dbraw/zinc/05/12/34/1047051234.db2.gz GZMOMVRIGXQZDH-NRFANRHFSA-N 1 1 342.483 4.448 20 30 EIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1ccccc1 ZINC000788685435 1047260234 /nfs/dbraw/zinc/26/02/34/1047260234.db2.gz IYZAARXKHJQQDT-SWLSCSKDSA-N 1 1 347.231 4.398 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000666866683 1047268570 /nfs/dbraw/zinc/26/85/70/1047268570.db2.gz YDYVMTHDNHMHJA-QGZVFWFLSA-N 1 1 329.488 4.144 20 30 EIEDMO C=CCCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000476085770 1047304495 /nfs/dbraw/zinc/30/44/95/1047304495.db2.gz VDFOEKQIKKJUAY-UYAOXDASSA-N 1 1 340.511 4.244 20 30 EIEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000918064502 1047310538 /nfs/dbraw/zinc/31/05/38/1047310538.db2.gz SUXKLTOYSKUNRP-SFHVURJKSA-N 1 1 343.515 4.025 20 30 EIEDMO C=CCC(C)(C)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001130801988 1047396777 /nfs/dbraw/zinc/39/67/77/1047396777.db2.gz 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1047631961 /nfs/dbraw/zinc/63/19/61/1047631961.db2.gz YXANJLSNCDQPQC-KRWDZBQOSA-N 1 1 341.499 4.170 20 30 EIEDMO CCc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C2CC2)cc1 ZINC000282076968 1047792224 /nfs/dbraw/zinc/79/22/24/1047792224.db2.gz UDEFJKPNTSZDPA-UHFFFAOYSA-N 1 1 326.484 4.314 20 30 EIEDMO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706297 1047822817 /nfs/dbraw/zinc/82/28/17/1047822817.db2.gz CUOYFYVMTJXGSS-FQEVSTJZSA-N 1 1 340.442 4.107 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000825104517 1048027363 /nfs/dbraw/zinc/02/73/63/1048027363.db2.gz YUXRNRIOLRSJNO-FQEVSTJZSA-N 1 1 335.451 4.357 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985803 1048032771 /nfs/dbraw/zinc/03/27/71/1048032771.db2.gz WFCBSPAQNYFLFT-QGZVFWFLSA-N 1 1 349.409 4.222 20 30 EIEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072776121 1048078950 /nfs/dbraw/zinc/07/89/50/1048078950.db2.gz SWCURZGYYAPJGH-RDJZCZTQSA-N 1 1 345.512 4.141 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCCCC#N)C2)C1 ZINC000814673330 1048111391 /nfs/dbraw/zinc/11/13/91/1048111391.db2.gz IDXNPGABOCERQR-MSOLQXFVSA-N 1 1 349.519 4.039 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C)cc1 ZINC000808795421 1048112890 /nfs/dbraw/zinc/11/28/90/1048112890.db2.gz NDXJIGNPSGWIDY-UHFFFAOYSA-N 1 1 338.451 4.398 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1C(F)(F)F ZINC001143646299 1048134727 /nfs/dbraw/zinc/13/47/27/1048134727.db2.gz MYSWSRNHRZMTMT-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143768037 1048185709 /nfs/dbraw/zinc/18/57/09/1048185709.db2.gz VLMWAWXUQQEDSZ-SFHVURJKSA-N 1 1 342.389 4.188 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143768037 1048185712 /nfs/dbraw/zinc/18/57/12/1048185712.db2.gz VLMWAWXUQQEDSZ-SFHVURJKSA-N 1 1 342.389 4.188 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001143781075 1048199504 /nfs/dbraw/zinc/19/95/04/1048199504.db2.gz JTWNWVCGCVDMFN-LBPRGKRZSA-N 1 1 345.258 4.294 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001143781075 1048199518 /nfs/dbraw/zinc/19/95/18/1048199518.db2.gz JTWNWVCGCVDMFN-LBPRGKRZSA-N 1 1 345.258 4.294 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144069294 1048396560 /nfs/dbraw/zinc/39/65/60/1048396560.db2.gz QBHSYPKNXIHQIP-MTQWCTHYSA-N 1 1 342.527 4.010 20 30 EIEDMO C=C(C)C[N@H+](C[C@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC001171143185 1048453236 /nfs/dbraw/zinc/45/32/36/1048453236.db2.gz JHBCGTZQSKQGCH-GCJKJVERSA-N 1 1 339.479 4.238 20 30 EIEDMO CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169322 1048483260 /nfs/dbraw/zinc/48/32/60/1048483260.db2.gz FSNQZMPPXMGHNZ-SFHVURJKSA-N 1 1 335.451 4.120 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815593630 1048526643 /nfs/dbraw/zinc/52/66/43/1048526643.db2.gz SOLGTXWODJRQQV-ZDUSSCGKSA-N 1 1 349.352 4.274 20 30 EIEDMO C[NH+](C)[C@@H](CNc1ccc(CC#N)cn1)c1ccc(Cl)cc1Cl ZINC001170587005 1048527964 /nfs/dbraw/zinc/52/79/64/1048527964.db2.gz ZJJXEJKSSGHCAJ-INIZCTEOSA-N 1 1 349.265 4.169 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047951 1048609497 /nfs/dbraw/zinc/60/94/97/1048609497.db2.gz QEXCTMYEXZFIHJ-QHCPKHFHSA-N 1 1 346.474 4.457 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001144580440 1048729390 /nfs/dbraw/zinc/72/93/90/1048729390.db2.gz CCGAULRIMILTJU-LJQANCHMSA-N 1 1 345.364 4.260 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001144580440 1048729400 /nfs/dbraw/zinc/72/94/00/1048729400.db2.gz CCGAULRIMILTJU-LJQANCHMSA-N 1 1 345.364 4.260 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001144573887 1048734076 /nfs/dbraw/zinc/73/40/76/1048734076.db2.gz SCEWZQYAEIXXTE-HSZRJFAPSA-N 1 1 348.465 4.048 20 30 EIEDMO FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3C(F)(F)F)C[C@H]12 ZINC001138021557 1048744396 /nfs/dbraw/zinc/74/43/96/1048744396.db2.gz ODVMZJJTYVBDBM-CNDDSTCGSA-N 1 1 341.270 4.372 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001171202329 1048769821 /nfs/dbraw/zinc/76/98/21/1048769821.db2.gz BKZNIQMMUMRMBP-WZONZLPQSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001171211450 1048809556 /nfs/dbraw/zinc/80/95/56/1048809556.db2.gz ZUGMRLXRHRZFKF-ZDUSSCGKSA-N 1 1 333.357 4.035 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)n1ccc([C@H](C)[NH2+]Cc2ccccc2)n1 ZINC001171228722 1048866733 /nfs/dbraw/zinc/86/67/33/1048866733.db2.gz IJJAAWGGUJBYTI-MSOLQXFVSA-N 1 1 344.462 4.409 20 30 EIEDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC001144978177 1048954461 /nfs/dbraw/zinc/95/44/61/1048954461.db2.gz PISWVWASJORAQD-VQTJNVASSA-N 1 1 349.434 4.019 20 30 EIEDMO C[C@@H](CNc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000609495622 1049087310 /nfs/dbraw/zinc/08/73/10/1049087310.db2.gz DHKQBDJAUMXCDP-AWEZNQCLSA-N 1 1 325.843 4.070 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000135224384 1049087851 /nfs/dbraw/zinc/08/78/51/1049087851.db2.gz LLOKVKCPCXUJIC-JOCHJYFZSA-N 1 1 348.490 4.360 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001171333362 1049334505 /nfs/dbraw/zinc/33/45/05/1049334505.db2.gz VXLKYSUVCVAOSJ-WMZOPIPTSA-N 1 1 346.540 4.163 20 30 EIEDMO C[N@H+](Cc1cnc(-c2ccsc2)s1)Cc1cccc(C#N)c1 ZINC000130765739 1049340529 /nfs/dbraw/zinc/34/05/29/1049340529.db2.gz XBAQPDDTTSQVEV-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO C[N@@H+](Cc1cnc(-c2ccsc2)s1)Cc1cccc(C#N)c1 ZINC000130765739 1049340539 /nfs/dbraw/zinc/34/05/39/1049340539.db2.gz XBAQPDDTTSQVEV-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC001170662221 1049366363 /nfs/dbraw/zinc/36/63/63/1049366363.db2.gz XFOVFWRSGGYBTA-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000609891485 1049384108 /nfs/dbraw/zinc/38/41/08/1049384108.db2.gz RQRWYHFRLRBWAA-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO N#Cc1c(C[NH+]2CCC(c3ccccc3F)CC2)cn2ccccc12 ZINC000609895449 1049386829 /nfs/dbraw/zinc/38/68/29/1049386829.db2.gz VRIWFAULDNBYDQ-UHFFFAOYSA-N 1 1 333.410 4.330 20 30 EIEDMO N#Cc1c(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916557 1049393637 /nfs/dbraw/zinc/39/36/37/1049393637.db2.gz XTMFRJLEEYZVCK-KRWDZBQOSA-N 1 1 333.410 4.015 20 30 EIEDMO C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000609963944 1049421855 /nfs/dbraw/zinc/42/18/55/1049421855.db2.gz KQPVMWZTFWSRSO-STQMWFEESA-N 1 1 325.378 4.109 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCCC3(CCC3)C2)c2ccccc21 ZINC000348184367 1049476893 /nfs/dbraw/zinc/47/68/93/1049476893.db2.gz WFPZHQVQIAUDLY-UHFFFAOYSA-N 1 1 335.451 4.004 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCC3(CCC3)C2)c2ccccc21 ZINC000348184367 1049476902 /nfs/dbraw/zinc/47/69/02/1049476902.db2.gz WFPZHQVQIAUDLY-UHFFFAOYSA-N 1 1 335.451 4.004 20 30 EIEDMO COc1ccc(C(C)=NNc2ccccc2F)cc1C[NH+]1CCCC1 ZINC000812459563 1049480083 /nfs/dbraw/zinc/48/00/83/1049480083.db2.gz AVUHYVZQUCBEKF-UHFFFAOYSA-N 1 1 341.430 4.266 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000610132616 1049555404 /nfs/dbraw/zinc/55/54/04/1049555404.db2.gz KZPCALIWDHCHTO-LJQANCHMSA-N 1 1 338.451 4.419 20 30 EIEDMO CC(C)c1nccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000773089974 1049577169 /nfs/dbraw/zinc/57/71/69/1049577169.db2.gz CSMSWNWOFABUDA-KDURUIRLSA-N 1 1 349.482 4.195 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(Br)c1)c1ccc(F)cc1 ZINC000812795369 1049593834 /nfs/dbraw/zinc/59/38/34/1049593834.db2.gz TWMXYXKJLNOZSJ-INIZCTEOSA-N 1 1 348.215 4.061 20 30 EIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001247622911 1049605114 /nfs/dbraw/zinc/60/51/14/1049605114.db2.gz SHGFFYDIDLEKRX-NSHDSACASA-N 1 1 342.624 4.119 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853863 1049615872 /nfs/dbraw/zinc/61/58/72/1049615872.db2.gz TWHLNGMQILVXHC-KUHUBIRLSA-N 1 1 328.843 4.156 20 30 EIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001133494659 1049620968 /nfs/dbraw/zinc/62/09/68/1049620968.db2.gz QIFKLTSFNKLEPR-BZSNNMDCSA-N 1 1 340.577 4.069 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000237601865 1049649901 /nfs/dbraw/zinc/64/99/01/1049649901.db2.gz AYNRKUCMSDMQMW-OAHLLOKOSA-N 1 1 349.459 4.391 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000615468631 1049700392 /nfs/dbraw/zinc/70/03/92/1049700392.db2.gz ODNCZPHXPBFALB-UHFFFAOYSA-N 1 1 326.484 4.411 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC001171491518 1049719233 /nfs/dbraw/zinc/71/92/33/1049719233.db2.gz VWUQFWGSAXKESO-OAQYLSRUSA-N 1 1 338.426 4.303 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171471390 1049725815 /nfs/dbraw/zinc/72/58/15/1049725815.db2.gz HKMRQVILNLJPTM-GOSISDBHSA-N 1 1 326.390 4.238 20 30 EIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001171572416 1049757766 /nfs/dbraw/zinc/75/77/66/1049757766.db2.gz IGHLTRWGPOISHZ-LBPRGKRZSA-N 1 1 329.387 4.152 20 30 EIEDMO N#C[C@H]1CC[N@H+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654603 1049771119 /nfs/dbraw/zinc/77/11/19/1049771119.db2.gz YJOMAHASLAGKHI-BZOOQXSSSA-N 1 1 333.273 4.321 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000615798793 1049780148 /nfs/dbraw/zinc/78/01/48/1049780148.db2.gz YEVPXCCYEKNCIB-OALUTQOASA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000615798795 1049780723 /nfs/dbraw/zinc/78/07/23/1049780723.db2.gz YEVPXCCYEKNCIB-RTBURBONSA-N 1 1 347.506 4.113 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842148 1049812688 /nfs/dbraw/zinc/81/26/88/1049812688.db2.gz ZLASBTWCSJZVAS-MAUKXSAKSA-N 1 1 334.891 4.195 20 30 EIEDMO N#Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000813790018 1049817417 /nfs/dbraw/zinc/81/74/17/1049817417.db2.gz GZRJWQRTBOLHRO-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000813790018 1049817420 /nfs/dbraw/zinc/81/74/20/1049817420.db2.gz GZRJWQRTBOLHRO-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000813790018 1049817422 /nfs/dbraw/zinc/81/74/22/1049817422.db2.gz GZRJWQRTBOLHRO-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO CC(C)[C@@H](c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823195282 1049829792 /nfs/dbraw/zinc/82/97/92/1049829792.db2.gz UAUBSGFIHCXCSY-HUUCEWRRSA-N 1 1 332.835 4.205 20 30 EIEDMO N#CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172074654 1049845076 /nfs/dbraw/zinc/84/50/76/1049845076.db2.gz JLBFWRCNZLBTHU-ZBYYUNFXSA-N 1 1 337.511 4.198 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172064538 1049851127 /nfs/dbraw/zinc/85/11/27/1049851127.db2.gz GZRJWQRTBOLHRO-WBDAEOGXSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172064538 1049851130 /nfs/dbraw/zinc/85/11/30/1049851130.db2.gz GZRJWQRTBOLHRO-WBDAEOGXSA-N 1 1 345.490 4.234 20 30 EIEDMO N#CC1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172069620 1049852482 /nfs/dbraw/zinc/85/24/82/1049852482.db2.gz VXSWURBFOWBBHX-MZADTFQBSA-N 1 1 337.511 4.246 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000823619097 1049863121 /nfs/dbraw/zinc/86/31/21/1049863121.db2.gz XGRIGRQCQCFUCK-AWEZNQCLSA-N 1 1 339.826 4.307 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000823619183 1049863162 /nfs/dbraw/zinc/86/31/62/1049863162.db2.gz ZFLSLOIJOYEZAU-CYBMUJFWSA-N 1 1 346.352 4.496 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC001172314631 1049875921 /nfs/dbraw/zinc/87/59/21/1049875921.db2.gz KZQGEEIADLYKNA-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172320406 1049877378 /nfs/dbraw/zinc/87/73/78/1049877378.db2.gz VDWLIVAAUZIGBM-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354271 1049892803 /nfs/dbraw/zinc/89/28/03/1049892803.db2.gz FZYPHKWRCHTLNK-CADBVGFASA-N 1 1 349.519 4.149 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001172357206 1049894444 /nfs/dbraw/zinc/89/44/44/1049894444.db2.gz JGOJOQLGOFAWSD-QGZVFWFLSA-N 1 1 349.519 4.405 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001172497725 1049921618 /nfs/dbraw/zinc/92/16/18/1049921618.db2.gz DUJCZYQDQQLPOX-DBXWQHBBSA-N 1 1 325.500 4.226 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001172493789 1049921881 /nfs/dbraw/zinc/92/18/81/1049921881.db2.gz CYGQRPFKGIIINZ-IEBWSBKVSA-N 1 1 347.453 4.306 20 30 EIEDMO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H](C)CCCC#N)C3)c1 ZINC001172495126 1049922127 /nfs/dbraw/zinc/92/21/27/1049922127.db2.gz MVWJPSMVQCZKLO-TYPHKJRUSA-N 1 1 341.499 4.091 20 30 EIEDMO CCCC[C@H]1C[N@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498441 1049923409 /nfs/dbraw/zinc/92/34/09/1049923409.db2.gz MWLAXGCKZLCWMS-IRXDYDNUSA-N 1 1 337.508 4.180 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001172510274 1049926202 /nfs/dbraw/zinc/92/62/02/1049926202.db2.gz YTUUZATXRSYIDK-CQSZACIVSA-N 1 1 328.847 4.101 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(C#N)c1 ZINC000617217492 1049964443 /nfs/dbraw/zinc/96/44/43/1049964443.db2.gz WACHZWFNXSKDNP-GFCCVEGCSA-N 1 1 340.224 4.043 20 30 EIEDMO CCC(CC)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC001177199560 1050159504 /nfs/dbraw/zinc/15/95/04/1050159504.db2.gz LUBJAWSCGKHVLJ-OAQYLSRUSA-N 1 1 341.543 4.478 20 30 EIEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC001177209650 1050160709 /nfs/dbraw/zinc/16/07/09/1050160709.db2.gz PZKINJUQXXGEND-FQEVSTJZSA-N 1 1 327.516 4.088 20 30 EIEDMO C=CCN1CC[C@@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1=O ZINC001173116429 1050312453 /nfs/dbraw/zinc/31/24/53/1050312453.db2.gz NRNHWFRUARKDQM-JOCHJYFZSA-N 1 1 344.543 4.380 20 30 EIEDMO N#Cc1ccc2c(c1)C[N@@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173199888 1050345700 /nfs/dbraw/zinc/34/57/00/1050345700.db2.gz KIGFSVQYFRZTOR-UHFFFAOYSA-N 1 1 332.447 4.307 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249157 1050376640 /nfs/dbraw/zinc/37/66/40/1050376640.db2.gz YCZSBVGJDWUGOD-NYVOZVTQSA-N 1 1 343.511 4.006 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](CCCC)CC(C)C ZINC001173262828 1050386637 /nfs/dbraw/zinc/38/66/37/1050386637.db2.gz UREJCHTYJPLNOO-HKUYNNGSSA-N 1 1 348.535 4.005 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](CCCC)CC(C)C ZINC001173262831 1050386925 /nfs/dbraw/zinc/38/69/25/1050386925.db2.gz UREJCHTYJPLNOO-IEBWSBKVSA-N 1 1 348.535 4.005 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@@H](CC)C3)C2)CC1 ZINC001173275871 1050389731 /nfs/dbraw/zinc/38/97/31/1050389731.db2.gz WIAJEAUALQMPOO-QZTJIDSGSA-N 1 1 334.504 4.066 20 30 EIEDMO CCCCCCCC[C@H](CCC)[NH2+]CCCN1CCN(C)CC1 ZINC001173308694 1050404703 /nfs/dbraw/zinc/40/47/03/1050404703.db2.gz ODVZZMMDXPKBDT-FQEVSTJZSA-N 1 1 325.585 4.133 20 30 EIEDMO Cc1nsc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001186756905 1050406788 /nfs/dbraw/zinc/40/67/88/1050406788.db2.gz HOHKOKATQCKVFF-HNNXBMFYSA-N 1 1 329.494 4.080 20 30 EIEDMO C=CCOC1CCC([N@H+](C)[C@@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322721 1050414628 /nfs/dbraw/zinc/41/46/28/1050414628.db2.gz JWMAJKRJWWNLIB-MHJFOBGBSA-N 1 1 329.484 4.484 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326667 1050418599 /nfs/dbraw/zinc/41/85/99/1050418599.db2.gz MJJUHRDIMKIFTI-CBNMVNINSA-N 1 1 329.484 4.056 20 30 EIEDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173331018 1050422076 /nfs/dbraw/zinc/42/20/76/1050422076.db2.gz JTBIKSFVCOGOKM-RZZCCWGQSA-N 1 1 349.519 4.084 20 30 EIEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)C1CCC(CC#N)CC1 ZINC001173331855 1050423447 /nfs/dbraw/zinc/42/34/47/1050423447.db2.gz UTOPNXWJKDYZIX-UHFFFAOYSA-N 1 1 325.378 4.047 20 30 EIEDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+](C4CCC(CC#N)CC4)C[C@H]3O2)n1 ZINC001173335997 1050425000 /nfs/dbraw/zinc/42/50/00/1050425000.db2.gz JMTNUJGJTZFPHL-PCNFGOCFSA-N 1 1 345.512 4.076 20 30 EIEDMO N#CCC1CCC([NH+]2CCC(N)(c3cccc(Cl)c3)CC2)CC1 ZINC001173334315 1050425465 /nfs/dbraw/zinc/42/54/65/1050425465.db2.gz VIVWDEVMWZRZJC-UHFFFAOYSA-N 1 1 331.891 4.062 20 30 EIEDMO N#CCC1CCC([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001173337071 1050425648 /nfs/dbraw/zinc/42/56/48/1050425648.db2.gz YASHPKYGRKXMHA-UHFFFAOYSA-N 1 1 338.373 4.416 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173336541 1050425898 /nfs/dbraw/zinc/42/58/98/1050425898.db2.gz CWYDTQRZJSFMDE-SYYJFZTOSA-N 1 1 326.484 4.422 20 30 EIEDMO CC[N@@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173338083 1050427092 /nfs/dbraw/zinc/42/70/92/1050427092.db2.gz WSUKYAQAHSPWLN-ABHNRTSZSA-N 1 1 349.519 4.180 20 30 EIEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173337781 1050428631 /nfs/dbraw/zinc/42/86/31/1050428631.db2.gz SUEOGIDWUAATBW-ADKAHSJRSA-N 1 1 349.519 4.038 20 30 EIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345603 1050433716 /nfs/dbraw/zinc/43/37/16/1050433716.db2.gz TZTXYEOUJYLZHK-KNQAVFIVSA-N 1 1 344.543 4.380 20 30 EIEDMO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001173588475 1050495053 /nfs/dbraw/zinc/49/50/53/1050495053.db2.gz IJNJXDJOLYSFDF-YFZZKHBCSA-N 1 1 337.511 4.244 20 30 EIEDMO COc1cccc(O[C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173596422 1050496210 /nfs/dbraw/zinc/49/62/10/1050496210.db2.gz WOQKSJCICPYARM-NQKNOSNGSA-N 1 1 328.456 4.011 20 30 EIEDMO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173592357 1050496819 /nfs/dbraw/zinc/49/68/19/1050496819.db2.gz NCYZZIBONFCXJS-ZRDSACAASA-N 1 1 349.519 4.084 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)cc1OC ZINC001173595869 1050497520 /nfs/dbraw/zinc/49/75/20/1050497520.db2.gz ADIXXJTVVBTXPH-OHTSDLOESA-N 1 1 328.456 4.313 20 30 EIEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596806 1050498950 /nfs/dbraw/zinc/49/89/50/1050498950.db2.gz DHSOXQBPEVKSAF-RRWXTXHCSA-N 1 1 349.519 4.086 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001173597077 1050500279 /nfs/dbraw/zinc/50/02/79/1050500279.db2.gz KQHUSXCPUGVSFC-NYLDSWQDSA-N 1 1 325.500 4.055 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000618741745 1050500816 /nfs/dbraw/zinc/50/08/16/1050500816.db2.gz MAFFWTSVAACMPH-SFHVURJKSA-N 1 1 331.444 4.459 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000618801691 1050519417 /nfs/dbraw/zinc/51/94/17/1050519417.db2.gz BRJLGPRUFGRRIB-JWNTYJGQSA-N 1 1 345.490 4.046 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC001173670930 1050522647 /nfs/dbraw/zinc/52/26/47/1050522647.db2.gz MVSZMZJBCWDPTH-UHFFFAOYSA-N 1 1 326.406 4.091 20 30 EIEDMO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808024 1050536817 /nfs/dbraw/zinc/53/68/17/1050536817.db2.gz YNSNMQRGPSMPKW-CNDZOEFASA-N 1 1 337.511 4.178 20 30 EIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775144739 1050625739 /nfs/dbraw/zinc/62/57/39/1050625739.db2.gz USVAXPKTHUDLCH-GFCCVEGCSA-N 1 1 348.805 4.241 20 30 EIEDMO C#CCOc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC001179295131 1050664918 /nfs/dbraw/zinc/66/49/18/1050664918.db2.gz KOIBDXZYAOCRTO-UHFFFAOYSA-N 1 1 327.374 4.146 20 30 EIEDMO CCCCCCCCS(=O)(=O)[N-]c1cccn2c(C)c(C)[nH+]c12 ZINC001188002158 1050668501 /nfs/dbraw/zinc/66/85/01/1050668501.db2.gz XXWOVZIFNSRAIA-UHFFFAOYSA-N 1 1 337.489 4.053 20 30 EIEDMO CC(C)Oc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001174112334 1050737432 /nfs/dbraw/zinc/73/74/32/1050737432.db2.gz GIGOFFOPAKJWSO-UHFFFAOYSA-N 1 1 327.453 4.138 20 30 EIEDMO CCOc1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC001179989743 1050842999 /nfs/dbraw/zinc/84/29/99/1050842999.db2.gz VHQKHRDNYALMAB-UHFFFAOYSA-N 1 1 332.447 4.199 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097108 1050866413 /nfs/dbraw/zinc/86/64/13/1050866413.db2.gz BCCPCGWNTBDGGI-PMACEKPBSA-N 1 1 342.483 4.127 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC001180051933 1050867824 /nfs/dbraw/zinc/86/78/24/1050867824.db2.gz MRTBFQPPWRTMMZ-FUHWJXTLSA-N 1 1 335.900 4.212 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC001180051937 1050868561 /nfs/dbraw/zinc/86/85/61/1050868561.db2.gz MRTBFQPPWRTMMZ-WMZOPIPTSA-N 1 1 335.900 4.212 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183356 1050894441 /nfs/dbraw/zinc/89/44/41/1050894441.db2.gz CBQPHUCURBYFTP-LJQANCHMSA-N 1 1 326.390 4.434 20 30 EIEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(Cl)c(C#N)c3)c2C1 ZINC001174403664 1050909710 /nfs/dbraw/zinc/90/97/10/1050909710.db2.gz URKQSVCBECNXLM-UHFFFAOYSA-N 1 1 346.887 4.367 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153001006 1050926710 /nfs/dbraw/zinc/92/67/10/1050926710.db2.gz BBYSBTHLHKTFRY-LJQANCHMSA-N 1 1 331.460 4.066 20 30 EIEDMO Cc1cc(NCc2cccc(F)c2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC001180301206 1050944560 /nfs/dbraw/zinc/94/45/60/1050944560.db2.gz KVFTZDCQSWBHEN-HNNXBMFYSA-N 1 1 338.430 4.392 20 30 EIEDMO CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001174572961 1051059944 /nfs/dbraw/zinc/05/99/44/1051059944.db2.gz CABOPWGWDZDQBY-XXBNENTESA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572961 1051059951 /nfs/dbraw/zinc/05/99/51/1051059951.db2.gz CABOPWGWDZDQBY-XXBNENTESA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572961 1051059956 /nfs/dbraw/zinc/05/99/56/1051059956.db2.gz CABOPWGWDZDQBY-XXBNENTESA-N 1 1 347.506 4.462 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643035 1051096937 /nfs/dbraw/zinc/09/69/37/1051096937.db2.gz ZQWXUDSEDCZCIK-HXUWFJFHSA-N 1 1 328.500 4.321 20 30 EIEDMO COc1ccc(C[N@@H+](C[C@@H](C)CCC#N)CC2CCC2)c(OC)c1 ZINC001181154217 1051169458 /nfs/dbraw/zinc/16/94/58/1051169458.db2.gz MZUBUNOCRYCWMK-INIZCTEOSA-N 1 1 330.472 4.246 20 30 EIEDMO CCCC[N@H+](C)CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001190406702 1051176730 /nfs/dbraw/zinc/17/67/30/1051176730.db2.gz JNUAGWHSITYHOC-UHFFFAOYSA-N 1 1 333.907 4.156 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001190406702 1051176734 /nfs/dbraw/zinc/17/67/34/1051176734.db2.gz JNUAGWHSITYHOC-UHFFFAOYSA-N 1 1 333.907 4.156 20 30 EIEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758108 1051179990 /nfs/dbraw/zinc/17/99/90/1051179990.db2.gz ACFFQVHIWPSNMU-PBHICJAKSA-N 1 1 340.389 4.031 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190486235 1051188407 /nfs/dbraw/zinc/18/84/07/1051188407.db2.gz XYPYNCXUBULMDA-SFHVURJKSA-N 1 1 337.797 4.340 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190486235 1051188413 /nfs/dbraw/zinc/18/84/13/1051188413.db2.gz XYPYNCXUBULMDA-SFHVURJKSA-N 1 1 337.797 4.340 20 30 EIEDMO C#CC[N@H+](Cc1ccccc1OC(F)F)[C@H]1CCc2ccccc21 ZINC001190529656 1051206065 /nfs/dbraw/zinc/20/60/65/1051206065.db2.gz VMKKUQAXEUTZEZ-SFHVURJKSA-N 1 1 327.374 4.411 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2CCCC2)c1 ZINC001190572218 1051217875 /nfs/dbraw/zinc/21/78/75/1051217875.db2.gz SJVNXKDGXIKMIJ-SFHVURJKSA-N 1 1 341.499 4.061 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000775398842 1051227548 /nfs/dbraw/zinc/22/75/48/1051227548.db2.gz CINSOYQSLLHSPZ-IBGZPJMESA-N 1 1 337.373 4.005 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000775412476 1051279642 /nfs/dbraw/zinc/27/96/42/1051279642.db2.gz NEPGJMKGPATNJN-KRWDZBQOSA-N 1 1 330.790 4.354 20 30 EIEDMO Fc1cccc(F)c1CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001190975730 1051317500 /nfs/dbraw/zinc/31/75/00/1051317500.db2.gz HISRXJNDQZPCSR-UHFFFAOYSA-N 1 1 347.249 4.324 20 30 EIEDMO Fc1cccc(F)c1CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001190975730 1051317510 /nfs/dbraw/zinc/31/75/10/1051317510.db2.gz HISRXJNDQZPCSR-UHFFFAOYSA-N 1 1 347.249 4.324 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c1C#N ZINC001190954030 1051322336 /nfs/dbraw/zinc/32/23/36/1051322336.db2.gz GMUHEKZZLQTVNR-FQEVSTJZSA-N 1 1 336.435 4.174 20 30 EIEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000773954609 1051328498 /nfs/dbraw/zinc/32/84/98/1051328498.db2.gz JTLNGUIRYYSECQ-INIZCTEOSA-N 1 1 340.492 4.412 20 30 EIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156571 1051366855 /nfs/dbraw/zinc/36/68/55/1051366855.db2.gz LXGHIXWUZFUSRH-CRAIPNDOSA-N 1 1 335.407 4.153 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)cc1 ZINC001191144517 1051381580 /nfs/dbraw/zinc/38/15/80/1051381580.db2.gz JVVMUSHDTUAOOL-JOCHJYFZSA-N 1 1 346.474 4.450 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)ccc1Cl ZINC001191193195 1051393643 /nfs/dbraw/zinc/39/36/43/1051393643.db2.gz JZBVAVNUKHOTSU-HOCLYGCPSA-N 1 1 347.890 4.016 20 30 EIEDMO N#Cc1ccc(CC[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001191485054 1051464488 /nfs/dbraw/zinc/46/44/88/1051464488.db2.gz CJOWWAJSCLCQKZ-UHFFFAOYSA-N 1 1 331.246 4.466 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001191485054 1051464494 /nfs/dbraw/zinc/46/44/94/1051464494.db2.gz CJOWWAJSCLCQKZ-UHFFFAOYSA-N 1 1 331.246 4.466 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1C#N ZINC001175410578 1051579127 /nfs/dbraw/zinc/57/91/27/1051579127.db2.gz LTSCUYRNGLSGCV-QGZVFWFLSA-N 1 1 330.435 4.123 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001182497908 1051620513 /nfs/dbraw/zinc/62/05/13/1051620513.db2.gz FHVHEEAFQFBXSL-ZDUSSCGKSA-N 1 1 329.394 4.095 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001182497908 1051620520 /nfs/dbraw/zinc/62/05/20/1051620520.db2.gz FHVHEEAFQFBXSL-ZDUSSCGKSA-N 1 1 329.394 4.095 20 30 EIEDMO N#Cc1c(F)c(F)cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1F ZINC001175507794 1051640627 /nfs/dbraw/zinc/64/06/27/1051640627.db2.gz WVNHMOHDYVPNPQ-UHFFFAOYSA-N 1 1 343.352 4.177 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175580214 1051676573 /nfs/dbraw/zinc/67/65/73/1051676573.db2.gz XBUHVBZPVHVEOD-RTBURBONSA-N 1 1 348.531 4.292 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000774565598 1051770898 /nfs/dbraw/zinc/77/08/98/1051770898.db2.gz LLOHTFOVOARKMQ-IFXJQAMLSA-N 1 1 328.843 4.328 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774569084 1051779639 /nfs/dbraw/zinc/77/96/39/1051779639.db2.gz XCFIMKRLEGUCKB-LJQANCHMSA-N 1 1 331.843 4.070 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001183180138 1051802135 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EIEDMO C#CC[N@@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C1CSC1 ZINC001183420100 1051841845 /nfs/dbraw/zinc/84/18/45/1051841845.db2.gz VFYPOEHRCSNUDX-UHFFFAOYSA-N 1 1 339.460 4.038 20 30 EIEDMO C#CC[N@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C1CSC1 ZINC001183420100 1051841848 /nfs/dbraw/zinc/84/18/48/1051841848.db2.gz VFYPOEHRCSNUDX-UHFFFAOYSA-N 1 1 339.460 4.038 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854927 /nfs/dbraw/zinc/85/49/27/1051854927.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854933 /nfs/dbraw/zinc/85/49/33/1051854933.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854939 /nfs/dbraw/zinc/85/49/39/1051854939.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 1 1 345.490 4.073 20 30 EIEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC001176071736 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/nfs/dbraw/zinc/70/04/40/1053700440.db2.gz IXHARXQBHVNUNS-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3csc(C#N)c3)cc2)C1 ZINC000921528789 1053700455 /nfs/dbraw/zinc/70/04/55/1053700455.db2.gz IXHARXQBHVNUNS-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC001196827873 1053783553 /nfs/dbraw/zinc/78/35/53/1053783553.db2.gz BTMYPFPNOIOVRY-PBHICJAKSA-N 1 1 340.389 4.488 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)cc1 ZINC000794940893 1053816064 /nfs/dbraw/zinc/81/60/64/1053816064.db2.gz DUBYRIMRVNCWAA-VURMDHGXSA-N 1 1 340.329 4.061 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)c1 ZINC001196982457 1053817689 /nfs/dbraw/zinc/81/76/89/1053817689.db2.gz NQANDCWBANGXIP-QHCPKHFHSA-N 1 1 342.442 4.294 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121778836 1053847214 /nfs/dbraw/zinc/84/72/14/1053847214.db2.gz LLSPOUMBOVUFHF-HKUYNNGSSA-N 1 1 342.414 4.159 20 30 EIEDMO C#CCCCCC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000855469884 1053928408 /nfs/dbraw/zinc/92/84/08/1053928408.db2.gz VXWZTQDJICFZPY-UHFFFAOYSA-N 1 1 341.480 4.023 20 30 EIEDMO CC#CC[N@H+]1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587692 1053948676 /nfs/dbraw/zinc/94/86/76/1053948676.db2.gz DDQXAZYESCCPLU-MJGOQNOKSA-N 1 1 348.531 4.195 20 30 EIEDMO CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001198026444 1054059400 /nfs/dbraw/zinc/05/94/00/1054059400.db2.gz GRJROAGAJYYARC-OAHLLOKOSA-N 1 1 345.368 4.139 20 30 EIEDMO N#CCCOCC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000339098802 1054066613 /nfs/dbraw/zinc/06/66/13/1054066613.db2.gz SPQVETDVOVMJGA-INIZCTEOSA-N 1 1 328.481 4.086 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001198406013 1054138415 /nfs/dbraw/zinc/13/84/15/1054138415.db2.gz CYGAHOUJOQFFDE-CQSZACIVSA-N 1 1 336.863 4.026 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000123456453 1054149453 /nfs/dbraw/zinc/14/94/53/1054149453.db2.gz XIVKACYOGMYCSW-HXUWFJFHSA-N 1 1 348.471 4.356 20 30 EIEDMO C=CCCCC[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837697 1054286978 /nfs/dbraw/zinc/28/69/78/1054286978.db2.gz PMBHOUFJYKGRQR-FXAWDEMLSA-N 1 1 336.520 4.360 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001203922497 1054301868 /nfs/dbraw/zinc/30/18/68/1054301868.db2.gz VTBNBDUTBZKVAF-LJQANCHMSA-N 1 1 326.827 4.255 20 30 EIEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC001199162044 1054356879 /nfs/dbraw/zinc/35/68/79/1054356879.db2.gz NXZQILUBGXPIBF-FQEVSTJZSA-N 1 1 329.532 4.334 20 30 EIEDMO CCOc1cccc(C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001199329685 1054395362 /nfs/dbraw/zinc/39/53/62/1054395362.db2.gz XZKXNHVZNZROJN-UHFFFAOYSA-N 1 1 345.240 4.009 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858019025 1054401793 /nfs/dbraw/zinc/40/17/93/1054401793.db2.gz FBKATEAXHDZBLO-SFHVURJKSA-N 1 1 327.472 4.132 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279630 1054432344 /nfs/dbraw/zinc/43/23/44/1054432344.db2.gz GFWAGFVQWURUNS-IBGZPJMESA-N 1 1 326.484 4.411 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014457 1054439582 /nfs/dbraw/zinc/43/95/82/1054439582.db2.gz RTFXJXFOCHCEII-PBHICJAKSA-N 1 1 325.374 4.252 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H]2CCCc3scnc32)cc(OC)c1OC ZINC000858376715 1054477403 /nfs/dbraw/zinc/47/74/03/1054477403.db2.gz PHUMZSMPTUJWJS-OAHLLOKOSA-N 1 1 344.480 4.056 20 30 EIEDMO CC(C)Nc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001201487500 1054817277 /nfs/dbraw/zinc/81/72/77/1054817277.db2.gz JDRFYSLOYPJFDE-UHFFFAOYSA-N 1 1 326.469 4.172 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCOCCC#N)C1 ZINC000339021599 1054881593 /nfs/dbraw/zinc/88/15/93/1054881593.db2.gz BZBAVQMTDAGQOW-CZUORRHYSA-N 1 1 326.362 4.019 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001201804387 1054910729 /nfs/dbraw/zinc/91/07/29/1054910729.db2.gz JFAMNULJSMGXNK-UHFFFAOYSA-N 1 1 334.552 4.244 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001201814193 1054910977 /nfs/dbraw/zinc/91/09/77/1054910977.db2.gz MTRLJXUULSZPRK-UHFFFAOYSA-N 1 1 338.499 4.300 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001201814599 1054912841 /nfs/dbraw/zinc/91/28/41/1054912841.db2.gz QISMXDPBSCGTPW-WOJBJXKFSA-N 1 1 343.515 4.007 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001201815184 1054916177 /nfs/dbraw/zinc/91/61/77/1054916177.db2.gz YMVCDIWIXOXHME-GOSISDBHSA-N 1 1 333.520 4.106 20 30 EIEDMO CCCCCCC[N@H+](Cc1cnn(CC)c1)Cc1c(C)nn(C)c1C ZINC001201787559 1054920672 /nfs/dbraw/zinc/92/06/72/1054920672.db2.gz FFTMSVZRJKYAGZ-UHFFFAOYSA-N 1 1 345.535 4.226 20 30 EIEDMO CCCCCCC[N@@H+](Cc1cnn(CC)c1)Cc1c(C)nn(C)c1C ZINC001201787559 1054920684 /nfs/dbraw/zinc/92/06/84/1054920684.db2.gz FFTMSVZRJKYAGZ-UHFFFAOYSA-N 1 1 345.535 4.226 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001201846959 1054934239 /nfs/dbraw/zinc/93/42/39/1054934239.db2.gz QERFSQXQWMXYOA-RTWAWAEBSA-N 1 1 346.515 4.444 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001201847288 1054934267 /nfs/dbraw/zinc/93/42/67/1054934267.db2.gz UOLICHVUEHUHRB-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CCCCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001201847001 1054934582 /nfs/dbraw/zinc/93/45/82/1054934582.db2.gz QSIVTFXSRACVAO-LDLYASANSA-N 1 1 334.548 4.364 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001201874866 1054940975 /nfs/dbraw/zinc/94/09/75/1054940975.db2.gz JUIFSAWBRFAHPB-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001201874866 1054940989 /nfs/dbraw/zinc/94/09/89/1054940989.db2.gz JUIFSAWBRFAHPB-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876807524 1054957840 /nfs/dbraw/zinc/95/78/40/1054957840.db2.gz GCMPNQJGYGWEJS-APWZRJJASA-N 1 1 328.481 4.224 20 30 EIEDMO CCCC[N@H+](C)c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000876857798 1054974945 /nfs/dbraw/zinc/97/49/45/1054974945.db2.gz IOSBOPPFSKTSFU-QGZVFWFLSA-N 1 1 329.488 4.434 20 30 EIEDMO CCCC[N@@H+](C)c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000876857798 1054974955 /nfs/dbraw/zinc/97/49/55/1054974955.db2.gz IOSBOPPFSKTSFU-QGZVFWFLSA-N 1 1 329.488 4.434 20 30 EIEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000777220498 1054994032 /nfs/dbraw/zinc/99/40/32/1054994032.db2.gz IRBDDAOXDGJECA-IBGZPJMESA-N 1 1 342.487 4.074 20 30 EIEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877465787 1055056941 /nfs/dbraw/zinc/05/69/41/1055056941.db2.gz XDBUUMNMVKCALP-UHFFFAOYSA-N 1 1 339.748 4.224 20 30 EIEDMO Cc1c(Cl)cccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000877498042 1055065209 /nfs/dbraw/zinc/06/52/09/1055065209.db2.gz JEZAARGFZVCCBM-UHFFFAOYSA-N 1 1 325.843 4.101 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC000877608223 1055091718 /nfs/dbraw/zinc/09/17/18/1055091718.db2.gz RRNKGRFQLAPJOQ-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO C[C@H]1CC[N@@H+](CCOCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045550 1055113084 /nfs/dbraw/zinc/11/30/84/1055113084.db2.gz UVHSTENFIIFPDQ-XJKSGUPXSA-N 1 1 326.362 4.019 20 30 EIEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900903 1055147893 /nfs/dbraw/zinc/14/78/93/1055147893.db2.gz YCNLHFVYQNNYRQ-JOCHJYFZSA-N 1 1 334.463 4.339 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902893 1055149814 /nfs/dbraw/zinc/14/98/14/1055149814.db2.gz HVKCIQFAWDGFHB-XZOQPEGZSA-N 1 1 346.474 4.436 20 30 EIEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000126908052 1055188018 /nfs/dbraw/zinc/18/80/18/1055188018.db2.gz BSDYCCKEHNHDFM-IBGZPJMESA-N 1 1 334.419 4.032 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120780 1055192087 /nfs/dbraw/zinc/19/20/87/1055192087.db2.gz PGLSVHYKFCWZOH-AUSIDOKSSA-N 1 1 348.490 4.299 20 30 EIEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874926 1055196682 /nfs/dbraw/zinc/19/66/82/1055196682.db2.gz XGMXYSYCZMTBGH-CQSZACIVSA-N 1 1 329.469 4.094 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000126943695 1055197798 /nfs/dbraw/zinc/19/77/98/1055197798.db2.gz FYYAAJYORZLXTR-VQIMIIECSA-N 1 1 338.426 4.181 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000878166003 1055197855 /nfs/dbraw/zinc/19/78/55/1055197855.db2.gz JFYIFDAHMHSTAO-ZPMCFJSWSA-N 1 1 332.447 4.120 20 30 EIEDMO C#CCCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000878249998 1055220809 /nfs/dbraw/zinc/22/08/09/1055220809.db2.gz WOODZFZICQFTKK-MRXNPFEDSA-N 1 1 325.456 4.130 20 30 EIEDMO CCC[N@@H+](C)[C@@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553580081 1055557584 /nfs/dbraw/zinc/55/75/84/1055557584.db2.gz HOUNODQGGTZXCH-SFHVURJKSA-N 1 1 328.847 4.102 20 30 EIEDMO CCC[N@@H+](C)[C@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553580080 1055559194 /nfs/dbraw/zinc/55/91/94/1055559194.db2.gz HOUNODQGGTZXCH-GOSISDBHSA-N 1 1 328.847 4.102 20 30 EIEDMO CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccn1 ZINC000921682859 1055770988 /nfs/dbraw/zinc/77/09/88/1055770988.db2.gz DTKCVSQHUCHTEP-MRXNPFEDSA-N 1 1 344.256 4.347 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000301098918 1055895270 /nfs/dbraw/zinc/89/52/70/1055895270.db2.gz NMTUSVXPMJZSIU-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO N#Cc1cc(F)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(F)c1 ZINC000301109076 1055896966 /nfs/dbraw/zinc/89/69/66/1055896966.db2.gz MJUQKQUQIBSEKS-INIZCTEOSA-N 1 1 331.366 4.069 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1cccs1 ZINC000301399962 1055932182 /nfs/dbraw/zinc/93/21/82/1055932182.db2.gz BKDXCVPGLWLSCE-SJCJKPOMSA-N 1 1 346.887 4.163 20 30 EIEDMO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301749539 1055977855 /nfs/dbraw/zinc/97/78/55/1055977855.db2.gz ADQLIHUPVFYCBG-KBXCAEBGSA-N 1 1 349.400 4.030 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301811521 1055987602 /nfs/dbraw/zinc/98/76/02/1055987602.db2.gz HCOXOPSWHNCHPX-UHFFFAOYSA-N 1 1 336.483 4.055 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)C1 ZINC000302824345 1056077640 /nfs/dbraw/zinc/07/76/40/1056077640.db2.gz GGOKNEBQHHZJMX-QGZVFWFLSA-N 1 1 344.462 4.274 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057847829 1056382016 /nfs/dbraw/zinc/38/20/16/1056382016.db2.gz XVKLUGYLANMFCP-GFCCVEGCSA-N 1 1 329.271 4.069 20 30 EIEDMO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946940 1056834065 /nfs/dbraw/zinc/83/40/65/1056834065.db2.gz GJDMHGMPPDYVQR-GOSISDBHSA-N 1 1 333.479 4.362 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000741338828 1058196592 /nfs/dbraw/zinc/19/65/92/1058196592.db2.gz SUBSQWLPBZZTIC-UHFFFAOYSA-N 1 1 336.435 4.147 20 30 EIEDMO Cc1ccc(-c2ncc(C[NH2+]Cc3cc(C#N)ccc3F)s2)cc1 ZINC000742383434 1058587033 /nfs/dbraw/zinc/58/70/33/1058587033.db2.gz NALSGXCKYLIWGC-UHFFFAOYSA-N 1 1 337.423 4.419 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000742383822 1058587565 /nfs/dbraw/zinc/58/75/65/1058587565.db2.gz VEGHOEGGKDDQPM-UHFFFAOYSA-N 1 1 330.790 4.205 20 30 EIEDMO CCCCCCCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000742964096 1058822830 /nfs/dbraw/zinc/82/28/30/1058822830.db2.gz XHLJZPSGEYAULX-LJQANCHMSA-N 1 1 330.516 4.470 20 30 EIEDMO C[N@@H+](CCCCc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744139619 1059287295 /nfs/dbraw/zinc/28/72/95/1059287295.db2.gz GKFHBNVVYXBTBM-UHFFFAOYSA-N 1 1 344.462 4.334 20 30 EIEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)co2)cc1 ZINC000744447171 1059516147 /nfs/dbraw/zinc/51/61/47/1059516147.db2.gz JTSHOIMTVJNUFU-MRXNPFEDSA-N 1 1 347.418 4.231 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745707311 1059880477 /nfs/dbraw/zinc/88/04/77/1059880477.db2.gz ZLYAYXZHPUXNGX-BZSNNMDCSA-N 1 1 325.541 4.107 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000746033002 1059973850 /nfs/dbraw/zinc/97/38/50/1059973850.db2.gz IGQANEHGWGOZOU-UHFFFAOYSA-N 1 1 330.435 4.290 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000746033002 1059973874 /nfs/dbraw/zinc/97/38/74/1059973874.db2.gz IGQANEHGWGOZOU-UHFFFAOYSA-N 1 1 330.435 4.290 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4ncccc34)CC2)cc1 ZINC001168872903 1060497881 /nfs/dbraw/zinc/49/78/81/1060497881.db2.gz KRPBISQUMFWAOA-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO C#CC(C)(C)[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001169242904 1060719647 /nfs/dbraw/zinc/71/96/47/1060719647.db2.gz CYBHTWAHGHMHHI-UHFFFAOYSA-N 1 1 329.875 4.045 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1C ZINC001169285774 1060743072 /nfs/dbraw/zinc/74/30/72/1060743072.db2.gz XVFWPEGEAVKZJK-SUMWQHHRSA-N 1 1 333.863 4.051 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305443 1060764165 /nfs/dbraw/zinc/76/41/65/1060764165.db2.gz KNINRLINLITRGX-UHFFFAOYSA-N 1 1 348.446 4.158 20 30 EIEDMO CC(C)[Si](C#C[NH2+][C@@H]1C(=O)NCc2ccccc21)(C(C)C)C(C)C ZINC001169884970 1061006196 /nfs/dbraw/zinc/00/61/96/1061006196.db2.gz LXAIQNLWZZXDSU-IBGZPJMESA-N 1 1 342.559 4.126 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098068891 219077508 /nfs/dbraw/zinc/07/75/08/219077508.db2.gz ZOEVHEULWFTXGH-CHWSQXEVSA-N 1 1 345.512 4.068 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098068891 219077511 /nfs/dbraw/zinc/07/75/11/219077511.db2.gz ZOEVHEULWFTXGH-CHWSQXEVSA-N 1 1 345.512 4.068 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Cl)c(Br)c1)CC1CC1 ZINC000342723580 1026894002 /nfs/dbraw/zinc/89/40/02/1026894002.db2.gz CAFFCRGBQUCBBA-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Cl)c(Br)c1)CC1CC1 ZINC000342723580 1026894006 /nfs/dbraw/zinc/89/40/06/1026894006.db2.gz CAFFCRGBQUCBBA-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1OCCCC#N ZINC000245563645 1032316041 /nfs/dbraw/zinc/31/60/41/1032316041.db2.gz PVEDTNQLFQKBPR-QZTJIDSGSA-N 1 1 328.456 4.142 20 30 EIEDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)cc1C ZINC000532971163 1032419623 /nfs/dbraw/zinc/41/96/23/1032419623.db2.gz GVBVPHFEXPUWGO-UHFFFAOYSA-N 1 1 347.462 4.168 20 30 EIEDMO COc1cc(C[N@H+](CCC#N)CCC(C)C)ccc1OC(F)F ZINC000177031114 1032480778 /nfs/dbraw/zinc/48/07/78/1032480778.db2.gz KYNLTNMMXPBCTJ-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)ccc1OC(F)F ZINC000177031114 1032480780 /nfs/dbraw/zinc/48/07/80/1032480780.db2.gz KYNLTNMMXPBCTJ-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000177352349 1032503252 /nfs/dbraw/zinc/50/32/52/1032503252.db2.gz QZQCOBADRFEPRN-UHFFFAOYSA-N 1 1 335.291 4.331 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288564 1032601924 /nfs/dbraw/zinc/60/19/24/1032601924.db2.gz OPRQJBMBLRPQRY-SJORKVTESA-N 1 1 334.529 4.478 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)c1C ZINC000533292462 1032607824 /nfs/dbraw/zinc/60/78/24/1032607824.db2.gz LKNFETODXIKNIV-OAQYLSRUSA-N 1 1 347.462 4.341 20 30 EIEDMO N#CCSCCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533334465 1032662909 /nfs/dbraw/zinc/66/29/09/1032662909.db2.gz QSRPHKZQVJYSIV-AWEZNQCLSA-N 1 1 331.510 4.123 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000512411052 1032708603 /nfs/dbraw/zinc/70/86/03/1032708603.db2.gz WSUGTBATCRPUJF-LJQANCHMSA-N 1 1 349.858 4.191 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429577264 1032789220 /nfs/dbraw/zinc/78/92/20/1032789220.db2.gz FDHWYZSGPBMAIK-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064695 1019215170 /nfs/dbraw/zinc/21/51/70/1019215170.db2.gz XSHWWRGJUAXPFN-MOPGFXCFSA-N 1 1 326.827 4.082 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655054870 1019274886 /nfs/dbraw/zinc/27/48/86/1019274886.db2.gz FQZLMRGJARAJFN-FQEVSTJZSA-N 1 1 334.463 4.266 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430235373 1019548914 /nfs/dbraw/zinc/54/89/14/1019548914.db2.gz DELKUOPTASSFHK-XJKSGUPXSA-N 1 1 342.252 4.052 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001209432879 1020327174 /nfs/dbraw/zinc/32/71/74/1020327174.db2.gz LUVPWCRTUFSPQB-SFHVURJKSA-N 1 1 335.513 4.016 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001209439674 1020342630 /nfs/dbraw/zinc/34/26/30/1020342630.db2.gz VMTBJEOYSDSBFJ-NRFANRHFSA-N 1 1 341.499 4.037 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209442264 1020351519 /nfs/dbraw/zinc/35/15/19/1020351519.db2.gz DEYBFGFJQLPYDY-CABCVRRESA-N 1 1 325.390 4.240 20 30 EIEDMO C=CCCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209442264 1020351535 /nfs/dbraw/zinc/35/15/35/1020351535.db2.gz DEYBFGFJQLPYDY-CABCVRRESA-N 1 1 325.390 4.240 20 30 EIEDMO C=CCCCCCCC[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001209442171 1020351942 /nfs/dbraw/zinc/35/19/42/1020351942.db2.gz VJBCCGBKIUURIH-HXUWFJFHSA-N 1 1 345.531 4.268 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209444292 1020353964 /nfs/dbraw/zinc/35/39/64/1020353964.db2.gz OWIPWSKANGMFCV-WOJBJXKFSA-N 1 1 334.548 4.482 20 30 EIEDMO C#CC[N@H+](CCOc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC001167179246 1020488298 /nfs/dbraw/zinc/48/82/98/1020488298.db2.gz XEBOHVCCRFJPEM-IBGZPJMESA-N 1 1 343.829 4.481 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609593 1020705103 /nfs/dbraw/zinc/70/51/03/1020705103.db2.gz BCANKNIHVFTOEY-OALUTQOASA-N 1 1 348.531 4.147 20 30 EIEDMO C=CCCCN(CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890812822 1020789550 /nfs/dbraw/zinc/78/95/50/1020789550.db2.gz ONUONDURYQNIPO-GOSISDBHSA-N 1 1 343.515 4.308 20 30 EIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000177043167 1020950544 /nfs/dbraw/zinc/95/05/44/1020950544.db2.gz FJHQUAOQRUHPGV-HXUWFJFHSA-N 1 1 330.435 4.265 20 30 EIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000177043167 1020950549 /nfs/dbraw/zinc/95/05/49/1020950549.db2.gz FJHQUAOQRUHPGV-HXUWFJFHSA-N 1 1 330.435 4.265 20 30 EIEDMO O[C@@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837439 1021129939 /nfs/dbraw/zinc/12/99/39/1021129939.db2.gz QPJFKYLJZSSELL-ROUUACIJSA-N 1 1 345.895 4.341 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000180029575 1021378599 /nfs/dbraw/zinc/37/85/99/1021378599.db2.gz GQFSESSWIUHCSM-UHFFFAOYSA-N 1 1 328.419 4.113 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000180029575 1021378622 /nfs/dbraw/zinc/37/86/22/1021378622.db2.gz GQFSESSWIUHCSM-UHFFFAOYSA-N 1 1 328.419 4.113 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000340555775 1021389079 /nfs/dbraw/zinc/38/90/79/1021389079.db2.gz XNLNUYUCAGUHEJ-NRFANRHFSA-N 1 1 347.462 4.079 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1cccs1 ZINC000579367656 1021417816 /nfs/dbraw/zinc/41/78/16/1021417816.db2.gz QBSFVHGJDUOCMA-UHFFFAOYSA-N 1 1 335.270 4.407 20 30 EIEDMO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cc(C#N)cs3)cc2)C1 ZINC000177685235 1021440006 /nfs/dbraw/zinc/44/00/06/1021440006.db2.gz BGAREFYBNBSMHR-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cc(C#N)cs3)cc2)C1 ZINC000177685235 1021440017 /nfs/dbraw/zinc/44/00/17/1021440017.db2.gz BGAREFYBNBSMHR-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO C=C(C)C[N@H+](CCOc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC000512521684 1032985047 /nfs/dbraw/zinc/98/50/47/1032985047.db2.gz IKPIHYJWGGFIKW-UHFFFAOYSA-N 1 1 331.435 4.060 20 30 EIEDMO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613428938 1022007460 /nfs/dbraw/zinc/00/74/60/1022007460.db2.gz AUZGFQBSCSLLCB-WBVHZDCISA-N 1 1 340.515 4.316 20 30 EIEDMO C[C@H](O[NH+]=C(N)C1CCCCCC1)c1nnc(-c2ccccc2)o1 ZINC000179004690 1022227819 /nfs/dbraw/zinc/22/78/19/1022227819.db2.gz ZSCOPRBQNBENCU-ZDUSSCGKSA-N 1 1 328.416 4.057 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(-c2ccccc2)n1 ZINC000378344582 1022724614 /nfs/dbraw/zinc/72/46/14/1022724614.db2.gz AQWWPZPITDNTRE-GOSISDBHSA-N 1 1 346.434 4.046 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1Br)c1ccc(C#N)cc1 ZINC000156705052 1022728205 /nfs/dbraw/zinc/72/82/05/1022728205.db2.gz IDSODRBLVDGTSZ-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000340826337 1022732259 /nfs/dbraw/zinc/73/22/59/1022732259.db2.gz XUMZTRDWSGWQDO-HNNXBMFYSA-N 1 1 329.444 4.226 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000340826337 1022732268 /nfs/dbraw/zinc/73/22/68/1022732268.db2.gz XUMZTRDWSGWQDO-HNNXBMFYSA-N 1 1 329.444 4.226 20 30 EIEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000056491368 1022833207 /nfs/dbraw/zinc/83/32/07/1022833207.db2.gz DDEHSEDOBREXNB-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000648381285 1022841425 /nfs/dbraw/zinc/84/14/25/1022841425.db2.gz KSSHZEWNRVHIDK-PHIMTYICSA-N 1 1 329.259 4.307 20 30 EIEDMO Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000648381285 1022841430 /nfs/dbraw/zinc/84/14/30/1022841430.db2.gz KSSHZEWNRVHIDK-PHIMTYICSA-N 1 1 329.259 4.307 20 30 EIEDMO COc1ccc([C@H](CCC#N)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000581230535 1022891378 /nfs/dbraw/zinc/89/13/78/1022891378.db2.gz BRRHRXOYFWERQV-PXNSSMCTSA-N 1 1 343.515 4.140 20 30 EIEDMO COc1ccc([C@H](CCC#N)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC000581230535 1022891379 /nfs/dbraw/zinc/89/13/79/1022891379.db2.gz BRRHRXOYFWERQV-PXNSSMCTSA-N 1 1 343.515 4.140 20 30 EIEDMO Cn1cc(C[N@@H+]2CC[C@H]2c2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000376534715 1022914393 /nfs/dbraw/zinc/91/43/93/1022914393.db2.gz HYCWLAHURSIWAF-FQEVSTJZSA-N 1 1 346.409 4.045 20 30 EIEDMO Cn1cc(C[N@H+]2CC[C@H]2c2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000376534715 1022914420 /nfs/dbraw/zinc/91/44/20/1022914420.db2.gz HYCWLAHURSIWAF-FQEVSTJZSA-N 1 1 346.409 4.045 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156979995 1022921838 /nfs/dbraw/zinc/92/18/38/1022921838.db2.gz RFTVCYXMHBKKLV-XMSQKQJNSA-N 1 1 333.479 4.043 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 ZINC000255295200 1023049269 /nfs/dbraw/zinc/04/92/69/1023049269.db2.gz SSCBKBUFHIYDKX-WDZFZDKYSA-N 1 1 342.398 4.396 20 30 EIEDMO N#Cc1cc2ccccc2nc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311363332 1023129151 /nfs/dbraw/zinc/12/91/51/1023129151.db2.gz IHXVWWQYUQOVGC-GOSISDBHSA-N 1 1 342.446 4.040 20 30 EIEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c1 ZINC000187412765 1023195350 /nfs/dbraw/zinc/19/53/50/1023195350.db2.gz DHXQPJABSIHPHV-LBPRGKRZSA-N 1 1 327.815 4.021 20 30 EIEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000380370855 1023317032 /nfs/dbraw/zinc/31/70/32/1023317032.db2.gz MIQLEECHGSNJIC-CYBMUJFWSA-N 1 1 329.241 4.480 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376957035 1023342297 /nfs/dbraw/zinc/34/22/97/1023342297.db2.gz UVTIQAWOVSZEIF-YXJHDRRASA-N 1 1 334.891 4.051 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC001203156126 1023397686 /nfs/dbraw/zinc/39/76/86/1023397686.db2.gz QGSLMTGDHKUBQJ-UHFFFAOYSA-N 1 1 339.395 4.418 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911112 1023414856 /nfs/dbraw/zinc/41/48/56/1023414856.db2.gz FDAGEZYTDIAHIR-FGSXEWAUSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911112 1023414862 /nfs/dbraw/zinc/41/48/62/1023414862.db2.gz FDAGEZYTDIAHIR-FGSXEWAUSA-N 1 1 333.479 4.262 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000480742695 1023425640 /nfs/dbraw/zinc/42/56/40/1023425640.db2.gz RYLCCUCDOQTGSK-HXUWFJFHSA-N 1 1 340.854 4.084 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000480742695 1023425650 /nfs/dbraw/zinc/42/56/50/1023425650.db2.gz RYLCCUCDOQTGSK-HXUWFJFHSA-N 1 1 340.854 4.084 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000625702740 1023532073 /nfs/dbraw/zinc/53/20/73/1023532073.db2.gz IPJPKALSKZGFRL-AWEZNQCLSA-N 1 1 344.480 4.225 20 30 EIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000500186256 1023574858 /nfs/dbraw/zinc/57/48/58/1023574858.db2.gz QBDQYOJGHBMNLK-RBUKOAKNSA-N 1 1 349.906 4.023 20 30 EIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000500186256 1023574861 /nfs/dbraw/zinc/57/48/61/1023574861.db2.gz QBDQYOJGHBMNLK-RBUKOAKNSA-N 1 1 349.906 4.023 20 30 EIEDMO C[C@]1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCOc2ccccc21 ZINC000933369722 1023592402 /nfs/dbraw/zinc/59/24/02/1023592402.db2.gz OZFBJBPMCQIFTH-IBGZPJMESA-N 1 1 342.826 4.030 20 30 EIEDMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015026064 1023623768 /nfs/dbraw/zinc/62/37/68/1023623768.db2.gz QWGOMVWPTFSTAC-GFCCVEGCSA-N 1 1 347.871 4.041 20 30 EIEDMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015026064 1023623777 /nfs/dbraw/zinc/62/37/77/1023623777.db2.gz QWGOMVWPTFSTAC-GFCCVEGCSA-N 1 1 347.871 4.041 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nnc(-c3cccc(F)c3)s2)cc1 ZINC000377643791 1023649904 /nfs/dbraw/zinc/64/99/04/1023649904.db2.gz GSLUKNZECKYOTI-CYBMUJFWSA-N 1 1 337.423 4.176 20 30 EIEDMO C=CCOc1ccccc1CNC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390603287 1023713870 /nfs/dbraw/zinc/71/38/70/1023713870.db2.gz ZKQZOQMUTBRMQT-NRFANRHFSA-N 1 1 336.479 4.006 20 30 EIEDMO C=CCOc1ccccc1CNC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390603287 1023713876 /nfs/dbraw/zinc/71/38/76/1023713876.db2.gz ZKQZOQMUTBRMQT-NRFANRHFSA-N 1 1 336.479 4.006 20 30 EIEDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000341485414 1023808839 /nfs/dbraw/zinc/80/88/39/1023808839.db2.gz PDORTXAZMDCBOP-QGZVFWFLSA-N 1 1 336.435 4.152 20 30 EIEDMO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc(C#N)n1 ZINC000341532508 1023834572 /nfs/dbraw/zinc/83/45/72/1023834572.db2.gz ORPNWLRABPHSSJ-MRXNPFEDSA-N 1 1 334.467 4.106 20 30 EIEDMO Cc1nsc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000341549339 1023863916 /nfs/dbraw/zinc/86/39/16/1023863916.db2.gz OWIAWBQJRUSIAW-AWEZNQCLSA-N 1 1 340.496 4.310 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511769124 1023875841 /nfs/dbraw/zinc/87/58/41/1023875841.db2.gz MMCOUKROULFSBA-PKOBYXMFSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000093863710 1023901625 /nfs/dbraw/zinc/90/16/25/1023901625.db2.gz CEXFNHAGEXKIOX-QGZVFWFLSA-N 1 1 345.874 4.148 20 30 EIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000544147752 1024016839 /nfs/dbraw/zinc/01/68/39/1024016839.db2.gz YZSYLUSKIDUDDP-OAQYLSRUSA-N 1 1 344.462 4.459 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000341679913 1024303390 /nfs/dbraw/zinc/30/33/90/1024303390.db2.gz CKIGSMXSEACVAW-HXUWFJFHSA-N 1 1 329.403 4.380 20 30 EIEDMO C[C@H](c1ccccn1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702022 1024345803 /nfs/dbraw/zinc/34/58/03/1024345803.db2.gz GMFYVILYQYMIJV-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@H](c1ccccn1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702022 1024345820 /nfs/dbraw/zinc/34/58/20/1024345820.db2.gz GMFYVILYQYMIJV-CQSZACIVSA-N 1 1 334.341 4.025 20 30 EIEDMO C=CC[NH+]1CCC(N[C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740663 1024381562 /nfs/dbraw/zinc/38/15/62/1024381562.db2.gz VVGCLPQNMJNTDL-QFIPXVFZSA-N 1 1 338.470 4.464 20 30 EIEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n2)ccc1F ZINC000893979422 1033218908 /nfs/dbraw/zinc/21/89/08/1033218908.db2.gz KBZZQOKMYKOZIL-OLZOCXBDSA-N 1 1 330.407 4.163 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000093872248 1024897384 /nfs/dbraw/zinc/89/73/84/1024897384.db2.gz UFJKFSQHTCOGCP-ZWKOTPCHSA-N 1 1 348.475 4.410 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000093872248 1024897386 /nfs/dbraw/zinc/89/73/86/1024897386.db2.gz UFJKFSQHTCOGCP-ZWKOTPCHSA-N 1 1 348.475 4.410 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CCCCC1 ZINC000063558982 1025098987 /nfs/dbraw/zinc/09/89/87/1025098987.db2.gz DOCAJXCUXOBAOF-UHFFFAOYSA-N 1 1 327.472 4.179 20 30 EIEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126244195 1025181516 /nfs/dbraw/zinc/18/15/16/1025181516.db2.gz UDIYHASCPUKXGM-NSHGMRRFSA-N 1 1 328.500 4.100 20 30 EIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610995071 1025242501 /nfs/dbraw/zinc/24/25/01/1025242501.db2.gz YRSLPLUFBCBVEC-UHFFFAOYSA-N 1 1 328.419 4.032 20 30 EIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610995071 1025242515 /nfs/dbraw/zinc/24/25/15/1025242515.db2.gz YRSLPLUFBCBVEC-UHFFFAOYSA-N 1 1 328.419 4.032 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000426573517 1025636377 /nfs/dbraw/zinc/63/63/77/1025636377.db2.gz MXRSHLWRVIWQCM-AWEZNQCLSA-N 1 1 329.362 4.177 20 30 EIEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000299353798 1025772783 /nfs/dbraw/zinc/77/27/83/1025772783.db2.gz BYTGOCLLFHIEJU-UHFFFAOYSA-N 1 1 331.822 4.119 20 30 EIEDMO C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000548615844 1025803271 /nfs/dbraw/zinc/80/32/71/1025803271.db2.gz PAQUBDHQKBQIJG-NHCUHLMSSA-N 1 1 334.463 4.039 20 30 EIEDMO C=CCC[C@@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000548615844 1025803277 /nfs/dbraw/zinc/80/32/77/1025803277.db2.gz PAQUBDHQKBQIJG-NHCUHLMSSA-N 1 1 334.463 4.039 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)c(C#N)c1C ZINC000585754596 1025823734 /nfs/dbraw/zinc/82/37/34/1025823734.db2.gz RMYQTXWDXDXCBB-UHFFFAOYSA-N 1 1 341.480 4.042 20 30 EIEDMO Cn1c2ccc(Cl)cc2nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330360923 1025841706 /nfs/dbraw/zinc/84/17/06/1025841706.db2.gz XSDHPCBOAYMHAX-CYBMUJFWSA-N 1 1 334.851 4.079 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(C)C ZINC000519507902 1025859128 /nfs/dbraw/zinc/85/91/28/1025859128.db2.gz QCTYWPCILQULGH-UHFFFAOYSA-N 1 1 336.479 4.479 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(C)C ZINC000519507902 1025859130 /nfs/dbraw/zinc/85/91/30/1025859130.db2.gz QCTYWPCILQULGH-UHFFFAOYSA-N 1 1 336.479 4.479 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC)cc1C ZINC000512065834 1025871464 /nfs/dbraw/zinc/87/14/64/1025871464.db2.gz ARFAMSDVDMUZJO-UHFFFAOYSA-N 1 1 336.435 4.072 20 30 EIEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCC(C)(C)C#N ZINC001167513900 1025871843 /nfs/dbraw/zinc/87/18/43/1025871843.db2.gz ZABCMWDPFZEOMJ-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000105498961 1025881878 /nfs/dbraw/zinc/88/18/78/1025881878.db2.gz SFLOYBGZIKCHIN-UHFFFAOYSA-N 1 1 342.512 4.080 20 30 EIEDMO Cc1cc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc(C#N)n1 ZINC000342345495 1025906533 /nfs/dbraw/zinc/90/65/33/1025906533.db2.gz HAGORHHOYZMFGT-UHFFFAOYSA-N 1 1 346.434 4.099 20 30 EIEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC(C)(C)CC2)cc1 ZINC001167529940 1025953748 /nfs/dbraw/zinc/95/37/48/1025953748.db2.gz WVCHAIQHVQNCTE-GOSISDBHSA-N 1 1 341.499 4.142 20 30 EIEDMO C=CCOc1ccccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971562 1026090089 /nfs/dbraw/zinc/09/00/89/1026090089.db2.gz YNTVUSALWAILRE-VOBGVNJCSA-N 1 1 340.511 4.307 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)o1 ZINC000551226882 1026093801 /nfs/dbraw/zinc/09/38/01/1026093801.db2.gz BYHWFQIHKTZUEV-UHFFFAOYSA-N 1 1 329.812 4.218 20 30 EIEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000111218312 1026102185 /nfs/dbraw/zinc/10/21/85/1026102185.db2.gz DEMHMVOLWJHBAK-KRWDZBQOSA-N 1 1 345.368 4.263 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCCOC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119853332 1026200566 /nfs/dbraw/zinc/20/05/66/1026200566.db2.gz YXYNMDWLGMPQDW-KRWDZBQOSA-N 1 1 338.451 4.167 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008920 1026204294 /nfs/dbraw/zinc/20/42/94/1026204294.db2.gz SNFPSJODCDEPMQ-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008920 1026204310 /nfs/dbraw/zinc/20/43/10/1026204310.db2.gz SNFPSJODCDEPMQ-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224428 1026354624 /nfs/dbraw/zinc/35/46/24/1026354624.db2.gz DMNMXCMEYHBCFF-WBVHZDCISA-N 1 1 330.453 4.081 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000532013949 1026409043 /nfs/dbraw/zinc/40/90/43/1026409043.db2.gz RKZLBLBCKVJUJC-JOCHJYFZSA-N 1 1 334.463 4.235 20 30 EIEDMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000342482684 1026423483 /nfs/dbraw/zinc/42/34/83/1026423483.db2.gz QSRVVPOJHIAGDI-FQEVSTJZSA-N 1 1 336.435 4.039 20 30 EIEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167562431 1026429826 /nfs/dbraw/zinc/42/98/26/1026429826.db2.gz LAUAXJBHINZNSR-OAHLLOKOSA-N 1 1 349.906 4.263 20 30 EIEDMO C=CC[C@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000342507321 1026492767 /nfs/dbraw/zinc/49/27/67/1026492767.db2.gz ZIAUTJUHOQGSTG-LBPRGKRZSA-N 1 1 330.501 4.280 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570557 /nfs/dbraw/zinc/57/05/57/1026570557.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244664 1026570565 /nfs/dbraw/zinc/57/05/65/1026570565.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244664 1026570568 /nfs/dbraw/zinc/57/05/68/1026570568.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 1 1 345.490 4.217 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000096971458 1026580401 /nfs/dbraw/zinc/58/04/01/1026580401.db2.gz WXQNXXOZESDYCV-UHFFFAOYSA-N 1 1 341.480 4.087 20 30 EIEDMO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2ccc(C#N)cc2F)c(C)c1 ZINC000344852792 1026643316 /nfs/dbraw/zinc/64/33/16/1026643316.db2.gz WLCOFVZPUQEMHR-OAQYLSRUSA-N 1 1 348.425 4.042 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)c(C#N)c1C ZINC000427003007 1026675430 /nfs/dbraw/zinc/67/54/30/1026675430.db2.gz YZTLOAIIRUGVBE-UHFFFAOYSA-N 1 1 345.512 4.220 20 30 EIEDMO CCCOc1c(C[N@H+](C)Cc2cccc(C#N)c2)cccc1OCC ZINC000507207563 1026693077 /nfs/dbraw/zinc/69/30/77/1026693077.db2.gz DRAUJHYNPRIUFU-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO CCCOc1c(C[N@@H+](C)Cc2cccc(C#N)c2)cccc1OCC ZINC000507207563 1026693081 /nfs/dbraw/zinc/69/30/81/1026693081.db2.gz DRAUJHYNPRIUFU-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)CCC1 ZINC001167984705 1026700957 /nfs/dbraw/zinc/70/09/57/1026700957.db2.gz WGSSWJGDQJFSTR-LJQANCHMSA-N 1 1 330.447 4.015 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@](C)(CC)c2nccs2)cc1OC ZINC000152606636 1026717142 /nfs/dbraw/zinc/71/71/42/1026717142.db2.gz OZYSMJYRXRDVFX-SFHVURJKSA-N 1 1 332.469 4.132 20 30 EIEDMO C=CCCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000279865176 1026739985 /nfs/dbraw/zinc/73/99/85/1026739985.db2.gz FCGMBTWVZSIQDA-UHFFFAOYSA-N 1 1 326.444 4.143 20 30 EIEDMO C=CCC[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427230409 1026787403 /nfs/dbraw/zinc/78/74/03/1026787403.db2.gz FGQWXLKJEKDFPL-UXHICEINSA-N 1 1 328.500 4.069 20 30 EIEDMO C=CCC[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000427448499 1026853910 /nfs/dbraw/zinc/85/39/10/1026853910.db2.gz ISVLPFUJAFRYCT-NRFANRHFSA-N 1 1 340.511 4.213 20 30 EIEDMO COc1ncc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000342696412 1026855531 /nfs/dbraw/zinc/85/55/31/1026855531.db2.gz IUFAPVNRPZIGAS-DYVFJYSZSA-N 1 1 329.831 4.439 20 30 EIEDMO COc1ncc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000342696416 1026857139 /nfs/dbraw/zinc/85/71/39/1026857139.db2.gz IUFAPVNRPZIGAS-SUMWQHHRSA-N 1 1 329.831 4.439 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000507668396 1026865265 /nfs/dbraw/zinc/86/52/65/1026865265.db2.gz IGQIGMVTRPNSQU-NRFANRHFSA-N 1 1 334.463 4.434 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1Br ZINC000151375490 1026869274 /nfs/dbraw/zinc/86/92/74/1026869274.db2.gz WPNRYTKAJRACGJ-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO CCCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(OCCC)c1 ZINC000507692144 1026874988 /nfs/dbraw/zinc/87/49/88/1026874988.db2.gz AISMRVPIFIHRTC-UHFFFAOYSA-N 1 1 330.472 4.390 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000153011024 1026937475 /nfs/dbraw/zinc/93/74/75/1026937475.db2.gz SYNKZYWOXNAXEW-IBGZPJMESA-N 1 1 326.484 4.063 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000582689353 1026940332 /nfs/dbraw/zinc/94/03/32/1026940332.db2.gz NNULAOWCBHUQTP-OAQYLSRUSA-N 1 1 344.462 4.367 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000582689353 1026940342 /nfs/dbraw/zinc/94/03/42/1026940342.db2.gz NNULAOWCBHUQTP-OAQYLSRUSA-N 1 1 344.462 4.367 20 30 EIEDMO C=C(C)COc1cc(CNCCC[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000060927216 1026977264 /nfs/dbraw/zinc/97/72/64/1026977264.db2.gz JHISUTLWNXRXDS-SFHVURJKSA-N 1 1 346.515 4.004 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000342806762 1027073521 /nfs/dbraw/zinc/07/35/21/1027073521.db2.gz AXPGEEMRCHCAQE-FQEVSTJZSA-N 1 1 330.435 4.034 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c(Cl)c1 ZINC000384310107 1027111362 /nfs/dbraw/zinc/11/13/62/1027111362.db2.gz KDKMSVPOHAWNFM-SFHVURJKSA-N 1 1 340.854 4.250 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000342814040 1027125045 /nfs/dbraw/zinc/12/50/45/1027125045.db2.gz URVZWDJSXRLVFR-OAQYLSRUSA-N 1 1 330.435 4.044 20 30 EIEDMO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745624 1027221934 /nfs/dbraw/zinc/22/19/34/1027221934.db2.gz RRWSUBDIQYAGIS-VGSWGCGISA-N 1 1 333.479 4.360 20 30 EIEDMO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745624 1027221948 /nfs/dbraw/zinc/22/19/48/1027221948.db2.gz RRWSUBDIQYAGIS-VGSWGCGISA-N 1 1 333.479 4.360 20 30 EIEDMO C[N@@H+](CC1(c2ccc(Br)cc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000429692284 1027549005 /nfs/dbraw/zinc/54/90/05/1027549005.db2.gz RWGQOVVWKYUYNT-CZUORRHYSA-N 1 1 333.273 4.105 20 30 EIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3o2)C1 ZINC000329147206 1027607910 /nfs/dbraw/zinc/60/79/10/1027607910.db2.gz XQKUGDZYMLOOSA-OAHLLOKOSA-N 1 1 343.471 4.227 20 30 EIEDMO Cc1ccc2ncc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)n2c1 ZINC000507742791 1027637814 /nfs/dbraw/zinc/63/78/14/1027637814.db2.gz WLSRXXYBQKLPER-UHFFFAOYSA-N 1 1 332.451 4.173 20 30 EIEDMO C[N@@H+](CCc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141903034 1027670461 /nfs/dbraw/zinc/67/04/61/1027670461.db2.gz NQFDFCSTYOSIEZ-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000329258571 1027674166 /nfs/dbraw/zinc/67/41/66/1027674166.db2.gz AILBLVLZBRSSSL-CVEARBPZSA-N 1 1 347.484 4.060 20 30 EIEDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000329258571 1027674175 /nfs/dbraw/zinc/67/41/75/1027674175.db2.gz AILBLVLZBRSSSL-CVEARBPZSA-N 1 1 347.484 4.060 20 30 EIEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000582933257 1027714848 /nfs/dbraw/zinc/71/48/48/1027714848.db2.gz APNZGOGEBBOVFP-HNNXBMFYSA-N 1 1 335.879 4.097 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC001168074707 1027734758 /nfs/dbraw/zinc/73/47/58/1027734758.db2.gz WZSDVOYBRKCKOZ-QGZVFWFLSA-N 1 1 335.451 4.106 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000474893389 1027749480 /nfs/dbraw/zinc/74/94/80/1027749480.db2.gz CSJMGDMMUDZNLZ-GOSISDBHSA-N 1 1 340.511 4.281 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000474893390 1027749974 /nfs/dbraw/zinc/74/99/74/1027749974.db2.gz CSJMGDMMUDZNLZ-SFHVURJKSA-N 1 1 340.511 4.281 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000329387869 1027759589 /nfs/dbraw/zinc/75/95/89/1027759589.db2.gz RDFWNEQRLNRJCR-BHYGNILZSA-N 1 1 332.492 4.413 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000474901995 1027768089 /nfs/dbraw/zinc/76/80/89/1027768089.db2.gz WSSGRKZLPQPWKW-GOSISDBHSA-N 1 1 340.511 4.424 20 30 EIEDMO CC(=O)NC1(c2noc([C@@H](C)[NH+]3CCCCCC3)n2)CCCCC1 ZINC000328612536 1027781855 /nfs/dbraw/zinc/78/18/55/1027781855.db2.gz PNZWIKQPHFEQNJ-CQSZACIVSA-N 1 1 334.464 4.142 20 30 EIEDMO CCOc1cc2c(cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC000328753402 1027804757 /nfs/dbraw/zinc/80/47/57/1027804757.db2.gz DGQIZKMAJZAKKY-GJZGRUSLSA-N 1 1 346.471 4.261 20 30 EIEDMO CCc1nn(C)c(CC)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507747039 1027824813 /nfs/dbraw/zinc/82/48/13/1027824813.db2.gz HXHWAXBRMUFVIR-UHFFFAOYSA-N 1 1 338.499 4.075 20 30 EIEDMO CCN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000583003242 1027829801 /nfs/dbraw/zinc/82/98/01/1027829801.db2.gz CSOTYGXFZSZIRC-LJQANCHMSA-N 1 1 332.451 4.378 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccccc2F)no1 ZINC000444596183 1027881892 /nfs/dbraw/zinc/88/18/92/1027881892.db2.gz XQIGQLKPNXVAGB-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccccc2F)no1 ZINC000444596183 1027881895 /nfs/dbraw/zinc/88/18/95/1027881895.db2.gz XQIGQLKPNXVAGB-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000444652147 1027924188 /nfs/dbraw/zinc/92/41/88/1027924188.db2.gz WRCBGBAXFYXUOV-MSOLQXFVSA-N 1 1 334.504 4.150 20 30 EIEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676281 1027955217 /nfs/dbraw/zinc/95/52/17/1027955217.db2.gz NPLJJJVZRJACSA-GUYCJALGSA-N 1 1 333.863 4.051 20 30 EIEDMO CO[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1C ZINC000444677133 1027956181 /nfs/dbraw/zinc/95/61/81/1027956181.db2.gz VTCVTLBVKSOGQP-DENIHFKCSA-N 1 1 348.490 4.243 20 30 EIEDMO N#Cc1ccc(N2CC[NH+](CCCCC(F)(F)F)CC2)c(Cl)c1 ZINC000444785726 1028073673 /nfs/dbraw/zinc/07/36/73/1028073673.db2.gz RJYADJQNYBPEPN-UHFFFAOYSA-N 1 1 345.796 4.066 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000444787992 1028077279 /nfs/dbraw/zinc/07/72/79/1028077279.db2.gz ZKNQMMCFSSVYCR-MRXNPFEDSA-N 1 1 342.405 4.003 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cc(C)ncn2)C(C)(C)C)cc1 ZINC000428377853 1028096268 /nfs/dbraw/zinc/09/62/68/1028096268.db2.gz YGSDKPWWYFEWES-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO O=C(Nc1csc(-c2ccccn2)n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329754787 1028112557 /nfs/dbraw/zinc/11/25/57/1028112557.db2.gz LAEHIGINGOZJOR-HNNXBMFYSA-N 1 1 342.468 4.200 20 30 EIEDMO O=C(C[N@@H+]1CCC12CCC2)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330062125 1028193328 /nfs/dbraw/zinc/19/33/28/1028193328.db2.gz OXOJUHWXOKVDAU-UHFFFAOYSA-N 1 1 342.439 4.335 20 30 EIEDMO O=C(C[N@H+]1CCC12CCC2)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330062125 1028193336 /nfs/dbraw/zinc/19/33/36/1028193336.db2.gz OXOJUHWXOKVDAU-UHFFFAOYSA-N 1 1 342.439 4.335 20 30 EIEDMO C=CCOc1cccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000523527255 1028194930 /nfs/dbraw/zinc/19/49/30/1028194930.db2.gz AZZONMIUXFZIOC-GOSISDBHSA-N 1 1 338.495 4.470 20 30 EIEDMO COc1cc(C[N@@H+](CC#Cc2cccc(Cl)c2)C2CC2)ccc1O ZINC000536375028 1028205747 /nfs/dbraw/zinc/20/57/47/1028205747.db2.gz YFOOQVGIUQBGMH-UHFFFAOYSA-N 1 1 341.838 4.070 20 30 EIEDMO CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)sc2c1 ZINC000330243362 1028238946 /nfs/dbraw/zinc/23/89/46/1028238946.db2.gz WRSGBMCOKDGMKJ-CQSZACIVSA-N 1 1 344.440 4.119 20 30 EIEDMO CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)sc2c1 ZINC000330243362 1028238961 /nfs/dbraw/zinc/23/89/61/1028238961.db2.gz WRSGBMCOKDGMKJ-CQSZACIVSA-N 1 1 344.440 4.119 20 30 EIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC=CCC1 ZINC000346322187 1028373673 /nfs/dbraw/zinc/37/36/73/1028373673.db2.gz HUQJONAIWQHISR-GOSISDBHSA-N 1 1 334.467 4.252 20 30 EIEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000330350265 1028642491 /nfs/dbraw/zinc/64/24/91/1028642491.db2.gz KWEWSUDERGENPU-KBXCAEBGSA-N 1 1 340.471 4.378 20 30 EIEDMO N#CC1(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CCC1 ZINC000583434279 1028731646 /nfs/dbraw/zinc/73/16/46/1028731646.db2.gz ISKDHJQJJYKFDF-UHFFFAOYSA-N 1 1 334.467 4.449 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000157011118 1028892121 /nfs/dbraw/zinc/89/21/21/1028892121.db2.gz CXLZJIOYZNMLGL-LAUBAEHRSA-N 1 1 335.451 4.490 20 30 EIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000444245718 1029111014 /nfs/dbraw/zinc/11/10/14/1029111014.db2.gz SXALTXXARFRHBM-HXUWFJFHSA-N 1 1 349.478 4.148 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000448135479 1029218783 /nfs/dbraw/zinc/21/87/83/1029218783.db2.gz USCILZMAPCGBTB-KRWDZBQOSA-N 1 1 348.899 4.219 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(C#N)ccc1F ZINC000101558962 1029219301 /nfs/dbraw/zinc/21/93/01/1029219301.db2.gz BYMSYSKUDXNQDK-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056987 1029324379 /nfs/dbraw/zinc/32/43/79/1029324379.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168056987 1029324466 /nfs/dbraw/zinc/32/44/66/1029324466.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168056987 1029324484 /nfs/dbraw/zinc/32/44/84/1029324484.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO CC[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000343491777 1029359263 /nfs/dbraw/zinc/35/92/63/1029359263.db2.gz CBKZUQUGBZWSEX-DLBZAZTESA-N 1 1 332.806 4.125 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441091710 1029565595 /nfs/dbraw/zinc/56/55/95/1029565595.db2.gz NMDSWKLMSXZMOY-QFBILLFUSA-N 1 1 347.462 4.011 20 30 EIEDMO CC1(c2nc3ccccc3s2)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000367137414 1029622301 /nfs/dbraw/zinc/62/23/01/1029622301.db2.gz IFIUKZOVXSASEY-OAHLLOKOSA-N 1 1 338.480 4.093 20 30 EIEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000584136892 1029641806 /nfs/dbraw/zinc/64/18/06/1029641806.db2.gz VBLMGWGQTXQWCN-KPZWWZAWSA-N 1 1 332.806 4.389 20 30 EIEDMO C[C@H]1CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)N1Cc1ccccc1 ZINC001168065493 1029649655 /nfs/dbraw/zinc/64/96/55/1029649655.db2.gz WVKCOWHLGPHQAB-JZTRKIHISA-N 1 1 337.511 4.195 20 30 EIEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000575376631 1029649875 /nfs/dbraw/zinc/64/98/75/1029649875.db2.gz ZHLFUFWYJOVXOB-UHFFFAOYSA-N 1 1 347.384 4.427 20 30 EIEDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(OCCCC#N)c1 ZINC000447073861 1029687813 /nfs/dbraw/zinc/68/78/13/1029687813.db2.gz ZUNMOBOFKXHTAF-UHFFFAOYSA-N 1 1 340.471 4.022 20 30 EIEDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(OCCCC#N)c1 ZINC000447073861 1029687819 /nfs/dbraw/zinc/68/78/19/1029687819.db2.gz ZUNMOBOFKXHTAF-UHFFFAOYSA-N 1 1 340.471 4.022 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000343734537 1029728051 /nfs/dbraw/zinc/72/80/51/1029728051.db2.gz KPVULBZPASNXKU-CVEARBPZSA-N 1 1 340.471 4.286 20 30 EIEDMO CC(C)[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000053064940 1029863824 /nfs/dbraw/zinc/86/38/24/1029863824.db2.gz YJQRPPUSCLXQBB-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000053064940 1029863827 /nfs/dbraw/zinc/86/38/27/1029863827.db2.gz YJQRPPUSCLXQBB-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000450755048 1029972131 /nfs/dbraw/zinc/97/21/31/1029972131.db2.gz DPWGVOOBDHCFCU-AWEZNQCLSA-N 1 1 325.225 4.323 20 30 EIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000525784082 1030017268 /nfs/dbraw/zinc/01/72/68/1030017268.db2.gz YUOZVIJPSBIEIM-NRFANRHFSA-N 1 1 344.462 4.214 20 30 EIEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OCc1ccccc1 ZINC000184097760 1030050534 /nfs/dbraw/zinc/05/05/34/1030050534.db2.gz PQNUCMPUMRWGLX-IBGZPJMESA-N 1 1 338.451 4.446 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2noc(-c3cncc(C)c3)n2)CCCC1(C)C ZINC000450869356 1030060190 /nfs/dbraw/zinc/06/01/90/1030060190.db2.gz OACLGCONNLOYPC-INIZCTEOSA-N 1 1 326.444 4.007 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2noc(-c3cncc(C)c3)n2)CCCC1(C)C ZINC000450869356 1030060207 /nfs/dbraw/zinc/06/02/07/1030060207.db2.gz OACLGCONNLOYPC-INIZCTEOSA-N 1 1 326.444 4.007 20 30 EIEDMO CN(CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000546629241 1030062199 /nfs/dbraw/zinc/06/21/99/1030062199.db2.gz OTNMWQHDJKNPIN-QZTJIDSGSA-N 1 1 332.536 4.041 20 30 EIEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367383038 1030099760 /nfs/dbraw/zinc/09/97/60/1030099760.db2.gz AZGQXSDKDFYXOF-YLJYHZDGSA-N 1 1 346.902 4.033 20 30 EIEDMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958354 1030134974 /nfs/dbraw/zinc/13/49/74/1030134974.db2.gz MYYGVAFEHCPPSO-OTWHNJEPSA-N 1 1 332.875 4.117 20 30 EIEDMO C=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544153 1030147495 /nfs/dbraw/zinc/14/74/95/1030147495.db2.gz NVRYMVHNZXHPOQ-WBDAEOGXSA-N 1 1 332.491 4.485 20 30 EIEDMO C=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544153 1030147510 /nfs/dbraw/zinc/14/75/10/1030147510.db2.gz NVRYMVHNZXHPOQ-WBDAEOGXSA-N 1 1 332.491 4.485 20 30 EIEDMO C=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000447544153 1030147525 /nfs/dbraw/zinc/14/75/25/1030147525.db2.gz NVRYMVHNZXHPOQ-WBDAEOGXSA-N 1 1 332.491 4.485 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450980478 1030158683 /nfs/dbraw/zinc/15/86/83/1030158683.db2.gz FCYANIBEJWOJRG-NQIIRXRSSA-N 1 1 341.499 4.007 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 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ZINC000610451557 1030815416 /nfs/dbraw/zinc/81/54/16/1030815416.db2.gz UOURPGWVSKMFKN-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451557 1030815421 /nfs/dbraw/zinc/81/54/21/1030815421.db2.gz UOURPGWVSKMFKN-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451557 1030815425 /nfs/dbraw/zinc/81/54/25/1030815425.db2.gz UOURPGWVSKMFKN-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000103469732 1030890893 /nfs/dbraw/zinc/89/08/93/1030890893.db2.gz VFQNMDRYRWLTQT-NRFANRHFSA-N 1 1 345.446 4.039 20 30 EIEDMO C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001168194008 1031032477 /nfs/dbraw/zinc/03/24/77/1031032477.db2.gz XFDJFFGAPFLYRB-VQTJNVASSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168194008 1031032494 /nfs/dbraw/zinc/03/24/94/1031032494.db2.gz XFDJFFGAPFLYRB-VQTJNVASSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168194008 1031032512 /nfs/dbraw/zinc/03/25/12/1031032512.db2.gz XFDJFFGAPFLYRB-VQTJNVASSA-N 1 1 339.527 4.445 20 30 EIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532572080 1031305420 /nfs/dbraw/zinc/30/54/20/1031305420.db2.gz AWFYFOXEAJIJAF-CQSZACIVSA-N 1 1 345.512 4.114 20 30 EIEDMO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000167238032 1031355609 /nfs/dbraw/zinc/35/56/09/1031355609.db2.gz ZNBWXYGZYAEAHX-FZKQIMNGSA-N 1 1 349.400 4.030 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2C(F)(F)F)C2CC2)cc1 ZINC000528360082 1031435458 /nfs/dbraw/zinc/43/54/58/1031435458.db2.gz MHQCDRDOHHEMHG-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccnc2C(F)(F)F)C2CC2)cc1 ZINC000528360082 1031435464 /nfs/dbraw/zinc/43/54/64/1031435464.db2.gz MHQCDRDOHHEMHG-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000365247238 1031577812 /nfs/dbraw/zinc/57/78/12/1031577812.db2.gz ZXHWKLSEOORMMV-NHCUHLMSSA-N 1 1 348.425 4.261 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000449468052 1031765076 /nfs/dbraw/zinc/76/50/76/1031765076.db2.gz KFNHYPXNVVHKSY-KBAYOESNSA-N 1 1 335.875 4.030 20 30 EIEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528774041 1031845107 /nfs/dbraw/zinc/84/51/07/1031845107.db2.gz KPECHGHEFOTQIR-LJQANCHMSA-N 1 1 344.474 4.494 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000130762498 1031846562 /nfs/dbraw/zinc/84/65/62/1031846562.db2.gz SOOOBJPLSRCOKL-UHFFFAOYSA-N 1 1 349.478 4.081 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)c(F)c1 ZINC000453340508 1031866094 /nfs/dbraw/zinc/86/60/94/1031866094.db2.gz LEHLREDIXOBFFS-BJOHPYRUSA-N 1 1 334.316 4.453 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327820 1031928087 /nfs/dbraw/zinc/92/80/87/1031928087.db2.gz ZRUGPWTXVRMNTE-INIZCTEOSA-N 1 1 335.451 4.141 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327820 1031928099 /nfs/dbraw/zinc/92/80/99/1031928099.db2.gz ZRUGPWTXVRMNTE-INIZCTEOSA-N 1 1 335.451 4.141 20 30 EIEDMO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000429364093 1031943261 /nfs/dbraw/zinc/94/32/61/1031943261.db2.gz LKWMWQKJVCCBDM-BLLLJJGKSA-N 1 1 346.272 4.106 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C[C@@H](C)C#N ZINC000509770929 1033397979 /nfs/dbraw/zinc/39/79/79/1033397979.db2.gz CFVCRJOEKRVAHW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C[C@@H](C)C#N ZINC000509770929 1033397994 /nfs/dbraw/zinc/39/79/94/1033397994.db2.gz CFVCRJOEKRVAHW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000663875694 1033476284 /nfs/dbraw/zinc/47/62/84/1033476284.db2.gz YIWFBRRKXMESSH-MRXNPFEDSA-N 1 1 349.544 4.004 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000614168821 1033556811 /nfs/dbraw/zinc/55/68/11/1033556811.db2.gz WGQRZGBFDLBTCH-FQEVSTJZSA-N 1 1 326.484 4.411 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000614169842 1033560277 /nfs/dbraw/zinc/56/02/77/1033560277.db2.gz XAGIGKFSTPMPPW-JOCHJYFZSA-N 1 1 348.490 4.360 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000614171320 1033581828 /nfs/dbraw/zinc/58/18/28/1033581828.db2.gz KDJNJJPHUDGQEF-GOSISDBHSA-N 1 1 326.465 4.123 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000614171320 1033581839 /nfs/dbraw/zinc/58/18/39/1033581839.db2.gz KDJNJJPHUDGQEF-GOSISDBHSA-N 1 1 326.465 4.123 20 30 EIEDMO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512647856 1033605770 /nfs/dbraw/zinc/60/57/70/1033605770.db2.gz KAPAIKHSPQRVBW-MRXNPFEDSA-N 1 1 339.458 4.390 20 30 EIEDMO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(C#N)cc1F ZINC000512654137 1033625774 /nfs/dbraw/zinc/62/57/74/1033625774.db2.gz JLNMSQCIGKTTTQ-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccccc1 ZINC000433020432 1033666830 /nfs/dbraw/zinc/66/68/30/1033666830.db2.gz RWSQDPOVQBPMOW-OAHLLOKOSA-N 1 1 338.436 4.323 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000433028321 1033688918 /nfs/dbraw/zinc/68/89/18/1033688918.db2.gz BVDZQRHDCOVFMR-MRXNPFEDSA-N 1 1 338.436 4.323 20 30 EIEDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433030426 1033696833 /nfs/dbraw/zinc/69/68/33/1033696833.db2.gz FMWFVCSPVOBXNM-YOEHRIQHSA-N 1 1 329.469 4.375 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(-c2cccs2)no1 ZINC000411492209 1033933413 /nfs/dbraw/zinc/93/34/13/1033933413.db2.gz WRGGDLZZSTYUJW-CYBMUJFWSA-N 1 1 329.425 4.183 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(-c2cccs2)no1 ZINC000411492209 1033933421 /nfs/dbraw/zinc/93/34/21/1033933421.db2.gz WRGGDLZZSTYUJW-CYBMUJFWSA-N 1 1 329.425 4.183 20 30 EIEDMO CC(C)C1CCC([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000433158312 1033955885 /nfs/dbraw/zinc/95/58/85/1033955885.db2.gz JKVCJRGSIUXLKU-UHFFFAOYSA-N 1 1 333.501 4.095 20 30 EIEDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)nc1C ZINC000411535282 1033967749 /nfs/dbraw/zinc/96/77/49/1033967749.db2.gz FUGILZVSVHUHSM-AWEZNQCLSA-N 1 1 349.500 4.143 20 30 EIEDMO N#CCCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000576155708 1034106519 /nfs/dbraw/zinc/10/65/19/1034106519.db2.gz ATDVRYWNPNSUKF-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)s1 ZINC000433285279 1034188608 /nfs/dbraw/zinc/18/86/08/1034188608.db2.gz HLOSOXSKBDCGMP-UHFFFAOYSA-N 1 1 331.872 4.356 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419319701 1034252468 /nfs/dbraw/zinc/25/24/68/1034252468.db2.gz CYPRVXTWKBXKAB-IRXDYDNUSA-N 1 1 338.455 4.255 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000614403361 1034550953 /nfs/dbraw/zinc/55/09/53/1034550953.db2.gz UQEVNUQFJGOHOQ-KRWDZBQOSA-N 1 1 326.827 4.173 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000513381493 1034898667 /nfs/dbraw/zinc/89/86/67/1034898667.db2.gz RMBJBEUBRSDBPC-UHFFFAOYSA-N 1 1 338.476 4.499 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1)C(C)C ZINC000434032373 1035070114 /nfs/dbraw/zinc/07/01/14/1035070114.db2.gz RICZWWJTMJPCDX-LJQANCHMSA-N 1 1 341.499 4.071 20 30 EIEDMO C[C@@]1(O)CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000280094695 1035153670 /nfs/dbraw/zinc/15/36/70/1035153670.db2.gz OPYLFBAHGFWXIU-JOCHJYFZSA-N 1 1 348.490 4.123 20 30 EIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000501261262 1035407575 /nfs/dbraw/zinc/40/75/75/1035407575.db2.gz ZGWPCQUVHLSKOA-FQEVSTJZSA-N 1 1 336.435 4.303 20 30 EIEDMO C=CC1CCN(c2cc(C)nc([C@H](C)[NH+]3CCC(C=C)CC3)n2)CC1 ZINC000501536053 1035461634 /nfs/dbraw/zinc/46/16/34/1035461634.db2.gz XYIZCIHQDZHPKM-KRWDZBQOSA-N 1 1 340.515 4.146 20 30 EIEDMO 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Cc1oc(NC(=O)C[N@H+](Cc2ccsc2)C(C)(C)C)c(C#N)c1C ZINC000595602105 1035745104 /nfs/dbraw/zinc/74/51/04/1035745104.db2.gz SWIPLWHQPFEZOX-UHFFFAOYSA-N 1 1 345.468 4.069 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccsc2)C(C)(C)C)c(C#N)c1C ZINC000595602105 1035745130 /nfs/dbraw/zinc/74/51/30/1035745130.db2.gz SWIPLWHQPFEZOX-UHFFFAOYSA-N 1 1 345.468 4.069 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609079 1035753097 /nfs/dbraw/zinc/75/30/97/1035753097.db2.gz FSPSNOPLQGINOJ-YESZJQIVSA-N 1 1 327.472 4.153 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609079 1035753124 /nfs/dbraw/zinc/75/31/24/1035753124.db2.gz FSPSNOPLQGINOJ-YESZJQIVSA-N 1 1 327.472 4.153 20 30 EIEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1F ZINC000595694981 1035767216 /nfs/dbraw/zinc/76/72/16/1035767216.db2.gz XLVJXFIXDFTOHV-SFHVURJKSA-N 1 1 327.359 4.092 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711450 1035771673 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COc1cc(Cl)cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1O ZINC000761191043 1035998057 /nfs/dbraw/zinc/99/80/57/1035998057.db2.gz IIDINXFIVIQXFA-UHFFFAOYSA-N 1 1 344.842 4.336 20 30 EIEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977652 1036064076 /nfs/dbraw/zinc/06/40/76/1036064076.db2.gz NFHKUAHHHFOTIE-UHFFFAOYSA-N 1 1 342.389 4.475 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000597011859 1036070090 /nfs/dbraw/zinc/07/00/90/1036070090.db2.gz GHJORUXPFBHDEI-XUVXKRRUSA-N 1 1 338.495 4.267 20 30 EIEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000502312824 1036090705 /nfs/dbraw/zinc/09/07/05/1036090705.db2.gz MEJRFMZAORAZKR-KRWDZBQOSA-N 1 1 340.442 4.033 20 30 EIEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000502312824 1036090726 /nfs/dbraw/zinc/09/07/26/1036090726.db2.gz MEJRFMZAORAZKR-KRWDZBQOSA-N 1 1 340.442 4.033 20 30 EIEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000502312825 1036092240 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C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCCC#N)cc2)C1 ZINC000588156519 1036231675 /nfs/dbraw/zinc/23/16/75/1036231675.db2.gz YVVKISXLHLVWNT-KRWDZBQOSA-N 1 1 327.472 4.331 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1Cl ZINC000597613833 1036301469 /nfs/dbraw/zinc/30/14/69/1036301469.db2.gz IJMCIPNLGGGYBV-UHFFFAOYSA-N 1 1 333.863 4.204 20 30 EIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000421357599 1036332619 /nfs/dbraw/zinc/33/26/19/1036332619.db2.gz PJPURBUWHPXDPI-GOSISDBHSA-N 1 1 326.419 4.155 20 30 EIEDMO CCOc1cc(C[N@@H+](C)C[C@@H](C)CCC#N)ccc1OC(F)F ZINC000602438777 1036448513 /nfs/dbraw/zinc/44/85/13/1036448513.db2.gz AEBSDUYIVVEDAH-ZDUSSCGKSA-N 1 1 326.387 4.058 20 30 EIEDMO CC(C)Oc1ccc(C[NH2+]Cc2cccc(C#N)n2)c(C(F)(F)F)c1 ZINC000602528511 1036494383 /nfs/dbraw/zinc/49/43/83/1036494383.db2.gz NJWFHDWBSZEECM-UHFFFAOYSA-N 1 1 349.356 4.049 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000602733979 1036601777 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CCCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ncsc2C1 ZINC000592527472 1037825156 /nfs/dbraw/zinc/82/51/56/1037825156.db2.gz AKURSXSSQWQFOX-ZDUSSCGKSA-N 1 1 331.510 4.236 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894885 /nfs/dbraw/zinc/89/48/85/1037894885.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 1 1 325.500 4.206 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000593034148 1037902469 /nfs/dbraw/zinc/90/24/69/1037902469.db2.gz DNANKMUXZNKZDX-HXUWFJFHSA-N 1 1 345.402 4.360 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000593034148 1037902493 /nfs/dbraw/zinc/90/24/93/1037902493.db2.gz DNANKMUXZNKZDX-HXUWFJFHSA-N 1 1 345.402 4.360 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000593079234 1037979979 /nfs/dbraw/zinc/97/99/79/1037979979.db2.gz BQLFMZBAUFZIEJ-IBGZPJMESA-N 1 1 344.474 4.323 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000489430506 1038045046 /nfs/dbraw/zinc/04/50/46/1038045046.db2.gz PHPLXDHYAAVUHL-QGZVFWFLSA-N 1 1 341.455 4.456 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000489430506 1038045067 /nfs/dbraw/zinc/04/50/67/1038045067.db2.gz PHPLXDHYAAVUHL-QGZVFWFLSA-N 1 1 341.455 4.456 20 30 EIEDMO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(-c2cc3ccccc3o2)n1 ZINC000593650010 1038120939 /nfs/dbraw/zinc/12/09/39/1038120939.db2.gz PIQALWKFQYCLQO-UHFFFAOYSA-N 1 1 334.423 4.007 20 30 EIEDMO C=CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000489684616 1038191385 /nfs/dbraw/zinc/19/13/85/1038191385.db2.gz KMJFNVVIUJYRKF-HKBOAZHASA-N 1 1 340.511 4.210 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Cl ZINC000008173180 1038268326 /nfs/dbraw/zinc/26/83/26/1038268326.db2.gz FCDBQQKHDSQXMV-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526640 1038288514 /nfs/dbraw/zinc/28/85/14/1038288514.db2.gz WGHGNVGXBDDRBJ-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526640 1038288532 /nfs/dbraw/zinc/28/85/32/1038288532.db2.gz WGHGNVGXBDDRBJ-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504269443 1038306079 /nfs/dbraw/zinc/30/60/79/1038306079.db2.gz ACZLOEBVLMRJNA-QGZVFWFLSA-N 1 1 334.463 4.191 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504269443 1038306094 /nfs/dbraw/zinc/30/60/94/1038306094.db2.gz ACZLOEBVLMRJNA-QGZVFWFLSA-N 1 1 334.463 4.191 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490058784 1038328835 /nfs/dbraw/zinc/32/88/35/1038328835.db2.gz SWFVNEKFZWCIAJ-KRWDZBQOSA-N 1 1 335.451 4.106 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000594571172 1038376020 /nfs/dbraw/zinc/37/60/20/1038376020.db2.gz QOMZCTYTHYNJSC-CYBMUJFWSA-N 1 1 347.434 4.441 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000594608662 1038379287 /nfs/dbraw/zinc/37/92/87/1038379287.db2.gz YBDAUPRMNFSUFQ-UHFFFAOYSA-N 1 1 333.229 4.321 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(C(F)(F)F)c1 ZINC000594610792 1038383462 /nfs/dbraw/zinc/38/34/62/1038383462.db2.gz CQTCTYZGJTWSEZ-INIZCTEOSA-N 1 1 338.373 4.111 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(C(F)(F)F)c1 ZINC000594610792 1038383479 /nfs/dbraw/zinc/38/34/79/1038383479.db2.gz CQTCTYZGJTWSEZ-INIZCTEOSA-N 1 1 338.373 4.111 20 30 EIEDMO CCCCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000063495643 1038394437 /nfs/dbraw/zinc/39/44/37/1038394437.db2.gz PISIFMVZWAFJJH-UHFFFAOYSA-N 1 1 347.528 4.338 20 30 EIEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001168423602 1038395425 /nfs/dbraw/zinc/39/54/25/1038395425.db2.gz NEDANHPOEPYOKN-OAHLLOKOSA-N 1 1 337.250 4.319 20 30 EIEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001168423602 1038395444 /nfs/dbraw/zinc/39/54/44/1038395444.db2.gz NEDANHPOEPYOKN-OAHLLOKOSA-N 1 1 337.250 4.319 20 30 EIEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3C(F)(F)F)c2C[C@@H]1C ZINC000594900227 1038413459 /nfs/dbraw/zinc/41/34/59/1038413459.db2.gz RGADHASPUMYUSC-NEPJUHHUSA-N 1 1 333.357 4.193 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC(=O)NCCCCC#N)C1CCCCC1 ZINC000171360308 1038794472 /nfs/dbraw/zinc/79/44/72/1038794472.db2.gz JYAKGGBNCVAQGE-UHFFFAOYSA-N 1 1 342.487 4.266 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000063750313 1038813219 /nfs/dbraw/zinc/81/32/19/1038813219.db2.gz GMFFYRRWLFBNHL-UHFFFAOYSA-N 1 1 330.435 4.155 20 30 EIEDMO C=C(CC)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000539114339 1038844892 /nfs/dbraw/zinc/84/48/92/1038844892.db2.gz BJPMOQSKKTWTEX-UHFFFAOYSA-N 1 1 328.378 4.321 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000462020513 1038873832 /nfs/dbraw/zinc/87/38/32/1038873832.db2.gz NCFJZPFQHNOQIV-OAHLLOKOSA-N 1 1 333.435 4.026 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000462020513 1038873834 /nfs/dbraw/zinc/87/38/34/1038873834.db2.gz NCFJZPFQHNOQIV-OAHLLOKOSA-N 1 1 333.435 4.026 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000505022280 1038892404 /nfs/dbraw/zinc/89/24/04/1038892404.db2.gz CEYYVXDQSULGEF-UHFFFAOYSA-N 1 1 341.499 4.287 20 30 EIEDMO CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619937 1038956842 /nfs/dbraw/zinc/95/68/42/1038956842.db2.gz NJZVXIIREPACDR-WIYYLYMNSA-N 1 1 344.462 4.222 20 30 EIEDMO CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000537619935 1038957882 /nfs/dbraw/zinc/95/78/82/1038957882.db2.gz NJZVXIIREPACDR-NQIIRXRSSA-N 1 1 344.462 4.222 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000608977654 1038986890 /nfs/dbraw/zinc/98/68/90/1038986890.db2.gz XFFOZBDVOBWHAJ-HKUYNNGSSA-N 1 1 347.462 4.155 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000539389808 1039046295 /nfs/dbraw/zinc/04/62/95/1039046295.db2.gz CJHHEWOFNFEAKH-RTBURBONSA-N 1 1 343.515 4.037 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000481167505 1039065477 /nfs/dbraw/zinc/06/54/77/1039065477.db2.gz GWRYBUPWFGTZSJ-AWEZNQCLSA-N 1 1 345.899 4.152 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000090665447 1039267177 /nfs/dbraw/zinc/26/71/77/1039267177.db2.gz SSNNGTBONAVQLL-NYVOZVTQSA-N 1 1 333.479 4.457 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000090665447 1039267205 /nfs/dbraw/zinc/26/72/05/1039267205.db2.gz SSNNGTBONAVQLL-NYVOZVTQSA-N 1 1 333.479 4.457 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632668 1039274975 /nfs/dbraw/zinc/27/49/75/1039274975.db2.gz JSBMGIMEGFJXGV-LEWJYISDSA-N 1 1 344.462 4.283 20 30 EIEDMO COc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1OCCCC#N ZINC000600216062 1039389859 /nfs/dbraw/zinc/38/98/59/1039389859.db2.gz ROWKBLBWMRKCMA-UHFFFAOYSA-N 1 1 328.456 4.144 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000555679291 1039521417 /nfs/dbraw/zinc/52/14/17/1039521417.db2.gz PANGZVXCFFWDRJ-GDBMZVCRSA-N 1 1 333.501 4.239 20 30 EIEDMO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc(F)c1F ZINC001143609890 1039545212 /nfs/dbraw/zinc/54/52/12/1039545212.db2.gz NDAFNYSHKGNYDY-KRWDZBQOSA-N 1 1 342.389 4.188 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc(F)c1F ZINC001143609890 1039545239 /nfs/dbraw/zinc/54/52/39/1039545239.db2.gz NDAFNYSHKGNYDY-KRWDZBQOSA-N 1 1 342.389 4.188 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC1CC1 ZINC000093091303 1039628503 /nfs/dbraw/zinc/62/85/03/1039628503.db2.gz MOAZRTHDMKKPDZ-UHFFFAOYSA-N 1 1 348.372 4.017 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC1CC1 ZINC000093091303 1039628524 /nfs/dbraw/zinc/62/85/24/1039628524.db2.gz MOAZRTHDMKKPDZ-UHFFFAOYSA-N 1 1 348.372 4.017 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425092351 1039629280 /nfs/dbraw/zinc/62/92/80/1039629280.db2.gz ZUYOICUGCSEACH-UHFFFAOYSA-N 1 1 333.501 4.007 20 30 EIEDMO C=CCc1cc(C[N@@H+](CCc2nccs2)C(C)C)cc(OC)c1O ZINC000093764176 1039742774 /nfs/dbraw/zinc/74/27/74/1039742774.db2.gz KJLXJQIDCHJTIN-UHFFFAOYSA-N 1 1 346.496 4.039 20 30 EIEDMO C=CCC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105379 1040069967 /nfs/dbraw/zinc/06/99/67/1040069967.db2.gz KMAYEHGUWGIYRP-AZUAARDMSA-N 1 1 341.499 4.010 20 30 EIEDMO C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399546 1040196782 /nfs/dbraw/zinc/19/67/82/1040196782.db2.gz WIMNMJTWEILWNT-FHWLQOOXSA-N 1 1 347.506 4.365 20 30 EIEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780824 1040198051 /nfs/dbraw/zinc/19/80/51/1040198051.db2.gz CZSUWDXXQTWVCX-ZWKOTPCHSA-N 1 1 341.842 4.211 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000482453656 1040263309 /nfs/dbraw/zinc/26/33/09/1040263309.db2.gz CNESJIWXDCHAHP-CQSZACIVSA-N 1 1 349.400 4.369 20 30 EIEDMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC#N)cc1C ZINC000346739995 1040272368 /nfs/dbraw/zinc/27/23/68/1040272368.db2.gz MANSQCLMHOUYSN-UHFFFAOYSA-N 1 1 344.462 4.219 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000425366170 1040342579 /nfs/dbraw/zinc/34/25/79/1040342579.db2.gz OMCGKSATOHOHDC-UONOGXRCSA-N 1 1 325.481 4.333 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000425366170 1040342595 /nfs/dbraw/zinc/34/25/95/1040342595.db2.gz OMCGKSATOHOHDC-UONOGXRCSA-N 1 1 325.481 4.333 20 30 EIEDMO C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560337 1040410873 /nfs/dbraw/zinc/41/08/73/1040410873.db2.gz RMQXTCDVSJCXCW-NQIIRXRSSA-N 1 1 345.490 4.048 20 30 EIEDMO C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560337 1040410879 /nfs/dbraw/zinc/41/08/79/1040410879.db2.gz RMQXTCDVSJCXCW-NQIIRXRSSA-N 1 1 345.490 4.048 20 30 EIEDMO CC#CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000462310649 1040463679 /nfs/dbraw/zinc/46/36/79/1040463679.db2.gz AHUATWVTENYUIV-UHFFFAOYSA-N 1 1 333.435 4.102 20 30 EIEDMO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386257569 1040521957 /nfs/dbraw/zinc/52/19/57/1040521957.db2.gz FATQSCYVTVQLSN-WMLDXEAASA-N 1 1 341.405 4.159 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553864835 1040595373 /nfs/dbraw/zinc/59/53/73/1040595373.db2.gz ALZQDTIUHRFQQV-GHTZIAJQSA-N 1 1 340.511 4.069 20 30 EIEDMO C=CCC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428792133 1040631815 /nfs/dbraw/zinc/63/18/15/1040631815.db2.gz VMGKGQPSEFABCJ-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=CCCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428792133 1040631823 /nfs/dbraw/zinc/63/18/23/1040631823.db2.gz VMGKGQPSEFABCJ-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=CCCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428792133 1040631834 /nfs/dbraw/zinc/63/18/34/1040631834.db2.gz VMGKGQPSEFABCJ-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO CC1(C)C[C@@H]([N@@H+](CCCSCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000539767086 1040767070 /nfs/dbraw/zinc/76/70/70/1040767070.db2.gz WUWAUCNIYYTRHD-GOSISDBHSA-N 1 1 346.540 4.482 20 30 EIEDMO Cn1cc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)cc1C#N ZINC000483258312 1040793633 /nfs/dbraw/zinc/79/36/33/1040793633.db2.gz AYKKXKSRPQOWOL-JOCHJYFZSA-N 1 1 327.431 4.044 20 30 EIEDMO Cn1cc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1C#N ZINC000483255997 1040794317 /nfs/dbraw/zinc/79/43/17/1040794317.db2.gz CHRBDEVLVRXENG-UHFFFAOYSA-N 1 1 327.431 4.339 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509324 1040815773 /nfs/dbraw/zinc/81/57/73/1040815773.db2.gz VYWJSVBFLODUHK-IBGZPJMESA-N 1 1 333.410 4.157 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000462696557 1040846485 /nfs/dbraw/zinc/84/64/85/1040846485.db2.gz UETXETJBKXBKSJ-CYBMUJFWSA-N 1 1 331.872 4.156 20 30 EIEDMO Cc1ccc(C[NH2+][C@H](C)c2nc(Br)ccc2F)cc1C#N ZINC000926960155 1040867667 /nfs/dbraw/zinc/86/76/67/1040867667.db2.gz FEXRDSRXLNHHOK-LLVKDONJSA-N 1 1 348.219 4.014 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c(F)c1 ZINC000483637026 1040938295 /nfs/dbraw/zinc/93/82/95/1040938295.db2.gz XZEIQNMVCLINQC-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c(F)c1 ZINC000483637026 1040938311 /nfs/dbraw/zinc/93/83/11/1040938311.db2.gz XZEIQNMVCLINQC-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO C[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300386 1041069871 /nfs/dbraw/zinc/06/98/71/1041069871.db2.gz LZRSZJUMPFHNLU-CRAIPNDOSA-N 1 1 329.463 4.145 20 30 EIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000462919750 1041087722 /nfs/dbraw/zinc/08/77/22/1041087722.db2.gz MQRVGMBPSVBCOQ-CQSZACIVSA-N 1 1 343.833 4.234 20 30 EIEDMO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530385 1041169112 /nfs/dbraw/zinc/16/91/12/1041169112.db2.gz FDDPHERIPSRUCQ-AWEZNQCLSA-N 1 1 336.414 4.260 20 30 EIEDMO CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530385 1041169124 /nfs/dbraw/zinc/16/91/24/1041169124.db2.gz FDDPHERIPSRUCQ-AWEZNQCLSA-N 1 1 336.414 4.260 20 30 EIEDMO C[C@@H]1C[C@H](CCNc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000436399878 1041204077 /nfs/dbraw/zinc/20/40/77/1041204077.db2.gz JWWGSDVLKMJJFA-MJGOQNOKSA-N 1 1 344.462 4.143 20 30 EIEDMO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535259 1041209030 /nfs/dbraw/zinc/20/90/30/1041209030.db2.gz NDKHTOGUMQABBY-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535259 1041209046 /nfs/dbraw/zinc/20/90/46/1041209046.db2.gz NDKHTOGUMQABBY-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000425539284 1041226187 /nfs/dbraw/zinc/22/61/87/1041226187.db2.gz TYBYTAWYIHBVPY-MRXNPFEDSA-N 1 1 346.434 4.234 20 30 EIEDMO CC(C)(C#N)CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000538464834 1041369948 /nfs/dbraw/zinc/36/99/48/1041369948.db2.gz LSDIOSZVCZOAMD-UHFFFAOYSA-N 1 1 327.291 4.415 20 30 EIEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1F ZINC000540333856 1041377217 /nfs/dbraw/zinc/37/72/17/1041377217.db2.gz QXPATLZDCTUFIZ-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1F ZINC000540333856 1041377224 /nfs/dbraw/zinc/37/72/24/1041377224.db2.gz QXPATLZDCTUFIZ-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000480564779 1041396662 /nfs/dbraw/zinc/39/66/62/1041396662.db2.gz RYEURBYQDDSFAY-FQEVSTJZSA-N 1 1 340.854 4.084 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206674 1041420677 /nfs/dbraw/zinc/42/06/77/1041420677.db2.gz YVEOEJVGIYGSMS-UDDICAGYSA-N 1 1 346.902 4.363 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000480599003 1041420846 /nfs/dbraw/zinc/42/08/46/1041420846.db2.gz CMSKNQKKQGOEKH-FQEVSTJZSA-N 1 1 340.854 4.045 20 30 EIEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001270130087 1041490755 /nfs/dbraw/zinc/49/07/55/1041490755.db2.gz AIWBIVLLISUIFU-IEBWSBKVSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C2CCC2)cc1OC ZINC000538735937 1041507119 /nfs/dbraw/zinc/50/71/19/1041507119.db2.gz OARBMKVTDZBZDC-UHFFFAOYSA-N 1 1 340.261 4.007 20 30 EIEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957153 1041590019 /nfs/dbraw/zinc/59/00/19/1041590019.db2.gz OXGMZCUZKRQOQO-ZIAGYGMSSA-N 1 1 345.512 4.090 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000506012595 1041728759 /nfs/dbraw/zinc/72/87/59/1041728759.db2.gz PIGJBNGXKSYRTJ-UHFFFAOYSA-N 1 1 339.464 4.335 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000516900110 1041807001 /nfs/dbraw/zinc/80/70/01/1041807001.db2.gz XWCXCKAFQJTVES-UWJYYQICSA-N 1 1 347.462 4.012 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000516900109 1041807034 /nfs/dbraw/zinc/80/70/34/1041807034.db2.gz XWCXCKAFQJTVES-UTKZUKDTSA-N 1 1 347.462 4.012 20 30 EIEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@@H]21 ZINC000541112092 1041819603 /nfs/dbraw/zinc/81/96/03/1041819603.db2.gz LMYCDFXGHKSGBB-MBOZVWFJSA-N 1 1 349.478 4.248 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282753 1041882413 /nfs/dbraw/zinc/88/24/13/1041882413.db2.gz TUMQPWHMGOVRFR-HXUWFJFHSA-N 1 1 336.435 4.107 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000438109720 1042053009 /nfs/dbraw/zinc/05/30/09/1042053009.db2.gz LSSOYXNPUUOGLA-UHFFFAOYSA-N 1 1 346.459 4.299 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700916 1042077162 /nfs/dbraw/zinc/07/71/62/1042077162.db2.gz GWZPBSAZWKIKSP-RTBURBONSA-N 1 1 342.389 4.189 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464757640 1042151896 /nfs/dbraw/zinc/15/18/96/1042151896.db2.gz NRGGSOGCMMMAFM-INIZCTEOSA-N 1 1 326.440 4.312 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464764970 1042154497 /nfs/dbraw/zinc/15/44/97/1042154497.db2.gz JDABBUNVXZANTK-QGZVFWFLSA-N 1 1 339.483 4.322 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464765366 1042154865 /nfs/dbraw/zinc/15/48/65/1042154865.db2.gz LKWDZLWADDBQFH-KRWDZBQOSA-N 1 1 338.476 4.051 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464838460 1042182550 /nfs/dbraw/zinc/18/25/50/1042182550.db2.gz ZVOMXVISLVJYBK-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464838460 1042182553 /nfs/dbraw/zinc/18/25/53/1042182553.db2.gz ZVOMXVISLVJYBK-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464838460 1042182558 /nfs/dbraw/zinc/18/25/58/1042182558.db2.gz ZVOMXVISLVJYBK-MOPGFXCFSA-N 1 1 333.479 4.216 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000542199726 1042330685 /nfs/dbraw/zinc/33/06/85/1042330685.db2.gz CEYZIXXYQZOTQN-UHFFFAOYSA-N 1 1 341.252 4.073 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000542199726 1042330694 /nfs/dbraw/zinc/33/06/94/1042330694.db2.gz CEYZIXXYQZOTQN-UHFFFAOYSA-N 1 1 341.252 4.073 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000426139291 1042336949 /nfs/dbraw/zinc/33/69/49/1042336949.db2.gz VDURYLRYRPFTTN-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO CC[N@@H+](CCCCC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000542209460 1042346783 /nfs/dbraw/zinc/34/67/83/1042346783.db2.gz PXCVRUSVOBNLLL-MRXNPFEDSA-N 1 1 330.472 4.453 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1Cl ZINC000518208024 1042411792 /nfs/dbraw/zinc/41/17/92/1042411792.db2.gz NMIZZWBHIRQZAR-IBGZPJMESA-N 1 1 337.891 4.135 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000491343055 1042415423 /nfs/dbraw/zinc/41/54/23/1042415423.db2.gz MOEUZOVSXNUMIZ-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000491343055 1042415425 /nfs/dbraw/zinc/41/54/25/1042415425.db2.gz MOEUZOVSXNUMIZ-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3sccc3Br)CC2)c1 ZINC000271855617 1042460825 /nfs/dbraw/zinc/46/08/25/1042460825.db2.gz YGUVBPQFXSQIDM-UHFFFAOYSA-N 1 1 333.254 4.161 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2F)cc(OC)c1O ZINC000506552656 1042592681 /nfs/dbraw/zinc/59/26/81/1042592681.db2.gz MHPBSWZNOTZYFE-AWEZNQCLSA-N 1 1 329.415 4.461 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](Cc2cccs2)C(C)C)c(C#N)c1C ZINC000426369681 1042609370 /nfs/dbraw/zinc/60/93/70/1042609370.db2.gz IFUAXZRIHFVUEA-UHFFFAOYSA-N 1 1 347.509 4.147 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](Cc2cccs2)C(C)C)c(C#N)c1C ZINC000426369681 1042609376 /nfs/dbraw/zinc/60/93/76/1042609376.db2.gz IFUAXZRIHFVUEA-UHFFFAOYSA-N 1 1 347.509 4.147 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1cccc2[nH]ccc21 ZINC000426371937 1042610639 /nfs/dbraw/zinc/61/06/39/1042610639.db2.gz NHRCIOBYVLWIFI-UHFFFAOYSA-N 1 1 333.435 4.482 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430979 1042622333 /nfs/dbraw/zinc/62/23/33/1042622333.db2.gz OCZKBCZJFYSOQQ-DAYGRLMNSA-N 1 1 331.891 4.049 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439435536 1042623484 /nfs/dbraw/zinc/62/34/84/1042623484.db2.gz FMDPYYQPBYARPI-HXUWFJFHSA-N 1 1 338.838 4.233 20 30 EIEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000439443465 1042628337 /nfs/dbraw/zinc/62/83/37/1042628337.db2.gz WCIQKKKWJIZSLI-GFCCVEGCSA-N 1 1 330.815 4.080 20 30 EIEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000439444430 1042628427 /nfs/dbraw/zinc/62/84/27/1042628427.db2.gz VLQJKMGYMRGHKI-GFCCVEGCSA-N 1 1 329.787 4.279 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(Br)c1 ZINC000048609593 1042640130 /nfs/dbraw/zinc/64/01/30/1042640130.db2.gz RAUKOSDEYLJDBE-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000426395373 1042645641 /nfs/dbraw/zinc/64/56/41/1042645641.db2.gz IVXGSNWJOHLDPL-MRXNPFEDSA-N 1 1 334.341 4.190 20 30 EIEDMO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000426395373 1042645651 /nfs/dbraw/zinc/64/56/51/1042645651.db2.gz IVXGSNWJOHLDPL-MRXNPFEDSA-N 1 1 334.341 4.190 20 30 EIEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426455776 1042715263 /nfs/dbraw/zinc/71/52/63/1042715263.db2.gz UMRNIRSBPJIIOS-JOCHJYFZSA-N 1 1 334.463 4.210 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc(OC)c1 ZINC000487392552 1042841588 /nfs/dbraw/zinc/84/15/88/1042841588.db2.gz GTFAZXCETTWWJZ-UHFFFAOYSA-N 1 1 338.451 4.137 20 30 EIEDMO C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000311384581 1042858531 /nfs/dbraw/zinc/85/85/31/1042858531.db2.gz WGXXYCBVARLARB-GHTZIAJQSA-N 1 1 349.478 4.444 20 30 EIEDMO CC(C)CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000441525552 1042875607 /nfs/dbraw/zinc/87/56/07/1042875607.db2.gz NWKBCGVWOLWRAB-UHFFFAOYSA-N 1 1 338.455 4.399 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1ccnn1C ZINC000507784618 1042928422 /nfs/dbraw/zinc/92/84/22/1042928422.db2.gz MPBOEZPXJXHMQA-UHFFFAOYSA-N 1 1 342.446 4.147 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(F)cc4C#N)C3)nc2c1 ZINC000536470375 1043029735 /nfs/dbraw/zinc/02/97/35/1043029735.db2.gz BLPHHEWDAXJGGC-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(F)cc4C#N)C3)nc2c1 ZINC000536470375 1043029737 /nfs/dbraw/zinc/02/97/37/1043029737.db2.gz BLPHHEWDAXJGGC-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4C#N)C3)[nH]c2c1 ZINC000536470375 1043029746 /nfs/dbraw/zinc/02/97/46/1043029746.db2.gz BLPHHEWDAXJGGC-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4C#N)C3)[nH]c2c1 ZINC000536470375 1043029747 /nfs/dbraw/zinc/02/97/47/1043029747.db2.gz BLPHHEWDAXJGGC-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075642802 1043065891 /nfs/dbraw/zinc/06/58/91/1043065891.db2.gz ILROXRGYZWIQDO-IBGZPJMESA-N 1 1 344.418 4.254 20 30 EIEDMO Cc1cnn(-c2ccc([C@H](C)[NH2+]Cc3ccccc3C#N)cc2F)c1 ZINC000162965844 1043185469 /nfs/dbraw/zinc/18/54/69/1043185469.db2.gz GZEURXHNYFBFGT-HNNXBMFYSA-N 1 1 334.398 4.042 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000185659693 1043210542 /nfs/dbraw/zinc/21/05/42/1043210542.db2.gz XURSREQHRXAZRW-KRWDZBQOSA-N 1 1 340.467 4.130 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000185659693 1043210553 /nfs/dbraw/zinc/21/05/53/1043210553.db2.gz XURSREQHRXAZRW-KRWDZBQOSA-N 1 1 340.467 4.130 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879017 1043228594 /nfs/dbraw/zinc/22/85/94/1043228594.db2.gz OCDPIWFCCXTALR-TYPHKJRUSA-N 1 1 340.511 4.102 20 30 EIEDMO N#Cc1ccccc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311458304 1043284308 /nfs/dbraw/zinc/28/43/08/1043284308.db2.gz LETMPNZRHOVBLK-UHFFFAOYSA-N 1 1 345.490 4.046 20 30 EIEDMO C=C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428034653 1043298587 /nfs/dbraw/zinc/29/85/87/1043298587.db2.gz OFOHEBHPSYWXJZ-ROUUACIJSA-N 1 1 341.499 4.060 20 30 EIEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000282509986 1043332783 /nfs/dbraw/zinc/33/27/83/1043332783.db2.gz RWZPOWVNMWXXBG-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccc(F)c(F)c1 ZINC000187371768 1043344397 /nfs/dbraw/zinc/34/43/97/1043344397.db2.gz SKKYCDYALMZLPN-GOSISDBHSA-N 1 1 342.393 4.031 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000187372465 1043344791 /nfs/dbraw/zinc/34/47/91/1043344791.db2.gz XMKOVKVOHVKJDW-IBGZPJMESA-N 1 1 333.378 4.389 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000187374846 1043345410 /nfs/dbraw/zinc/34/54/10/1043345410.db2.gz JQPIGXDTZRASCO-IBGZPJMESA-N 1 1 333.378 4.389 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000625702618 1043360486 /nfs/dbraw/zinc/36/04/86/1043360486.db2.gz HRLTVBSAVDKPDD-CQSZACIVSA-N 1 1 344.480 4.225 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000520888068 1043426273 /nfs/dbraw/zinc/42/62/73/1043426273.db2.gz DWTZTNUEXYPENY-QGZVFWFLSA-N 1 1 349.544 4.100 20 30 EIEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000494513985 1043530010 /nfs/dbraw/zinc/53/00/10/1043530010.db2.gz MYPHMZIEKLTNQM-KPZWWZAWSA-N 1 1 332.806 4.389 20 30 EIEDMO C=CCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC1 ZINC000189462912 1043573479 /nfs/dbraw/zinc/57/34/79/1043573479.db2.gz NLEGGDVJHQEFOK-GOSISDBHSA-N 1 1 332.532 4.236 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)s1 ZINC000421354335 1043651743 /nfs/dbraw/zinc/65/17/43/1043651743.db2.gz WCOCJSXIDBIPRC-UHFFFAOYSA-N 1 1 332.856 4.352 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000731212090 1043713447 /nfs/dbraw/zinc/71/34/47/1043713447.db2.gz RPODTBGQWOPNGX-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000114733718 1043740096 /nfs/dbraw/zinc/74/00/96/1043740096.db2.gz QPOKONFDQRYPCX-YOEHRIQHSA-N 1 1 339.464 4.092 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732183587 1043883865 /nfs/dbraw/zinc/88/38/65/1043883865.db2.gz RHIPJBXHOJHREZ-HNNXBMFYSA-N 1 1 339.464 4.398 20 30 EIEDMO C[C@H]1CC([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168014933 1043934114 /nfs/dbraw/zinc/93/41/14/1043934114.db2.gz NSWAWDDLTRDJCU-CGBFIWBNSA-N 1 1 325.500 4.100 20 30 EIEDMO C[C@H]1CC([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168014935 1043936093 /nfs/dbraw/zinc/93/60/93/1043936093.db2.gz NSWAWDDLTRDJCU-JPLJXNOCSA-N 1 1 325.500 4.100 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000521828212 1043997731 /nfs/dbraw/zinc/99/77/31/1043997731.db2.gz KNYWBUCVCZLNRK-GHTZIAJQSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000521828212 1043997744 /nfs/dbraw/zinc/99/77/44/1043997744.db2.gz KNYWBUCVCZLNRK-GHTZIAJQSA-N 1 1 336.479 4.177 20 30 EIEDMO CCOc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)cc1F ZINC001212528930 1044008507 /nfs/dbraw/zinc/00/85/07/1044008507.db2.gz VPUKHZVIQDGIJC-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732987228 1044064770 /nfs/dbraw/zinc/06/47/70/1044064770.db2.gz RKLVERFUHLHDNY-IBGZPJMESA-N 1 1 328.362 4.052 20 30 EIEDMO Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)c1ccc(C#N)cc1F)[NH+](C)C ZINC000443200414 1044089040 /nfs/dbraw/zinc/08/90/40/1044089040.db2.gz GDXMQHSLIFVHDW-ZOCZFRKYSA-N 1 1 339.458 4.348 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245911366 1044210884 /nfs/dbraw/zinc/21/08/84/1044210884.db2.gz FWXQGKRQZIYEKJ-KSFYIVLOSA-N 1 1 342.446 4.152 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000390330053 1044214232 /nfs/dbraw/zinc/21/42/32/1044214232.db2.gz SFOHBAGULSFXOS-ZDUSSCGKSA-N 1 1 325.378 4.253 20 30 EIEDMO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000429249442 1044251027 /nfs/dbraw/zinc/25/10/27/1044251027.db2.gz RTKDIPBPPSKGIP-UHFFFAOYSA-N 1 1 328.799 4.125 20 30 EIEDMO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)C2CC2)s1 ZINC000347963399 1044344976 /nfs/dbraw/zinc/34/49/76/1044344976.db2.gz OZWUQASHGKODIE-OAHLLOKOSA-N 1 1 349.406 4.166 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000347996235 1044349748 /nfs/dbraw/zinc/34/97/48/1044349748.db2.gz SEMZKSFTWCOWKH-UHFFFAOYSA-N 1 1 340.430 4.033 20 30 EIEDMO C=CCCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474080463 1044368002 /nfs/dbraw/zinc/36/80/02/1044368002.db2.gz NFUYYTSTQJYRRU-QUCCMNQESA-N 1 1 343.515 4.037 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929835222 1044417647 /nfs/dbraw/zinc/41/76/47/1044417647.db2.gz QOCJCAAYRAYFGQ-QGZVFWFLSA-N 1 1 334.504 4.294 20 30 EIEDMO N#Cc1c(F)cccc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000142825930 1044506510 /nfs/dbraw/zinc/50/65/10/1044506510.db2.gz QYSDNNYECBFGHG-AWEZNQCLSA-N 1 1 329.444 4.083 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cnn(C)c2C)C(C)(C)C)cc1 ZINC000675892604 1044541137 /nfs/dbraw/zinc/54/11/37/1044541137.db2.gz GUHOJNZUXQOPLK-UHFFFAOYSA-N 1 1 327.472 4.094 20 30 EIEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321832 1044548152 /nfs/dbraw/zinc/54/81/52/1044548152.db2.gz KQOLDCVAAAXAEY-PKOBYXMFSA-N 1 1 347.462 4.155 20 30 EIEDMO COc1cc2c(cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)O[C@H](C)C2 ZINC000543413949 1044559062 /nfs/dbraw/zinc/55/90/62/1044559062.db2.gz IYGFEFYQDQHLBR-OAHLLOKOSA-N 1 1 348.446 4.055 20 30 EIEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477762 1044588106 /nfs/dbraw/zinc/58/81/06/1044588106.db2.gz SQBKGIVHHPSZRU-UWJYYQICSA-N 1 1 342.446 4.257 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000734511153 1044592475 /nfs/dbraw/zinc/59/24/75/1044592475.db2.gz ZOFORISCXROAIX-UHFFFAOYSA-N 1 1 328.156 4.223 20 30 EIEDMO C=CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049215 1044614300 /nfs/dbraw/zinc/61/43/00/1044614300.db2.gz QZBUYRIFGKSAPV-FCHUYYIVSA-N 1 1 348.490 4.127 20 30 EIEDMO CC[C@H](C/N=C\c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701387 1044677217 /nfs/dbraw/zinc/67/72/17/1044677217.db2.gz HKEDIRXLMFAQAK-JJUBJSHISA-N 1 1 342.870 4.301 20 30 EIEDMO CC(C)[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000123667314 1044748173 /nfs/dbraw/zinc/74/81/73/1044748173.db2.gz ZEHVBVURVGFIFY-UHFFFAOYSA-N 1 1 340.496 4.024 20 30 EIEDMO CC(C)[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000123667314 1044748187 /nfs/dbraw/zinc/74/81/87/1044748187.db2.gz ZEHVBVURVGFIFY-UHFFFAOYSA-N 1 1 340.496 4.024 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(C#N)cs1 ZINC000092664265 1044786306 /nfs/dbraw/zinc/78/63/06/1044786306.db2.gz KIFCQLGUTJTRPZ-UHFFFAOYSA-N 1 1 337.448 4.339 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000428870162 1044786482 /nfs/dbraw/zinc/78/64/82/1044786482.db2.gz DRNQZFOYVDXHNS-KRWDZBQOSA-N 1 1 335.451 4.358 20 30 EIEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735309145 1044787145 /nfs/dbraw/zinc/78/71/45/1044787145.db2.gz HBPDXDOANUQKGL-UHFFFAOYSA-N 1 1 332.806 4.056 20 30 EIEDMO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000474219595 1044803161 /nfs/dbraw/zinc/80/31/61/1044803161.db2.gz RJPFOTXBYUWGPC-IBGZPJMESA-N 1 1 347.418 4.305 20 30 EIEDMO C=CCCC[C@@H]([NH2+]Cc1ncc(C(=O)OC)s1)c1ccccc1 ZINC000895637343 1044835546 /nfs/dbraw/zinc/83/55/46/1044835546.db2.gz IVKRZECHKJXUDD-OAHLLOKOSA-N 1 1 330.453 4.117 20 30 EIEDMO CC(N=Nc1ccc(Cl)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735608451 1044842326 /nfs/dbraw/zinc/84/23/26/1044842326.db2.gz AXPOCBXELYSQOB-LJQANCHMSA-N 1 1 343.858 4.029 20 30 EIEDMO CC(N=Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735608451 1044842327 /nfs/dbraw/zinc/84/23/27/1044842327.db2.gz AXPOCBXELYSQOB-LJQANCHMSA-N 1 1 343.858 4.029 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000093838172 1044857752 /nfs/dbraw/zinc/85/77/52/1044857752.db2.gz GIXCHOIEZZQOHX-AWEZNQCLSA-N 1 1 330.815 4.096 20 30 EIEDMO CC(C)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000429262574 1044858624 /nfs/dbraw/zinc/85/86/24/1044858624.db2.gz GMHYQAHPTNMRPF-UHFFFAOYSA-N 1 1 328.799 4.125 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000303606356 1045038234 /nfs/dbraw/zinc/03/82/34/1045038234.db2.gz VVEGPNMYWHOLBJ-FQEVSTJZSA-N 1 1 344.499 4.037 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3cccc(C)c3)CC2)cc1 ZINC001168487976 1045087093 /nfs/dbraw/zinc/08/70/93/1045087093.db2.gz QWYCFMUXOKMMLS-UHFFFAOYSA-N 1 1 344.458 4.094 20 30 EIEDMO CCCC[C@@H](CC)C[N@H+]1CCCC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001272610759 1045222111 /nfs/dbraw/zinc/22/21/11/1045222111.db2.gz LNOCILCJKLDPIN-RBUKOAKNSA-N 1 1 347.547 4.067 20 30 EIEDMO C=CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccncc1 ZINC000766020920 1045235161 /nfs/dbraw/zinc/23/51/61/1045235161.db2.gz RBIGUWXGDONEGZ-UZLBHIALSA-N 1 1 347.466 4.247 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000153556236 1045254242 /nfs/dbraw/zinc/25/42/42/1045254242.db2.gz KNDHWTDNGNTXPE-HSZRJFAPSA-N 1 1 342.442 4.281 20 30 EIEDMO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192992 1045260890 /nfs/dbraw/zinc/26/08/90/1045260890.db2.gz YCTQCRAUKIJOBM-LAUBAEHRSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192992 1045260899 /nfs/dbraw/zinc/26/08/99/1045260899.db2.gz YCTQCRAUKIJOBM-LAUBAEHRSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192994 1045261459 /nfs/dbraw/zinc/26/14/59/1045261459.db2.gz YCTQCRAUKIJOBM-UWJYYQICSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192994 1045261463 /nfs/dbraw/zinc/26/14/63/1045261463.db2.gz YCTQCRAUKIJOBM-UWJYYQICSA-N 1 1 333.479 4.262 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3cscc3Cl)CC2)c1 ZINC000611261460 1045267771 /nfs/dbraw/zinc/26/77/71/1045267771.db2.gz SODLSJYYLHJKEE-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266774 1045272049 /nfs/dbraw/zinc/27/20/49/1045272049.db2.gz LVLXRQBWSGCOQQ-QFBILLFUSA-N 1 1 326.465 4.219 20 30 EIEDMO C=CCOCCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428819453 1045277263 /nfs/dbraw/zinc/27/72/63/1045277263.db2.gz RXGRRULBZKVYTM-YOEHRIQHSA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428819453 1045277276 /nfs/dbraw/zinc/27/72/76/1045277276.db2.gz RXGRRULBZKVYTM-YOEHRIQHSA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428819450 1045277726 /nfs/dbraw/zinc/27/77/26/1045277726.db2.gz RXGRRULBZKVYTM-PBHICJAKSA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428819450 1045277736 /nfs/dbraw/zinc/27/77/36/1045277736.db2.gz RXGRRULBZKVYTM-PBHICJAKSA-N 1 1 343.389 4.060 20 30 EIEDMO C[C@H]([NH2+][C@H](CN1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438341 1045307571 /nfs/dbraw/zinc/30/75/71/1045307571.db2.gz YGRLFCOZQWVJRU-PGRDOPGGSA-N 1 1 333.479 4.436 20 30 EIEDMO COc1cccc2c1OC/C(=C\c1[nH+]c(C(C)C)n3ccccc13)C2=O ZINC000762605754 1045313143 /nfs/dbraw/zinc/31/31/43/1045313143.db2.gz YTGLUXLKPPXLJN-SDNWHVSQSA-N 1 1 348.402 4.125 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495796083 1045411145 /nfs/dbraw/zinc/41/11/45/1045411145.db2.gz SMMLLTLMNOYTKL-HXUWFJFHSA-N 1 1 349.519 4.039 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000790960010 1045638359 /nfs/dbraw/zinc/63/83/59/1045638359.db2.gz ROZZGIQFFCSCCU-UHFFFAOYSA-N 1 1 328.156 4.223 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000768199441 1045740790 /nfs/dbraw/zinc/74/07/90/1045740790.db2.gz VYCVVMGJSWCXQQ-UHFFFAOYSA-N 1 1 336.464 4.054 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768199441 1045740805 /nfs/dbraw/zinc/74/08/05/1045740805.db2.gz VYCVVMGJSWCXQQ-UHFFFAOYSA-N 1 1 336.464 4.054 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1N1CCCCC1 ZINC000768205443 1045743461 /nfs/dbraw/zinc/74/34/61/1045743461.db2.gz FXPNFMWRRKSGRD-UHFFFAOYSA-N 1 1 325.481 4.242 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1N1CCCCC1 ZINC000768205443 1045743473 /nfs/dbraw/zinc/74/34/73/1045743473.db2.gz FXPNFMWRRKSGRD-UHFFFAOYSA-N 1 1 325.481 4.242 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000768257619 1045769688 /nfs/dbraw/zinc/76/96/88/1045769688.db2.gz NTLIWONIJHPMHY-UHFFFAOYSA-N 1 1 337.442 4.340 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704111 1045808540 /nfs/dbraw/zinc/80/85/40/1045808540.db2.gz TVEABYPYRCTFKZ-MPGHIAIKSA-N 1 1 329.463 4.001 20 30 EIEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704111 1045808543 /nfs/dbraw/zinc/80/85/43/1045808543.db2.gz TVEABYPYRCTFKZ-MPGHIAIKSA-N 1 1 329.463 4.001 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000246485399 1045816678 /nfs/dbraw/zinc/81/66/78/1045816678.db2.gz ROEHAZHKFRGEIW-QIJUGHKUSA-N 1 1 333.479 4.142 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000246485399 1045816681 /nfs/dbraw/zinc/81/66/81/1045816681.db2.gz ROEHAZHKFRGEIW-QIJUGHKUSA-N 1 1 333.479 4.142 20 30 EIEDMO O[C@H](C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1)c1ccsc1 ZINC000792236871 1045879898 /nfs/dbraw/zinc/87/98/98/1045879898.db2.gz FPBGDGSNFUVMKY-JOCHJYFZSA-N 1 1 347.483 4.335 20 30 EIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769404228 1045950476 /nfs/dbraw/zinc/95/04/76/1045950476.db2.gz POUJHQOGSGKBFZ-LJQANCHMSA-N 1 1 331.529 4.144 20 30 EIEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000769469936 1045986072 /nfs/dbraw/zinc/98/60/72/1045986072.db2.gz HZJUVQGZRMDWEP-HNNXBMFYSA-N 1 1 328.481 4.219 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000769513366 1046007376 /nfs/dbraw/zinc/00/73/76/1046007376.db2.gz BNJSCWVLABJYJH-UZLBHIALSA-N 1 1 341.476 4.112 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000769513366 1046007358 /nfs/dbraw/zinc/00/73/58/1046007358.db2.gz BNJSCWVLABJYJH-UZLBHIALSA-N 1 1 341.476 4.112 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000769549766 1046015679 /nfs/dbraw/zinc/01/56/79/1046015679.db2.gz VQYSRVIWLVWSIN-DHIUTWEWSA-N 1 1 344.458 4.360 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000769549766 1046015695 /nfs/dbraw/zinc/01/56/95/1046015695.db2.gz VQYSRVIWLVWSIN-DHIUTWEWSA-N 1 1 344.458 4.360 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1C1CC1 ZINC000127775613 1046024635 /nfs/dbraw/zinc/02/46/35/1046024635.db2.gz VKFODFBXYDBJIL-INIZCTEOSA-N 1 1 332.517 4.090 20 30 EIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCCC2)nc1C1CC1 ZINC000127775613 1046024652 /nfs/dbraw/zinc/02/46/52/1046024652.db2.gz VKFODFBXYDBJIL-INIZCTEOSA-N 1 1 332.517 4.090 20 30 EIEDMO CC(C)[N@@H+](C1CCN(C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397510 1046030945 /nfs/dbraw/zinc/03/09/45/1046030945.db2.gz DLDUIFHSMCEODL-UHFFFAOYSA-N 1 1 339.527 4.195 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769867531 1046084770 /nfs/dbraw/zinc/08/47/70/1046084770.db2.gz YDISUMGDKLQYCJ-LLVKDONJSA-N 1 1 332.753 4.017 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769867531 1046084755 /nfs/dbraw/zinc/08/47/55/1046084755.db2.gz YDISUMGDKLQYCJ-LLVKDONJSA-N 1 1 332.753 4.017 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)c(O)c(OC)c1 ZINC000916567708 1046095682 /nfs/dbraw/zinc/09/56/82/1046095682.db2.gz UDTBYLAYSOOWDO-UHFFFAOYSA-N 1 1 337.872 4.476 20 30 EIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406247 1046133386 /nfs/dbraw/zinc/13/33/86/1046133386.db2.gz IAQJTYRQEPWZRH-JLTOFOAXSA-N 1 1 340.854 4.471 20 30 EIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763408055 1046133895 /nfs/dbraw/zinc/13/38/95/1046133895.db2.gz NZHRTZUMUTZCBI-FSSWDIPSSA-N 1 1 334.463 4.250 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000763413848 1046144275 /nfs/dbraw/zinc/14/42/75/1046144275.db2.gz OTPZPKZGACCJEU-YADHBBJMSA-N 1 1 334.463 4.436 20 30 EIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000763413840 1046144726 /nfs/dbraw/zinc/14/47/26/1046144726.db2.gz OTPZPKZGACCJEU-FCHUYYIVSA-N 1 1 334.463 4.436 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000770294840 1046173230 /nfs/dbraw/zinc/17/32/30/1046173230.db2.gz QVLCTGHNLDIZIC-UYAOXDASSA-N 1 1 340.492 4.488 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000770508608 1046210161 /nfs/dbraw/zinc/21/01/61/1046210161.db2.gz BJEGIPSVVMSQLH-UHFFFAOYSA-N 1 1 347.506 4.435 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770713324 1046259408 /nfs/dbraw/zinc/25/94/08/1046259408.db2.gz WZKBOZYITABIGT-SFHVURJKSA-N 1 1 333.378 4.010 20 30 EIEDMO N#CCC[N@@H+](Cc1cc(Br)cc2cccnc21)CC1CC1 ZINC000347394903 1046307589 /nfs/dbraw/zinc/30/75/89/1046307589.db2.gz YMSZUTWMYHYEGT-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CCC[N@H+](Cc1cc(Br)cc2cccnc21)CC1CC1 ZINC000347394903 1046307605 /nfs/dbraw/zinc/30/76/05/1046307605.db2.gz YMSZUTWMYHYEGT-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282068247 1046315028 /nfs/dbraw/zinc/31/50/28/1046315028.db2.gz SSMJQWVIVVPUBE-AEFFLSMTSA-N 1 1 330.447 4.104 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151452 1046356415 /nfs/dbraw/zinc/35/64/15/1046356415.db2.gz VVSOWLQIMCFPCH-QGZVFWFLSA-N 1 1 348.425 4.115 20 30 EIEDMO C=C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000126639933 1046509429 /nfs/dbraw/zinc/50/94/29/1046509429.db2.gz HERQPGYHRCQTAL-NRFANRHFSA-N 1 1 348.490 4.081 20 30 EIEDMO COc1ccc(C[N@@H+](CCCOc2ccc(C#N)cc2)C2CC2)cc1 ZINC000916986144 1046523252 /nfs/dbraw/zinc/52/32/52/1046523252.db2.gz KPJXFVMSGYFYKB-UHFFFAOYSA-N 1 1 336.435 4.000 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)cc1 ZINC000917032901 1046572524 /nfs/dbraw/zinc/57/25/24/1046572524.db2.gz WOSSOGHQJLCMBJ-OAQYLSRUSA-N 1 1 336.435 4.173 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CCCCC2)CC1 ZINC000917059536 1046600268 /nfs/dbraw/zinc/60/02/68/1046600268.db2.gz IMAKRNRDNHUIAQ-INIZCTEOSA-N 1 1 339.483 4.178 20 30 EIEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000536661547 1046628038 /nfs/dbraw/zinc/62/80/38/1046628038.db2.gz XVVQUQPYWSGMPH-CQSZACIVSA-N 1 1 344.842 4.268 20 30 EIEDMO C=C(Cl)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786443628 1046837628 /nfs/dbraw/zinc/83/76/28/1046837628.db2.gz WKPSUTYJSYYOSJ-UHFFFAOYSA-N 1 1 344.680 4.183 20 30 EIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497613454 1046891752 /nfs/dbraw/zinc/89/17/52/1046891752.db2.gz WZKUSBDUBMUWJY-INIZCTEOSA-N 1 1 338.451 4.467 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccncc21 ZINC000917457533 1046897598 /nfs/dbraw/zinc/89/75/98/1046897598.db2.gz JDWCJAGEHIHYJN-UHFFFAOYSA-N 1 1 331.419 4.224 20 30 EIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000537045672 1046912208 /nfs/dbraw/zinc/91/22/08/1046912208.db2.gz WTMNCHALHMPQEZ-HNNXBMFYSA-N 1 1 326.415 4.017 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418619 1047004241 /nfs/dbraw/zinc/00/42/41/1047004241.db2.gz YQTNVKGTXZNYOX-INIZCTEOSA-N 1 1 325.374 4.252 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)ncn2C ZINC000537206972 1047026970 /nfs/dbraw/zinc/02/69/70/1047026970.db2.gz KFFJRJUJUABMJC-UHFFFAOYSA-N 1 1 331.872 4.476 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)ncn2C ZINC000537206972 1047026982 /nfs/dbraw/zinc/02/69/82/1047026982.db2.gz KFFJRJUJUABMJC-UHFFFAOYSA-N 1 1 331.872 4.476 20 30 EIEDMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491014 1047037252 /nfs/dbraw/zinc/03/72/52/1047037252.db2.gz HYVLUNLKDIZQMM-FJIDUMEYSA-N 1 1 349.519 4.179 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)o1 ZINC000537314131 1047099755 /nfs/dbraw/zinc/09/97/55/1047099755.db2.gz JUBUUCRVBIWFRJ-OAQYLSRUSA-N 1 1 332.403 4.199 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000788592463 1047241014 /nfs/dbraw/zinc/24/10/14/1047241014.db2.gz NNARBXQCZLCEMA-GOSISDBHSA-N 1 1 339.370 4.118 20 30 EIEDMO CCCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806943758 1047392049 /nfs/dbraw/zinc/39/20/49/1047392049.db2.gz KICFCDQPVIDJJB-DFNIBXOVSA-N 1 1 337.552 4.394 20 30 EIEDMO CCCCC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC ZINC000789575455 1047440871 /nfs/dbraw/zinc/44/08/71/1047440871.db2.gz KVRRMXGYESONAN-OBXNSHGQSA-N 1 1 342.483 4.102 20 30 EIEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000897696315 1047449275 /nfs/dbraw/zinc/44/92/75/1047449275.db2.gz KBFFYNCKVBQRKO-KRWDZBQOSA-N 1 1 346.540 4.083 20 30 EIEDMO COc1ccc2c(c1)C[C@H]([N@H+](CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001168284195 1047457171 /nfs/dbraw/zinc/45/71/71/1047457171.db2.gz SBPTXDBNZFEKIZ-LJQANCHMSA-N 1 1 340.854 4.232 20 30 EIEDMO COc1ccc2c(c1)C[C@H]([N@@H+](CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001168284195 1047457175 /nfs/dbraw/zinc/45/71/75/1047457175.db2.gz SBPTXDBNZFEKIZ-LJQANCHMSA-N 1 1 340.854 4.232 20 30 EIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000609280809 1047479217 /nfs/dbraw/zinc/47/92/17/1047479217.db2.gz PVQRMJYCYGMIJN-IBGZPJMESA-N 1 1 336.435 4.173 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000790471478 1047593756 /nfs/dbraw/zinc/59/37/56/1047593756.db2.gz QGJFOVIUOCMTLY-HNNXBMFYSA-N 1 1 343.496 4.411 20 30 EIEDMO C=CCCC1(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000476455462 1047817825 /nfs/dbraw/zinc/81/78/25/1047817825.db2.gz DRGHUJMSBUYZHP-QUCCMNQESA-N 1 1 340.511 4.150 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064819 1047923748 /nfs/dbraw/zinc/92/37/48/1047923748.db2.gz OAKRQPMXLRMEGB-WOJBJXKFSA-N 1 1 332.451 4.209 20 30 EIEDMO N#Cc1ccccc1OC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC001136956235 1047981933 /nfs/dbraw/zinc/98/19/33/1047981933.db2.gz LNBAOQVPZOMRLH-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)c1 ZINC001136956593 1047983738 /nfs/dbraw/zinc/98/37/38/1047983738.db2.gz XFHHYNLYFAVJLR-KRWDZBQOSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)c1 ZINC001136956593 1047983761 /nfs/dbraw/zinc/98/37/61/1047983761.db2.gz XFHHYNLYFAVJLR-KRWDZBQOSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136956599 1047983847 /nfs/dbraw/zinc/98/38/47/1047983847.db2.gz XTIRZKKLUKTKCQ-MRXNPFEDSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136956599 1047983875 /nfs/dbraw/zinc/98/38/75/1047983875.db2.gz XTIRZKKLUKTKCQ-MRXNPFEDSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)c1 ZINC001136956594 1047983962 /nfs/dbraw/zinc/98/39/62/1047983962.db2.gz XFHHYNLYFAVJLR-QGZVFWFLSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)c1 ZINC001136956594 1047984002 /nfs/dbraw/zinc/98/40/02/1047984002.db2.gz XFHHYNLYFAVJLR-QGZVFWFLSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC001136957725 1047989970 /nfs/dbraw/zinc/98/99/70/1047989970.db2.gz MQZXBSOJGXWDKT-KRWDZBQOSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC001136957725 1047989990 /nfs/dbraw/zinc/98/99/90/1047989990.db2.gz MQZXBSOJGXWDKT-KRWDZBQOSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985802 1048033754 /nfs/dbraw/zinc/03/37/54/1048033754.db2.gz WFCBSPAQNYFLFT-KRWDZBQOSA-N 1 1 349.409 4.222 20 30 EIEDMO C=CCC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868740 1048085343 /nfs/dbraw/zinc/08/53/43/1048085343.db2.gz BUKMYIMUGZZKQG-LEWJYISDSA-N 1 1 338.495 4.441 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143362363 1048115261 /nfs/dbraw/zinc/11/52/61/1048115261.db2.gz WQIHQZCHZJEIIB-UHFFFAOYSA-N 1 1 332.753 4.364 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000499054561 1048134447 /nfs/dbraw/zinc/13/44/47/1048134447.db2.gz RRPQFDYCVJHDHI-SJORKVTESA-N 1 1 342.508 4.045 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000499054561 1048134453 /nfs/dbraw/zinc/13/44/53/1048134453.db2.gz RRPQFDYCVJHDHI-SJORKVTESA-N 1 1 342.508 4.045 20 30 EIEDMO Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001143672944 1048146942 /nfs/dbraw/zinc/14/69/42/1048146942.db2.gz WSLPNRDETSATDC-UHFFFAOYSA-N 1 1 330.353 4.444 20 30 EIEDMO Cc1ccc(C(F)(F)F)c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001143672944 1048146966 /nfs/dbraw/zinc/14/69/66/1048146966.db2.gz WSLPNRDETSATDC-UHFFFAOYSA-N 1 1 330.353 4.444 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001143732211 1048180083 /nfs/dbraw/zinc/18/00/83/1048180083.db2.gz NTGHZDNJBQLRNI-UHFFFAOYSA-N 1 1 326.827 4.297 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCSC1CCCCC1 ZINC001170769182 1048217188 /nfs/dbraw/zinc/21/71/88/1048217188.db2.gz NATVDPALBTYSQN-UHFFFAOYSA-N 1 1 332.513 4.073 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC001170770103 1048221493 /nfs/dbraw/zinc/22/14/93/1048221493.db2.gz YYPCULKDUNQYQG-UHFFFAOYSA-N 1 1 330.431 4.360 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000556956820 1048305845 /nfs/dbraw/zinc/30/58/45/1048305845.db2.gz ROVDOGMOVRFKEI-AWEZNQCLSA-N 1 1 348.899 4.094 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000556956820 1048305860 /nfs/dbraw/zinc/30/58/60/1048305860.db2.gz ROVDOGMOVRFKEI-AWEZNQCLSA-N 1 1 348.899 4.094 20 30 EIEDMO CC(C)[N@H+](Cc1cncc(C#N)c1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144083223 1048414181 /nfs/dbraw/zinc/41/41/81/1048414181.db2.gz CGKWDVIWMICKGW-QFIPXVFZSA-N 1 1 345.446 4.050 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809605928 1048414271 /nfs/dbraw/zinc/41/42/71/1048414271.db2.gz JTYMYBXWZRUAMX-LJQANCHMSA-N 1 1 332.491 4.190 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809605928 1048414278 /nfs/dbraw/zinc/41/42/78/1048414278.db2.gz JTYMYBXWZRUAMX-LJQANCHMSA-N 1 1 332.491 4.190 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1Cl ZINC000557052105 1048447133 /nfs/dbraw/zinc/44/71/33/1048447133.db2.gz GETUOMGYGWJTNK-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO C#C[C@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1F ZINC000809699579 1048461910 /nfs/dbraw/zinc/46/19/10/1048461910.db2.gz QJRAVIJIXVYUNB-UGSOOPFHSA-N 1 1 333.838 4.152 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)nc1 ZINC001144162914 1048472871 /nfs/dbraw/zinc/47/28/71/1048472871.db2.gz CVKJUXVKNKOYIN-ZDUSSCGKSA-N 1 1 332.234 4.250 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)nc1 ZINC001144162914 1048472898 /nfs/dbraw/zinc/47/28/98/1048472898.db2.gz CVKJUXVKNKOYIN-ZDUSSCGKSA-N 1 1 332.234 4.250 20 30 EIEDMO CCC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cn1 ZINC001144163333 1048477289 /nfs/dbraw/zinc/47/72/89/1048477289.db2.gz BLNSXULCCMBAQX-UHFFFAOYSA-N 1 1 344.256 4.128 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000809729765 1048479911 /nfs/dbraw/zinc/47/99/11/1048479911.db2.gz ZERNFNBDNJQTEH-GOSISDBHSA-N 1 1 326.827 4.084 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000809729765 1048479922 /nfs/dbraw/zinc/47/99/22/1048479922.db2.gz ZERNFNBDNJQTEH-GOSISDBHSA-N 1 1 326.827 4.084 20 30 EIEDMO C#CCOc1ccc(C[N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc1 ZINC000809705805 1048487249 /nfs/dbraw/zinc/48/72/49/1048487249.db2.gz ZZLBBRRAVRSSSB-UHFFFAOYSA-N 1 1 337.467 4.054 20 30 EIEDMO C#CCOc1ccc(C[N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc1 ZINC000809705805 1048487268 /nfs/dbraw/zinc/48/72/68/1048487268.db2.gz ZZLBBRRAVRSSSB-UHFFFAOYSA-N 1 1 337.467 4.054 20 30 EIEDMO Cc1cnc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1C#N ZINC001170586952 1048527414 /nfs/dbraw/zinc/52/74/14/1048527414.db2.gz ZEOXEOZUOPLKHQ-MRXNPFEDSA-N 1 1 349.265 4.283 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1O ZINC000815595041 1048529459 /nfs/dbraw/zinc/52/94/59/1048529459.db2.gz GGNSNUHDYKEYTR-SNVBAGLBSA-N 1 1 338.304 4.273 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809789762 1048534907 /nfs/dbraw/zinc/53/49/07/1048534907.db2.gz DIRPRBLQBLGUFO-INIZCTEOSA-N 1 1 336.435 4.151 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170598766 1048651671 /nfs/dbraw/zinc/65/16/71/1048651671.db2.gz JKGLEDMBMMYTIE-IEBWSBKVSA-N 1 1 333.520 4.271 20 30 EIEDMO Cc1cc2cc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005581 1048784124 /nfs/dbraw/zinc/78/41/24/1048784124.db2.gz ADERVUGONSOXRH-FQEVSTJZSA-N 1 1 334.419 4.087 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1OC ZINC000846106472 1048822494 /nfs/dbraw/zinc/82/24/94/1048822494.db2.gz BQDKYLIEPLRORW-GOSISDBHSA-N 1 1 337.410 4.271 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001171216753 1048839307 /nfs/dbraw/zinc/83/93/07/1048839307.db2.gz KNAIPQZYXPGWRO-HAFPXEGZSA-N 1 1 338.495 4.016 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000816619879 1048845196 /nfs/dbraw/zinc/84/51/96/1048845196.db2.gz ZCKNOPROMSTPEK-OAQYLSRUSA-N 1 1 333.479 4.416 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)c1 ZINC001144743356 1048848624 /nfs/dbraw/zinc/84/86/24/1048848624.db2.gz KDPCFZJCODDSSB-GOSISDBHSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817575951 1049006740 /nfs/dbraw/zinc/00/67/40/1049006740.db2.gz LRPHCPIBBFJQJA-AWEZNQCLSA-N 1 1 348.269 4.018 20 30 EIEDMO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)c(F)c1 ZINC000817581633 1049014477 /nfs/dbraw/zinc/01/44/77/1049014477.db2.gz QWDZZSHTXXZVSC-IBGZPJMESA-N 1 1 328.362 4.086 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)c1 ZINC000817589623 1049018616 /nfs/dbraw/zinc/01/86/16/1049018616.db2.gz OTWPWDCYHUIPKK-HNNXBMFYSA-N 1 1 347.281 4.128 20 30 EIEDMO C[C@H](CNc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000609495623 1049088107 /nfs/dbraw/zinc/08/81/07/1049088107.db2.gz DHKQBDJAUMXCDP-CQSZACIVSA-N 1 1 325.843 4.070 20 30 EIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170887936 1049093773 /nfs/dbraw/zinc/09/37/73/1049093773.db2.gz ZYTBZSKUTMONOL-GQAVTEOGSA-N 1 1 345.284 4.073 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1Cl ZINC000811502054 1049115965 /nfs/dbraw/zinc/11/59/65/1049115965.db2.gz HQIOHOAHVUNXOX-UHFFFAOYSA-N 1 1 326.614 4.203 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001136222899 1049313567 /nfs/dbraw/zinc/31/35/67/1049313567.db2.gz ZOAFXBSTKODUKW-LAUBAEHRSA-N 1 1 328.500 4.137 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222898 1049314361 /nfs/dbraw/zinc/31/43/61/1049314361.db2.gz ZOAFXBSTKODUKW-DYESRHJHSA-N 1 1 328.500 4.137 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819457369 1049320794 /nfs/dbraw/zinc/32/07/94/1049320794.db2.gz ACHLEZHAWWBFSY-VGSWGCGISA-N 1 1 349.478 4.391 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819457369 1049320807 /nfs/dbraw/zinc/32/08/07/1049320807.db2.gz ACHLEZHAWWBFSY-VGSWGCGISA-N 1 1 349.478 4.391 20 30 EIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610133948 1049555188 /nfs/dbraw/zinc/55/51/88/1049555188.db2.gz XWKKSXRLQFMHFM-FQEVSTJZSA-N 1 1 341.499 4.224 20 30 EIEDMO CCc1ccc([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC001170684898 1049560539 /nfs/dbraw/zinc/56/05/39/1049560539.db2.gz YSWHDVKVKUGFGK-OAQYLSRUSA-N 1 1 334.463 4.379 20 30 EIEDMO N#CCc1cccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716670534 1049700557 /nfs/dbraw/zinc/70/05/57/1049700557.db2.gz NMXLBVPSKJMWKP-BVSLBCMMSA-N 1 1 331.463 4.218 20 30 EIEDMO C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715702 1049703798 /nfs/dbraw/zinc/70/37/98/1049703798.db2.gz XQUJAANLTBSXSE-BHVFFLMSSA-N 1 1 345.490 4.262 20 30 EIEDMO C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715702 1049703812 /nfs/dbraw/zinc/70/38/12/1049703812.db2.gz XQUJAANLTBSXSE-BHVFFLMSSA-N 1 1 345.490 4.262 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000179679139 1049711254 /nfs/dbraw/zinc/71/12/54/1049711254.db2.gz VQDQNJPPTYJEHA-UHFFFAOYSA-N 1 1 342.446 4.123 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCOc2ccc(C#N)cc2)cc1 ZINC001171484810 1049715989 /nfs/dbraw/zinc/71/59/89/1049715989.db2.gz RWPUGAKUADFFAZ-QFIPXVFZSA-N 1 1 347.462 4.372 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H](C)C#N ZINC000179773057 1049754800 /nfs/dbraw/zinc/75/48/00/1049754800.db2.gz SZFZTTCOGIBYIE-SNVBAGLBSA-N 1 1 347.203 4.032 20 30 EIEDMO CC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H](C)C#N ZINC000179773057 1049754809 /nfs/dbraw/zinc/75/48/09/1049754809.db2.gz SZFZTTCOGIBYIE-SNVBAGLBSA-N 1 1 347.203 4.032 20 30 EIEDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000822525571 1049767562 /nfs/dbraw/zinc/76/75/62/1049767562.db2.gz IPDDBUYTDJQVPH-GFCCVEGCSA-N 1 1 330.815 4.119 20 30 EIEDMO C[C@H]1C[C@@H](N(CCC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171746604 1049789915 /nfs/dbraw/zinc/78/99/15/1049789915.db2.gz PSGRFUGDRKYUPI-SIKLNZKXSA-N 1 1 333.479 4.065 20 30 EIEDMO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822901510 1049806938 /nfs/dbraw/zinc/80/69/38/1049806938.db2.gz YDJYIDNIUBSBLP-QGZVFWFLSA-N 1 1 340.471 4.268 20 30 EIEDMO C=C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001171835620 1049811858 /nfs/dbraw/zinc/81/18/58/1049811858.db2.gz LESLXLYCKFSIOH-VXKWHMMOSA-N 1 1 348.490 4.127 20 30 EIEDMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC001171911394 1049818500 /nfs/dbraw/zinc/81/85/00/1049818500.db2.gz LKHJUWIBFSSREU-QGZVFWFLSA-N 1 1 337.508 4.087 20 30 EIEDMO CCC1(CC)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC001171954530 1049821624 /nfs/dbraw/zinc/82/16/24/1049821624.db2.gz KERKTESUUQARBF-UHFFFAOYSA-N 1 1 333.501 4.077 20 30 EIEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC001171954530 1049821627 /nfs/dbraw/zinc/82/16/27/1049821627.db2.gz KERKTESUUQARBF-UHFFFAOYSA-N 1 1 333.501 4.077 20 30 EIEDMO CC1(C)C[C@@H](N[C@@H](C#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171961593 1049824226 /nfs/dbraw/zinc/82/42/26/1049824226.db2.gz AQEITWBLZPPROU-SFTDATJTSA-N 1 1 333.479 4.284 20 30 EIEDMO CC1(C)C[C@@H](NC2(CC#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977634 1049837597 /nfs/dbraw/zinc/83/75/97/1049837597.db2.gz SNIXGFKQYFWBCJ-IBGZPJMESA-N 1 1 325.500 4.246 20 30 EIEDMO C#Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172074783 1049844136 /nfs/dbraw/zinc/84/41/36/1049844136.db2.gz XUXRRQIHGIBMSH-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074783 1049844139 /nfs/dbraw/zinc/84/41/39/1049844139.db2.gz XUXRRQIHGIBMSH-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172074783 1049844140 /nfs/dbraw/zinc/84/41/40/1049844140.db2.gz XUXRRQIHGIBMSH-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO CC(C)[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063581 1049849846 /nfs/dbraw/zinc/84/98/46/1049849846.db2.gz BYQNDZYEDWEUIZ-MXEMCNAFSA-N 1 1 325.500 4.100 20 30 EIEDMO N#Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066006 1049851060 /nfs/dbraw/zinc/85/10/60/1049851060.db2.gz SOEVERPCBJRVCV-WBDAEOGXSA-N 1 1 345.490 4.234 20 30 EIEDMO N#C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064548 1049851322 /nfs/dbraw/zinc/85/13/22/1049851322.db2.gz HCKZMSMNWNSXET-KAOXLYBCSA-N 1 1 345.490 4.427 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172308420 1049875020 /nfs/dbraw/zinc/87/50/20/1049875020.db2.gz XVCUAQAKHWGVBW-IBGZPJMESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)n1ccc([C@H](C)[NH2+]Cc2ccccc2)n1 ZINC001172310956 1049875414 /nfs/dbraw/zinc/87/54/14/1049875414.db2.gz MGPBTJCXMJGQGX-MSOLQXFVSA-N 1 1 344.462 4.409 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172312187 1049875619 /nfs/dbraw/zinc/87/56/19/1049875619.db2.gz FOUNSCTWNDOZDM-MGPUTAFESA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172312187 1049875623 /nfs/dbraw/zinc/87/56/23/1049875623.db2.gz FOUNSCTWNDOZDM-MGPUTAFESA-N 1 1 340.854 4.216 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172530792 1049920340 /nfs/dbraw/zinc/92/03/40/1049920340.db2.gz IDNGUXIOELSQDN-PCCBWWKXSA-N 1 1 340.511 4.215 20 30 EIEDMO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172498356 1049922630 /nfs/dbraw/zinc/92/26/30/1049922630.db2.gz MCEYKAPWRPKMFS-AZUAARDMSA-N 1 1 343.515 4.064 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172505880 1049923815 /nfs/dbraw/zinc/92/38/15/1049923815.db2.gz WMOWHEFGMLGWAK-RBUKOAKNSA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504649 1049924299 /nfs/dbraw/zinc/92/42/99/1049924299.db2.gz HOGPHICPJVKGGN-FUHWJXTLSA-N 1 1 349.519 4.323 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172503799 1049924423 /nfs/dbraw/zinc/92/44/23/1049924423.db2.gz BGAHNRDGQNLWDH-WSTZPKSXSA-N 1 1 349.519 4.107 20 30 EIEDMO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1[C@H](C)CCCC#N ZINC001172510067 1049925773 /nfs/dbraw/zinc/92/57/73/1049925773.db2.gz VATKTQUIENCLIV-QRQLOZEOSA-N 1 1 328.456 4.228 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001172510335 1049925905 /nfs/dbraw/zinc/92/59/05/1049925905.db2.gz ZYBPXSSEYSAGPD-OAHLLOKOSA-N 1 1 343.471 4.474 20 30 EIEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180759755 1049942237 /nfs/dbraw/zinc/94/22/37/1049942237.db2.gz QKQFSUKGPZPNBP-WMZOPIPTSA-N 1 1 338.854 4.085 20 30 EIEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180759755 1049942241 /nfs/dbraw/zinc/94/22/41/1049942241.db2.gz QKQFSUKGPZPNBP-WMZOPIPTSA-N 1 1 338.854 4.085 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001212325482 1050061172 /nfs/dbraw/zinc/06/11/72/1050061172.db2.gz SBIAQTGCFMFIQP-KRWDZBQOSA-N 1 1 333.391 4.332 20 30 EIEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000181326171 1050098959 /nfs/dbraw/zinc/09/89/59/1050098959.db2.gz PKKNIIPOQYAKCD-UHFFFAOYSA-N 1 1 338.407 4.041 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000181326171 1050098960 /nfs/dbraw/zinc/09/89/60/1050098960.db2.gz PKKNIIPOQYAKCD-UHFFFAOYSA-N 1 1 338.407 4.041 20 30 EIEDMO CC(C)[C@H](C#N)OC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000181532628 1050176893 /nfs/dbraw/zinc/17/68/93/1050176893.db2.gz ZTBUPPUDJOUPSD-FQEVSTJZSA-N 1 1 336.435 4.024 20 30 EIEDMO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181523642 1050182190 /nfs/dbraw/zinc/18/21/90/1050182190.db2.gz CYGWFTQSUSGZEK-SFHVURJKSA-N 1 1 333.479 4.182 20 30 EIEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001185914055 1050193125 /nfs/dbraw/zinc/19/31/25/1050193125.db2.gz GLDUZGKCUFBQOI-ZWCUEREDSA-N 1 1 349.453 4.410 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181568146 1050204892 /nfs/dbraw/zinc/20/48/92/1050204892.db2.gz KOVQOETWIRNPNC-ZDUSSCGKSA-N 1 1 342.389 4.476 20 30 EIEDMO CC(C)(C)OC(=O)CCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000181601811 1050236189 /nfs/dbraw/zinc/23/61/89/1050236189.db2.gz KVPRPARZHWFRBG-UHFFFAOYSA-N 1 1 328.456 4.035 20 30 EIEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1Br)C(C)(C)C ZINC001203342965 1050262380 /nfs/dbraw/zinc/26/23/80/1050262380.db2.gz NCYXNWRPAJYERD-UHFFFAOYSA-N 1 1 342.277 4.253 20 30 EIEDMO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1Br)C(C)(C)C ZINC001203342965 1050262367 /nfs/dbraw/zinc/26/23/67/1050262367.db2.gz NCYXNWRPAJYERD-UHFFFAOYSA-N 1 1 342.277 4.253 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001173100767 1050301905 /nfs/dbraw/zinc/30/19/05/1050301905.db2.gz TXRGDXPAYLPMMJ-MHJFOBGBSA-N 1 1 342.483 4.139 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173337005 1050425312 /nfs/dbraw/zinc/42/53/12/1050425312.db2.gz VJRLRZHYBORBHO-ZGUYJTEBSA-N 1 1 349.519 4.227 20 30 EIEDMO N#CCC1CCC([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173338520 1050427346 /nfs/dbraw/zinc/42/73/46/1050427346.db2.gz IVQZPHFMIPQBGG-GQGLESIBSA-N 1 1 329.875 4.075 20 30 EIEDMO CC[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337323 1050427879 /nfs/dbraw/zinc/42/78/79/1050427879.db2.gz HKHBYCIERSISRX-MNLRITNHSA-N 1 1 325.500 4.055 20 30 EIEDMO COc1cccc(O[C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173339971 1050428173 /nfs/dbraw/zinc/42/81/73/1050428173.db2.gz WUGDLFXEBONMQD-LBXVMSDZSA-N 1 1 328.456 4.011 20 30 EIEDMO N#CCC1CCC([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001173337488 1050428618 /nfs/dbraw/zinc/42/86/18/1050428618.db2.gz MBVMGRAMHADWPD-UHFFFAOYSA-N 1 1 341.282 4.260 20 30 EIEDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000618593936 1050429147 /nfs/dbraw/zinc/42/91/47/1050429147.db2.gz ZAAHPHXOKMGIRF-FGZHOGPDSA-N 1 1 334.463 4.466 20 30 EIEDMO C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001173340973 1050430348 /nfs/dbraw/zinc/43/03/48/1050430348.db2.gz OLEVKKBBJTZNBL-NQAMIAIDSA-N 1 1 325.500 4.054 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173340689 1050430486 /nfs/dbraw/zinc/43/04/86/1050430486.db2.gz JPPUVULWBCOUCL-XUJQIHCRSA-N 1 1 326.440 4.083 20 30 EIEDMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173593419 1050496693 /nfs/dbraw/zinc/49/66/93/1050496693.db2.gz IXYABTUHDIOFCU-JFBVMJNESA-N 1 1 349.519 4.084 20 30 EIEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)C1CCC(C)(C#N)CC1 ZINC001173592543 1050497351 /nfs/dbraw/zinc/49/73/51/1050497351.db2.gz SOTSXRSAXUXALX-UHFFFAOYSA-N 1 1 325.378 4.047 20 30 EIEDMO CN1CCC([N@@H+](Cc2ccc(F)cc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173596745 1050499245 /nfs/dbraw/zinc/49/92/45/1050499245.db2.gz CEXAGVOELSMPPG-UHFFFAOYSA-N 1 1 343.490 4.194 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173600928 1050501120 /nfs/dbraw/zinc/50/11/20/1050501120.db2.gz MKKKWDRRDWUJMK-ASPXRTSYSA-N 1 1 349.519 4.227 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600608 1050501830 /nfs/dbraw/zinc/50/18/30/1050501830.db2.gz GNDQFIWEYRJRPW-OVPXZRGXSA-N 1 1 346.515 4.434 20 30 EIEDMO CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600653 1050502123 /nfs/dbraw/zinc/50/21/23/1050502123.db2.gz HSOYVMQWABTOIZ-OHTSDLOESA-N 1 1 349.519 4.180 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173601510 1050502529 /nfs/dbraw/zinc/50/25/29/1050502529.db2.gz UTHQEIXGRCLICX-UHFFFAOYSA-N 1 1 349.519 4.180 20 30 EIEDMO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807477 1050535610 /nfs/dbraw/zinc/53/56/10/1050535610.db2.gz ZWZBAFFLQLBFPE-NPFVIJTESA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807479 1050535856 /nfs/dbraw/zinc/53/58/56/1050535856.db2.gz ZWZBAFFLQLBFPE-XGRCMKMKSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000093227474 1050536421 /nfs/dbraw/zinc/53/64/21/1050536421.db2.gz FLUKMONHOYQTGE-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000093227474 1050536433 /nfs/dbraw/zinc/53/64/33/1050536433.db2.gz FLUKMONHOYQTGE-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO C=CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001178732330 1050540606 /nfs/dbraw/zinc/54/06/06/1050540606.db2.gz RFLLXQRFSBUDNE-STZQEDGTSA-N 1 1 348.490 4.188 20 30 EIEDMO Cc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562572 1050715860 /nfs/dbraw/zinc/71/58/60/1050715860.db2.gz GFAVJWWIXLENNE-OAQYLSRUSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562572 1050715868 /nfs/dbraw/zinc/71/58/68/1050715868.db2.gz GFAVJWWIXLENNE-OAQYLSRUSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1ccc(C[NH2+]Cc2cccc(F)c2Br)cc1C#N ZINC001179562884 1050717658 /nfs/dbraw/zinc/71/76/58/1050717658.db2.gz WWWASQUAJGSKBC-UHFFFAOYSA-N 1 1 333.204 4.058 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc([N+](=O)[O-])c1 ZINC000775187617 1050822051 /nfs/dbraw/zinc/82/20/51/1050822051.db2.gz QZEXYXJJIBYSOV-GFCCVEGCSA-N 1 1 345.786 4.001 20 30 EIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC)cc1 ZINC000619620326 1050840529 /nfs/dbraw/zinc/84/05/29/1050840529.db2.gz WMGHQZXUUYTNNG-UHFFFAOYSA-N 1 1 330.472 4.008 20 30 EIEDMO COc1ccc(C(C)(C)C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC001180031188 1050859408 /nfs/dbraw/zinc/85/94/08/1050859408.db2.gz WMIXMFCRAIRUGE-UHFFFAOYSA-N 1 1 332.488 4.243 20 30 EIEDMO C#CC[N@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CC1CC1 ZINC001180117584 1050891187 /nfs/dbraw/zinc/89/11/87/1050891187.db2.gz ZFYAFJBGNDPQGI-KRWDZBQOSA-N 1 1 336.520 4.051 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2sccc2Br)cc1Cl ZINC000619748405 1050894927 /nfs/dbraw/zinc/89/49/27/1050894927.db2.gz KIMGSZHNAJRVEZ-UHFFFAOYSA-N 1 1 341.661 4.325 20 30 EIEDMO C#CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC001180295935 1050959369 /nfs/dbraw/zinc/95/93/69/1050959369.db2.gz COHGKBDTNMOOAN-GOSISDBHSA-N 1 1 329.802 4.307 20 30 EIEDMO C#CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC001180295935 1050959374 /nfs/dbraw/zinc/95/93/74/1050959374.db2.gz COHGKBDTNMOOAN-GOSISDBHSA-N 1 1 329.802 4.307 20 30 EIEDMO CC(C)c1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC001180363623 1050982417 /nfs/dbraw/zinc/98/24/17/1050982417.db2.gz ABPBHPOIQUQOBG-UHFFFAOYSA-N 1 1 347.506 4.390 20 30 EIEDMO CC(C)c1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001180363623 1050982431 /nfs/dbraw/zinc/98/24/31/1050982431.db2.gz ABPBHPOIQUQOBG-UHFFFAOYSA-N 1 1 347.506 4.390 20 30 EIEDMO CC(C)c1cccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001180363623 1050982442 /nfs/dbraw/zinc/98/24/42/1050982442.db2.gz ABPBHPOIQUQOBG-UHFFFAOYSA-N 1 1 347.506 4.390 20 30 EIEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000775309723 1051045902 /nfs/dbraw/zinc/04/59/02/1051045902.db2.gz BKHBPULEMKNWFC-UHFFFAOYSA-N 1 1 347.393 4.058 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153779 1051095615 /nfs/dbraw/zinc/09/56/15/1051095615.db2.gz VBRNIXVJRZXWTK-FGZHOGPDSA-N 1 1 342.446 4.144 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001190349377 1051159584 /nfs/dbraw/zinc/15/95/84/1051159584.db2.gz WCOCGEZYCHQLQI-JOCHJYFZSA-N 1 1 333.479 4.045 20 30 EIEDMO CCCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190349377 1051159594 /nfs/dbraw/zinc/15/95/94/1051159594.db2.gz WCOCGEZYCHQLQI-JOCHJYFZSA-N 1 1 333.479 4.045 20 30 EIEDMO CCCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190349377 1051159599 /nfs/dbraw/zinc/15/95/99/1051159599.db2.gz WCOCGEZYCHQLQI-JOCHJYFZSA-N 1 1 333.479 4.045 20 30 EIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(CC#N)cc1 ZINC001190418190 1051178591 /nfs/dbraw/zinc/17/85/91/1051178591.db2.gz WQRHDELHLBRBMG-UHFFFAOYSA-N 1 1 328.843 4.307 20 30 EIEDMO C=C(C)Nc1ccccc1C[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC001174794759 1051196271 /nfs/dbraw/zinc/19/62/71/1051196271.db2.gz IZAGRDQQDOGSNP-LJQANCHMSA-N 1 1 330.859 4.451 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001190582342 1051225216 /nfs/dbraw/zinc/22/52/16/1051225216.db2.gz WLOGVYWEVNURQO-HXUWFJFHSA-N 1 1 335.451 4.360 20 30 EIEDMO C[C@@H]1CCC[C@H]([N@@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190683491 1051256009 /nfs/dbraw/zinc/25/60/09/1051256009.db2.gz WPJFHMMPPMDFAL-RYRKJORJSA-N 1 1 328.456 4.346 20 30 EIEDMO CCOc1cc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1F ZINC001175057626 1051306390 /nfs/dbraw/zinc/30/63/90/1051306390.db2.gz OUVVJORDTPSOBF-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO CCOc1ccc(F)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1F ZINC001175039577 1051332760 /nfs/dbraw/zinc/33/27/60/1051332760.db2.gz DSHVHYPJKRXWLJ-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO CCOc1ccc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1F ZINC001175039577 1051332762 /nfs/dbraw/zinc/33/27/62/1051332762.db2.gz DSHVHYPJKRXWLJ-UHFFFAOYSA-N 1 1 349.406 4.028 20 30 EIEDMO CCCCCCCCNC(=O)NC1CCN(c2[nH+]cccc2C)CC1 ZINC001191074859 1051344063 /nfs/dbraw/zinc/34/40/63/1051344063.db2.gz DHGWEWWXGJAGKO-UHFFFAOYSA-N 1 1 346.519 4.019 20 30 EIEDMO CN(CC(C)(C)C#N)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181988381 1051366427 /nfs/dbraw/zinc/36/64/27/1051366427.db2.gz ZRAIECZPNBYVPP-QFIPXVFZSA-N 1 1 341.543 4.406 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164652 1051370871 /nfs/dbraw/zinc/37/08/71/1051370871.db2.gz IJDAGDVWWQFSCV-HOTGVXAUSA-N 1 1 340.389 4.212 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(Br)cc1 ZINC001182030953 1051375371 /nfs/dbraw/zinc/37/53/71/1051375371.db2.gz FJSMMOLWOSBYEJ-HNNXBMFYSA-N 1 1 349.659 4.270 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001191132788 1051376504 /nfs/dbraw/zinc/37/65/04/1051376504.db2.gz MOKUOMBTBJKEHN-AWEZNQCLSA-N 1 1 338.879 4.354 20 30 EIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001191180994 1051391098 /nfs/dbraw/zinc/39/10/98/1051391098.db2.gz CKYVNBQTBJIJFZ-HSQYWUDLSA-N 1 1 334.463 4.373 20 30 EIEDMO CCOc1ccc(C)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175122653 1051394056 /nfs/dbraw/zinc/39/40/56/1051394056.db2.gz GTXOLRPEEUMNKZ-UHFFFAOYSA-N 1 1 327.453 4.058 20 30 EIEDMO C#CC[N@H+](CC#CC)Cc1cccc2c(Br)cccc12 ZINC001191244257 1051408451 /nfs/dbraw/zinc/40/84/51/1051408451.db2.gz HQBFJNHPAXVIMC-UHFFFAOYSA-N 1 1 326.237 4.061 20 30 EIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001191266816 1051410639 /nfs/dbraw/zinc/41/06/39/1051410639.db2.gz ADNNIUJEBVELIV-OAQYLSRUSA-N 1 1 349.478 4.148 20 30 EIEDMO CCCC[N@@H+](CC)[C@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234832 1051431467 /nfs/dbraw/zinc/43/14/67/1051431467.db2.gz GPJROZXWYQAHKE-FPOVZHCZSA-N 1 1 343.515 4.294 20 30 EIEDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001191454398 1051447751 /nfs/dbraw/zinc/44/77/51/1051447751.db2.gz NURTVQYOAXCMPG-WIYYLYMNSA-N 1 1 347.462 4.012 20 30 EIEDMO CCN(CC)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC001191426179 1051455913 /nfs/dbraw/zinc/45/59/13/1051455913.db2.gz ARMZBJURCPSLAV-UHFFFAOYSA-N 1 1 329.532 4.288 20 30 EIEDMO CCN(CC)CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC001191426179 1051455917 /nfs/dbraw/zinc/45/59/17/1051455917.db2.gz ARMZBJURCPSLAV-UHFFFAOYSA-N 1 1 329.532 4.288 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC001175228991 1051458526 /nfs/dbraw/zinc/45/85/26/1051458526.db2.gz KPFKNFVUERLZKF-LJQANCHMSA-N 1 1 342.389 4.081 20 30 EIEDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC001191463288 1051470372 /nfs/dbraw/zinc/47/03/72/1051470372.db2.gz ALJQCDBZCGFWHN-GFCCVEGCSA-N 1 1 336.407 4.284 20 30 EIEDMO C=C1CC=C(F)C=C1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182342841 1051511293 /nfs/dbraw/zinc/51/12/93/1051511293.db2.gz GCUMPCSVPVDORG-SFHVURJKSA-N 1 1 340.442 4.020 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC001191741253 1051537037 /nfs/dbraw/zinc/53/70/37/1051537037.db2.gz IAPDLQWKJJWUKK-VQTJNVASSA-N 1 1 342.389 4.097 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)cc(C#N)c1)CCC2 ZINC001191861879 1051560839 /nfs/dbraw/zinc/56/08/39/1051560839.db2.gz NPEMHTCURYJPQH-MRXNPFEDSA-N 1 1 331.872 4.486 20 30 EIEDMO Brc1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774365568 1051563992 /nfs/dbraw/zinc/56/39/92/1051563992.db2.gz SGLBBTUHCTUMLS-UHFFFAOYSA-N 1 1 330.229 4.471 20 30 EIEDMO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)cc1O ZINC001182501104 1051619176 /nfs/dbraw/zinc/61/91/76/1051619176.db2.gz YUPIBEZIEIAXCQ-LBPRGKRZSA-N 1 1 330.815 4.119 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)cc1O ZINC001182501104 1051619181 /nfs/dbraw/zinc/61/91/81/1051619181.db2.gz YUPIBEZIEIAXCQ-LBPRGKRZSA-N 1 1 330.815 4.119 20 30 EIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172326 1051645436 /nfs/dbraw/zinc/64/54/36/1051645436.db2.gz BGMWAEDQKIBEAG-KSSFIOAISA-N 1 1 347.890 4.441 20 30 EIEDMO FC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001204158461 1051681956 /nfs/dbraw/zinc/68/19/56/1051681956.db2.gz SLXPBMGGGSVJBV-ZYHUDNBSSA-N 1 1 329.259 4.285 20 30 EIEDMO CCc1cccc(Cl)c1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001182865096 1051726282 /nfs/dbraw/zinc/72/62/82/1051726282.db2.gz RPMJVOYOIKNFGA-UHFFFAOYSA-N 1 1 345.899 4.158 20 30 EIEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC001183065702 1051780541 /nfs/dbraw/zinc/78/05/41/1051780541.db2.gz ONCSMSFURBSKKM-INIZCTEOSA-N 1 1 341.401 4.389 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000158991954 1051803001 /nfs/dbraw/zinc/80/30/01/1051803001.db2.gz KQQQGBIALIJBHW-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO Cc1c(Cl)c(C#N)ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175865089 1051826898 /nfs/dbraw/zinc/82/68/98/1051826898.db2.gz LZWXXTNBRCNSEF-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919499 1051833035 /nfs/dbraw/zinc/83/30/35/1051833035.db2.gz VABALRIJMVTPMI-ROUUACIJSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919499 1051833038 /nfs/dbraw/zinc/83/30/38/1051833038.db2.gz VABALRIJMVTPMI-ROUUACIJSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919499 1051833040 /nfs/dbraw/zinc/83/30/40/1051833040.db2.gz VABALRIJMVTPMI-ROUUACIJSA-N 1 1 333.479 4.140 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1 ZINC001193069950 1051861443 /nfs/dbraw/zinc/86/14/43/1051861443.db2.gz ORKNFJRSHXJXDZ-QHCPKHFHSA-N 1 1 346.474 4.094 20 30 EIEDMO N#Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1C1CC1 ZINC001176011226 1051873640 /nfs/dbraw/zinc/87/36/40/1051873640.db2.gz TYHXYIBKQRULAV-INIZCTEOSA-N 1 1 337.467 4.029 20 30 EIEDMO COc1cccc(-c2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)co2)c1 ZINC001176053522 1051896153 /nfs/dbraw/zinc/89/61/53/1051896153.db2.gz XJIQXNARFOZGCP-AWEZNQCLSA-N 1 1 333.391 4.073 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC[C@H](C)C2)c1 ZINC001193516537 1051943201 /nfs/dbraw/zinc/94/32/01/1051943201.db2.gz CYDUJDALETUSQH-QFBILLFUSA-N 1 1 341.499 4.061 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234923 1051968135 /nfs/dbraw/zinc/96/81/35/1051968135.db2.gz LLTNRFUUSBZSDE-RHSMWYFYSA-N 1 1 337.492 4.444 20 30 EIEDMO CC1(C)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC001193955480 1052032112 /nfs/dbraw/zinc/03/21/12/1052032112.db2.gz OFBMFJXGISXPLU-UHFFFAOYSA-N 1 1 327.415 4.274 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001193943388 1052045043 /nfs/dbraw/zinc/04/50/43/1052045043.db2.gz WBAFUAIZOUQKSQ-FPOVZHCZSA-N 1 1 326.484 4.075 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001193943388 1052045056 /nfs/dbraw/zinc/04/50/56/1052045056.db2.gz WBAFUAIZOUQKSQ-FPOVZHCZSA-N 1 1 326.484 4.075 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)c3ccccc23)n1 ZINC001194008693 1052046822 /nfs/dbraw/zinc/04/68/22/1052046822.db2.gz KYZBVADTBAWTFM-UHFFFAOYSA-N 1 1 337.854 4.345 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)c3ccccc23)n1 ZINC001194008693 1052046829 /nfs/dbraw/zinc/04/68/29/1052046829.db2.gz KYZBVADTBAWTFM-UHFFFAOYSA-N 1 1 337.854 4.345 20 30 EIEDMO CCCCCCCOC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001193994048 1052057737 /nfs/dbraw/zinc/05/77/37/1052057737.db2.gz KLANYTZAYSRRQA-UHFFFAOYSA-N 1 1 335.473 4.127 20 30 EIEDMO CCCCCCCOC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001193994048 1052057751 /nfs/dbraw/zinc/05/77/51/1052057751.db2.gz KLANYTZAYSRRQA-UHFFFAOYSA-N 1 1 335.473 4.127 20 30 EIEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814695 1052195998 /nfs/dbraw/zinc/19/59/98/1052195998.db2.gz PAJCWQMIUSOMSS-SJLPKXTDSA-N 1 1 336.435 4.456 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814695 1052196003 /nfs/dbraw/zinc/19/60/03/1052196003.db2.gz PAJCWQMIUSOMSS-SJLPKXTDSA-N 1 1 336.435 4.456 20 30 EIEDMO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001176823690 1052196015 /nfs/dbraw/zinc/19/60/15/1052196015.db2.gz NVEOVCVKYOWICT-CQSZACIVSA-N 1 1 331.375 4.470 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCC=CO2)cc1 ZINC000774845026 1052201142 /nfs/dbraw/zinc/20/11/42/1052201142.db2.gz HAZBRBQEMFVHEU-NRFANRHFSA-N 1 1 336.410 4.392 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000072692800 1052569770 /nfs/dbraw/zinc/56/97/70/1052569770.db2.gz DGOVQIKNFZTURE-UHFFFAOYSA-N 1 1 341.499 4.074 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000072692800 1052569778 /nfs/dbraw/zinc/56/97/78/1052569778.db2.gz DGOVQIKNFZTURE-UHFFFAOYSA-N 1 1 341.499 4.074 20 30 EIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961157 1052683518 /nfs/dbraw/zinc/68/35/18/1052683518.db2.gz CGZMKHVAPQAYNJ-REWPJTCUSA-N 1 1 348.490 4.280 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ccc(CO)o2)C(C)(C)C)cc1 ZINC000179722766 1052750544 /nfs/dbraw/zinc/75/05/44/1052750544.db2.gz DUUFRULASHJQMB-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO N#Cc1cccc(COc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000272913983 1052786088 /nfs/dbraw/zinc/78/60/88/1052786088.db2.gz RXZNMFAWDNMTRH-RTWAWAEBSA-N 1 1 347.462 4.176 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)ccc1OC ZINC000183256044 1052968102 /nfs/dbraw/zinc/96/81/02/1052968102.db2.gz PDFZTIUCYCYACW-HNNXBMFYSA-N 1 1 346.496 4.342 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000863851243 1053085938 /nfs/dbraw/zinc/08/59/38/1053085938.db2.gz NAKKCFUVBWZIJA-GOSISDBHSA-N 1 1 343.515 4.148 20 30 EIEDMO C=C(CC)C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001194816602 1053112455 /nfs/dbraw/zinc/11/24/55/1053112455.db2.gz AWDDSWJYJNJXIJ-OAHLLOKOSA-N 1 1 335.797 4.074 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794665350 1053240407 /nfs/dbraw/zinc/24/04/07/1053240407.db2.gz XGNYCEBVAKYAST-BLLLJJGKSA-N 1 1 343.389 4.292 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000764746706 1053290378 /nfs/dbraw/zinc/29/03/78/1053290378.db2.gz QNXWWWLTYOZUAP-CVDCTZTESA-N 1 1 348.490 4.186 20 30 EIEDMO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000383104427 1053294870 /nfs/dbraw/zinc/29/48/70/1053294870.db2.gz FVHLBNNLQLCURK-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1CCN(CCCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000383104427 1053294897 /nfs/dbraw/zinc/29/48/97/1053294897.db2.gz FVHLBNNLQLCURK-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1CCN(CCCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000383104427 1053294930 /nfs/dbraw/zinc/29/49/30/1053294930.db2.gz FVHLBNNLQLCURK-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H](c1cccc2ccccc21)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877115 1053513064 /nfs/dbraw/zinc/51/30/64/1053513064.db2.gz RBWQGHVRRRUACG-ZHRRBRCNSA-N 1 1 330.431 4.438 20 30 EIEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000852102327 1053552623 /nfs/dbraw/zinc/55/26/23/1053552623.db2.gz LJFGAWXCSMMENM-QFYYESIMSA-N 1 1 338.238 4.496 20 30 EIEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300426 1053565524 /nfs/dbraw/zinc/56/55/24/1053565524.db2.gz HXDSBDRTZVTOQL-SJLPKXTDSA-N 1 1 349.519 4.038 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000852325852 1053569112 /nfs/dbraw/zinc/56/91/12/1053569112.db2.gz JYVAUQRPOKQOAE-JOCHJYFZSA-N 1 1 327.431 4.292 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000852325852 1053569127 /nfs/dbraw/zinc/56/91/27/1053569127.db2.gz JYVAUQRPOKQOAE-JOCHJYFZSA-N 1 1 327.431 4.292 20 30 EIEDMO C=CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)COC ZINC001196048024 1053570930 /nfs/dbraw/zinc/57/09/30/1053570930.db2.gz LMFZDHRJBIDWDE-FQEVSTJZSA-N 1 1 348.490 4.409 20 30 EIEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564111 1053589797 /nfs/dbraw/zinc/58/97/97/1053589797.db2.gz LLFWWQMLTXLILC-UGSOOPFHSA-N 1 1 346.883 4.278 20 30 EIEDMO C[C@@H](C#N)OCC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564111 1053589799 /nfs/dbraw/zinc/58/97/99/1053589799.db2.gz LLFWWQMLTXLILC-UGSOOPFHSA-N 1 1 346.883 4.278 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852594839 1053593024 /nfs/dbraw/zinc/59/30/24/1053593024.db2.gz DGCMFKIMNLTCDM-MAUKXSAKSA-N 1 1 348.874 4.023 20 30 EIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCOCCC#N)C1CC1 ZINC000338952881 1053610419 /nfs/dbraw/zinc/61/04/19/1053610419.db2.gz GZUPQJCSQIOGKS-ZDUSSCGKSA-N 1 1 326.362 4.161 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000120788144 1053614350 /nfs/dbraw/zinc/61/43/50/1053614350.db2.gz ZHKLKVQIAVJNJF-AWEZNQCLSA-N 1 1 337.448 4.219 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000120788144 1053614358 /nfs/dbraw/zinc/61/43/58/1053614358.db2.gz ZHKLKVQIAVJNJF-AWEZNQCLSA-N 1 1 337.448 4.219 20 30 EIEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853288433 1053664319 /nfs/dbraw/zinc/66/43/19/1053664319.db2.gz BJVGCTIKKTYCRN-UHFFFAOYSA-N 1 1 343.858 4.056 20 30 EIEDMO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615742 1053712622 /nfs/dbraw/zinc/71/26/22/1053712622.db2.gz XTJZNJDVUUDDML-OAHLLOKOSA-N 1 1 344.817 4.349 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615742 1053712633 /nfs/dbraw/zinc/71/26/33/1053712633.db2.gz XTJZNJDVUUDDML-OAHLLOKOSA-N 1 1 344.817 4.349 20 30 EIEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC001196810102 1053762933 /nfs/dbraw/zinc/76/29/33/1053762933.db2.gz ZXYRKQAGQFQJSU-CQSZACIVSA-N 1 1 347.890 4.298 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1 ZINC001196984102 1053817403 /nfs/dbraw/zinc/81/74/03/1053817403.db2.gz XSIYCYNVKJGPFO-QGZVFWFLSA-N 1 1 349.865 4.447 20 30 EIEDMO CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CC[N@H+]1CCOCCC#N ZINC001197051935 1053824914 /nfs/dbraw/zinc/82/49/14/1053824914.db2.gz OLKXDKPWDZOAPY-MRXNPFEDSA-N 1 1 340.389 4.204 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121779002 1053848282 /nfs/dbraw/zinc/84/82/82/1053848282.db2.gz LLSPOUMBOVUFHF-IEBWSBKVSA-N 1 1 342.414 4.159 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001197212123 1053853915 /nfs/dbraw/zinc/85/39/15/1053853915.db2.gz HDADGJFMRKBWJZ-MRXNPFEDSA-N 1 1 338.426 4.476 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121955790 1053862771 /nfs/dbraw/zinc/86/27/71/1053862771.db2.gz ZNSDNWSCYQLILB-RTBURBONSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121955790 1053862776 /nfs/dbraw/zinc/86/27/76/1053862776.db2.gz ZNSDNWSCYQLILB-RTBURBONSA-N 1 1 342.414 4.159 20 30 EIEDMO CC[C@@]1(CCc2ccccc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC001197357767 1053881665 /nfs/dbraw/zinc/88/16/65/1053881665.db2.gz DJFJMTIHYRCDLH-IBGZPJMESA-N 1 1 325.481 4.392 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130774006 1053925819 /nfs/dbraw/zinc/92/58/19/1053925819.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130774006 1053925833 /nfs/dbraw/zinc/92/58/33/1053925833.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130774006 1053925841 /nfs/dbraw/zinc/92/58/41/1053925841.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001197978068 1054049043 /nfs/dbraw/zinc/04/90/43/1054049043.db2.gz FMEUFPCEIKJTBO-QFIPXVFZSA-N 1 1 342.446 4.046 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001197978068 1054049050 /nfs/dbraw/zinc/04/90/50/1054049050.db2.gz FMEUFPCEIKJTBO-QFIPXVFZSA-N 1 1 342.446 4.046 20 30 EIEDMO Cc1c(C#N)cccc1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000509493892 1054093013 /nfs/dbraw/zinc/09/30/13/1054093013.db2.gz JMLJZAIURQPLJF-UHFFFAOYSA-N 1 1 347.462 4.481 20 30 EIEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000509499182 1054203351 /nfs/dbraw/zinc/20/33/51/1054203351.db2.gz JLKRWFHSAZICPV-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000509499182 1054203370 /nfs/dbraw/zinc/20/33/70/1054203370.db2.gz JLKRWFHSAZICPV-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014460 1054439124 /nfs/dbraw/zinc/43/91/24/1054439124.db2.gz RTFXJXFOCHCEII-WMLDXEAASA-N 1 1 325.374 4.252 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC001168579254 1054442016 /nfs/dbraw/zinc/44/20/16/1054442016.db2.gz HXMZORNUOJRHGB-UHFFFAOYSA-N 1 1 337.341 4.255 20 30 EIEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CC(C)C)CC(C)(C)C ZINC000124551760 1054543153 /nfs/dbraw/zinc/54/31/53/1054543153.db2.gz XZZPGXRURLLPPW-UHFFFAOYSA-N 1 1 339.487 4.087 20 30 EIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCOCCC#N ZINC000339018867 1054686582 /nfs/dbraw/zinc/68/65/82/1054686582.db2.gz JLJKHZPMXSENJD-HNNXBMFYSA-N 1 1 329.469 4.042 20 30 EIEDMO CCCCOc1ccc([NH+]=C(NO)c2ccccc2N)cc1Cl ZINC001201480539 1054830942 /nfs/dbraw/zinc/83/09/42/1054830942.db2.gz MFFCTVNUHJJNPV-UHFFFAOYSA-N 1 1 333.819 4.158 20 30 EIEDMO COc1cc(C#N)cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201483331 1054833094 /nfs/dbraw/zinc/83/30/94/1054833094.db2.gz VTAMYAQPNIUJQK-RTWAWAEBSA-N 1 1 345.446 4.300 20 30 EIEDMO C[N@H+]1CCc2ccc(Nc3ccc(C(F)(F)F)cc3C#N)cc2C1 ZINC001201699078 1054880658 /nfs/dbraw/zinc/88/06/58/1054880658.db2.gz IBAIUXBJYVPXBY-UHFFFAOYSA-N 1 1 331.341 4.309 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001201798229 1054909386 /nfs/dbraw/zinc/90/93/86/1054909386.db2.gz RPLOFZSNLMDGDD-MRXNPFEDSA-N 1 1 332.463 4.216 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001201815147 1054914853 /nfs/dbraw/zinc/91/48/53/1054914853.db2.gz XMPBVZBBWFYJDT-FQEVSTJZSA-N 1 1 330.520 4.129 20 30 EIEDMO CCCCCCC[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776868 1054917291 /nfs/dbraw/zinc/91/72/91/1054917291.db2.gz OJNQMVDOPWUIMN-QHAWAJNXSA-N 1 1 346.515 4.048 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201852969 1054924266 /nfs/dbraw/zinc/92/42/66/1054924266.db2.gz VHOPHPUOTYFBRP-UHFFFAOYSA-N 1 1 332.414 4.253 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201852969 1054924280 /nfs/dbraw/zinc/92/42/80/1054924280.db2.gz VHOPHPUOTYFBRP-UHFFFAOYSA-N 1 1 332.414 4.253 20 30 EIEDMO C#CCOc1ccc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cc1 ZINC001201865049 1054924877 /nfs/dbraw/zinc/92/48/77/1054924877.db2.gz IEKPIGMWANCALK-UHFFFAOYSA-N 1 1 347.462 4.495 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201839724 1054932178 /nfs/dbraw/zinc/93/21/78/1054932178.db2.gz QERFSQXQWMXYOA-SFTDATJTSA-N 1 1 346.515 4.444 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H](OCC)[C@@H]1Cc1cnn(C)c1 ZINC001201846808 1054934414 /nfs/dbraw/zinc/93/44/14/1054934414.db2.gz LYQXOUZTHNONHL-PMACEKPBSA-N 1 1 335.536 4.193 20 30 EIEDMO CCCCCCCCCC[N@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001201874842 1054940662 /nfs/dbraw/zinc/94/06/62/1054940662.db2.gz IUINAXKBKFPWHU-GBESFXJTSA-N 1 1 349.519 4.151 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCCn2nnc(COCC)c2C1 ZINC001201875278 1054941193 /nfs/dbraw/zinc/94/11/93/1054941193.db2.gz TUVZCTFPBCCKFX-UHFFFAOYSA-N 1 1 336.524 4.161 20 30 EIEDMO CC(C)=CCC[C@H](C)CC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201980703 1054956459 /nfs/dbraw/zinc/95/64/59/1054956459.db2.gz FOCZWYLGXMAIHB-IBGZPJMESA-N 1 1 340.515 4.238 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876793200 1054959572 /nfs/dbraw/zinc/95/95/72/1054959572.db2.gz IWHIPGZQHJLPTI-WMZOPIPTSA-N 1 1 328.481 4.224 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000876912286 1054980630 /nfs/dbraw/zinc/98/06/30/1054980630.db2.gz SZVDPGICJLQOHI-CQSZACIVSA-N 1 1 333.819 4.072 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000876906335 1054981886 /nfs/dbraw/zinc/98/18/86/1054981886.db2.gz WRQDAIOAIVPQDX-CQSZACIVSA-N 1 1 333.819 4.072 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@H](C)COC)cc1)c1ccc(Cl)cc1 ZINC000825948802 1055035246 /nfs/dbraw/zinc/03/52/46/1055035246.db2.gz KMPQGUYRABUZJE-FOIQADDNSA-N 1 1 343.854 4.218 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1 ZINC001137120618 1055060865 /nfs/dbraw/zinc/06/08/65/1055060865.db2.gz XACJPBKXIHFXAJ-INIZCTEOSA-N 1 1 326.827 4.232 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)s1)c1nc2cc(Cl)ccc2o1 ZINC000877668817 1055103484 /nfs/dbraw/zinc/10/34/84/1055103484.db2.gz OSULHWDYNLISLV-UHFFFAOYSA-N 1 1 331.828 4.439 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCOCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045549 1055113166 /nfs/dbraw/zinc/11/31/66/1055113166.db2.gz UVHSTENFIIFPDQ-CZUORRHYSA-N 1 1 326.362 4.019 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000877902685 1055148132 /nfs/dbraw/zinc/14/81/32/1055148132.db2.gz DYAFGKQDBUMNEY-SFHVURJKSA-N 1 1 346.883 4.274 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000877902685 1055148134 /nfs/dbraw/zinc/14/81/34/1055148134.db2.gz DYAFGKQDBUMNEY-SFHVURJKSA-N 1 1 346.883 4.274 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903635 1055148918 /nfs/dbraw/zinc/14/89/18/1055148918.db2.gz ZILHSWGVTIEIMZ-AZUAARDMSA-N 1 1 338.476 4.326 20 30 EIEDMO C#CCCCCC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877931521 1055156856 /nfs/dbraw/zinc/15/68/56/1055156856.db2.gz BMNBWRDHCQYMOW-UHFFFAOYSA-N 1 1 340.389 4.159 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942061 1055158685 /nfs/dbraw/zinc/15/86/85/1055158685.db2.gz URFSQDLUVLEHRE-FQEVSTJZSA-N 1 1 340.854 4.212 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942061 1055158691 /nfs/dbraw/zinc/15/86/91/1055158691.db2.gz URFSQDLUVLEHRE-FQEVSTJZSA-N 1 1 340.854 4.212 20 30 EIEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000794494453 1055159470 /nfs/dbraw/zinc/15/94/70/1055159470.db2.gz UKFXSWPGJAKTAR-UHFFFAOYSA-N 1 1 332.329 4.089 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1cccs1)C(C)C)c1ccccc1 ZINC000877993927 1055171684 /nfs/dbraw/zinc/17/16/84/1055171684.db2.gz HJDRDUXMWSZJGJ-FQEVSTJZSA-N 1 1 340.492 4.399 20 30 EIEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126908310 1055187862 /nfs/dbraw/zinc/18/78/62/1055187862.db2.gz BSDYCCKEHNHDFM-LJQANCHMSA-N 1 1 334.419 4.032 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106010 1055189557 /nfs/dbraw/zinc/18/95/57/1055189557.db2.gz JUCPCFWDSAOUFF-VXKWHMMOSA-N 1 1 336.479 4.249 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120921 1055191612 /nfs/dbraw/zinc/19/16/12/1055191612.db2.gz PGLSVHYKFCWZOH-XXBNENTESA-N 1 1 348.490 4.299 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C)c1ccccc1 ZINC000878176979 1055200354 /nfs/dbraw/zinc/20/03/54/1055200354.db2.gz QPFKZACNNVJTFO-SXSPYAJSSA-N 1 1 346.474 4.305 20 30 EIEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000301159160 1055901752 /nfs/dbraw/zinc/90/17/52/1055901752.db2.gz SMTAIHUEWKLOGI-OAHLLOKOSA-N 1 1 329.444 4.083 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000301405268 1055932095 /nfs/dbraw/zinc/93/20/95/1055932095.db2.gz GDIMMULOIDHUCX-ACJLOTCBSA-N 1 1 329.444 4.254 20 30 EIEDMO C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301510646 1055944233 /nfs/dbraw/zinc/94/42/33/1055944233.db2.gz BHNKUKHPGIYWCU-GOEBONIOSA-N 1 1 340.858 4.072 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061527 1056013233 /nfs/dbraw/zinc/01/32/33/1056013233.db2.gz RHUWWILXFWBYEY-ZWKOTPCHSA-N 1 1 348.494 4.197 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134387 1056021081 /nfs/dbraw/zinc/02/10/81/1056021081.db2.gz ZJTYQQKSSAOKAZ-IERDGZPVSA-N 1 1 347.462 4.226 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000302840026 1056077147 /nfs/dbraw/zinc/07/71/47/1056077147.db2.gz ZVFZHTJZXFPCDF-ZWKOTPCHSA-N 1 1 347.796 4.347 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2c(C#N)cccc2C#N)cc1 ZINC000302855308 1056079626 /nfs/dbraw/zinc/07/96/26/1056079626.db2.gz ROVIJJBFAXEKML-QGZVFWFLSA-N 1 1 344.462 4.416 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057847826 1056383491 /nfs/dbraw/zinc/38/34/91/1056383491.db2.gz XVKLUGYLANMFCP-LBPRGKRZSA-N 1 1 329.271 4.069 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000111172546 1056763728 /nfs/dbraw/zinc/76/37/28/1056763728.db2.gz ADSNSACSSIKTID-UHFFFAOYSA-N 1 1 333.863 4.193 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000743842653 1059136499 /nfs/dbraw/zinc/13/64/99/1059136499.db2.gz JJEXYQIWYULEND-LIRRHRJNSA-N 1 1 328.843 4.328 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743842793 1059174789 /nfs/dbraw/zinc/17/47/89/1059174789.db2.gz JMTOBYSHHMOZHY-LJQANCHMSA-N 1 1 328.843 4.156 20 30 EIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869124 1059184460 /nfs/dbraw/zinc/18/44/60/1059184460.db2.gz LSCYMGCTQGEDOK-CVEARBPZSA-N 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CCn1c2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000536637802 1032244252 /nfs/dbraw/zinc/24/42/52/1032244252.db2.gz QHWMXMQVSCZBJL-UHFFFAOYSA-N 1 1 332.451 4.338 20 30 EIEDMO CCn1c2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000536637802 1032244269 /nfs/dbraw/zinc/24/42/69/1032244269.db2.gz QHWMXMQVSCZBJL-UHFFFAOYSA-N 1 1 332.451 4.338 20 30 EIEDMO COc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C#N ZINC000532730817 1032282280 /nfs/dbraw/zinc/28/22/80/1032282280.db2.gz ISHBJAACTZSCJY-QGZVFWFLSA-N 1 1 349.478 4.411 20 30 EIEDMO Cc1cccc(NC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000532731351 1032283284 /nfs/dbraw/zinc/28/32/84/1032283284.db2.gz LDCUYWCNSHHOLV-UHFFFAOYSA-N 1 1 344.462 4.196 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340638 1032283803 /nfs/dbraw/zinc/28/38/03/1032283803.db2.gz AYHZVJXCEFZEOV-MRXNPFEDSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340638 1032283825 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347.890 4.016 20 30 EIEDMO C=CCN1CCC([NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000177912966 1032514032 /nfs/dbraw/zinc/51/40/32/1032514032.db2.gz BMBQNDGYEUZZSW-HNNXBMFYSA-N 1 1 327.497 4.111 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)C ZINC000533251069 1032565263 /nfs/dbraw/zinc/56/52/63/1032565263.db2.gz ANECTWMQKGSEKC-INIZCTEOSA-N 1 1 347.528 4.245 20 30 EIEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000533424264 1032749839 /nfs/dbraw/zinc/74/98/39/1032749839.db2.gz MRYRBSUPLRFOGW-LLVKDONJSA-N 1 1 327.255 4.218 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429577266 1032787009 /nfs/dbraw/zinc/78/70/09/1032787009.db2.gz FDHWYZSGPBMAIK-OWCLPIDISA-N 1 1 345.512 4.140 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC(C)(C)C1 ZINC000577687192 1018891286 /nfs/dbraw/zinc/89/12/86/1018891286.db2.gz MRFDPSXLEGPKEQ-HNNXBMFYSA-N 1 1 340.389 4.357 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533483309 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328.362 4.252 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000429827810 1032848460 /nfs/dbraw/zinc/84/84/60/1032848460.db2.gz MPPHOFYIIVHMOB-UHFFFAOYSA-N 1 1 337.423 4.168 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000339657955 1019781464 /nfs/dbraw/zinc/78/14/64/1019781464.db2.gz JHQBNFMGIBULTQ-GOSISDBHSA-N 1 1 348.425 4.020 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c(OC(F)F)c1 ZINC001167086213 1019815200 /nfs/dbraw/zinc/81/52/00/1019815200.db2.gz YKZMFJCXAJSPSE-UHFFFAOYSA-N 1 1 346.352 4.463 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c(OC(F)F)c1 ZINC001167086213 1019815207 /nfs/dbraw/zinc/81/52/07/1019815207.db2.gz YKZMFJCXAJSPSE-UHFFFAOYSA-N 1 1 346.352 4.463 20 30 EIEDMO Cn1cc(C[N@H+]2CCC3(C2)CCCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180199834 1020078592 /nfs/dbraw/zinc/07/85/92/1020078592.db2.gz KQXBNVKDWTWVFD-UHFFFAOYSA-N 1 1 334.467 4.115 20 30 EIEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209438907 1020341114 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FC[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC001204483228 1020729195 /nfs/dbraw/zinc/72/91/95/1020729195.db2.gz XTAXZMPXUWAJGB-MWLCHTKSSA-N 1 1 347.249 4.424 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 ZINC000177617015 1021008374 /nfs/dbraw/zinc/00/83/74/1021008374.db2.gz VBSJNTQFRMVOLX-KRXBUXKQSA-N 1 1 330.387 4.012 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000165458639 1021082385 /nfs/dbraw/zinc/08/23/85/1021082385.db2.gz PGNVKGRZKPVOQN-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000376095924 1021431421 /nfs/dbraw/zinc/43/14/21/1021431421.db2.gz JYOLIHMRLJDRKM-IAGOWNOFSA-N 1 1 349.519 4.038 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071444 1021458404 /nfs/dbraw/zinc/45/84/04/1021458404.db2.gz AKFYQXHXRCXDKQ-HNNXBMFYSA-N 1 1 331.847 4.008 20 30 EIEDMO Oc1cccc(C[N@@H+](CC#Cc2ccccc2Cl)CC2CC2)c1 ZINC001167353154 1021648056 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20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000472562677 1022258302 /nfs/dbraw/zinc/25/83/02/1022258302.db2.gz IWMAXBNOTAQASZ-APWZRJJASA-N 1 1 327.472 4.081 20 30 EIEDMO N#Cc1cc(F)c(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310863670 1022488005 /nfs/dbraw/zinc/48/80/05/1022488005.db2.gz DEPPLCVPNIXLQL-MRXNPFEDSA-N 1 1 341.405 4.161 20 30 EIEDMO CC(C)[C@@H](C#N)OC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000181532609 1022670329 /nfs/dbraw/zinc/67/03/29/1022670329.db2.gz ZTBUPPUDJOUPSD-HXUWFJFHSA-N 1 1 336.435 4.024 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C)n3c2CCCC3)cc1Cl ZINC000378402709 1022803747 /nfs/dbraw/zinc/80/37/47/1022803747.db2.gz ZIPULMKCQAXTRV-UHFFFAOYSA-N 1 1 345.874 4.036 20 30 EIEDMO C=CCOc1ccc(CNCc2[nH+]c(C)n3c2CCCC3)cc1Cl ZINC000378402709 1022803755 /nfs/dbraw/zinc/80/37/55/1022803755.db2.gz ZIPULMKCQAXTRV-UHFFFAOYSA-N 1 1 345.874 4.036 20 30 EIEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCCC(C)(C)C#N ZINC000376499086 1022847175 /nfs/dbraw/zinc/84/71/75/1022847175.db2.gz BBSZVBCCSLBJKP-OAHLLOKOSA-N 1 1 329.492 4.032 20 30 EIEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCCC(C)(C)C#N ZINC000376499086 1022847186 /nfs/dbraw/zinc/84/71/86/1022847186.db2.gz BBSZVBCCSLBJKP-OAHLLOKOSA-N 1 1 329.492 4.032 20 30 EIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)cs3)c2C1 ZINC000177038325 1022864827 /nfs/dbraw/zinc/86/48/27/1022864827.db2.gz AVGJHNYTAOGYRV-UHFFFAOYSA-N 1 1 339.464 4.234 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000566340487 1022881385 /nfs/dbraw/zinc/88/13/85/1022881385.db2.gz ALDUPLUKDRPJEC-UHFFFAOYSA-N 1 1 336.279 4.351 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000181129877 1022892429 /nfs/dbraw/zinc/89/24/29/1022892429.db2.gz HFZHZJOSXXYIHQ-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832960 1022895891 /nfs/dbraw/zinc/89/58/91/1022895891.db2.gz LSQNHHONNQFJCB-SFHVURJKSA-N 1 1 348.918 4.413 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001143537782 1033089522 /nfs/dbraw/zinc/08/95/22/1033089522.db2.gz CKNBCYCIMQLBAD-UHFFFAOYSA-N 1 1 345.258 4.499 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172321 1023174932 /nfs/dbraw/zinc/17/49/32/1023174932.db2.gz OLAFYXNKHZSTKG-MRXNPFEDSA-N 1 1 347.418 4.088 20 30 EIEDMO C=CCCCCC[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001167461358 1023208871 /nfs/dbraw/zinc/20/88/71/1023208871.db2.gz GAIDXPKYIOTBBC-UHFFFAOYSA-N 1 1 329.440 4.158 20 30 EIEDMO COc1ccccc1CCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167464070 1023235697 /nfs/dbraw/zinc/23/56/97/1023235697.db2.gz FKUPGXZBVIUVIN-SFTDATJTSA-N 1 1 334.463 4.400 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1cc(OC)no1)c1ccc(C(F)(F)F)cc1 ZINC000660203526 1023298179 /nfs/dbraw/zinc/29/81/79/1023298179.db2.gz DIVWNFMMALRPCY-HNNXBMFYSA-N 1 1 340.345 4.499 20 30 EIEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000380370856 1023315252 /nfs/dbraw/zinc/31/52/52/1023315252.db2.gz MIQLEECHGSNJIC-ZDUSSCGKSA-N 1 1 329.241 4.480 20 30 EIEDMO C[NH+](C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518571 1023323972 /nfs/dbraw/zinc/32/39/72/1023323972.db2.gz IWXUYVQSZZOAIB-UXHICEINSA-N 1 1 339.870 4.091 20 30 EIEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000511638820 1023387846 /nfs/dbraw/zinc/38/78/46/1023387846.db2.gz CGDMRUVMFWVJDF-RNJSZURPSA-N 1 1 344.458 4.080 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000053331743 1023394390 /nfs/dbraw/zinc/39/43/90/1023394390.db2.gz HVBCSIBNQXDFBC-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000053331743 1023394396 /nfs/dbraw/zinc/39/43/96/1023394396.db2.gz HVBCSIBNQXDFBC-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO N#Cc1ccc(CNc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000301076537 1023400138 /nfs/dbraw/zinc/40/01/38/1023400138.db2.gz COIIWQDGGITOKQ-UHFFFAOYSA-N 1 1 338.208 4.481 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000472759274 1023511346 /nfs/dbraw/zinc/51/13/46/1023511346.db2.gz JXLFKPCTMPCLPU-QGZVFWFLSA-N 1 1 331.481 4.086 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377395143 1023511647 /nfs/dbraw/zinc/51/16/47/1023511647.db2.gz ATVYARGZMZNLSR-IAGOWNOFSA-N 1 1 346.434 4.014 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(-n2cccn2)c1 ZINC000187428484 1023566643 /nfs/dbraw/zinc/56/66/43/1023566643.db2.gz IUIWHHIYIITSEE-CQSZACIVSA-N 1 1 336.826 4.248 20 30 EIEDMO CC[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C#N)cc1 ZINC000278830923 1023572042 /nfs/dbraw/zinc/57/20/42/1023572042.db2.gz TXZDVGZNKKEROO-SFHVURJKSA-N 1 1 327.428 4.102 20 30 EIEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000276479784 1023576368 /nfs/dbraw/zinc/57/63/68/1023576368.db2.gz SRRXYFDJNJFHAF-NEPJUHHUSA-N 1 1 331.485 4.091 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1F ZINC000511524752 1023590019 /nfs/dbraw/zinc/59/00/19/1023590019.db2.gz JNUYLZNFHVLYAU-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1F ZINC000511524752 1023590027 /nfs/dbraw/zinc/59/00/27/1023590027.db2.gz JNUYLZNFHVLYAU-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO CCOc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1OC(F)F ZINC000127293051 1023708406 /nfs/dbraw/zinc/70/84/06/1023708406.db2.gz NEVCOFBCMUGQIZ-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1OC(F)F ZINC000127293051 1023708412 /nfs/dbraw/zinc/70/84/12/1023708412.db2.gz NEVCOFBCMUGQIZ-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000581808969 1023722256 /nfs/dbraw/zinc/72/22/56/1023722256.db2.gz CVEAQABHVJIFBM-OXQOHEQNSA-N 1 1 339.389 4.282 20 30 EIEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000566702510 1023757642 /nfs/dbraw/zinc/75/76/42/1023757642.db2.gz HBASZUPAEAYIAQ-QGZVFWFLSA-N 1 1 335.234 4.342 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178948 1023780628 /nfs/dbraw/zinc/78/06/28/1023780628.db2.gz YAYHZWGQIVREAZ-KGVIQGDOSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178948 1023780636 /nfs/dbraw/zinc/78/06/36/1023780636.db2.gz YAYHZWGQIVREAZ-KGVIQGDOSA-N 1 1 333.479 4.262 20 30 EIEDMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341555543 1023871867 /nfs/dbraw/zinc/87/18/67/1023871867.db2.gz AEWYVPQZJTZSCL-UHFFFAOYSA-N 1 1 347.871 4.042 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000124385087 1023940784 /nfs/dbraw/zinc/94/07/84/1023940784.db2.gz FCONMXVORQSHSQ-OAHLLOKOSA-N 1 1 335.517 4.095 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380749 1024080457 /nfs/dbraw/zinc/08/04/57/1024080457.db2.gz OWZHPXRFEZBVIP-OCCSQVGLSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380749 1024080471 /nfs/dbraw/zinc/08/04/71/1024080471.db2.gz OWZHPXRFEZBVIP-OCCSQVGLSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000661378820 1024083583 /nfs/dbraw/zinc/08/35/83/1024083583.db2.gz MVALAJMVQMPFQA-SFHVURJKSA-N 1 1 326.484 4.101 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(Cl)s1 ZINC000541630187 1024466716 /nfs/dbraw/zinc/46/67/16/1024466716.db2.gz FUPJZEYAJGEAIJ-CQSZACIVSA-N 1 1 348.855 4.301 20 30 EIEDMO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OCC(F)(F)F ZINC000091983524 1024707670 /nfs/dbraw/zinc/70/76/70/1024707670.db2.gz JPKHGPAZGMPRTE-ZDUSSCGKSA-N 1 1 344.377 4.008 20 30 EIEDMO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OCC(F)(F)F ZINC000091983524 1024707690 /nfs/dbraw/zinc/70/76/90/1024707690.db2.gz JPKHGPAZGMPRTE-ZDUSSCGKSA-N 1 1 344.377 4.008 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662080204 1024851009 /nfs/dbraw/zinc/85/10/09/1024851009.db2.gz NVMORCQWDOFFRM-ZYSHUDEJSA-N 1 1 326.484 4.321 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000662082429 1024852773 /nfs/dbraw/zinc/85/27/73/1024852773.db2.gz UUHTZFVDDSKYEI-MCIONIFRSA-N 1 1 338.373 4.215 20 30 EIEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499104 1025335232 /nfs/dbraw/zinc/33/52/32/1025335232.db2.gz BVUJKNUJEKODGR-PGRDOPGGSA-N 1 1 334.463 4.453 20 30 EIEDMO CCC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000538306336 1025372352 /nfs/dbraw/zinc/37/23/52/1025372352.db2.gz PQXAICIXFIWZIZ-UHFFFAOYSA-N 1 1 344.462 4.371 20 30 EIEDMO CC(C)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007421474 1025401753 /nfs/dbraw/zinc/40/17/53/1025401753.db2.gz FLLOFOZWESIASN-MRXNPFEDSA-N 1 1 335.451 4.141 20 30 EIEDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007421474 1025401760 /nfs/dbraw/zinc/40/17/60/1025401760.db2.gz FLLOFOZWESIASN-MRXNPFEDSA-N 1 1 335.451 4.141 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C2CC2)cc1 ZINC000506725635 1025488990 /nfs/dbraw/zinc/48/89/90/1025488990.db2.gz IBFJXIZJJXXZOO-CQSZACIVSA-N 1 1 326.465 4.429 20 30 EIEDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000123516570 1025740694 /nfs/dbraw/zinc/74/06/94/1025740694.db2.gz MGVGOFCVHMSRFC-INIZCTEOSA-N 1 1 345.512 4.141 20 30 EIEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000506804018 1025784354 /nfs/dbraw/zinc/78/43/54/1025784354.db2.gz DJCXEWPGQZRVPF-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000585756123 1025823869 /nfs/dbraw/zinc/82/38/69/1025823869.db2.gz HTLBUTRRLLGHTC-JOCHJYFZSA-N 1 1 332.447 4.228 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000512068597 1025873466 /nfs/dbraw/zinc/87/34/66/1025873466.db2.gz SDJQIMHIDZESIO-UHFFFAOYSA-N 1 1 346.409 4.276 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(C)cc1 ZINC001167516998 1025890847 /nfs/dbraw/zinc/89/08/47/1025890847.db2.gz MLHJGEGUAAEIFD-HXUWFJFHSA-N 1 1 327.855 4.055 20 30 EIEDMO CCCCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000728892203 1025935027 /nfs/dbraw/zinc/93/50/27/1025935027.db2.gz SHTKUCMREGAPRL-SFHVURJKSA-N 1 1 346.515 4.261 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533989 1025985831 /nfs/dbraw/zinc/98/58/31/1025985831.db2.gz PKYOEVQEMKTHNF-OALUTQOASA-N 1 1 330.447 4.257 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(Br)c1 ZINC001140545574 1026002708 /nfs/dbraw/zinc/00/27/08/1026002708.db2.gz DUTADOGHJGHHDJ-UHFFFAOYSA-N 1 1 344.256 4.128 20 30 EIEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000277471213 1026127869 /nfs/dbraw/zinc/12/78/69/1026127869.db2.gz JTKDDZAZEKUADV-HKUYNNGSSA-N 1 1 333.435 4.360 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C ZINC000512154752 1026165108 /nfs/dbraw/zinc/16/51/08/1026165108.db2.gz OZSGYLRAOCENLY-JKSUJKDBSA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC(C)C ZINC000512169502 1026208089 /nfs/dbraw/zinc/20/80/89/1026208089.db2.gz XQTNKJAVSQFXRL-UHFFFAOYSA-N 1 1 343.467 4.385 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC(C)C ZINC000512169502 1026208103 /nfs/dbraw/zinc/20/81/03/1026208103.db2.gz XQTNKJAVSQFXRL-UHFFFAOYSA-N 1 1 343.467 4.385 20 30 EIEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512191581 1026331667 /nfs/dbraw/zinc/33/16/67/1026331667.db2.gz NGBWYBMETPPGDC-CQSZACIVSA-N 1 1 345.512 4.092 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279406091 1026414503 /nfs/dbraw/zinc/41/45/03/1026414503.db2.gz MYUPIBDVXAFXMC-YLJYHZDGSA-N 1 1 349.482 4.013 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167561998 1026422928 /nfs/dbraw/zinc/42/29/28/1026422928.db2.gz DGQPEDJXKVKXNT-QZTJIDSGSA-N 1 1 336.520 4.195 20 30 EIEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109792001 1026445865 /nfs/dbraw/zinc/44/58/65/1026445865.db2.gz JMFPVPXQKWCHGL-GOSISDBHSA-N 1 1 326.419 4.437 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1C ZINC000511121511 1026623460 /nfs/dbraw/zinc/62/34/60/1026623460.db2.gz GPJSIGIKCBPLPG-HXUWFJFHSA-N 1 1 330.435 4.160 20 30 EIEDMO Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2ccc(C#N)cc2F)c(C)c1 ZINC000344852789 1026643510 /nfs/dbraw/zinc/64/35/10/1026643510.db2.gz WLCOFVZPUQEMHR-NRFANRHFSA-N 1 1 348.425 4.042 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1OC1CCCC1 ZINC000112529001 1026674906 /nfs/dbraw/zinc/67/49/06/1026674906.db2.gz AFEHDXKZXZADHG-CVEARBPZSA-N 1 1 341.455 4.111 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCCCO2 ZINC000507170647 1026684370 /nfs/dbraw/zinc/68/43/70/1026684370.db2.gz PMHLRIQOMVAKMV-UHFFFAOYSA-N 1 1 336.435 4.130 20 30 EIEDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C#N)c1 ZINC000507195158 1026697333 /nfs/dbraw/zinc/69/73/33/1026697333.db2.gz TWDVTWSTYWPQJI-UHFFFAOYSA-N 1 1 347.374 4.358 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](Cc2cc(C#N)cs2)C(C)(C)C)c1 ZINC000507210139 1026700572 /nfs/dbraw/zinc/70/05/72/1026700572.db2.gz JRXYHZPGAWLXGG-UHFFFAOYSA-N 1 1 344.480 4.438 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@H](CC)c2nccs2)ccc1OC ZINC000119868401 1026709578 /nfs/dbraw/zinc/70/95/78/1026709578.db2.gz AFJNOBWSTWSMLI-OAHLLOKOSA-N 1 1 332.469 4.348 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccn(C)n1 ZINC000543635203 1026737984 /nfs/dbraw/zinc/73/79/84/1026737984.db2.gz JIIMMELBSRIBOQ-FQEVSTJZSA-N 1 1 330.435 4.200 20 30 EIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135117971 1026776612 /nfs/dbraw/zinc/77/66/12/1026776612.db2.gz VJXKMZSKECPQRY-IQMFZBJNSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135117971 1026776622 /nfs/dbraw/zinc/77/66/22/1026776622.db2.gz VJXKMZSKECPQRY-IQMFZBJNSA-N 1 1 345.895 4.122 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721403 1026835733 /nfs/dbraw/zinc/83/57/33/1026835733.db2.gz JEKYOBAKBREKOY-KRWDZBQOSA-N 1 1 336.439 4.175 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000427448500 1026854029 /nfs/dbraw/zinc/85/40/29/1026854029.db2.gz ISVLPFUJAFRYCT-OAQYLSRUSA-N 1 1 340.511 4.213 20 30 EIEDMO CC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000507684803 1026873557 /nfs/dbraw/zinc/87/35/57/1026873557.db2.gz AIYFOHQQFTZDSM-ZWKOTPCHSA-N 1 1 343.515 4.272 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342740122 1026925549 /nfs/dbraw/zinc/92/55/49/1026925549.db2.gz ULHIVVCTXMXTBP-FQEVSTJZSA-N 1 1 344.462 4.075 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245767 1026998548 /nfs/dbraw/zinc/99/85/48/1026998548.db2.gz ZYJTYMIJLFAQIX-HLIPFELVSA-N 1 1 349.478 4.391 20 30 EIEDMO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075622438 1027051909 /nfs/dbraw/zinc/05/19/09/1027051909.db2.gz GNSCHFZMXAMMDV-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075622438 1027051919 /nfs/dbraw/zinc/05/19/19/1027051919.db2.gz GNSCHFZMXAMMDV-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO Fc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000237738786 1027525403 /nfs/dbraw/zinc/52/54/03/1027525403.db2.gz ZLMGWWVZMAVITL-UHFFFAOYSA-N 1 1 325.280 4.125 20 30 EIEDMO Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329213523 1027653529 /nfs/dbraw/zinc/65/35/29/1027653529.db2.gz JPKQHHKVXRJSAX-HNNXBMFYSA-N 1 1 333.476 4.138 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000475577424 1027693899 /nfs/dbraw/zinc/69/38/99/1027693899.db2.gz DOYPGHQXZHPZQI-UHFFFAOYSA-N 1 1 341.499 4.312 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000523113686 1027750866 /nfs/dbraw/zinc/75/08/66/1027750866.db2.gz HSAKSTVDPWFLIW-ZDUSSCGKSA-N 1 1 325.378 4.253 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000329367559 1027752293 /nfs/dbraw/zinc/75/22/93/1027752293.db2.gz HMAONXMPAFVGMX-KSSFIOAISA-N 1 1 342.418 4.024 20 30 EIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011670 1027760342 /nfs/dbraw/zinc/76/03/42/1027760342.db2.gz ONXZAHFOQRBYIX-OALUTQOASA-N 1 1 326.484 4.273 20 30 EIEDMO C[C@]1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCO1 ZINC000329420848 1027771723 /nfs/dbraw/zinc/77/17/23/1027771723.db2.gz FFRQQUWHYIOHEB-OXJNMPFZSA-N 1 1 345.487 4.019 20 30 EIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328742773 1027802282 /nfs/dbraw/zinc/80/22/82/1027802282.db2.gz JRNCTZMPYJCSKI-OAHLLOKOSA-N 1 1 333.476 4.005 20 30 EIEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328762215 1027804539 /nfs/dbraw/zinc/80/45/39/1027804539.db2.gz YYMKTABCGBOMQP-OAHLLOKOSA-N 1 1 333.476 4.147 20 30 EIEDMO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000328766033 1027805486 /nfs/dbraw/zinc/80/54/86/1027805486.db2.gz HAISQNJETHUVLN-HNNXBMFYSA-N 1 1 343.471 4.315 20 30 EIEDMO O=C(NC[C@@H]1CCCCO1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329472409 1027806758 /nfs/dbraw/zinc/80/67/58/1027806758.db2.gz OHIQIWZSBIWNGD-AEFFLSMTSA-N 1 1 345.487 4.019 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000328791680 1027814153 /nfs/dbraw/zinc/81/41/53/1027814153.db2.gz QXWHIVOFBWPABT-CQSZACIVSA-N 1 1 340.471 4.303 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329531007 1027833855 /nfs/dbraw/zinc/83/38/55/1027833855.db2.gz WEISCWBBTITRBV-OAHLLOKOSA-N 1 1 340.471 4.092 20 30 EIEDMO Cc1csc(C2([NH2+][C@H](C)C(=O)NCC3CCCCC3)CCC2)n1 ZINC000329625944 1027891492 /nfs/dbraw/zinc/89/14/92/1027891492.db2.gz SZDJCRHUPBZDPO-CQSZACIVSA-N 1 1 335.517 4.346 20 30 EIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330954857 1027901557 /nfs/dbraw/zinc/90/15/57/1027901557.db2.gz MMALKLMLAXLMHU-NSHDSACASA-N 1 1 344.286 4.145 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000444689964 1027973360 /nfs/dbraw/zinc/97/33/60/1027973360.db2.gz PZEFVTPGFPTRCM-KXTWHKPSSA-N 1 1 341.543 4.453 20 30 EIEDMO COc1c(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)oc2ccccc21 ZINC000330006275 1028180382 /nfs/dbraw/zinc/18/03/82/1028180382.db2.gz DWYZXNZEBFDHGU-MRXNPFEDSA-N 1 1 342.439 4.305 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000155145683 1028360386 /nfs/dbraw/zinc/36/03/86/1028360386.db2.gz AHDQXSYVDIRTKL-HRAATJIYSA-N 1 1 336.435 4.323 20 30 EIEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000330316993 1028410250 /nfs/dbraw/zinc/41/02/50/1028410250.db2.gz ZTXUWSSAOLEERS-YOEHRIQHSA-N 1 1 344.455 4.230 20 30 EIEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000330316992 1028411181 /nfs/dbraw/zinc/41/11/81/1028411181.db2.gz ZTXUWSSAOLEERS-WMLDXEAASA-N 1 1 344.455 4.230 20 30 EIEDMO CC(C)C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000346777999 1028655323 /nfs/dbraw/zinc/65/53/23/1028655323.db2.gz KWULZNXODQCRDH-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO CC(C)C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000346777999 1028655330 /nfs/dbraw/zinc/65/53/30/1028655330.db2.gz KWULZNXODQCRDH-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428322308 1028735544 /nfs/dbraw/zinc/73/55/44/1028735544.db2.gz SVCUFAKMBFYJKB-CQSZACIVSA-N 1 1 342.414 4.346 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187782055 1028769478 /nfs/dbraw/zinc/76/94/78/1028769478.db2.gz RAFYSIHCEAUTPL-VBKZILBWSA-N 1 1 344.405 4.049 20 30 EIEDMO N#CC1(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000343240316 1028774404 /nfs/dbraw/zinc/77/44/04/1028774404.db2.gz UHRFXZDKASHUKG-UHFFFAOYSA-N 1 1 331.872 4.433 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187782404 1028835699 /nfs/dbraw/zinc/83/56/99/1028835699.db2.gz WFCCZJGUDQUPAB-FZKQIMNGSA-N 1 1 330.378 4.199 20 30 EIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc2C1 ZINC000281910259 1028935803 /nfs/dbraw/zinc/93/58/03/1028935803.db2.gz GKNOBQMILZEVPB-NRFANRHFSA-N 1 1 340.511 4.356 20 30 EIEDMO C[C@@H](C1CC1)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281924185 1028964623 /nfs/dbraw/zinc/96/46/23/1028964623.db2.gz HMTWJGZQQUCEHN-SFHVURJKSA-N 1 1 326.484 4.388 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000508546219 1028984188 /nfs/dbraw/zinc/98/41/88/1028984188.db2.gz RPGSLOZRIWCBSS-UHFFFAOYSA-N 1 1 331.419 4.457 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000508545712 1028984750 /nfs/dbraw/zinc/98/47/50/1028984750.db2.gz PSGUCAKGPCBDFX-UHFFFAOYSA-N 1 1 341.451 4.291 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000522837757 1028986756 /nfs/dbraw/zinc/98/67/56/1028986756.db2.gz HKRYUJDQIIGJMO-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000522837757 1028986779 /nfs/dbraw/zinc/98/67/79/1028986779.db2.gz HKRYUJDQIIGJMO-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000444223268 1029089084 /nfs/dbraw/zinc/08/90/84/1029089084.db2.gz HMTKWTKKGGVSBD-UHFFFAOYSA-N 1 1 337.467 4.430 20 30 EIEDMO CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000444243471 1029108302 /nfs/dbraw/zinc/10/83/02/1029108302.db2.gz VGVVILBWAAVACY-UHFFFAOYSA-N 1 1 337.467 4.090 20 30 EIEDMO CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000444243471 1029108307 /nfs/dbraw/zinc/10/83/07/1029108307.db2.gz VGVVILBWAAVACY-UHFFFAOYSA-N 1 1 337.467 4.090 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](C)C#N ZINC000103469621 1029197332 /nfs/dbraw/zinc/19/73/32/1029197332.db2.gz OBTDHLVMSTYYOV-KRWDZBQOSA-N 1 1 335.451 4.164 20 30 EIEDMO C=CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000524811155 1029234197 /nfs/dbraw/zinc/23/41/97/1029234197.db2.gz BQDAGSOFJFVZET-IBGZPJMESA-N 1 1 329.465 4.289 20 30 EIEDMO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000343448189 1029272406 /nfs/dbraw/zinc/27/24/06/1029272406.db2.gz ZNKHEMIKHQSQBF-QGZVFWFLSA-N 1 1 334.467 4.248 20 30 EIEDMO C=CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000475137788 1029286460 /nfs/dbraw/zinc/28/64/60/1029286460.db2.gz TTXWOUOZTBUQGJ-UHFFFAOYSA-N 1 1 327.497 4.102 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000475263673 1029480032 /nfs/dbraw/zinc/48/00/32/1029480032.db2.gz CROKFNZTFQKVBQ-GXTWGEPZSA-N 1 1 329.362 4.033 20 30 EIEDMO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000523018142 1029569396 /nfs/dbraw/zinc/56/93/96/1029569396.db2.gz CVQYZPXVJNGSLT-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccccc1)CC(C)C ZINC000525422063 1029633907 /nfs/dbraw/zinc/63/39/07/1029633907.db2.gz DTCAIHDMKYDQPA-UHFFFAOYSA-N 1 1 338.451 4.104 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000446976060 1029656169 /nfs/dbraw/zinc/65/61/69/1029656169.db2.gz FJXMXIKMPKFLAF-HNNXBMFYSA-N 1 1 326.362 4.143 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCOC1 ZINC000193052309 1029696479 /nfs/dbraw/zinc/69/64/79/1029696479.db2.gz VVBZFMILVAVHKJ-HXUWFJFHSA-N 1 1 348.490 4.245 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640850 1029720678 /nfs/dbraw/zinc/72/06/78/1029720678.db2.gz FIGDLTJFEBYVJZ-MOPGFXCFSA-N 1 1 330.447 4.257 20 30 EIEDMO CC[N@@H+](Cc1nc2ccccc2nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340669 1029738452 /nfs/dbraw/zinc/73/84/52/1029738452.db2.gz CTDXYVPQJMDIBP-INIZCTEOSA-N 1 1 330.435 4.393 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000184083782 1030050269 /nfs/dbraw/zinc/05/02/69/1030050269.db2.gz WMVWJQDVYWJINZ-GOSISDBHSA-N 1 1 342.414 4.195 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000525948633 1030118291 /nfs/dbraw/zinc/11/82/91/1030118291.db2.gz CKZHCWSWNHHUNN-SJORKVTESA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000525948633 1030118307 /nfs/dbraw/zinc/11/83/07/1030118307.db2.gz CKZHCWSWNHHUNN-SJORKVTESA-N 1 1 337.442 4.137 20 30 EIEDMO CCOc1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000441284777 1030215474 /nfs/dbraw/zinc/21/54/74/1030215474.db2.gz XLSHCVKQFBOMAW-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO C[C@H]1CN(CCCC(C)(C)C#N)C(C)(C)C[N@H+]1CCCC(C)(C)C#N ZINC000451080516 1030218816 /nfs/dbraw/zinc/21/88/16/1030218816.db2.gz JGVFDCCHJIWCSE-SFHVURJKSA-N 1 1 346.563 4.431 20 30 EIEDMO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C(C)(C)CN1CCCC(C)(C)C#N ZINC000451080516 1030218838 /nfs/dbraw/zinc/21/88/38/1030218838.db2.gz JGVFDCCHJIWCSE-SFHVURJKSA-N 1 1 346.563 4.431 20 30 EIEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C(C)(C)CN1CCCC(C)(C)C#N ZINC000451080516 1030218855 /nfs/dbraw/zinc/21/88/55/1030218855.db2.gz JGVFDCCHJIWCSE-SFHVURJKSA-N 1 1 346.563 4.431 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067026 1030243927 /nfs/dbraw/zinc/24/39/27/1030243927.db2.gz MPRYHIBKPJCHIT-QGZVFWFLSA-N 1 1 325.481 4.281 20 30 EIEDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000447681661 1030270654 /nfs/dbraw/zinc/27/06/54/1030270654.db2.gz QJQNNICZMHQGPE-MRXNPFEDSA-N 1 1 336.483 4.008 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186447994 1030273685 /nfs/dbraw/zinc/27/36/85/1030273685.db2.gz AODHHFFSVHKSKL-JOCHJYFZSA-N 1 1 348.446 4.001 20 30 EIEDMO N#CCC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000397238354 1030285188 /nfs/dbraw/zinc/28/51/88/1030285188.db2.gz WGOOAHKCVCLGTN-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508606177 1030316287 /nfs/dbraw/zinc/31/62/87/1030316287.db2.gz UVLPBZAHJLEYPX-MRXNPFEDSA-N 1 1 348.425 4.466 20 30 EIEDMO COC[C@]1(C)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451201263 1030317848 /nfs/dbraw/zinc/31/78/48/1030317848.db2.gz JABFCELHDIMENT-JOCHJYFZSA-N 1 1 348.490 4.245 20 30 EIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000530624153 1030598266 /nfs/dbraw/zinc/59/82/66/1030598266.db2.gz RDXYYIQVFHIBBV-UHFFFAOYSA-N 1 1 339.277 4.066 20 30 EIEDMO 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N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000103139987 1030847701 /nfs/dbraw/zinc/84/77/01/1030847701.db2.gz TULDSICJEOZNDR-OAHLLOKOSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000103139987 1030847710 /nfs/dbraw/zinc/84/77/10/1030847710.db2.gz TULDSICJEOZNDR-OAHLLOKOSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000191345722 1030869059 /nfs/dbraw/zinc/86/90/59/1030869059.db2.gz DALYXUBWIVASBS-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000191345722 1030869063 /nfs/dbraw/zinc/86/90/63/1030869063.db2.gz DALYXUBWIVASBS-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877568 /nfs/dbraw/zinc/87/75/68/1030877568.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 1 1 345.490 4.046 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000531103745 1030877583 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20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616784 1031431813 /nfs/dbraw/zinc/43/18/13/1031431813.db2.gz UKRRAXCOJSRMJQ-WBVHZDCISA-N 1 1 328.456 4.063 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616782 1031433385 /nfs/dbraw/zinc/43/33/85/1031433385.db2.gz UKRRAXCOJSRMJQ-NVXWUHKLSA-N 1 1 328.456 4.063 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1F ZINC000449239343 1031574066 /nfs/dbraw/zinc/57/40/66/1031574066.db2.gz JEGVRONQSRVSSK-VFZGTOFNSA-N 1 1 334.316 4.453 20 30 EIEDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000528590781 1031679749 /nfs/dbraw/zinc/67/97/49/1031679749.db2.gz AUKWGNRFHHDJMQ-UHFFFAOYSA-N 1 1 348.494 4.134 20 30 EIEDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000528590781 1031679764 /nfs/dbraw/zinc/67/97/64/1031679764.db2.gz AUKWGNRFHHDJMQ-UHFFFAOYSA-N 1 1 348.494 4.134 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc(OC)c1O 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20 30 EIEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512615491 1033499529 /nfs/dbraw/zinc/49/95/29/1033499529.db2.gz ZFBOFRZNFMSJOI-QWHCGFSZSA-N 1 1 328.387 4.126 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000614168177 1033556208 /nfs/dbraw/zinc/55/62/08/1033556208.db2.gz WPNNVCQXQKGNQG-INIZCTEOSA-N 1 1 340.389 4.031 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000614171166 1033578939 /nfs/dbraw/zinc/57/89/39/1033578939.db2.gz DYEORURWMGDKCJ-JOCHJYFZSA-N 1 1 348.490 4.321 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000614171627 1033581860 /nfs/dbraw/zinc/58/18/60/1033581860.db2.gz VLXZCIJSHXRMQY-UHFFFAOYSA-N 1 1 338.838 4.233 20 30 EIEDMO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666054 1033664577 /nfs/dbraw/zinc/66/45/77/1033664577.db2.gz IJBWLFVHDMZQSX-IERDGZPVSA-N 1 1 337.442 4.185 20 30 EIEDMO C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000512667025 1033667895 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Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595620768 1035735988 /nfs/dbraw/zinc/73/59/88/1035735988.db2.gz QGFHEKCJZVZSRE-HNNXBMFYSA-N 1 1 340.858 4.231 20 30 EIEDMO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000029689562 1035737129 /nfs/dbraw/zinc/73/71/29/1035737129.db2.gz JXAZBKGKACJKCR-MRXNPFEDSA-N 1 1 339.870 4.090 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000595619570 1035739743 /nfs/dbraw/zinc/73/97/43/1035739743.db2.gz DJIVRPZZPZGJCE-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000595619570 1035739765 /nfs/dbraw/zinc/73/97/65/1035739765.db2.gz DJIVRPZZPZGJCE-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccsc1 ZINC000595600550 1035746908 /nfs/dbraw/zinc/74/69/08/1035746908.db2.gz HMGXNIILROVGLI-UHFFFAOYSA-N 1 1 341.480 4.249 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595615084 1035748077 /nfs/dbraw/zinc/74/80/77/1035748077.db2.gz OWQZZWRTUPWUPV-SIEGMDDESA-N 1 1 333.273 4.478 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616085 1035751318 /nfs/dbraw/zinc/75/13/18/1035751318.db2.gz OVLRDGFMTFHLGT-ZWKOTPCHSA-N 1 1 347.462 4.306 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616085 1035751356 /nfs/dbraw/zinc/75/13/56/1035751356.db2.gz OVLRDGFMTFHLGT-ZWKOTPCHSA-N 1 1 347.462 4.306 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595612153 1035753185 /nfs/dbraw/zinc/75/31/85/1035753185.db2.gz SHISZLNKQOHQIF-OAHLLOKOSA-N 1 1 340.389 4.490 20 30 EIEDMO CC(C)([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc(C#N)c1 ZINC000595639505 1035757400 /nfs/dbraw/zinc/75/74/00/1035757400.db2.gz KPHGYDZDLGOJSO-UHFFFAOYSA-N 1 1 325.359 4.058 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595677884 1035763419 /nfs/dbraw/zinc/76/34/19/1035763419.db2.gz WCAHCOCTRIRNIB-FQEVSTJZSA-N 1 1 349.434 4.097 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1ccnc(C#N)c1 ZINC000593105677 1035768690 /nfs/dbraw/zinc/76/86/90/1035768690.db2.gz UEXGBLVUMAFWLX-QGZVFWFLSA-N 1 1 341.842 4.125 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000593105677 1035768726 /nfs/dbraw/zinc/76/87/26/1035768726.db2.gz UEXGBLVUMAFWLX-QGZVFWFLSA-N 1 1 341.842 4.125 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000595840203 1035796656 /nfs/dbraw/zinc/79/66/56/1035796656.db2.gz OSXPBLJSRDNKRO-MRXNPFEDSA-N 1 1 326.362 4.100 20 30 EIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842154 1035799745 /nfs/dbraw/zinc/79/97/45/1035799745.db2.gz XZLOSHPRXUFVHI-KKSFZXQISA-N 1 1 333.435 4.235 20 30 EIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842154 1035799766 /nfs/dbraw/zinc/79/97/66/1035799766.db2.gz XZLOSHPRXUFVHI-KKSFZXQISA-N 1 1 333.435 4.235 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CC3CCC3)o2)cc1 ZINC000595870721 1035804316 /nfs/dbraw/zinc/80/43/16/1035804316.db2.gz JXMWASUYHUMVAS-SFHVURJKSA-N 1 1 336.439 4.153 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774193 1035834739 /nfs/dbraw/zinc/83/47/39/1035834739.db2.gz FPNAUULTKKXGKM-MRXNPFEDSA-N 1 1 345.368 4.352 20 30 EIEDMO C=CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211234 1035835234 /nfs/dbraw/zinc/83/52/34/1035835234.db2.gz MMKTUMUMBOJXFH-GOSISDBHSA-N 1 1 347.466 4.028 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000060090442 1035845826 /nfs/dbraw/zinc/84/58/26/1035845826.db2.gz FQNQFGUJJCOCMH-UHFFFAOYSA-N 1 1 347.462 4.189 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1Cl ZINC000586794256 1035849221 /nfs/dbraw/zinc/84/92/21/1035849221.db2.gz CJSVPVFALKNGFB-QGZVFWFLSA-N 1 1 328.847 4.346 20 30 EIEDMO CCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197831 1035896680 /nfs/dbraw/zinc/89/66/80/1035896680.db2.gz XIRFCCWZFOGPLX-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060197831 1035896697 /nfs/dbraw/zinc/89/66/97/1035896697.db2.gz XIRFCCWZFOGPLX-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060197831 1035896698 /nfs/dbraw/zinc/89/66/98/1035896698.db2.gz XIRFCCWZFOGPLX-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C(C)C)[C@H](C)c2ccsc2)c(C#N)c1C ZINC000421000996 1035938311 /nfs/dbraw/zinc/93/83/11/1035938311.db2.gz FBRGDLVSCKMGDE-CYBMUJFWSA-N 1 1 345.468 4.240 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)[C@H](C)c2ccsc2)c(C#N)c1C ZINC000421000996 1035938334 /nfs/dbraw/zinc/93/83/34/1035938334.db2.gz FBRGDLVSCKMGDE-CYBMUJFWSA-N 1 1 345.468 4.240 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000905851477 1035943614 /nfs/dbraw/zinc/94/36/14/1035943614.db2.gz WDBDZSRFNIFVIB-CYBMUJFWSA-N 1 1 342.240 4.135 20 30 EIEDMO CCCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000597174295 1036140333 /nfs/dbraw/zinc/14/03/33/1036140333.db2.gz OUBCWFVWVBVTKU-KRWDZBQOSA-N 1 1 330.472 4.390 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000502471481 1036233278 /nfs/dbraw/zinc/23/32/78/1036233278.db2.gz ZZASDVRNVGISIX-RTBURBONSA-N 1 1 336.479 4.249 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000502471481 1036233288 /nfs/dbraw/zinc/23/32/88/1036233288.db2.gz ZZASDVRNVGISIX-RTBURBONSA-N 1 1 336.479 4.249 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000060754831 1036413182 /nfs/dbraw/zinc/41/31/82/1036413182.db2.gz GFARWZIFESPSRB-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000156839769 1036438859 /nfs/dbraw/zinc/43/88/59/1036438859.db2.gz RHQQSYSTSBODQX-QGZVFWFLSA-N 1 1 337.467 4.066 20 30 EIEDMO C=CCOc1ccccc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000060832402 1036527771 /nfs/dbraw/zinc/52/77/71/1036527771.db2.gz DEKKSWZDPXCCKU-NRFANRHFSA-N 1 1 336.479 4.178 20 30 EIEDMO C=CCCCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000572472349 1036543449 /nfs/dbraw/zinc/54/34/49/1036543449.db2.gz PFHXMRIGIAMTCT-UHFFFAOYSA-N 1 1 328.500 4.360 20 30 EIEDMO N#CCC1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000602803976 1036628332 /nfs/dbraw/zinc/62/83/32/1036628332.db2.gz CROAKUYGVOCRKI-UHFFFAOYSA-N 1 1 349.356 4.486 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000602882324 1036658262 /nfs/dbraw/zinc/65/82/62/1036658262.db2.gz CQQDSIYEXOVKBG-OAHLLOKOSA-N 1 1 332.407 4.015 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000602882324 1036658273 /nfs/dbraw/zinc/65/82/73/1036658273.db2.gz CQQDSIYEXOVKBG-OAHLLOKOSA-N 1 1 332.407 4.015 20 30 EIEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000589167740 1036683069 /nfs/dbraw/zinc/68/30/69/1036683069.db2.gz VSWYPINRWJSMIS-UHFFFAOYSA-N 1 1 348.446 4.173 20 30 EIEDMO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[C@H]1C#N ZINC000602979250 1036689239 /nfs/dbraw/zinc/68/92/39/1036689239.db2.gz BIVGKDCLFIJKRK-LRDDRELGSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[C@H]1C#N ZINC000602979250 1036689253 /nfs/dbraw/zinc/68/92/53/1036689253.db2.gz BIVGKDCLFIJKRK-LRDDRELGSA-N 1 1 344.256 4.121 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000598585095 1036704161 /nfs/dbraw/zinc/70/41/61/1036704161.db2.gz RKSREIPVFYMQOD-SUMWQHHRSA-N 1 1 346.521 4.058 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000598585092 1036704576 /nfs/dbraw/zinc/70/45/76/1036704576.db2.gz RKSREIPVFYMQOD-CXAGYDPISA-N 1 1 346.521 4.058 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000598596837 1036711538 /nfs/dbraw/zinc/71/15/38/1036711538.db2.gz MKCUIEDUQGECJG-RBBKRZOGSA-N 1 1 348.490 4.129 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723512 /nfs/dbraw/zinc/72/35/12/1036723512.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723528 /nfs/dbraw/zinc/72/35/28/1036723528.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300649 1036723550 /nfs/dbraw/zinc/72/35/50/1036723550.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300649 1036723567 /nfs/dbraw/zinc/72/35/67/1036723567.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 1 1 345.490 4.073 20 30 EIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000589336966 1036738851 /nfs/dbraw/zinc/73/88/51/1036738851.db2.gz PIBPUFATLGATBO-NFBKMPQASA-N 1 1 345.490 4.047 20 30 EIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000589338804 1036738931 /nfs/dbraw/zinc/73/89/31/1036738931.db2.gz FWUNGOKOQJCNBP-XZOQPEGZSA-N 1 1 345.490 4.362 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C2CC2)cc1 ZINC001168413968 1036793416 /nfs/dbraw/zinc/79/34/16/1036793416.db2.gz MTPYTVKACGEDND-UHFFFAOYSA-N 1 1 342.345 4.044 20 30 EIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502941651 1036825775 /nfs/dbraw/zinc/82/57/75/1036825775.db2.gz WWNZDMSFBHNXEZ-KRWDZBQOSA-N 1 1 335.451 4.188 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc2ccc(Cl)cc2n1C ZINC000421874466 1036829300 /nfs/dbraw/zinc/82/93/00/1036829300.db2.gz IJMHAKQOQRMTGZ-SNVBAGLBSA-N 1 1 330.844 4.011 20 30 EIEDMO COc1cc(CNc2cc(C)[nH+]c3c(OC)cccc23)ccc1C#N ZINC000589604291 1036848382 /nfs/dbraw/zinc/84/83/82/1036848382.db2.gz RZKMPWNKEMLWAF-UHFFFAOYSA-N 1 1 333.391 4.044 20 30 EIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794620 1036857749 /nfs/dbraw/zinc/85/77/49/1036857749.db2.gz DMQMABPUJDBPRO-LRDDRELGSA-N 1 1 333.501 4.076 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000603662337 1036932013 /nfs/dbraw/zinc/93/20/13/1036932013.db2.gz RQTNNWMOEZYJMK-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)C1(F)F ZINC000599515374 1037048046 /nfs/dbraw/zinc/04/80/46/1037048046.db2.gz TXUMPSWLCSQWKX-QWRGUYRKSA-N 1 1 332.316 4.300 20 30 EIEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467303737 1037059415 /nfs/dbraw/zinc/05/94/15/1037059415.db2.gz FAQKSGINUWVMOE-QGZVFWFLSA-N 1 1 338.451 4.101 20 30 EIEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000603868470 1037063882 /nfs/dbraw/zinc/06/38/82/1037063882.db2.gz OQZFFJXKTFOROE-LJQANCHMSA-N 1 1 345.446 4.027 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583582 1037086428 /nfs/dbraw/zinc/08/64/28/1037086428.db2.gz SHBLEUPFCVCVAT-IAGOWNOFSA-N 1 1 334.504 4.150 20 30 EIEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000487591066 1037169623 /nfs/dbraw/zinc/16/96/23/1037169623.db2.gz AKSYEMULNZLVTD-FCHUYYIVSA-N 1 1 348.490 4.127 20 30 EIEDMO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000604275702 1037326696 /nfs/dbraw/zinc/32/66/96/1037326696.db2.gz AAWOGRURECIAFX-CHWSQXEVSA-N 1 1 336.279 4.121 20 30 EIEDMO CCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccc(C)o1 ZINC000604500703 1037415198 /nfs/dbraw/zinc/41/51/98/1037415198.db2.gz JIAAQAHSGUFSFG-QGZVFWFLSA-N 1 1 345.487 4.094 20 30 EIEDMO CCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccc(C)o1 ZINC000604500703 1037415208 /nfs/dbraw/zinc/41/52/08/1037415208.db2.gz JIAAQAHSGUFSFG-QGZVFWFLSA-N 1 1 345.487 4.094 20 30 EIEDMO CC(C)[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533486 1037429035 /nfs/dbraw/zinc/42/90/35/1037429035.db2.gz NGAJBZAKNTYCSC-UHFFFAOYSA-N 1 1 330.435 4.155 20 30 EIEDMO CC(C)[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533486 1037429046 /nfs/dbraw/zinc/42/90/46/1037429046.db2.gz NGAJBZAKNTYCSC-UHFFFAOYSA-N 1 1 330.435 4.155 20 30 EIEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2F)C(C)C)c(F)c1 ZINC000591531652 1037484647 /nfs/dbraw/zinc/48/46/47/1037484647.db2.gz XTDAMCXFXOFWOI-LJQANCHMSA-N 1 1 330.378 4.332 20 30 EIEDMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H](C#N)CCC#N ZINC000591743593 1037564508 /nfs/dbraw/zinc/56/45/08/1037564508.db2.gz LLUGVZGRKRNKNW-YOEHRIQHSA-N 1 1 333.863 4.469 20 30 EIEDMO C=C(C)C[N@@H+](CC)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000488586655 1037681053 /nfs/dbraw/zinc/68/10/53/1037681053.db2.gz LGUISDGDMQQACJ-HXUWFJFHSA-N 1 1 342.508 4.242 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ncsc2C1 ZINC000592188409 1037742077 /nfs/dbraw/zinc/74/20/77/1037742077.db2.gz PAHXCUWDDVHJHK-KRWDZBQOSA-N 1 1 325.481 4.174 20 30 EIEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488761854 1037746039 /nfs/dbraw/zinc/74/60/39/1037746039.db2.gz JCTSESNJJQUXFY-HNNXBMFYSA-N 1 1 333.863 4.051 20 30 EIEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488761855 1037746873 /nfs/dbraw/zinc/74/68/73/1037746873.db2.gz JCTSESNJJQUXFY-OAHLLOKOSA-N 1 1 333.863 4.051 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503561726 1037809563 /nfs/dbraw/zinc/80/95/63/1037809563.db2.gz FVOVCTSDSMALBM-UHFFFAOYSA-N 1 1 326.440 4.202 20 30 EIEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1 ZINC000592984975 1037897591 /nfs/dbraw/zinc/89/75/91/1037897591.db2.gz DFQNAXWKHLCIRZ-PXNSSMCTSA-N 1 1 334.463 4.012 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593123881 1037982170 /nfs/dbraw/zinc/98/21/70/1037982170.db2.gz FVGBWFZLIUDHNB-FKBYEOEOSA-N 1 1 332.447 4.247 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCCO2)cc1 ZINC000503947424 1038017612 /nfs/dbraw/zinc/01/76/12/1038017612.db2.gz VGNAXUJLUHIJHX-OAQYLSRUSA-N 1 1 338.426 4.269 20 30 EIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250830 1038078616 /nfs/dbraw/zinc/07/86/16/1038078616.db2.gz VPVHPJVEJYXFCN-JLTOFOAXSA-N 1 1 325.431 4.171 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(F)cc1C#N ZINC000489551004 1038108470 /nfs/dbraw/zinc/10/84/70/1038108470.db2.gz QVTUJRBJWUENNL-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCC1 ZINC000593652950 1038117707 /nfs/dbraw/zinc/11/77/07/1038117707.db2.gz SBQOQQGZXYCCGJ-KRWDZBQOSA-N 1 1 348.874 4.071 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000593650107 1038119164 /nfs/dbraw/zinc/11/91/64/1038119164.db2.gz QAZQUQKCECQUSV-UHFFFAOYSA-N 1 1 325.368 4.028 20 30 EIEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CC=CC2 ZINC000592526058 1038148070 /nfs/dbraw/zinc/14/80/70/1038148070.db2.gz GPUIPUDUYHXQHN-NRFANRHFSA-N 1 1 346.478 4.135 20 30 EIEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000593944573 1038202300 /nfs/dbraw/zinc/20/23/00/1038202300.db2.gz WXVNUTZYIUMZLU-LLVKDONJSA-N 1 1 325.199 4.127 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000489867201 1038252934 /nfs/dbraw/zinc/25/29/34/1038252934.db2.gz VVYVMJYOLITPPE-FXAWDEMLSA-N 1 1 326.390 4.279 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000489867201 1038252939 /nfs/dbraw/zinc/25/29/39/1038252939.db2.gz VVYVMJYOLITPPE-FXAWDEMLSA-N 1 1 326.390 4.279 20 30 EIEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606816823 1038256726 /nfs/dbraw/zinc/25/67/26/1038256726.db2.gz OHSYFZCFGYXYJJ-FQEVSTJZSA-N 1 1 328.500 4.103 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3CC3CCCC3)o2)c1 ZINC000594052953 1038296220 /nfs/dbraw/zinc/29/62/20/1038296220.db2.gz KBLFFNSJNUFYEY-GOSISDBHSA-N 1 1 336.439 4.153 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000490066091 1038330020 /nfs/dbraw/zinc/33/00/20/1038330020.db2.gz KWAJVYMCNHHKHJ-QGZVFWFLSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000490066091 1038330037 /nfs/dbraw/zinc/33/00/37/1038330037.db2.gz KWAJVYMCNHHKHJ-QGZVFWFLSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000490069201 1038331571 /nfs/dbraw/zinc/33/15/71/1038331571.db2.gz BKLXHJQVRPCUFE-SFHVURJKSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000490069201 1038331579 /nfs/dbraw/zinc/33/15/79/1038331579.db2.gz BKLXHJQVRPCUFE-SFHVURJKSA-N 1 1 332.806 4.170 20 30 EIEDMO C[NH+](C)[C@H](CNc1c(F)cc(C#N)cc1F)c1ccccc1Cl ZINC000063508055 1038410720 /nfs/dbraw/zinc/41/07/20/1038410720.db2.gz JDIQMUBNWSJRTF-MRXNPFEDSA-N 1 1 335.785 4.205 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccn(C(F)F)c1=O ZINC000637868019 1038604540 /nfs/dbraw/zinc/60/45/40/1038604540.db2.gz LODIRNFEMZXQFM-UHFFFAOYSA-N 1 1 344.814 4.147 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)nn1 ZINC000424298558 1038773849 /nfs/dbraw/zinc/77/38/49/1038773849.db2.gz SREVARXBRGJXDG-QGZVFWFLSA-N 1 1 332.879 4.385 20 30 EIEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000612422672 1038826379 /nfs/dbraw/zinc/82/63/79/1038826379.db2.gz TVRSDXFTENHNCJ-BFUOFWGJSA-N 1 1 340.398 4.270 20 30 EIEDMO CC[N@@H+](CCC1CCN(c2ncc(C#N)cc2Cl)CC1)CC(C)C ZINC000539108364 1038852909 /nfs/dbraw/zinc/85/29/09/1038852909.db2.gz GIMPSVHUIANCHO-UHFFFAOYSA-N 1 1 348.922 4.191 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000480880173 1038856853 /nfs/dbraw/zinc/85/68/53/1038856853.db2.gz IUZVJUUREAZKBC-LJQANCHMSA-N 1 1 325.843 4.288 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000480880173 1038856859 /nfs/dbraw/zinc/85/68/59/1038856859.db2.gz IUZVJUUREAZKBC-LJQANCHMSA-N 1 1 325.843 4.288 20 30 EIEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128990 1038857851 /nfs/dbraw/zinc/85/78/51/1038857851.db2.gz FJPNGKGNHUXLAS-AEFFLSMTSA-N 1 1 338.854 4.087 20 30 EIEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128990 1038857854 /nfs/dbraw/zinc/85/78/54/1038857854.db2.gz FJPNGKGNHUXLAS-AEFFLSMTSA-N 1 1 338.854 4.087 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000481034214 1038984771 /nfs/dbraw/zinc/98/47/71/1038984771.db2.gz HSUSKJGOPIHAPL-GOSISDBHSA-N 1 1 336.826 4.008 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000481034214 1038984796 /nfs/dbraw/zinc/98/47/96/1038984796.db2.gz HSUSKJGOPIHAPL-GOSISDBHSA-N 1 1 336.826 4.008 20 30 EIEDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609040637 1039004036 /nfs/dbraw/zinc/00/40/36/1039004036.db2.gz WSVRWPWZPFBJQL-AWEZNQCLSA-N 1 1 345.512 4.092 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000537624406 1039017613 /nfs/dbraw/zinc/01/76/13/1039017613.db2.gz LCWZLBOBBIHOLR-UHFFFAOYSA-N 1 1 341.455 4.026 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478026940 1039349219 /nfs/dbraw/zinc/34/92/19/1039349219.db2.gz KQGSDCSVABJYCI-OAHLLOKOSA-N 1 1 325.374 4.122 20 30 EIEDMO CC(C)(C)c1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600214141 1039376956 /nfs/dbraw/zinc/37/69/56/1039376956.db2.gz KWWYGMNDCUNPDU-UHFFFAOYSA-N 1 1 325.481 4.065 20 30 EIEDMO CC(C)(C)c1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600214141 1039376974 /nfs/dbraw/zinc/37/69/74/1039376974.db2.gz KWWYGMNDCUNPDU-UHFFFAOYSA-N 1 1 325.481 4.065 20 30 EIEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)C#N ZINC000552316641 1039393199 /nfs/dbraw/zinc/39/31/99/1039393199.db2.gz HTUSFCZPWGBJQU-UHFFFAOYSA-N 1 1 333.435 4.119 20 30 EIEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)C#N ZINC000552316641 1039393216 /nfs/dbraw/zinc/39/32/16/1039393216.db2.gz HTUSFCZPWGBJQU-UHFFFAOYSA-N 1 1 333.435 4.119 20 30 EIEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)OCC ZINC000534404445 1039394089 /nfs/dbraw/zinc/39/40/89/1039394089.db2.gz BIEUDBLHTFHLQM-YLJYHZDGSA-N 1 1 344.499 4.371 20 30 EIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000092150142 1039482280 /nfs/dbraw/zinc/48/22/80/1039482280.db2.gz IBCQOUDXMYKMRE-UHFFFAOYSA-N 1 1 326.415 4.183 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccco1 ZINC000514089964 1039593026 /nfs/dbraw/zinc/59/30/26/1039593026.db2.gz RVSLLUGHWQYYGO-PBHICJAKSA-N 1 1 327.424 4.409 20 30 EIEDMO C=CCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000478347557 1039689265 /nfs/dbraw/zinc/68/92/65/1039689265.db2.gz WSUFCRBSBCCTCW-UYAOXDASSA-N 1 1 340.511 4.150 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000093665867 1039729192 /nfs/dbraw/zinc/72/91/92/1039729192.db2.gz VHCYOYGGAGLJMF-NRFANRHFSA-N 1 1 342.483 4.293 20 30 EIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000434849661 1039887020 /nfs/dbraw/zinc/88/70/20/1039887020.db2.gz GDNYHLBNZMMLJC-FPOVZHCZSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000434849661 1039887024 /nfs/dbraw/zinc/88/70/24/1039887024.db2.gz GDNYHLBNZMMLJC-FPOVZHCZSA-N 1 1 348.446 4.042 20 30 EIEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)OCC ZINC000535138776 1039993476 /nfs/dbraw/zinc/99/34/76/1039993476.db2.gz SBNXWNROFVDIEY-FXAWDEMLSA-N 1 1 344.499 4.228 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000514754492 1040204509 /nfs/dbraw/zinc/20/45/09/1040204509.db2.gz UTJGKGKRIFVNNT-OAHLLOKOSA-N 1 1 328.843 4.421 20 30 EIEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000346742964 1040274713 /nfs/dbraw/zinc/27/47/13/1040274713.db2.gz VAYYJVDSMFHHQS-UHFFFAOYSA-N 1 1 336.826 4.196 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000482500387 1040300323 /nfs/dbraw/zinc/30/03/23/1040300323.db2.gz AMZVIAPYYSVOPB-COXVUDFISA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000482500387 1040300330 /nfs/dbraw/zinc/30/03/30/1040300330.db2.gz AMZVIAPYYSVOPB-COXVUDFISA-N 1 1 346.496 4.095 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000425367251 1040348982 /nfs/dbraw/zinc/34/89/82/1040348982.db2.gz SAYQQDUTYCYZBQ-ZDUSSCGKSA-N 1 1 344.842 4.422 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)c1 ZINC000442882794 1040371570 /nfs/dbraw/zinc/37/15/70/1040371570.db2.gz SOCOTWTXRXXYRF-UHFFFAOYSA-N 1 1 348.446 4.255 20 30 EIEDMO COCc1cccc(OCC2(C[N@@H+](C[C@H](C)C#N)C3CC3)CCC2)c1 ZINC000539447344 1040449929 /nfs/dbraw/zinc/44/99/29/1040449929.db2.gz UMSRFLQYUGBNIR-QGZVFWFLSA-N 1 1 342.483 4.006 20 30 EIEDMO Cc1ccc(-c2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)on2)cc1 ZINC000551713639 1040531652 /nfs/dbraw/zinc/53/16/52/1040531652.db2.gz HEYKXORADCLOJQ-UHFFFAOYSA-N 1 1 329.403 4.301 20 30 EIEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000539588060 1040590665 /nfs/dbraw/zinc/59/06/65/1040590665.db2.gz VESZAXCWKNLCLT-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO C=CCC[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000435763255 1040601498 /nfs/dbraw/zinc/60/14/98/1040601498.db2.gz QIUJWBFPPFEPBD-VQTJNVASSA-N 1 1 343.515 4.210 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000160585136 1040615702 /nfs/dbraw/zinc/61/57/02/1040615702.db2.gz PAUANSQMEOMNML-LJQANCHMSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000160585136 1040615714 /nfs/dbraw/zinc/61/57/14/1040615714.db2.gz PAUANSQMEOMNML-LJQANCHMSA-N 1 1 340.398 4.052 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000483096397 1040685674 /nfs/dbraw/zinc/68/56/74/1040685674.db2.gz JRKNDCZCJXAKET-OAHLLOKOSA-N 1 1 346.352 4.288 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000505741936 1040807478 /nfs/dbraw/zinc/80/74/78/1040807478.db2.gz MBODXJWEFQESAB-KRWDZBQOSA-N 1 1 338.451 4.019 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000505741936 1040807479 /nfs/dbraw/zinc/80/74/79/1040807479.db2.gz MBODXJWEFQESAB-KRWDZBQOSA-N 1 1 338.451 4.019 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000483351840 1040826277 /nfs/dbraw/zinc/82/62/77/1040826277.db2.gz GPTKSZSKECFCQP-UHFFFAOYSA-N 1 1 339.435 4.130 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162612629 1040830145 /nfs/dbraw/zinc/83/01/45/1040830145.db2.gz ZUSLAZRSGRQLMR-UHFFFAOYSA-N 1 1 339.458 4.101 20 30 EIEDMO C=CC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000483416916 1040847520 /nfs/dbraw/zinc/84/75/20/1040847520.db2.gz GYNKBUKNTTUWFU-UHFFFAOYSA-N 1 1 341.451 4.005 20 30 EIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000539864274 1040853348 /nfs/dbraw/zinc/85/33/48/1040853348.db2.gz WLHHCQLALACGEE-ZDUSSCGKSA-N 1 1 341.436 4.447 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000539864274 1040853354 /nfs/dbraw/zinc/85/33/54/1040853354.db2.gz WLHHCQLALACGEE-ZDUSSCGKSA-N 1 1 341.436 4.447 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)c1cc(C#N)ccn1 ZINC000902988021 1040877270 /nfs/dbraw/zinc/87/72/70/1040877270.db2.gz NBMSFKHYOMPKFM-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO C[N@H+](Cc1csc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC000161003131 1040903244 /nfs/dbraw/zinc/90/32/44/1040903244.db2.gz FMVPRSVIFLSNGW-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC000161003131 1040903259 /nfs/dbraw/zinc/90/32/59/1040903259.db2.gz FMVPRSVIFLSNGW-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cnn(CC2CCC2)c1 ZINC000903148935 1040937399 /nfs/dbraw/zinc/93/73/99/1040937399.db2.gz YGKBECOIBDQQBK-KBPBESRZSA-N 1 1 326.419 4.106 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000467579492 1041086153 /nfs/dbraw/zinc/08/61/53/1041086153.db2.gz SVYGNVTYHJFENB-UWJYYQICSA-N 1 1 328.500 4.137 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)c1C ZINC000425532230 1041178143 /nfs/dbraw/zinc/17/81/43/1041178143.db2.gz ISHCEQSBLWVOTN-CQSZACIVSA-N 1 1 341.480 4.177 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)c1C ZINC000425532230 1041178151 /nfs/dbraw/zinc/17/81/51/1041178151.db2.gz ISHCEQSBLWVOTN-CQSZACIVSA-N 1 1 341.480 4.177 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000538288850 1041224490 /nfs/dbraw/zinc/22/44/90/1041224490.db2.gz QZHAEZIJTPYGAN-QGZVFWFLSA-N 1 1 331.504 4.071 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480365894 1041249938 /nfs/dbraw/zinc/24/99/38/1041249938.db2.gz QOROJCINMUQCFX-UHFFFAOYSA-N 1 1 346.421 4.355 20 30 EIEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000480525448 1041357822 /nfs/dbraw/zinc/35/78/22/1041357822.db2.gz IQQXPCPICCLNFP-KZNAEPCWSA-N 1 1 332.875 4.237 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(Cl)c1 ZINC000540328315 1041388081 /nfs/dbraw/zinc/38/80/81/1041388081.db2.gz OBTBIDLTZWCFGB-SFHVURJKSA-N 1 1 342.826 4.239 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508226 1041396602 /nfs/dbraw/zinc/39/66/02/1041396602.db2.gz CVLSVQFQGWJZGL-RZQQEMMASA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508226 1041396610 /nfs/dbraw/zinc/39/66/10/1041396610.db2.gz CVLSVQFQGWJZGL-RZQQEMMASA-N 1 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1042109370 /nfs/dbraw/zinc/10/93/70/1042109370.db2.gz QGXLSBCSZHHZDI-QZTJIDSGSA-N 1 1 328.500 4.137 20 30 EIEDMO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770627 1042149840 /nfs/dbraw/zinc/14/98/40/1042149840.db2.gz BQQWDKYNJPYEQP-FQEVSTJZSA-N 1 1 347.506 4.389 20 30 EIEDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000464771663 1042150842 /nfs/dbraw/zinc/15/08/42/1042150842.db2.gz GJIJRLIALMEPAX-GOSISDBHSA-N 1 1 333.863 4.052 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]2CCCO2)cc1 ZINC000464776193 1042157132 /nfs/dbraw/zinc/15/71/32/1042157132.db2.gz KTGMILKFCZACEO-QFIPXVFZSA-N 1 1 334.463 4.090 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000464818145 1042176722 /nfs/dbraw/zinc/17/67/22/1042176722.db2.gz KELOSUBCMFMBLB-XZOQPEGZSA-N 1 1 348.490 4.408 20 30 EIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC(C)(C)CC1 ZINC000438478016 1042200287 /nfs/dbraw/zinc/20/02/87/1042200287.db2.gz LBDQODAUTHXERT-UHFFFAOYSA-N 1 1 333.863 4.051 20 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1042368924 /nfs/dbraw/zinc/36/89/24/1042368924.db2.gz ZJUSIFWSPXIVGX-WMZHIEFXSA-N 1 1 347.506 4.410 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430982 1042623040 /nfs/dbraw/zinc/62/30/40/1042623040.db2.gz OCZKBCZJFYSOQQ-RVKKMQEKSA-N 1 1 331.891 4.049 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccccc1 ZINC000439462468 1042647016 /nfs/dbraw/zinc/64/70/16/1042647016.db2.gz POAALPFOLGODOQ-OAHLLOKOSA-N 1 1 328.843 4.421 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccccc1 ZINC000439462468 1042647024 /nfs/dbraw/zinc/64/70/24/1042647024.db2.gz POAALPFOLGODOQ-OAHLLOKOSA-N 1 1 328.843 4.421 20 30 EIEDMO Cc1cc(C[NH2+]Cc2cc(F)ccc2Br)ccc1C#N ZINC000443955971 1042695031 /nfs/dbraw/zinc/69/50/31/1042695031.db2.gz GFDVMKYIHKUPHR-UHFFFAOYSA-N 1 1 333.204 4.058 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000174876295 1042717486 /nfs/dbraw/zinc/71/74/86/1042717486.db2.gz OLTZURGVJOKTAR-APWZRJJASA-N 1 1 335.451 4.002 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000174876295 1042717490 /nfs/dbraw/zinc/71/74/90/1042717490.db2.gz OLTZURGVJOKTAR-APWZRJJASA-N 1 1 335.451 4.002 20 30 EIEDMO COc1ccccc1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000174863368 1042717521 /nfs/dbraw/zinc/71/75/21/1042717521.db2.gz UOSXIORNUCAISY-GOSISDBHSA-N 1 1 330.472 4.006 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(c3ccccc3Br)CC2)o1 ZINC000439782833 1042765539 /nfs/dbraw/zinc/76/55/39/1042765539.db2.gz NMEORDBNKQIIHK-UHFFFAOYSA-N 1 1 345.240 4.293 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)c(OC)c1 ZINC000178509191 1042868591 /nfs/dbraw/zinc/86/85/91/1042868591.db2.gz DQCXZYPLGZRMKJ-UHFFFAOYSA-N 1 1 338.451 4.137 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100952 1042988599 /nfs/dbraw/zinc/98/85/99/1042988599.db2.gz GEVSUVUFTCEKBE-AWEZNQCLSA-N 1 1 334.485 4.330 20 30 EIEDMO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 ZINC000494029393 1043006309 /nfs/dbraw/zinc/00/63/09/1043006309.db2.gz PQDCPZPPQYZIOF-INIZCTEOSA-N 1 1 336.332 4.332 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006948 1043010578 /nfs/dbraw/zinc/01/05/78/1043010578.db2.gz PSTVPPMDGOVSCM-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006948 1043010585 /nfs/dbraw/zinc/01/05/85/1043010585.db2.gz PSTVPPMDGOVSCM-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751281 1043046550 /nfs/dbraw/zinc/04/65/50/1043046550.db2.gz FDGLQIACRSFSIT-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751281 1043046555 /nfs/dbraw/zinc/04/65/55/1043046555.db2.gz FDGLQIACRSFSIT-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216238187 1043089525 /nfs/dbraw/zinc/08/95/25/1043089525.db2.gz RKLYBJNQONOGAH-GFCCVEGCSA-N 1 1 347.871 4.122 20 30 EIEDMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216238187 1043089531 /nfs/dbraw/zinc/08/95/31/1043089531.db2.gz RKLYBJNQONOGAH-GFCCVEGCSA-N 1 1 347.871 4.122 20 30 EIEDMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(C#N)CC3)s2)cc1 ZINC000543497405 1043135263 /nfs/dbraw/zinc/13/52/63/1043135263.db2.gz NWBIHIQWOGSBHK-LBPRGKRZSA-N 1 1 327.453 4.082 20 30 EIEDMO Cc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)ccc1C#N ZINC000489002736 1043147526 /nfs/dbraw/zinc/14/75/26/1043147526.db2.gz AWCMSBMSUUGOSJ-CYBMUJFWSA-N 1 1 340.377 4.462 20 30 EIEDMO N#CCSCCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429159463 1043154156 /nfs/dbraw/zinc/15/41/56/1043154156.db2.gz LZORXDVLYARLJK-HNNXBMFYSA-N 1 1 326.918 4.153 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C#N)ccc1OC)CCC2 ZINC000133417124 1043262619 /nfs/dbraw/zinc/26/26/19/1043262619.db2.gz GIPNDCMXWPPAPL-MRXNPFEDSA-N 1 1 341.480 4.095 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)ccc1OC)CCC2 ZINC000133417124 1043262627 /nfs/dbraw/zinc/26/26/27/1043262627.db2.gz GIPNDCMXWPPAPL-MRXNPFEDSA-N 1 1 341.480 4.095 20 30 EIEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554313 1043263460 /nfs/dbraw/zinc/26/34/60/1043263460.db2.gz UEQIVLCAENJJFN-MSOLQXFVSA-N 1 1 336.520 4.003 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000520792157 1043289883 /nfs/dbraw/zinc/28/98/83/1043289883.db2.gz GGFYNPRTPIGCOJ-UHFFFAOYSA-N 1 1 348.368 4.478 20 30 EIEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366865397 1043307674 /nfs/dbraw/zinc/30/76/74/1043307674.db2.gz CKCCBEPZHHPFAR-ICSRJNTNSA-N 1 1 326.484 4.355 20 30 EIEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000625703010 1043359465 /nfs/dbraw/zinc/35/94/65/1043359465.db2.gz JNOMHCFAHSLWRX-LBPRGKRZSA-N 1 1 327.255 4.220 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000625703309 1043360206 /nfs/dbraw/zinc/36/02/06/1043360206.db2.gz MSZDUGQSQDWWFG-CQSZACIVSA-N 1 1 344.480 4.225 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000625705265 1043362233 /nfs/dbraw/zinc/36/22/33/1043362233.db2.gz ZMMVTVSBHUNQDT-CYBMUJFWSA-N 1 1 329.469 4.075 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648000126 1043447756 /nfs/dbraw/zinc/44/77/56/1043447756.db2.gz UJPQOJVFUZLBKX-UHFFFAOYSA-N 1 1 327.453 4.238 20 30 EIEDMO CC(C)C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C#N)cc1 ZINC000521196335 1043645603 /nfs/dbraw/zinc/64/56/03/1043645603.db2.gz BMRCVGCTFQDHFB-UHFFFAOYSA-N 1 1 342.446 4.341 20 30 EIEDMO CC[N@H+](Cc1cccc(Br)c1)Cc1ccccc1C#N ZINC000521220927 1043656247 /nfs/dbraw/zinc/65/62/47/1043656247.db2.gz XDWHEZDFEHHTRN-UHFFFAOYSA-N 1 1 329.241 4.343 20 30 EIEDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1C#N ZINC000521220927 1043656248 /nfs/dbraw/zinc/65/62/48/1043656248.db2.gz XDWHEZDFEHHTRN-UHFFFAOYSA-N 1 1 329.241 4.343 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1SC ZINC000171949351 1043700168 /nfs/dbraw/zinc/70/01/68/1043700168.db2.gz GSBGLEBICGWXOA-UHFFFAOYSA-N 1 1 338.476 4.453 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190374948 1043706042 /nfs/dbraw/zinc/70/60/42/1043706042.db2.gz LZTUUWGVSMBOHU-UHFFFAOYSA-N 1 1 328.378 4.346 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1Cl ZINC000521481256 1043798288 /nfs/dbraw/zinc/79/82/88/1043798288.db2.gz SQGDXBCHVJDGEI-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1Cl ZINC000521481256 1043798312 /nfs/dbraw/zinc/79/83/12/1043798312.db2.gz SQGDXBCHVJDGEI-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2OC)s1 ZINC000121039365 1043799316 /nfs/dbraw/zinc/79/93/16/1043799316.db2.gz DKMLJWNMOVDSLT-CYBMUJFWSA-N 1 1 329.469 4.087 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC)s1 ZINC000121039365 1043799350 /nfs/dbraw/zinc/79/93/50/1043799350.db2.gz DKMLJWNMOVDSLT-CYBMUJFWSA-N 1 1 329.469 4.087 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)Cn1ccc(=S)c2ccccc21 ZINC000731658186 1043809015 /nfs/dbraw/zinc/80/90/15/1043809015.db2.gz DKPVGKAMIYWXHL-UHFFFAOYSA-N 1 1 334.448 4.139 20 30 EIEDMO Cc1csc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066905014 1043825027 /nfs/dbraw/zinc/82/50/27/1043825027.db2.gz TYEBGLGEMGBGEA-UHFFFAOYSA-N 1 1 349.459 4.192 20 30 EIEDMO COc1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000442812738 1043852707 /nfs/dbraw/zinc/85/27/07/1043852707.db2.gz RCKFRVOBYSANNN-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000442812738 1043852715 /nfs/dbraw/zinc/85/27/15/1043852715.db2.gz RCKFRVOBYSANNN-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)c(OC)c1)CCC2 ZINC000442877286 1043877858 /nfs/dbraw/zinc/87/78/58/1043877858.db2.gz ADIAPCHYUJKSSK-MRXNPFEDSA-N 1 1 341.480 4.095 20 30 EIEDMO COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)ccc1C#N ZINC000442858978 1043878281 /nfs/dbraw/zinc/87/82/81/1043878281.db2.gz WDJMGIYTSYFJKF-HXUWFJFHSA-N 1 1 349.478 4.497 20 30 EIEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000494697942 1043891458 /nfs/dbraw/zinc/89/14/58/1043891458.db2.gz GKUWREISBFYRJN-HNNXBMFYSA-N 1 1 326.465 4.283 20 30 EIEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000494697942 1043891461 /nfs/dbraw/zinc/89/14/61/1043891461.db2.gz GKUWREISBFYRJN-HNNXBMFYSA-N 1 1 326.465 4.283 20 30 EIEDMO Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C#N)cc3F)s2)cc1 ZINC000115616988 1043965629 /nfs/dbraw/zinc/96/56/29/1043965629.db2.gz WBDIOKPJBGKGOQ-UHFFFAOYSA-N 1 1 337.423 4.419 20 30 EIEDMO CC(C)CCC[C@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521823468 1044013217 /nfs/dbraw/zinc/01/32/17/1044013217.db2.gz XMBYHBRABZPKLU-SFHVURJKSA-N 1 1 343.515 4.100 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000487425375 1044070116 /nfs/dbraw/zinc/07/01/16/1044070116.db2.gz GODSHAQYNXHKBN-JOCHJYFZSA-N 1 1 348.490 4.360 20 30 EIEDMO C#Cc1cccc(CNC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168019155 1044338744 /nfs/dbraw/zinc/33/87/44/1044338744.db2.gz GXJFUHYOFPBQNU-RTBURBONSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1cccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)c1 ZINC001168019155 1044338758 /nfs/dbraw/zinc/33/87/58/1044338758.db2.gz GXJFUHYOFPBQNU-RTBURBONSA-N 1 1 332.491 4.199 20 30 EIEDMO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474080461 1044368244 /nfs/dbraw/zinc/36/82/44/1044368244.db2.gz NFUYYTSTQJYRRU-AZUAARDMSA-N 1 1 343.515 4.037 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000466414526 1044413777 /nfs/dbraw/zinc/41/37/77/1044413777.db2.gz KGSVWWLRUGYYKH-KNQAVFIVSA-N 1 1 340.511 4.103 20 30 EIEDMO C#Cc1ccc(CNC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168021587 1044443847 /nfs/dbraw/zinc/44/38/47/1044443847.db2.gz QKHOVNWRVYSUSQ-RTBURBONSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1ccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168021587 1044443852 /nfs/dbraw/zinc/44/38/52/1044443852.db2.gz QKHOVNWRVYSUSQ-RTBURBONSA-N 1 1 332.491 4.199 20 30 EIEDMO C[C@@H](C/N=C/c1c(O)ccc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000914558316 1044481888 /nfs/dbraw/zinc/48/18/88/1044481888.db2.gz SSLYWGFGDWWMQD-SYXCRGJESA-N 1 1 344.458 4.411 20 30 EIEDMO C=CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000494903000 1044490484 /nfs/dbraw/zinc/49/04/84/1044490484.db2.gz RXSGOSLMDDTIRT-QFIPXVFZSA-N 1 1 348.490 4.081 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1F ZINC000914573080 1044499381 /nfs/dbraw/zinc/49/93/81/1044499381.db2.gz WVULWKCIYDCESZ-HNNXBMFYSA-N 1 1 325.836 4.262 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1F ZINC000914573080 1044499399 /nfs/dbraw/zinc/49/93/99/1044499399.db2.gz WVULWKCIYDCESZ-HNNXBMFYSA-N 1 1 325.836 4.262 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543395002 1044505908 /nfs/dbraw/zinc/50/59/08/1044505908.db2.gz TUGUAEORTHCEDI-WOJBJXKFSA-N 1 1 348.475 4.206 20 30 EIEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000494923984 1044522694 /nfs/dbraw/zinc/52/26/94/1044522694.db2.gz RVPWNHOUQDPWAY-UHFFFAOYSA-N 1 1 348.372 4.221 20 30 EIEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000494923984 1044522708 /nfs/dbraw/zinc/52/27/08/1044522708.db2.gz RVPWNHOUQDPWAY-UHFFFAOYSA-N 1 1 348.372 4.221 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2ccc(OCC)cc21 ZINC000675839669 1044525996 /nfs/dbraw/zinc/52/59/96/1044525996.db2.gz JKLUWVACFRZETM-LJQANCHMSA-N 1 1 339.435 4.264 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCSC1 ZINC000494939831 1044536508 /nfs/dbraw/zinc/53/65/08/1044536508.db2.gz KRIAWKBODBMXOK-LBPRGKRZSA-N 1 1 344.293 4.329 20 30 EIEDMO C=CCCC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000922334020 1044567816 /nfs/dbraw/zinc/56/78/16/1044567816.db2.gz CPQIUZAOMGFOGK-CQSZACIVSA-N 1 1 334.261 4.359 20 30 EIEDMO C=CC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000494993447 1044584064 /nfs/dbraw/zinc/58/40/64/1044584064.db2.gz BNDZWPZLKQHTHC-HXUWFJFHSA-N 1 1 328.500 4.117 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NOCc2ccccc2)c1C ZINC000914695052 1044669710 /nfs/dbraw/zinc/66/97/10/1044669710.db2.gz CKTFOIWLTOVWPF-NRFANRHFSA-N 1 1 339.483 4.140 20 30 EIEDMO CC[C@H](C/N=C/c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701391 1044675400 /nfs/dbraw/zinc/67/54/00/1044675400.db2.gz HKEDIRXLMFAQAK-VVJWVBNBSA-N 1 1 342.870 4.301 20 30 EIEDMO CC(C)c1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000092034225 1044723021 /nfs/dbraw/zinc/72/30/21/1044723021.db2.gz WZZFUFAEWBNRAB-UHFFFAOYSA-N 1 1 341.480 4.182 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1OCc1cccnc1 ZINC000495185259 1044763166 /nfs/dbraw/zinc/76/31/66/1044763166.db2.gz UHZICIHKDVRTAI-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000914785267 1044780008 /nfs/dbraw/zinc/78/00/08/1044780008.db2.gz WOVATACTTRFDOG-HUUCEWRRSA-N 1 1 346.500 4.328 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000914785267 1044780023 /nfs/dbraw/zinc/78/00/23/1044780023.db2.gz WOVATACTTRFDOG-HUUCEWRRSA-N 1 1 346.500 4.328 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000735309192 1044798658 /nfs/dbraw/zinc/79/86/58/1044798658.db2.gz ISXJNCZQZILLLU-OAHLLOKOSA-N 1 1 344.817 4.371 20 30 EIEDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310757 1044798854 /nfs/dbraw/zinc/79/88/54/1044798854.db2.gz FCIAULMCMZZNJV-INIZCTEOSA-N 1 1 338.904 4.350 20 30 EIEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000474240974 1044814066 /nfs/dbraw/zinc/81/40/66/1044814066.db2.gz SODDAMFJIITPAF-NRFANRHFSA-N 1 1 347.462 4.341 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124063107 1044820964 /nfs/dbraw/zinc/82/09/64/1044820964.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 1 1 339.508 4.105 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154886670 1044845070 /nfs/dbraw/zinc/84/50/70/1044845070.db2.gz IFQWWPPFKAJRFB-UHFFFAOYSA-N 1 1 347.466 4.296 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927270 1044864884 /nfs/dbraw/zinc/86/48/84/1044864884.db2.gz IOYMUUHRHDJSHQ-PBHICJAKSA-N 1 1 343.389 4.060 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555301901 1044872065 /nfs/dbraw/zinc/87/20/65/1044872065.db2.gz XASNCGVKOWTJIA-UHFFFAOYSA-N 1 1 349.312 4.117 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555301901 1044872068 /nfs/dbraw/zinc/87/20/68/1044872068.db2.gz XASNCGVKOWTJIA-UHFFFAOYSA-N 1 1 349.312 4.117 20 30 EIEDMO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168033450 1044896215 /nfs/dbraw/zinc/89/62/15/1044896215.db2.gz KSQIJTCZKVRZGM-KOUHRCEDSA-N 1 1 327.516 4.346 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)c(OCC)c(OC)c1)C1CC1 ZINC000543620989 1044960839 /nfs/dbraw/zinc/96/08/39/1044960839.db2.gz ABDPUJUDCISXBT-UHFFFAOYSA-N 1 1 340.261 4.007 20 30 EIEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCC(C)(C)C#N ZINC000429007569 1045001605 /nfs/dbraw/zinc/00/16/05/1045001605.db2.gz VSSYPAUXMJULSB-AWEZNQCLSA-N 1 1 337.870 4.320 20 30 EIEDMO N#CCSCCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000466744194 1045175209 /nfs/dbraw/zinc/17/52/09/1045175209.db2.gz DBEUARCMSZESHU-UHFFFAOYSA-N 1 1 328.456 4.475 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccncc1 ZINC000766020917 1045235427 /nfs/dbraw/zinc/23/54/27/1045235427.db2.gz RBIGUWXGDONEGZ-JXFKEZNVSA-N 1 1 347.466 4.247 20 30 EIEDMO C[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193015 1045260706 /nfs/dbraw/zinc/26/07/06/1045260706.db2.gz ODMCFICPMXGIIH-DYESRHJHSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193015 1045260715 /nfs/dbraw/zinc/26/07/15/1045260715.db2.gz ODMCFICPMXGIIH-DYESRHJHSA-N 1 1 333.479 4.262 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350343 1045288329 /nfs/dbraw/zinc/28/83/29/1045288329.db2.gz JDJOPEYCTZFJSG-ZWKOTPCHSA-N 1 1 326.484 4.126 20 30 EIEDMO COc1ccc(-c2cc(C[NH2+][C@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000611386469 1045293257 /nfs/dbraw/zinc/29/32/57/1045293257.db2.gz ZTEOUFBDWVUDMU-CQSZACIVSA-N 1 1 333.391 4.073 20 30 EIEDMO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611386739 1045294539 /nfs/dbraw/zinc/29/45/39/1045294539.db2.gz TVCDIAXVIBVPHV-HNNXBMFYSA-N 1 1 333.460 4.456 20 30 EIEDMO C[C@@H](Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000611482719 1045318150 /nfs/dbraw/zinc/31/81/50/1045318150.db2.gz OWJGWOGXTKMOKT-SJORKVTESA-N 1 1 335.451 4.125 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000495797396 1045414415 /nfs/dbraw/zinc/41/44/15/1045414415.db2.gz DHIISBSDWSIARG-IAGOWNOFSA-N 1 1 349.519 4.038 20 30 EIEDMO CC[N@@H+](Cc1cncc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758722 1045462761 /nfs/dbraw/zinc/46/27/61/1045462761.db2.gz VVDMLODEHXWYMQ-ZDUSSCGKSA-N 1 1 344.256 4.299 20 30 EIEDMO CCCCC[C@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000767761724 1045631115 /nfs/dbraw/zinc/63/11/15/1045631115.db2.gz KULKNVQJXKUAOO-IBGZPJMESA-N 1 1 337.471 4.127 20 30 EIEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000767902005 1045676695 /nfs/dbraw/zinc/67/66/95/1045676695.db2.gz VLPWLHAMAVOMDZ-NRFANRHFSA-N 1 1 336.479 4.352 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000768153823 1045726091 /nfs/dbraw/zinc/72/60/91/1045726091.db2.gz LGGSTVZDGBGAEH-UHFFFAOYSA-N 1 1 336.439 4.205 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000768153823 1045726079 /nfs/dbraw/zinc/72/60/79/1045726079.db2.gz LGGSTVZDGBGAEH-UHFFFAOYSA-N 1 1 336.439 4.205 20 30 EIEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000768164369 1045734914 /nfs/dbraw/zinc/73/49/14/1045734914.db2.gz ZDJNHHPTPSRXMF-UHFFFAOYSA-N 1 1 337.467 4.067 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccccc2Cl)cc1 ZINC000768212520 1045753582 /nfs/dbraw/zinc/75/35/82/1045753582.db2.gz KZASNRXJSMAOJN-HNNXBMFYSA-N 1 1 344.842 4.142 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000246592293 1045826122 /nfs/dbraw/zinc/82/61/22/1045826122.db2.gz FWQUCBYOAFRTJQ-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000246592293 1045826126 /nfs/dbraw/zinc/82/61/26/1045826126.db2.gz FWQUCBYOAFRTJQ-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000249460247 1045897689 /nfs/dbraw/zinc/89/76/89/1045897689.db2.gz QRPHOQBXIATTNH-ZMSDIMECSA-N 1 1 345.512 4.140 20 30 EIEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496304210 1045898218 /nfs/dbraw/zinc/89/82/18/1045898218.db2.gz HYLOQKWFZZHZIR-UHFFFAOYSA-N 1 1 341.411 4.097 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000496342146 1045920868 /nfs/dbraw/zinc/92/08/68/1045920868.db2.gz MSVYEMULQFPHND-HXUWFJFHSA-N 1 1 349.519 4.039 20 30 EIEDMO Fc1ccccc1CCN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763356999 1045924577 /nfs/dbraw/zinc/92/45/77/1045924577.db2.gz FIBBTCIQTVGFMI-UHFFFAOYSA-N 1 1 345.849 4.246 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170199111 1045939041 /nfs/dbraw/zinc/93/90/41/1045939041.db2.gz IMCNPOKXUZNDOO-CQSZACIVSA-N 1 1 326.469 4.001 20 30 EIEDMO N#Cc1ccc(F)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170331321 1046000798 /nfs/dbraw/zinc/00/07/98/1046000798.db2.gz RLPRPSSFCVGEPZ-LDLYASANSA-N 1 1 335.426 4.305 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769513365 1046006986 /nfs/dbraw/zinc/00/69/86/1046006986.db2.gz BNJSCWVLABJYJH-OXQOHEQNSA-N 1 1 341.476 4.112 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769513365 1046006978 /nfs/dbraw/zinc/00/69/78/1046006978.db2.gz BNJSCWVLABJYJH-OXQOHEQNSA-N 1 1 341.476 4.112 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769549737 1046015292 /nfs/dbraw/zinc/01/52/92/1046015292.db2.gz UUYAHSRMXKQWGK-ZWKOTPCHSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769549737 1046015304 /nfs/dbraw/zinc/01/53/04/1046015304.db2.gz UUYAHSRMXKQWGK-ZWKOTPCHSA-N 1 1 326.827 4.317 20 30 EIEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000496669643 1046022883 /nfs/dbraw/zinc/02/28/83/1046022883.db2.gz YVYRLXSYIVFNEU-CVEARBPZSA-N 1 1 337.508 4.084 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc1C1CC1 ZINC000127775382 1046024780 /nfs/dbraw/zinc/02/47/80/1046024780.db2.gz VKFODFBXYDBJIL-MRXNPFEDSA-N 1 1 332.517 4.090 20 30 EIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCCC2)nc1C1CC1 ZINC000127775382 1046024799 /nfs/dbraw/zinc/02/47/99/1046024799.db2.gz VKFODFBXYDBJIL-MRXNPFEDSA-N 1 1 332.517 4.090 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387149 1046024990 /nfs/dbraw/zinc/02/49/90/1046024990.db2.gz RTSUPUJQZZEHCA-UHFFFAOYSA-N 1 1 329.447 4.394 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001170389662 1046025106 /nfs/dbraw/zinc/02/51/06/1046025106.db2.gz YBHMIUKOBDGOKO-VEDCXYSMSA-N 1 1 332.451 4.018 20 30 EIEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389248 1046025652 /nfs/dbraw/zinc/02/56/52/1046025652.db2.gz OJCHIDXOSZRUSM-UHFFFAOYSA-N 1 1 342.483 4.054 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001170395743 1046028423 /nfs/dbraw/zinc/02/84/23/1046028423.db2.gz OJBGPWHNYDEJIP-KPQWGBOZSA-N 1 1 338.495 4.139 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001170379064 1046034453 /nfs/dbraw/zinc/03/44/53/1046034453.db2.gz OXYJMSXKAOJPEO-ADKAHSJRSA-N 1 1 336.401 4.460 20 30 EIEDMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170402889 1046039193 /nfs/dbraw/zinc/03/91/93/1046039193.db2.gz BTGRFHRBQLGLNY-QKDPSFTKSA-N 1 1 346.474 4.326 20 30 EIEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000769725695 1046054415 /nfs/dbraw/zinc/05/44/15/1046054415.db2.gz FDXLRSWIYTXBPX-INIZCTEOSA-N 1 1 337.508 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCCCC(C)(C)C#N)C2CC2)C1 ZINC000769772281 1046062446 /nfs/dbraw/zinc/06/24/46/1046062446.db2.gz OUUKLRNVEPDEHQ-QGZVFWFLSA-N 1 1 349.519 4.180 20 30 EIEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000769788574 1046073430 /nfs/dbraw/zinc/07/34/30/1046073430.db2.gz DBDVSPUWFHMLNP-IYBDPMFKSA-N 1 1 337.508 4.036 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000255953572 1046083177 /nfs/dbraw/zinc/08/31/77/1046083177.db2.gz ALKGSWVSCJDPAI-YLJYHZDGSA-N 1 1 349.478 4.392 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000255953572 1046083192 /nfs/dbraw/zinc/08/31/92/1046083192.db2.gz ALKGSWVSCJDPAI-YLJYHZDGSA-N 1 1 349.478 4.392 20 30 EIEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000763409103 1046136731 /nfs/dbraw/zinc/13/67/31/1046136731.db2.gz TVSRYJCDWJDVEM-UZLBHIALSA-N 1 1 338.451 4.073 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C#N)c(C)c4)C3)nc2c1 ZINC000488164014 1046177241 /nfs/dbraw/zinc/17/72/41/1046177241.db2.gz PZKZYMHKZABWIZ-LJQANCHMSA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C#N)c(C)c4)C3)[nH]c2c1 ZINC000488164014 1046177246 /nfs/dbraw/zinc/17/72/46/1046177246.db2.gz PZKZYMHKZABWIZ-LJQANCHMSA-N 1 1 344.462 4.431 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)c(C)c4)C3)[nH]c2c1 ZINC000488164014 1046177253 /nfs/dbraw/zinc/17/72/53/1046177253.db2.gz PZKZYMHKZABWIZ-LJQANCHMSA-N 1 1 344.462 4.431 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000793252020 1046190929 /nfs/dbraw/zinc/19/09/29/1046190929.db2.gz VOAYPRHJGSMFCN-QHCPKHFHSA-N 1 1 342.442 4.281 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578962 1046193923 /nfs/dbraw/zinc/19/39/23/1046193923.db2.gz GPZWIFUBJLRLPS-GOSISDBHSA-N 1 1 342.389 4.429 20 30 EIEDMO C=CC[N@@H+](CCC#N)Cc1c(O)ccc2cc(Br)ccc21 ZINC000793559666 1046291457 /nfs/dbraw/zinc/29/14/57/1046291457.db2.gz CVVYTMVQUJHDAW-UHFFFAOYSA-N 1 1 345.240 4.210 20 30 EIEDMO C=CC[N@H+](CCC#N)Cc1c(O)ccc2cc(Br)ccc21 ZINC000793559666 1046291472 /nfs/dbraw/zinc/29/14/72/1046291472.db2.gz CVVYTMVQUJHDAW-UHFFFAOYSA-N 1 1 345.240 4.210 20 30 EIEDMO C=C(C)C[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000497114311 1046345172 /nfs/dbraw/zinc/34/51/72/1046345172.db2.gz LDJWKOHPKOABEV-UHFFFAOYSA-N 1 1 327.472 4.322 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000916997352 1046549116 /nfs/dbraw/zinc/54/91/16/1046549116.db2.gz WWFRMXHFJAHLKH-UHFFFAOYSA-N 1 1 336.410 4.256 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000772173523 1046587331 /nfs/dbraw/zinc/58/73/31/1046587331.db2.gz APSHBEUNCZSOOQ-IBGZPJMESA-N 1 1 328.843 4.156 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000459398635 1046595525 /nfs/dbraw/zinc/59/55/25/1046595525.db2.gz LMEFUUQCHGHFHM-LJQANCHMSA-N 1 1 335.407 4.488 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000127194405 1046628440 /nfs/dbraw/zinc/62/84/40/1046628440.db2.gz RGZPXAXGBJDCCX-QGZVFWFLSA-N 1 1 348.450 4.025 20 30 EIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000127216722 1046630781 /nfs/dbraw/zinc/63/07/81/1046630781.db2.gz OYTWFCXQZVGCSW-UHFFFAOYSA-N 1 1 341.499 4.009 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000917070849 1046648046 /nfs/dbraw/zinc/64/80/46/1046648046.db2.gz HRKPRSFQHRQZOY-UHFFFAOYSA-N 1 1 345.512 4.114 20 30 EIEDMO Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000536682280 1046651541 /nfs/dbraw/zinc/65/15/41/1046651541.db2.gz CBBAMJGXJGXEGZ-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000536682280 1046651546 /nfs/dbraw/zinc/65/15/46/1046651546.db2.gz CBBAMJGXJGXEGZ-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000746547718 1046659404 /nfs/dbraw/zinc/65/94/04/1046659404.db2.gz PFZZRZHDRIUZRW-UHFFFAOYSA-N 1 1 343.430 4.010 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459457929 1046699067 /nfs/dbraw/zinc/69/90/67/1046699067.db2.gz DXGBENGQAFLUDT-CVAIRZPRSA-N 1 1 333.435 4.282 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000536708599 1046719778 /nfs/dbraw/zinc/71/97/78/1046719778.db2.gz IOOBOCBLOJHZIY-CQSZACIVSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000536708599 1046719791 /nfs/dbraw/zinc/71/97/91/1046719791.db2.gz IOOBOCBLOJHZIY-CQSZACIVSA-N 1 1 332.856 4.317 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588713 1046788770 /nfs/dbraw/zinc/78/87/70/1046788770.db2.gz HSYZOJSVYVPYEX-PBHICJAKSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588713 1046788796 /nfs/dbraw/zinc/78/87/96/1046788796.db2.gz HSYZOJSVYVPYEX-PBHICJAKSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588713 1046788812 /nfs/dbraw/zinc/78/88/12/1046788812.db2.gz HSYZOJSVYVPYEX-PBHICJAKSA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1ccccc1C ZINC000917265387 1046825862 /nfs/dbraw/zinc/82/58/62/1046825862.db2.gz CWNPIXJARKYGRQ-UHFFFAOYSA-N 1 1 339.468 4.072 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc2c(s1)CCC2 ZINC000459650763 1046835009 /nfs/dbraw/zinc/83/50/09/1046835009.db2.gz NYQGAQTUABLBDJ-AWEZNQCLSA-N 1 1 341.480 4.165 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537047503 1046914493 /nfs/dbraw/zinc/91/44/93/1046914493.db2.gz QHTNBNXBBIHNAF-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1F ZINC000537048447 1046914658 /nfs/dbraw/zinc/91/46/58/1046914658.db2.gz IEYIDNPXHZICSJ-UHFFFAOYSA-N 1 1 330.447 4.259 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(F)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000746659503 1046928056 /nfs/dbraw/zinc/92/80/56/1046928056.db2.gz WAOYEAHEINGNCR-FOIQADDNSA-N 1 1 326.415 4.122 20 30 EIEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000537290055 1047070589 /nfs/dbraw/zinc/07/05/89/1047070589.db2.gz IFALWTFMKBWKSF-AEFFLSMTSA-N 1 1 342.483 4.388 20 30 EIEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000537290058 1047070774 /nfs/dbraw/zinc/07/07/74/1047070774.db2.gz IFALWTFMKBWKSF-FUHWJXTLSA-N 1 1 342.483 4.388 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788532141 1047228678 /nfs/dbraw/zinc/22/86/78/1047228678.db2.gz LFNNCDFKDXFYGN-NSHDSACASA-N 1 1 336.769 4.199 20 30 EIEDMO CCCCCCC[C@@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806498924 1047272684 /nfs/dbraw/zinc/27/26/84/1047272684.db2.gz HSMFSNVHVNJORN-KAKFPZCNSA-N 1 1 337.552 4.250 20 30 EIEDMO Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362269 1047384415 /nfs/dbraw/zinc/38/44/15/1047384415.db2.gz VPBDTIRTMVARAX-GNKPEBMXSA-N 1 1 348.899 4.438 20 30 EIEDMO Cc1c(C[N@@H+](C)Cc2cc(C#N)cs2)sc2nc(C)nc(C)c12 ZINC000897625953 1047399225 /nfs/dbraw/zinc/39/92/25/1047399225.db2.gz QGNAAZIEVILSHV-UHFFFAOYSA-N 1 1 342.493 4.182 20 30 EIEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1nc(C#N)cs1 ZINC000897629065 1047403098 /nfs/dbraw/zinc/40/30/98/1047403098.db2.gz FOPQILCXEMHLQC-WZUFQYTHSA-N 1 1 337.370 4.227 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154767305 1047540174 /nfs/dbraw/zinc/54/01/74/1047540174.db2.gz PMPDRXGZKUOZSN-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154767305 1047540187 /nfs/dbraw/zinc/54/01/87/1047540187.db2.gz PMPDRXGZKUOZSN-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO CC(=[NH+][N-]c1[nH+]ccn1C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000790301830 1047562575 /nfs/dbraw/zinc/56/25/75/1047562575.db2.gz JCSIDXDRQSESSL-UHFFFAOYSA-N 1 1 335.436 4.464 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000746919029 1047600774 /nfs/dbraw/zinc/60/07/74/1047600774.db2.gz BEHWDBCKDWOSBS-UHFFFAOYSA-N 1 1 336.435 4.217 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000556485824 1047790763 /nfs/dbraw/zinc/79/07/63/1047790763.db2.gz PEOANRIXQHKJHU-JOCHJYFZSA-N 1 1 340.511 4.103 20 30 EIEDMO C=CCCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000476455460 1047817288 /nfs/dbraw/zinc/81/72/88/1047817288.db2.gz DRGHUJMSBUYZHP-AZUAARDMSA-N 1 1 340.511 4.150 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2nccc(Cl)n2)cc1 ZINC001170548748 1047861972 /nfs/dbraw/zinc/86/19/72/1047861972.db2.gz MYPRDVDMMVCZMU-INIZCTEOSA-N 1 1 328.847 4.065 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963089 1047890947 /nfs/dbraw/zinc/89/09/47/1047890947.db2.gz IKTHRJBNHCNFEE-UHFFFAOYSA-N 1 1 347.462 4.032 20 30 EIEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963089 1047890950 /nfs/dbraw/zinc/89/09/50/1047890950.db2.gz IKTHRJBNHCNFEE-UHFFFAOYSA-N 1 1 347.462 4.032 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985356 1048030515 /nfs/dbraw/zinc/03/05/15/1048030515.db2.gz CUKMHOVAPNYXHI-GOSISDBHSA-N 1 1 349.409 4.222 20 30 EIEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072776108 1048077526 /nfs/dbraw/zinc/07/75/26/1048077526.db2.gz SWCURZGYYAPJGH-NVXWUHKLSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868742 1048084344 /nfs/dbraw/zinc/08/43/44/1048084344.db2.gz BUKMYIMUGZZKQG-RTWAWAEBSA-N 1 1 338.495 4.441 20 30 EIEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1cc(F)c(N)c(F)c1 ZINC000814796538 1048173347 /nfs/dbraw/zinc/17/33/47/1048173347.db2.gz YRNQTBLLAPXSPU-UHFFFAOYSA-N 1 1 340.171 4.146 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001143726281 1048177524 /nfs/dbraw/zinc/17/75/24/1048177524.db2.gz KIWFYQAOALOMSX-UHFFFAOYSA-N 1 1 338.838 4.233 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000809605773 1048412879 /nfs/dbraw/zinc/41/28/79/1048412879.db2.gz IIMGKHYHOMQSEH-LJQANCHMSA-N 1 1 332.491 4.332 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809605773 1048412888 /nfs/dbraw/zinc/41/28/88/1048412888.db2.gz IIMGKHYHOMQSEH-LJQANCHMSA-N 1 1 332.491 4.332 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844747738 1048484548 /nfs/dbraw/zinc/48/45/48/1048484548.db2.gz MHLWRTUBDNURPF-GOSISDBHSA-N 1 1 337.410 4.141 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(CC)c1)[C@@H]2CC ZINC001144321266 1048590814 /nfs/dbraw/zinc/59/08/14/1048590814.db2.gz FRFYGHWZIGNLSE-IRLDBZIGSA-N 1 1 340.511 4.171 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144354111 1048610609 /nfs/dbraw/zinc/61/06/09/1048610609.db2.gz OPCZKHBHLBRMKM-UHFFFAOYSA-N 1 1 336.357 4.211 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144354111 1048610612 /nfs/dbraw/zinc/61/06/12/1048610612.db2.gz OPCZKHBHLBRMKM-UHFFFAOYSA-N 1 1 336.357 4.211 20 30 EIEDMO N#Cc1ccc2c(c1)[C@H](NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000810213808 1048682286 /nfs/dbraw/zinc/68/22/86/1048682286.db2.gz IBCWFYVFCNAMRR-JOCHJYFZSA-N 1 1 337.511 4.180 20 30 EIEDMO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(F)cc1Br ZINC001144588157 1048741320 /nfs/dbraw/zinc/74/13/20/1048741320.db2.gz LLWYKENBXXSAMC-UHFFFAOYSA-N 1 1 325.225 4.022 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001171202326 1048770346 /nfs/dbraw/zinc/77/03/46/1048770346.db2.gz BKZNIQMMUMRMBP-JPYJTQIMSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@@H]1[C@@H](OC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000816470371 1048807733 /nfs/dbraw/zinc/80/77/33/1048807733.db2.gz MQWYUASZNKRYNM-MJGOQNOKSA-N 1 1 328.456 4.057 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001171224242 1048858328 /nfs/dbraw/zinc/85/83/28/1048858328.db2.gz QCMTUJFTZGZZFV-YWZLYKJASA-N 1 1 340.467 4.418 20 30 EIEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233008 1048872526 /nfs/dbraw/zinc/87/25/26/1048872526.db2.gz YPSYNCIYJXPIHA-IIBYNOLFSA-N 1 1 348.446 4.113 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280656 1048926508 /nfs/dbraw/zinc/92/65/08/1048926508.db2.gz CCRMDJSIGWNLER-LBPRGKRZSA-N 1 1 346.780 4.407 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280656 1048926517 /nfs/dbraw/zinc/92/65/17/1048926517.db2.gz CCRMDJSIGWNLER-LBPRGKRZSA-N 1 1 346.780 4.407 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000847022760 1048981598 /nfs/dbraw/zinc/98/15/98/1048981598.db2.gz XIVXTVNLMZOVTL-MRXNPFEDSA-N 1 1 346.430 4.349 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2ccncc2Cl)cc(OC)c1OC ZINC000817578606 1049008858 /nfs/dbraw/zinc/00/88/58/1049008858.db2.gz MEAPWTXMSRTAFZ-CYBMUJFWSA-N 1 1 346.858 4.332 20 30 EIEDMO C=CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171276004 1049013324 /nfs/dbraw/zinc/01/33/24/1049013324.db2.gz USBNCOJIEXSTJB-YOFSQIOKSA-N 1 1 326.484 4.110 20 30 EIEDMO CC[N@@H+](CCOCc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609384979 1049043658 /nfs/dbraw/zinc/04/36/58/1049043658.db2.gz AQBOGOJTCPXDQM-QGZVFWFLSA-N 1 1 338.451 4.167 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453514 1049082124 /nfs/dbraw/zinc/08/21/24/1049082124.db2.gz NYVGADMSUWAZKL-MSOLQXFVSA-N 1 1 348.874 4.022 20 30 EIEDMO CCCCCCCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001136108892 1049086783 /nfs/dbraw/zinc/08/67/83/1049086783.db2.gz GQFQFMCIROEHPQ-UHFFFAOYSA-N 1 1 330.516 4.124 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc(Cl)cc1 ZINC000811517560 1049102021 /nfs/dbraw/zinc/10/20/21/1049102021.db2.gz VSUDVYPRIIYGCX-GOSISDBHSA-N 1 1 327.859 4.044 20 30 EIEDMO Cc1cnn(CCCCC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000609536669 1049140585 /nfs/dbraw/zinc/14/05/85/1049140585.db2.gz UTFRWXUPPFKBHI-UHFFFAOYSA-N 1 1 338.499 4.392 20 30 EIEDMO COc1ccc(Cl)c2c1C[C@@H]([N@@H+](CCC#N)C1CCCC1)CC2 ZINC001171322032 1049272085 /nfs/dbraw/zinc/27/20/85/1049272085.db2.gz RBPNUZXFNFEGCW-HNNXBMFYSA-N 1 1 332.875 4.364 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819457367 1049319938 /nfs/dbraw/zinc/31/99/38/1049319938.db2.gz ACHLEZHAWWBFSY-VGOFRKELSA-N 1 1 349.478 4.391 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819457367 1049319950 /nfs/dbraw/zinc/31/99/50/1049319950.db2.gz ACHLEZHAWWBFSY-VGOFRKELSA-N 1 1 349.478 4.391 20 30 EIEDMO C=CC1(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254993 1049358778 /nfs/dbraw/zinc/35/87/78/1049358778.db2.gz HOGOSEKNRSRNKW-KDURUIRLSA-N 1 1 334.548 4.387 20 30 EIEDMO C[C@@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)c1ccncc1 ZINC000819817133 1049374943 /nfs/dbraw/zinc/37/49/43/1049374943.db2.gz WFCJKXXLVMPIOC-CQSZACIVSA-N 1 1 328.847 4.020 20 30 EIEDMO COc1ccc(F)cc1/C=C/C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000812243441 1049399305 /nfs/dbraw/zinc/39/93/05/1049399305.db2.gz MGZDXPGJNTUEGI-WEVVVXLNSA-N 1 1 336.366 4.225 20 30 EIEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)cc1C(F)(F)F ZINC000609964865 1049422321 /nfs/dbraw/zinc/42/23/21/1049422321.db2.gz DNUKIMOGOBXAOU-UHFFFAOYSA-N 1 1 337.389 4.032 20 30 EIEDMO COCC[N@@H+](CCCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000610132610 1049556440 /nfs/dbraw/zinc/55/64/40/1049556440.db2.gz KQQFOKBBQCOBIP-UHFFFAOYSA-N 1 1 342.870 4.293 20 30 EIEDMO C#CCOc1ccccc1CNc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000812784383 1049575650 /nfs/dbraw/zinc/57/56/50/1049575650.db2.gz LIQOQGPLNPUCSY-UHFFFAOYSA-N 1 1 331.419 4.113 20 30 EIEDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2)c1C ZINC000812785441 1049576612 /nfs/dbraw/zinc/57/66/12/1049576612.db2.gz QHDGXRFMOLNQEX-OAHLLOKOSA-N 1 1 346.434 4.392 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCC(C)C)c1)c1ccc(F)cc1 ZINC000812792480 1049581890 /nfs/dbraw/zinc/58/18/90/1049581890.db2.gz AIHBPTQTBMRNTC-IBGZPJMESA-N 1 1 341.426 4.333 20 30 EIEDMO C#CC[N@@H+](Cc1cncc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000812823429 1049585445 /nfs/dbraw/zinc/58/54/45/1049585445.db2.gz AHBNUXSETKENED-SFHVURJKSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[N@H+](Cc1cncc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000812823429 1049585455 /nfs/dbraw/zinc/58/54/55/1049585455.db2.gz AHBNUXSETKENED-SFHVURJKSA-N 1 1 330.353 4.223 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000812793172 1049591688 /nfs/dbraw/zinc/59/16/88/1049591688.db2.gz NPBAXBHNZZOYLZ-INIZCTEOSA-N 1 1 336.179 4.191 20 30 EIEDMO Cc1cccc(COc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)c1 ZINC000237650130 1049681080 /nfs/dbraw/zinc/68/10/80/1049681080.db2.gz RNHXLXAFEAMUGY-UHFFFAOYSA-N 1 1 332.403 4.329 20 30 EIEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458128 1049712504 /nfs/dbraw/zinc/71/25/04/1049712504.db2.gz NMOMGRZJBIAGAT-AZUAARDMSA-N 1 1 326.484 4.475 20 30 EIEDMO CCCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212273397 1049762400 /nfs/dbraw/zinc/76/24/00/1049762400.db2.gz RPVWOWAIOOCAKB-INIZCTEOSA-N 1 1 326.444 4.486 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC001171613683 1049765663 /nfs/dbraw/zinc/76/56/63/1049765663.db2.gz OPDGJSZPDILMDL-ULQDDVLXSA-N 1 1 349.519 4.036 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000822525526 1049766906 /nfs/dbraw/zinc/76/69/06/1049766906.db2.gz HUXPBZKKVVESET-QGZVFWFLSA-N 1 1 332.451 4.101 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(Br)cnc1C ZINC001248781268 1049810264 /nfs/dbraw/zinc/81/02/64/1049810264.db2.gz CYLCVDJXJSFAHZ-UHFFFAOYSA-N 1 1 331.257 4.341 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Br)cnc1C ZINC001248781268 1049810267 /nfs/dbraw/zinc/81/02/67/1049810267.db2.gz CYLCVDJXJSFAHZ-UHFFFAOYSA-N 1 1 331.257 4.341 20 30 EIEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)[C@H](C)COC ZINC001171916775 1049819614 /nfs/dbraw/zinc/81/96/14/1049819614.db2.gz POCIFTLOMJVERY-MRXNPFEDSA-N 1 1 343.467 4.248 20 30 EIEDMO CC1(C)C[C@H]([NH2+]CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001171972302 1049834530 /nfs/dbraw/zinc/83/45/30/1049834530.db2.gz PKLHMTBZQHSDMI-JOCHJYFZSA-N 1 1 347.506 4.134 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983005 1049838948 /nfs/dbraw/zinc/83/89/48/1049838948.db2.gz LVJSDHGWZQAJHC-JOCHJYFZSA-N 1 1 332.491 4.201 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983005 1049838950 /nfs/dbraw/zinc/83/89/50/1049838950.db2.gz LVJSDHGWZQAJHC-JOCHJYFZSA-N 1 1 332.491 4.201 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983005 1049838951 /nfs/dbraw/zinc/83/89/51/1049838951.db2.gz LVJSDHGWZQAJHC-JOCHJYFZSA-N 1 1 332.491 4.201 20 30 EIEDMO CCCCN(CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984605 1049841108 /nfs/dbraw/zinc/84/11/08/1049841108.db2.gz NSNFJZYRNRDDBX-FQEVSTJZSA-N 1 1 327.516 4.445 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075027 1049844462 /nfs/dbraw/zinc/84/44/62/1049844462.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 1 1 337.511 4.198 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075027 1049844466 /nfs/dbraw/zinc/84/44/66/1049844466.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 1 1 337.511 4.198 20 30 EIEDMO N#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172073563 1049844772 /nfs/dbraw/zinc/84/47/72/1049844772.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 1 1 337.511 4.198 20 30 EIEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172073563 1049844773 /nfs/dbraw/zinc/84/47/73/1049844773.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 1 1 337.511 4.198 20 30 EIEDMO N#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172064648 1049851071 /nfs/dbraw/zinc/85/10/71/1049851071.db2.gz IMKUTTXHWIXQPT-MZADTFQBSA-N 1 1 337.511 4.388 20 30 EIEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001172128207 1049853791 /nfs/dbraw/zinc/85/37/91/1049853791.db2.gz PXQFHPJRYURZGS-BWTSREIZSA-N 1 1 331.891 4.071 20 30 EIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC3CCC(C)(C#N)CC3)cc2)C1 ZINC000823529592 1049855101 /nfs/dbraw/zinc/85/51/01/1049855101.db2.gz VTDVSQLCLQXUSS-OCDPCBSRSA-N 1 1 341.499 4.292 20 30 EIEDMO CCc1ccc2c(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000823617449 1049863398 /nfs/dbraw/zinc/86/33/98/1049863398.db2.gz JJPSTQYLDZEOOT-HNNXBMFYSA-N 1 1 346.430 4.420 20 30 EIEDMO CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001172308507 1049874636 /nfs/dbraw/zinc/87/46/36/1049874636.db2.gz KWLONSJADIWGJR-QZTJIDSGSA-N 1 1 336.479 4.451 20 30 EIEDMO C=C(Br)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000805837678 1049874952 /nfs/dbraw/zinc/87/49/52/1049874952.db2.gz AVVSPUPCHWTRFR-UHFFFAOYSA-N 1 1 337.236 4.395 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313499 1049875674 /nfs/dbraw/zinc/87/56/74/1049875674.db2.gz XZWVFNJMGWBPFQ-KKSFZXQISA-N 1 1 348.446 4.113 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172318738 1049876536 /nfs/dbraw/zinc/87/65/36/1049876536.db2.gz HYMGMXXSUWZUMK-OXQOHEQNSA-N 1 1 337.492 4.141 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320606 1049877229 /nfs/dbraw/zinc/87/72/29/1049877229.db2.gz WRVPEYMVIBQPGT-YWZLYKJASA-N 1 1 340.467 4.418 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354283 1049893405 /nfs/dbraw/zinc/89/34/05/1049893405.db2.gz FZYPHKWRCHTLNK-ZSYWTGECSA-N 1 1 349.519 4.149 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001172355104 1049893898 /nfs/dbraw/zinc/89/38/98/1049893898.db2.gz NEEGEPUMAUXWIP-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001172357707 1049894703 /nfs/dbraw/zinc/89/47/03/1049894703.db2.gz LVUWCAZYOMIJOJ-QGZVFWFLSA-N 1 1 344.503 4.417 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172505533 1049923840 /nfs/dbraw/zinc/92/38/40/1049923840.db2.gz ONNDIMXWNVSUBM-ZWKOTPCHSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172505523 1049924116 /nfs/dbraw/zinc/92/41/16/1049924116.db2.gz ONNDIMXWNVSUBM-QZTJIDSGSA-N 1 1 335.536 4.495 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2Cl)no1 ZINC001212325145 1050059623 /nfs/dbraw/zinc/05/96/23/1050059623.db2.gz KJESXJONZIWDRU-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO CC#CCCCC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865924 1050116322 /nfs/dbraw/zinc/11/63/22/1050116322.db2.gz WDVAZMATCKJACI-UHFFFAOYSA-N 1 1 341.480 4.023 20 30 EIEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001173086718 1050300418 /nfs/dbraw/zinc/30/04/18/1050300418.db2.gz LGOJFQVQMWXMMY-ZFWWWQNUSA-N 1 1 326.362 4.142 20 30 EIEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001173086712 1050300453 /nfs/dbraw/zinc/30/04/53/1050300453.db2.gz LGOJFQVQMWXMMY-DZGCQCFKSA-N 1 1 326.362 4.142 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001173100768 1050302753 /nfs/dbraw/zinc/30/27/53/1050302753.db2.gz TXRGDXPAYLPMMJ-SOAGJPPSSA-N 1 1 342.483 4.139 20 30 EIEDMO CC(C)C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OCc1ccccc1 ZINC001173323879 1050417373 /nfs/dbraw/zinc/41/73/73/1050417373.db2.gz CEECEWAGVNQMCT-UUKMXZOPSA-N 1 1 342.483 4.207 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173336816 1050425913 /nfs/dbraw/zinc/42/59/13/1050425913.db2.gz NACSGEYYXCRQRL-LBXVMSDZSA-N 1 1 349.519 4.180 20 30 EIEDMO CN(Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339449 1050427383 /nfs/dbraw/zinc/42/73/83/1050427383.db2.gz PCOLMNPNLZRGHI-UHFFFAOYSA-N 1 1 325.500 4.055 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339553 1050427624 /nfs/dbraw/zinc/42/76/24/1050427624.db2.gz OOXWBYAOCGKKMQ-RRWXTXHCSA-N 1 1 340.467 4.473 20 30 EIEDMO CC[N@H+]1CC[C@H](N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001173367237 1050444195 /nfs/dbraw/zinc/44/41/95/1050444195.db2.gz FGYQNZCNWZBONR-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001173367237 1050444199 /nfs/dbraw/zinc/44/41/99/1050444199.db2.gz FGYQNZCNWZBONR-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001173367237 1050444211 /nfs/dbraw/zinc/44/42/11/1050444211.db2.gz FGYQNZCNWZBONR-GCJKJVERSA-N 1 1 333.479 4.216 20 30 EIEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431808 1050456614 /nfs/dbraw/zinc/45/66/14/1050456614.db2.gz NDPGVOIVROBNFF-UHFFFAOYSA-N 1 1 341.499 4.065 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001173594176 1050496625 /nfs/dbraw/zinc/49/66/25/1050496625.db2.gz UKPWVSXLZKAALE-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO CC(C)[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173595772 1050497837 /nfs/dbraw/zinc/49/78/37/1050497837.db2.gz WJJFNGITCZUHCL-GNZRSQJKSA-N 1 1 349.519 4.036 20 30 EIEDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173596755 1050499008 /nfs/dbraw/zinc/49/90/08/1050499008.db2.gz CJPSARFTSUPNOT-UHFFFAOYSA-N 1 1 342.483 4.304 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173600931 1050501284 /nfs/dbraw/zinc/50/12/84/1050501284.db2.gz MKKKWDRRDWUJMK-ZEVUXNIQSA-N 1 1 349.519 4.227 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173601433 1050502034 /nfs/dbraw/zinc/50/20/34/1050502034.db2.gz SZPWPWPLRKUAPX-HRTMPFAESA-N 1 1 337.511 4.199 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711582 1050552879 /nfs/dbraw/zinc/55/28/79/1050552879.db2.gz FLLINOLJTJIUBX-GMAHTHKFSA-N 1 1 346.474 4.358 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc1 ZINC000775150452 1050640176 /nfs/dbraw/zinc/64/01/76/1050640176.db2.gz JUSNOBDYAIFMST-CYBMUJFWSA-N 1 1 332.806 4.402 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc1 ZINC000775150452 1050640188 /nfs/dbraw/zinc/64/01/88/1050640188.db2.gz JUSNOBDYAIFMST-CYBMUJFWSA-N 1 1 332.806 4.402 20 30 EIEDMO Cc1cc(Nc2ccnc(C#N)c2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC001187921399 1050647565 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XKYLKHHWSANAEY-UHFFFAOYSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CC[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C(C)C ZINC001190590262 1051227928 /nfs/dbraw/zinc/22/79/28/1051227928.db2.gz XKYLKHHWSANAEY-UHFFFAOYSA-N 1 1 340.261 4.007 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000775398843 1051228680 /nfs/dbraw/zinc/22/86/80/1051228680.db2.gz CINSOYQSLLHSPZ-LJQANCHMSA-N 1 1 337.373 4.005 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153870338 1051237609 /nfs/dbraw/zinc/23/76/09/1051237609.db2.gz BACBNOFWBRMBPY-GOSISDBHSA-N 1 1 346.352 4.169 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC001190699973 1051246605 /nfs/dbraw/zinc/24/66/05/1051246605.db2.gz QTOJUJLQMGXWPA-OAHLLOKOSA-N 1 1 344.405 4.023 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC001190699973 1051246617 /nfs/dbraw/zinc/24/66/17/1051246617.db2.gz QTOJUJLQMGXWPA-OAHLLOKOSA-N 1 1 344.405 4.023 20 30 EIEDMO C#CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCCCC1 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EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001191012974 1051326719 /nfs/dbraw/zinc/32/67/19/1051326719.db2.gz DQKLDSRCSNOHPX-KRWDZBQOSA-N 1 1 330.472 4.094 20 30 EIEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191112937 1051355115 /nfs/dbraw/zinc/35/51/15/1051355115.db2.gz PFRASAZNEUCECI-ICSRJNTNSA-N 1 1 345.531 4.309 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164653 1051371681 /nfs/dbraw/zinc/37/16/81/1051371681.db2.gz IJDAGDVWWQFSCV-HZPDHXFCSA-N 1 1 340.389 4.212 20 30 EIEDMO CC(C)[C@@H](CO)[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306528 1051420979 /nfs/dbraw/zinc/42/09/79/1051420979.db2.gz QLTVUBMTEYHMLL-OAQYLSRUSA-N 1 1 341.882 4.211 20 30 EIEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001182205136 1051421511 /nfs/dbraw/zinc/42/15/11/1051421511.db2.gz WXROXFZMNFGUPA-NRFANRHFSA-N 1 1 342.483 4.041 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC001191390875 1051436355 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EIEDMO C=CC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506735 1051646247 /nfs/dbraw/zinc/64/62/47/1051646247.db2.gz CWVYNSWTLUIHTB-QIJUGHKUSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506735 1051646254 /nfs/dbraw/zinc/64/62/54/1051646254.db2.gz CWVYNSWTLUIHTB-QIJUGHKUSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000775506735 1051646262 /nfs/dbraw/zinc/64/62/62/1051646262.db2.gz CWVYNSWTLUIHTB-QIJUGHKUSA-N 1 1 335.495 4.199 20 30 EIEDMO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173278 1051647262 /nfs/dbraw/zinc/64/72/62/1051647262.db2.gz HTNRWMQIRNFFJL-OAQYLSRUSA-N 1 1 334.463 4.225 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CCCc2ccccc2)cc1 ZINC001192435223 1051714960 /nfs/dbraw/zinc/71/49/60/1051714960.db2.gz OXODMSKGNZFMQO-XZOQPEGZSA-N 1 1 348.490 4.469 20 30 EIEDMO CC[N@H+](CCC1CCN(Cc2cccc(C#N)c2F)CC1)CC(C)C ZINC001192489379 1051755378 /nfs/dbraw/zinc/75/53/78/1051755378.db2.gz DUWOKYDCHVTQGB-UHFFFAOYSA-N 1 1 345.506 4.277 20 30 EIEDMO CC[N@@H+](CCC1CCN(Cc2cccc(C#N)c2F)CC1)CC(C)C ZINC001192489379 1051755385 /nfs/dbraw/zinc/75/53/85/1051755385.db2.gz DUWOKYDCHVTQGB-UHFFFAOYSA-N 1 1 345.506 4.277 20 30 EIEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000775542329 1051790436 /nfs/dbraw/zinc/79/04/36/1051790436.db2.gz JIPNZIAYMLJYLS-NSHDSACASA-N 1 1 328.225 4.174 20 30 EIEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC001192919709 1051832971 /nfs/dbraw/zinc/83/29/71/1051832971.db2.gz YXHCVZSSBBFVQM-HNNXBMFYSA-N 1 1 341.236 4.394 20 30 EIEDMO CCC(C)(C)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC001192945463 1051835504 /nfs/dbraw/zinc/83/55/04/1051835504.db2.gz AGALYBNQOSXBEP-HXUWFJFHSA-N 1 1 327.516 4.040 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC001193012305 1051853665 /nfs/dbraw/zinc/85/36/65/1051853665.db2.gz PKGDIDYKAVPLNB-IBGZPJMESA-N 1 1 349.865 4.206 20 30 EIEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1(Cc2ccccc2)CCCC1 ZINC001175946015 1051864568 /nfs/dbraw/zinc/86/45/68/1051864568.db2.gz GWODJLCRBJWXLJ-UHFFFAOYSA-N 1 1 334.463 4.424 20 30 EIEDMO C#CC[N@H+](C[C@H](C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130424 1051926553 /nfs/dbraw/zinc/92/65/53/1051926553.db2.gz VIZOOONBYGFEND-INIZCTEOSA-N 1 1 336.520 4.003 20 30 EIEDMO C[C@]1(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C[C@@H]1c1ccccc1 ZINC001184044497 1051943787 /nfs/dbraw/zinc/94/37/87/1051943787.db2.gz BDVUKAAKEQZQKQ-BHIFYINESA-N 1 1 332.447 4.125 20 30 EIEDMO C[C@]1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C[C@@H]1c1ccccc1 ZINC001184044498 1051945320 /nfs/dbraw/zinc/94/53/20/1051945320.db2.gz BDVUKAAKEQZQKQ-YPAWHYETSA-N 1 1 332.447 4.125 20 30 EIEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)cc1Br ZINC001193913301 1052028260 /nfs/dbraw/zinc/02/82/60/1052028260.db2.gz ITOKPXOYLHTJGH-UHFFFAOYSA-N 1 1 345.712 4.042 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nc(Cc3cccc(F)c3)no2)CCCC1(C)C ZINC001193920990 1052027864 /nfs/dbraw/zinc/02/78/64/1052027864.db2.gz SHZBTIHKBFSIEH-KRWDZBQOSA-N 1 1 343.446 4.366 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC001193920422 1052029421 /nfs/dbraw/zinc/02/94/21/1052029421.db2.gz MYTMAIMYDMCLFV-HXUWFJFHSA-N 1 1 328.500 4.090 20 30 EIEDMO CSc1ccccc1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001193974341 1052034947 /nfs/dbraw/zinc/03/49/47/1052034947.db2.gz CEPNJIGPVJPQQE-UHFFFAOYSA-N 1 1 326.465 4.181 20 30 EIEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001194019249 1052050521 /nfs/dbraw/zinc/05/05/21/1052050521.db2.gz CBJGPYALIHPMFR-KRWDZBQOSA-N 1 1 329.463 4.200 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001176554333 1052131674 /nfs/dbraw/zinc/13/16/74/1052131674.db2.gz COOFPEXBXJRQED-HNNXBMFYSA-N 1 1 341.263 4.092 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC001194533508 1052163629 /nfs/dbraw/zinc/16/36/29/1052163629.db2.gz CAQAMDZLSBHDOT-HXUWFJFHSA-N 1 1 334.463 4.330 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176813616 1052195983 /nfs/dbraw/zinc/19/59/83/1052195983.db2.gz FVWDVGOPFVPECZ-GOSISDBHSA-N 1 1 342.483 4.130 20 30 EIEDMO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(CC#N)cc1 ZINC001176960458 1052210545 /nfs/dbraw/zinc/21/05/45/1052210545.db2.gz ZBXCZEFKYMVUGU-HNNXBMFYSA-N 1 1 339.508 4.356 20 30 EIEDMO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(CC#N)cc1 ZINC001176960458 1052210557 /nfs/dbraw/zinc/21/05/57/1052210557.db2.gz ZBXCZEFKYMVUGU-HNNXBMFYSA-N 1 1 339.508 4.356 20 30 EIEDMO CC(C)([NH2+]Cc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000072923975 1052636606 /nfs/dbraw/zinc/63/66/06/1052636606.db2.gz AIEFNXLNTCVXHK-UHFFFAOYSA-N 1 1 325.359 4.058 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000183830792 1052985065 /nfs/dbraw/zinc/98/50/65/1052985065.db2.gz NIECJRKOXSEBRE-QGZVFWFLSA-N 1 1 330.435 4.097 20 30 EIEDMO N#CCCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205673717 1053075709 /nfs/dbraw/zinc/07/57/09/1053075709.db2.gz YKOWQEUDRLALAW-CQSZACIVSA-N 1 1 327.255 4.278 20 30 EIEDMO N#CCCCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205673717 1053075727 /nfs/dbraw/zinc/07/57/27/1053075727.db2.gz YKOWQEUDRLALAW-CQSZACIVSA-N 1 1 327.255 4.278 20 30 EIEDMO C=C(Cl)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002535 1053227208 /nfs/dbraw/zinc/22/72/08/1053227208.db2.gz GXQLONDTZWNCBG-VQTJNVASSA-N 1 1 344.861 4.136 20 30 EIEDMO C=C(Cl)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002535 1053227231 /nfs/dbraw/zinc/22/72/31/1053227231.db2.gz GXQLONDTZWNCBG-VQTJNVASSA-N 1 1 344.861 4.136 20 30 EIEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195155097 1053305000 /nfs/dbraw/zinc/30/50/00/1053305000.db2.gz LXDWJHGFYCYGRR-HSALFYBXSA-N 1 1 326.484 4.089 20 30 EIEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155096 1053306875 /nfs/dbraw/zinc/30/68/75/1053306875.db2.gz LXDWJHGFYCYGRR-AQNXPRMDSA-N 1 1 326.484 4.089 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC(=O)c1coc(C#N)c1)C1CCCCC1 ZINC000864723181 1053352512 /nfs/dbraw/zinc/35/25/12/1053352512.db2.gz VVZUKFOOSIWADM-UHFFFAOYSA-N 1 1 337.423 4.168 20 30 EIEDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001195669576 1053447785 /nfs/dbraw/zinc/44/77/85/1053447785.db2.gz JOSXNQGKMUQYPA-HDICACEKSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1[C@H](C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001195669576 1053447791 /nfs/dbraw/zinc/44/77/91/1053447791.db2.gz JOSXNQGKMUQYPA-HDICACEKSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1[C@H](C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001195669576 1053447804 /nfs/dbraw/zinc/44/78/04/1053447804.db2.gz JOSXNQGKMUQYPA-HDICACEKSA-N 1 1 333.479 4.140 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N/C1CC([NH+]2CCCCC2)C1 ZINC000794846739 1053535451 /nfs/dbraw/zinc/53/54/51/1053535451.db2.gz CHQFCVAIRIVAIU-VXLYETTFSA-N 1 1 327.255 4.135 20 30 EIEDMO C=CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@H](C)COC ZINC001196047813 1053571126 /nfs/dbraw/zinc/57/11/26/1053571126.db2.gz FLUCNTOUEMOIRO-KEDPEKRHSA-N 1 1 338.289 4.375 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575066 /nfs/dbraw/zinc/57/50/66/1053575066.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 1 1 339.527 4.160 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575075 /nfs/dbraw/zinc/57/50/75/1053575075.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 1 1 339.527 4.160 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1F ZINC000852521361 1053587201 /nfs/dbraw/zinc/58/72/01/1053587201.db2.gz OCLFRTICMHOLJU-IBGZPJMESA-N 1 1 340.398 4.074 20 30 EIEDMO Cc1csc(C2([NH2+]Cc3cccc(OCCCC#N)c3)CCC2)n1 ZINC000338951809 1053604065 /nfs/dbraw/zinc/60/40/65/1053604065.db2.gz BYQOAGCMHIIGGP-UHFFFAOYSA-N 1 1 341.480 4.303 20 30 EIEDMO Cc1cncc(C[N@@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)n1 ZINC001203175248 1053652371 /nfs/dbraw/zinc/65/23/71/1053652371.db2.gz LUKSLIJOESOCRL-GOSISDBHSA-N 1 1 342.446 4.420 20 30 EIEDMO Cc1cncc(C[N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)n1 ZINC001203175248 1053652380 /nfs/dbraw/zinc/65/23/80/1053652380.db2.gz LUKSLIJOESOCRL-GOSISDBHSA-N 1 1 342.446 4.420 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1O ZINC000866220492 1053653715 /nfs/dbraw/zinc/65/37/15/1053653715.db2.gz HLSKHEOOPRMYKX-RYUDHWBXSA-N 1 1 332.350 4.277 20 30 EIEDMO C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866267235 1053669061 /nfs/dbraw/zinc/66/90/61/1053669061.db2.gz BVMBUFLLLLGSSW-IAGOWNOFSA-N 1 1 349.478 4.140 20 30 EIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000265963367 1053680197 /nfs/dbraw/zinc/68/01/97/1053680197.db2.gz LEOWMVDQFKKXJV-JKSUJKDBSA-N 1 1 345.874 4.047 20 30 EIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000265963367 1053680206 /nfs/dbraw/zinc/68/02/06/1053680206.db2.gz LEOWMVDQFKKXJV-JKSUJKDBSA-N 1 1 345.874 4.047 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)C[C@H](C)C2CCCCC2)c(C#N)c1C ZINC001196819039 1053780845 /nfs/dbraw/zinc/78/08/45/1053780845.db2.gz QMOFRKPHBJIKLK-ZDUSSCGKSA-N 1 1 347.528 4.323 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936787 1053809031 /nfs/dbraw/zinc/80/90/31/1053809031.db2.gz URFIWZIAIZBTQV-RXVVDRJESA-N 1 1 325.500 4.206 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001196984135 1053817649 /nfs/dbraw/zinc/81/76/49/1053817649.db2.gz YDKMAXMJKDBYKE-CRAIPNDOSA-N 1 1 330.435 4.375 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160970 1053864357 /nfs/dbraw/zinc/86/43/57/1053864357.db2.gz XGKLXDLTDZOAFS-IBGZPJMESA-N 1 1 336.435 4.221 20 30 EIEDMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000130772565 1053871270 /nfs/dbraw/zinc/87/12/70/1053871270.db2.gz JPIWNITVVJPXLC-UHFFFAOYSA-N 1 1 336.826 4.234 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001197599923 1053953206 /nfs/dbraw/zinc/95/32/06/1053953206.db2.gz ASKSTBQTCCSXAV-HZPDHXFCSA-N 1 1 336.545 4.265 20 30 EIEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785139 1053994873 /nfs/dbraw/zinc/99/48/73/1053994873.db2.gz BDMJMIQORWKTMT-MRXNPFEDSA-N 1 1 342.446 4.143 20 30 EIEDMO CN(C[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC001197871941 1054011148 /nfs/dbraw/zinc/01/11/48/1054011148.db2.gz BWFZZEDOVZJBKW-INIZCTEOSA-N 1 1 337.508 4.038 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC001197921185 1054023290 /nfs/dbraw/zinc/02/32/90/1054023290.db2.gz NKWNWRQYZUHGOE-MRXNPFEDSA-N 1 1 330.884 4.103 20 30 EIEDMO CC1(C)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001198202832 1054094337 /nfs/dbraw/zinc/09/43/37/1054094337.db2.gz ROPZTJHMDLHNSS-RTWAWAEBSA-N 1 1 334.463 4.107 20 30 EIEDMO CCOc1ccc(CC[N@@H+](C)CC#Cc2ccccc2Cl)cc1 ZINC001198523921 1054174910 /nfs/dbraw/zinc/17/49/10/1054174910.db2.gz AVJGXGBYICILGM-UHFFFAOYSA-N 1 1 327.855 4.265 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC001198694179 1054226201 /nfs/dbraw/zinc/22/62/01/1054226201.db2.gz BGOYOXMBJJJTLR-GFCCVEGCSA-N 1 1 330.815 4.080 20 30 EIEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC001198800464 1054271146 /nfs/dbraw/zinc/27/11/46/1054271146.db2.gz LMDACRKXKHVRDX-KRWDZBQOSA-N 1 1 339.401 4.194 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017336 1054401446 /nfs/dbraw/zinc/40/14/46/1054401446.db2.gz NPKYQVQOYRRTCM-HRAATJIYSA-N 1 1 347.462 4.435 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2OCC2CCCC2)no1 ZINC000872177571 1054422304 /nfs/dbraw/zinc/42/23/04/1054422304.db2.gz KPNIJJJBGLMVRT-HNNXBMFYSA-N 1 1 347.846 4.448 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000872177633 1054422431 /nfs/dbraw/zinc/42/24/31/1054422431.db2.gz LUBHZHWAAWNRGF-LBPRGKRZSA-N 1 1 346.645 4.304 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C)ccc1SC ZINC000186191395 1054556135 /nfs/dbraw/zinc/55/61/35/1054556135.db2.gz ZTGMAZSGOFKKPF-UHFFFAOYSA-N 1 1 326.465 4.229 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932901 1054648155 /nfs/dbraw/zinc/64/81/55/1054648155.db2.gz REBXQHBSFJUZCK-KGLIPLIRSA-N 1 1 330.378 4.449 20 30 EIEDMO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000776153942 1054747056 /nfs/dbraw/zinc/74/70/56/1054747056.db2.gz KZEQQKJCPLFHPM-DYESRHJHSA-N 1 1 343.515 4.140 20 30 EIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201487185 1054814526 /nfs/dbraw/zinc/81/45/26/1054814526.db2.gz QYERUGVQVMMPFF-FPOVZHCZSA-N 1 1 332.532 4.402 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486437 1054815588 /nfs/dbraw/zinc/81/55/88/1054815588.db2.gz JTQHXPXESCXXBM-CTNGQTDRSA-N 1 1 332.532 4.402 20 30 EIEDMO N#Cc1cc(F)cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201475632 1054829060 /nfs/dbraw/zinc/82/90/60/1054829060.db2.gz XCCJLQYTXYLJEC-RTWAWAEBSA-N 1 1 333.410 4.430 20 30 EIEDMO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1F ZINC001201475729 1054829882 /nfs/dbraw/zinc/82/98/82/1054829882.db2.gz YTZBAKKQCPWADN-UXHICEINSA-N 1 1 333.410 4.430 20 30 EIEDMO N#Cc1ccc(F)cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201478036 1054831785 /nfs/dbraw/zinc/83/17/85/1054831785.db2.gz RWCBCNUUYFDHGM-UXHICEINSA-N 1 1 333.410 4.430 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001201762759 1054899703 /nfs/dbraw/zinc/89/97/03/1054899703.db2.gz TUDYHGJFKKAVLC-LEWJYISDSA-N 1 1 346.515 4.192 20 30 EIEDMO CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776523 1054914913 /nfs/dbraw/zinc/91/49/13/1054914913.db2.gz DZZOWWMAOOIBKB-NRFANRHFSA-N 1 1 343.515 4.009 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001201776736 1054915337 /nfs/dbraw/zinc/91/53/37/1054915337.db2.gz JMLPWLDOPJEOJV-XUVXKRRUSA-N 1 1 332.488 4.053 20 30 EIEDMO CCCCCCC[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001201776909 1054918829 /nfs/dbraw/zinc/91/88/29/1054918829.db2.gz OVXCDGKRFFIQGB-KRWDZBQOSA-N 1 1 342.487 4.204 20 30 EIEDMO CCCCCCC[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001201776909 1054918841 /nfs/dbraw/zinc/91/88/41/1054918841.db2.gz OVXCDGKRFFIQGB-KRWDZBQOSA-N 1 1 342.487 4.204 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201853030 1054922838 /nfs/dbraw/zinc/92/28/38/1054922838.db2.gz YRXZVHXIFRLOOX-UHFFFAOYSA-N 1 1 349.519 4.406 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201853030 1054922852 /nfs/dbraw/zinc/92/28/52/1054922852.db2.gz YRXZVHXIFRLOOX-UHFFFAOYSA-N 1 1 349.519 4.406 20 30 EIEDMO C#CCOc1ccc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC001201865340 1054924959 /nfs/dbraw/zinc/92/49/59/1054924959.db2.gz ZVPPTNMCHWZWGF-UHFFFAOYSA-N 1 1 331.419 4.075 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201838672 1054931661 /nfs/dbraw/zinc/93/16/61/1054931661.db2.gz BWTOCUKUYDKDRX-UHFFFAOYSA-N 1 1 330.476 4.028 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001201875126 1054939940 /nfs/dbraw/zinc/93/99/40/1054939940.db2.gz QFOUBEUADKXJRX-UHFFFAOYSA-N 1 1 344.503 4.418 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201970765 1054971294 /nfs/dbraw/zinc/97/12/94/1054971294.db2.gz BHQXRQLRIUOJBX-ICSRJNTNSA-N 1 1 345.531 4.295 20 30 EIEDMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876941085 1054985183 /nfs/dbraw/zinc/98/51/83/1054985183.db2.gz HBKIIYHTPFSXCV-HNNXBMFYSA-N 1 1 329.831 4.311 20 30 EIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876936006 1054985212 /nfs/dbraw/zinc/98/52/12/1054985212.db2.gz GNAFQTZVTBNHCP-CYBMUJFWSA-N 1 1 329.831 4.245 20 30 EIEDMO N#CCOc1cccc(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877169178 1055029778 /nfs/dbraw/zinc/02/97/78/1055029778.db2.gz JALPTEHFFWMVIN-KNQAVFIVSA-N 1 1 347.462 4.369 20 30 EIEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(F)cc(F)c3F)CC2)cc1 ZINC001137875383 1055034958 /nfs/dbraw/zinc/03/49/58/1055034958.db2.gz TXHNRVYZQRHRNP-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccco1 ZINC000671759988 1055047416 /nfs/dbraw/zinc/04/74/16/1055047416.db2.gz GPHUBNFSFISVRT-GOSISDBHSA-N 1 1 325.456 4.380 20 30 EIEDMO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C[C@H](C)CCC#N ZINC000877461115 1055056286 /nfs/dbraw/zinc/05/62/86/1055056286.db2.gz ZLHSYYMMZXFERS-MRXNPFEDSA-N 1 1 345.487 4.052 20 30 EIEDMO C#CCCCCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000877475870 1055061641 /nfs/dbraw/zinc/06/16/41/1055061641.db2.gz PBLWWFFJPDLQAN-GOSISDBHSA-N 1 1 345.487 4.074 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000877522531 1055070646 /nfs/dbraw/zinc/07/06/46/1055070646.db2.gz BQJLYWNQBCTBGS-CQSZACIVSA-N 1 1 343.393 4.285 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)n1 ZINC000877763588 1055120024 /nfs/dbraw/zinc/12/00/24/1055120024.db2.gz CYZUXLUGRKVZTB-HXUWFJFHSA-N 1 1 345.450 4.241 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)cc1OC ZINC000877814173 1055126540 /nfs/dbraw/zinc/12/65/40/1055126540.db2.gz VEXLLDOSKXESSZ-INIZCTEOSA-N 1 1 344.480 4.014 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903638 1055149252 /nfs/dbraw/zinc/14/92/52/1055149252.db2.gz ZILHSWGVTIEIMZ-UYAOXDASSA-N 1 1 338.476 4.326 20 30 EIEDMO CN(Cc1ccco1)Cc1cc(C#N)cc(C[N@H+](C)Cc2ccco2)c1 ZINC000877906330 1055149405 /nfs/dbraw/zinc/14/94/05/1055149405.db2.gz OOOZAEYGPIQPGC-UHFFFAOYSA-N 1 1 349.434 4.008 20 30 EIEDMO CN(Cc1ccco1)Cc1cc(C#N)cc(C[N@@H+](C)Cc2ccco2)c1 ZINC000877906330 1055149411 /nfs/dbraw/zinc/14/94/11/1055149411.db2.gz OOOZAEYGPIQPGC-UHFFFAOYSA-N 1 1 349.434 4.008 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2ccccc2[C@H]1C)c1ccccc1 ZINC000878082815 1055184129 /nfs/dbraw/zinc/18/41/29/1055184129.db2.gz GIPIBDLYJAGGSR-VGOFRKELSA-N 1 1 332.447 4.046 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(Br)n1 ZINC000794530743 1055201132 /nfs/dbraw/zinc/20/11/32/1055201132.db2.gz VQNQGRFJIRNOOD-UHFFFAOYSA-N 1 1 331.257 4.422 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+]([C@@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267632 1055226212 /nfs/dbraw/zinc/22/62/12/1055226212.db2.gz CSXNVENAWFACBN-KKSFZXQISA-N 1 1 336.435 4.246 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]([C@@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267632 1055226238 /nfs/dbraw/zinc/22/62/38/1055226238.db2.gz CSXNVENAWFACBN-KKSFZXQISA-N 1 1 336.435 4.246 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@H]12 ZINC000075625391 1055256897 /nfs/dbraw/zinc/25/68/97/1055256897.db2.gz GYMTZRTWTYBBGX-OLMNPRSZSA-N 1 1 336.439 4.009 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404964 1055291753 /nfs/dbraw/zinc/29/17/53/1055291753.db2.gz ACGMCHWJZYDUPR-JTHBVZDNSA-N 1 1 346.474 4.225 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCC3(CC3)CC2)c2ccccc21 ZINC000626113652 1055799675 /nfs/dbraw/zinc/79/96/75/1055799675.db2.gz AIUHJOZLKOBTHR-UHFFFAOYSA-N 1 1 335.451 4.004 20 30 EIEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067410 1055838319 /nfs/dbraw/zinc/83/83/19/1055838319.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067410 1055838337 /nfs/dbraw/zinc/83/83/37/1055838337.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067410 1055838343 /nfs/dbraw/zinc/83/83/43/1055838343.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 1 1 333.479 4.140 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(C)c2ccccc2n1 ZINC000107896426 1055892259 /nfs/dbraw/zinc/89/22/59/1055892259.db2.gz JXEMMBBZJLAIHH-UHFFFAOYSA-N 1 1 330.435 4.222 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(C)c2ccccc2n1 ZINC000107896426 1055892264 /nfs/dbraw/zinc/89/22/64/1055892264.db2.gz JXEMMBBZJLAIHH-UHFFFAOYSA-N 1 1 330.435 4.222 20 30 EIEDMO N#Cc1ccc(NCCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000301266538 1055913881 /nfs/dbraw/zinc/91/38/81/1055913881.db2.gz UFXHBCMNPQCFTP-UHFFFAOYSA-N 1 1 336.826 4.111 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301458071 1055938923 /nfs/dbraw/zinc/93/89/23/1055938923.db2.gz ZJASOYUUJGCICA-ACJLOTCBSA-N 1 1 347.434 4.393 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301455413 1055939135 /nfs/dbraw/zinc/93/91/35/1055939135.db2.gz YRWYFDYHFZEDDO-KDOFPFPSSA-N 1 1 329.444 4.254 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 ZINC000301746784 1055977995 /nfs/dbraw/zinc/97/79/95/1055977995.db2.gz QHNYXHMVYPENHY-JTQLQIEISA-N 1 1 343.843 4.335 20 30 EIEDMO CC(=O)c1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000302032781 1056011337 /nfs/dbraw/zinc/01/13/37/1056011337.db2.gz NXVYWQISQLDMDB-UHFFFAOYSA-N 1 1 348.381 4.006 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000302099611 1056016257 /nfs/dbraw/zinc/01/62/57/1056016257.db2.gz KTEIFSMHURERNL-IIBYNOLFSA-N 1 1 347.462 4.083 20 30 EIEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057439278 1056061064 /nfs/dbraw/zinc/06/10/64/1056061064.db2.gz ONVYPIGMJPLYIH-AWEZNQCLSA-N 1 1 345.512 4.092 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2c(C#N)cccc2C#N)cc1 ZINC000302855307 1056080158 /nfs/dbraw/zinc/08/01/58/1056080158.db2.gz ROVIJJBFAXEKML-KRWDZBQOSA-N 1 1 344.462 4.416 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccc(F)c2)cc1 ZINC000057660644 1056095118 /nfs/dbraw/zinc/09/51/18/1056095118.db2.gz IOGXXDBOYJSEBB-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000111218314 1056774272 /nfs/dbraw/zinc/77/42/72/1056774272.db2.gz DEMHMVOLWJHBAK-QGZVFWFLSA-N 1 1 345.368 4.263 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000111261498 1056780082 /nfs/dbraw/zinc/78/00/82/1056780082.db2.gz HFSKOHFPAOFXGC-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO C=CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC1CCCCC1 ZINC000741786813 1058371719 /nfs/dbraw/zinc/37/17/19/1058371719.db2.gz FJGAMXFHXLXOOH-IBGZPJMESA-N 1 1 328.456 4.080 20 30 EIEDMO C=C(C)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000742263677 1058559663 /nfs/dbraw/zinc/55/96/63/1058559663.db2.gz TZFVYXHXBXCSPA-IBGZPJMESA-N 1 1 329.827 4.366 20 30 EIEDMO CCCCCCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000742948960 1058820944 /nfs/dbraw/zinc/82/09/44/1058820944.db2.gz IFQYRAQOKSQCTD-HXUWFJFHSA-N 1 1 330.516 4.327 20 30 EIEDMO Cn1cc[nH+]c1C[C@@H](/N=C\c1cc(Cl)ccc1O)c1ccccc1 ZINC000743045046 1058849805 /nfs/dbraw/zinc/84/98/05/1058849805.db2.gz XCEGVVINRMXSCL-VYZAVGSRSA-N 1 1 339.826 4.182 20 30 EIEDMO CCCCCC[C@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000743450170 1058998140 /nfs/dbraw/zinc/99/81/40/1058998140.db2.gz HDKXASDZBQPPQB-MSOLQXFVSA-N 1 1 330.520 4.228 20 30 EIEDMO C#CCOc1ccc([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766409450 1060339461 /nfs/dbraw/zinc/33/94/61/1060339461.db2.gz PLUZLDSKWUMWRH-SFHVURJKSA-N 1 1 340.511 4.146 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)cc1 ZINC000766491478 1060383871 /nfs/dbraw/zinc/38/38/71/1060383871.db2.gz PAMOOKRFDIPKMV-ONNFQVAWSA-N 1 1 327.387 4.257 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000766900787 1061049038 /nfs/dbraw/zinc/04/90/38/1061049038.db2.gz FAYKBZDNJRINDM-UHFFFAOYSA-N 1 1 336.435 4.217 20 30 EIEDMO CCC1(CC)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000766998256 1061084078 /nfs/dbraw/zinc/08/40/78/1061084078.db2.gz JXHMURDJLLPWBR-UHFFFAOYSA-N 1 1 338.904 4.350 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668291 526252240 /nfs/dbraw/zinc/25/22/40/526252240.db2.gz QPYWJLCIMSKXBH-SFHVURJKSA-N 1 1 333.479 4.222 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668291 526252243 /nfs/dbraw/zinc/25/22/43/526252243.db2.gz QPYWJLCIMSKXBH-SFHVURJKSA-N 1 1 333.479 4.222 20 30 EIEDMO C=CCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000449861960 1032084423 /nfs/dbraw/zinc/08/44/23/1032084423.db2.gz UHOGPSSFHQFFGK-MOPGFXCFSA-N 1 1 332.532 4.236 20 30 EIEDMO CCN(CC)c1ncc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000508621243 1032230454 /nfs/dbraw/zinc/23/04/54/1032230454.db2.gz SPOWYUTTYJQJCO-HNNXBMFYSA-N 1 1 342.512 4.444 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340635 1032249598 /nfs/dbraw/zinc/24/95/98/1032249598.db2.gz AYHZVJXCEFZEOV-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340635 1032249612 /nfs/dbraw/zinc/24/96/12/1032249612.db2.gz AYHZVJXCEFZEOV-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245407585 1032254963 /nfs/dbraw/zinc/25/49/63/1032254963.db2.gz BTAGYGKRGPKYEX-HZPDHXFCSA-N 1 1 341.282 4.213 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245407584 1032255665 /nfs/dbraw/zinc/25/56/65/1032255665.db2.gz BTAGYGKRGPKYEX-CVEARBPZSA-N 1 1 341.282 4.213 20 30 EIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC001211975738 1032268042 /nfs/dbraw/zinc/26/80/42/1032268042.db2.gz OPYGKHBNGYDZHF-WMZOPIPTSA-N 1 1 343.471 4.123 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC#N)cc1 ZINC000729686012 1032268780 /nfs/dbraw/zinc/26/87/80/1032268780.db2.gz RIWIGPDHXSAYRA-GFCCVEGCSA-N 1 1 345.786 4.001 20 30 EIEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCCC1 ZINC000450514292 1032539018 /nfs/dbraw/zinc/53/90/18/1032539018.db2.gz CUVWGHHKRXKSNE-MSOLQXFVSA-N 1 1 332.532 4.282 20 30 EIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC(C)(C)C)c1C#N ZINC000533278156 1032582441 /nfs/dbraw/zinc/58/24/41/1032582441.db2.gz DXZVJLWXRAGWPI-UHFFFAOYSA-N 1 1 344.503 4.008 20 30 EIEDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000533289216 1032602070 /nfs/dbraw/zinc/60/20/70/1032602070.db2.gz AFEKXFOADJZWDI-SFHVURJKSA-N 1 1 337.423 4.016 20 30 EIEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000533289216 1032602101 /nfs/dbraw/zinc/60/21/01/1032602101.db2.gz AFEKXFOADJZWDI-SFHVURJKSA-N 1 1 337.423 4.016 20 30 EIEDMO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000339414971 1018856370 /nfs/dbraw/zinc/85/63/70/1018856370.db2.gz KQRZWZLYTLQCMS-UHFFFAOYSA-N 1 1 336.435 4.130 20 30 EIEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510074324 1019071888 /nfs/dbraw/zinc/07/18/88/1019071888.db2.gz UWWQJXVIGUSOER-AZUAARDMSA-N 1 1 340.511 4.172 20 30 EIEDMO C=CC[N@H+](CCCc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610213005 1019363640 /nfs/dbraw/zinc/36/36/40/1019363640.db2.gz WSSGMVPWVYZNKA-UHFFFAOYSA-N 1 1 340.423 4.224 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430235371 1019551720 /nfs/dbraw/zinc/55/17/20/1019551720.db2.gz DELKUOPTASSFHK-CJNGLKHVSA-N 1 1 342.252 4.052 20 30 EIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000154240389 1019645467 /nfs/dbraw/zinc/64/54/67/1019645467.db2.gz RAFZPPYFFRVUEA-WNSKOXEYSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000154240389 1019645475 /nfs/dbraw/zinc/64/54/75/1019645475.db2.gz RAFZPPYFFRVUEA-WNSKOXEYSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000154240469 1019647166 /nfs/dbraw/zinc/64/71/66/1019647166.db2.gz RAFZPPYFFRVUEA-CMJOXMDJSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000154240469 1019647179 /nfs/dbraw/zinc/64/71/79/1019647179.db2.gz RAFZPPYFFRVUEA-CMJOXMDJSA-N 1 1 345.895 4.122 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001167084036 1019743299 /nfs/dbraw/zinc/74/32/99/1019743299.db2.gz JXHPHIPCSNNBHY-LJQANCHMSA-N 1 1 326.827 4.428 20 30 EIEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208860259 1019754596 /nfs/dbraw/zinc/75/45/96/1019754596.db2.gz IOKWQBLLMKDSQI-GOSISDBHSA-N 1 1 336.479 4.453 20 30 EIEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001167084721 1019763505 /nfs/dbraw/zinc/76/35/05/1019763505.db2.gz ONPDPPLHHNQPJA-UHFFFAOYSA-N 1 1 328.843 4.421 20 30 EIEDMO C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000500748445 1032862747 /nfs/dbraw/zinc/86/27/47/1032862747.db2.gz HBOYIVLIMPDWEF-UHFFFAOYSA-N 1 1 344.842 4.219 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000237498113 1032867681 /nfs/dbraw/zinc/86/76/81/1032867681.db2.gz AYNRKUCMSDMQMW-HNNXBMFYSA-N 1 1 349.459 4.391 20 30 EIEDMO CC[N@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000547766156 1020170841 /nfs/dbraw/zinc/17/08/41/1020170841.db2.gz BIBWGODPEUUAPE-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000547766156 1020170848 /nfs/dbraw/zinc/17/08/48/1020170848.db2.gz BIBWGODPEUUAPE-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218880 /nfs/dbraw/zinc/21/88/80/1020218880.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 1 1 347.506 4.387 20 30 EIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218883 /nfs/dbraw/zinc/21/88/83/1020218883.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218895 /nfs/dbraw/zinc/21/88/95/1020218895.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218900 /nfs/dbraw/zinc/21/89/00/1020218900.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 1 1 347.506 4.387 20 30 EIEDMO C=CCCCCC[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001209432848 1020326853 /nfs/dbraw/zinc/32/68/53/1020326853.db2.gz KWXKHPKLLWHCGW-SFHVURJKSA-N 1 1 327.472 4.245 20 30 EIEDMO C#CC[N@H+](C[C@@H](C)COCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167178903 1020485962 /nfs/dbraw/zinc/48/59/62/1020485962.db2.gz OQRCHKJRTAYKEX-XXBNENTESA-N 1 1 333.475 4.462 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccc(C#N)cc1 ZINC000275375836 1020572600 /nfs/dbraw/zinc/57/26/00/1020572600.db2.gz WPVSTOYLSVQRDT-GHMZBOCLSA-N 1 1 348.219 4.267 20 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EIEDMO CCCC[N@@H+](C)CC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613413718 1021979057 /nfs/dbraw/zinc/97/90/57/1021979057.db2.gz BJMFBBPHECJHEH-UHFFFAOYSA-N 1 1 342.531 4.199 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180170024 1022096431 /nfs/dbraw/zinc/09/64/31/1022096431.db2.gz MDDADLSRANAINR-YLJYHZDGSA-N 1 1 334.467 4.113 20 30 EIEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000134258067 1022172658 /nfs/dbraw/zinc/17/26/58/1022172658.db2.gz SGGWSTLEQGKZDJ-LJQANCHMSA-N 1 1 347.462 4.012 20 30 EIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC000582674669 1022214240 /nfs/dbraw/zinc/21/42/40/1022214240.db2.gz NQFQNDZQDSFLGA-UHFFFAOYSA-N 1 1 333.357 4.037 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046797 1022424072 /nfs/dbraw/zinc/42/40/72/1022424072.db2.gz VUVHAGQJJRYXQE-CYBMUJFWSA-N 1 1 346.377 4.361 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1C#N ZINC000582878036 1022473538 /nfs/dbraw/zinc/47/35/38/1022473538.db2.gz BXQDWVMEYZLARO-HXUWFJFHSA-N 1 1 334.419 4.072 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1C#N ZINC000582878036 1022473567 /nfs/dbraw/zinc/47/35/67/1022473567.db2.gz BXQDWVMEYZLARO-HXUWFJFHSA-N 1 1 334.419 4.072 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954078 1022618610 /nfs/dbraw/zinc/61/86/10/1022618610.db2.gz POQOEVIMKKWVMC-DOTOQJQBSA-N 1 1 330.497 4.438 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cc1Br ZINC001167439516 1022720971 /nfs/dbraw/zinc/72/09/71/1022720971.db2.gz YOZCCVLLWUQCPM-MRRJBJDNSA-N 1 1 333.273 4.474 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620723 1022752898 /nfs/dbraw/zinc/75/28/98/1022752898.db2.gz SRXYCCRLAWDOIW-WMLDXEAASA-N 1 1 330.453 4.081 20 30 EIEDMO Cc1cc(C#N)cc(C)c1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001167443161 1022803673 /nfs/dbraw/zinc/80/36/73/1022803673.db2.gz NWZAMWCSLIUKKR-HXUWFJFHSA-N 1 1 347.506 4.272 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC001167443161 1022803674 /nfs/dbraw/zinc/80/36/74/1022803674.db2.gz NWZAMWCSLIUKKR-HXUWFJFHSA-N 1 1 347.506 4.272 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC001167443161 1022803675 /nfs/dbraw/zinc/80/36/75/1022803675.db2.gz NWZAMWCSLIUKKR-HXUWFJFHSA-N 1 1 347.506 4.272 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444914 1022822625 /nfs/dbraw/zinc/82/26/25/1022822625.db2.gz YVRNDROJHKWWTN-BQFCYCMXSA-N 1 1 339.508 4.181 20 30 EIEDMO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065499 1022849201 /nfs/dbraw/zinc/84/92/01/1022849201.db2.gz XZENSHBJDREWAS-WIYYLYMNSA-N 1 1 333.479 4.121 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(Br)c1 ZINC000181230068 1022896857 /nfs/dbraw/zinc/89/68/57/1022896857.db2.gz UXYOXLUKWAVRHR-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OC)c(C#N)c2)s1 ZINC000135097617 1023080547 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EIEDMO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)Cc1cccc(C#N)c1 ZINC000512036927 1025814565 /nfs/dbraw/zinc/81/45/65/1025814565.db2.gz MOJHHCUCQCSVJY-UHFFFAOYSA-N 1 1 340.496 4.049 20 30 EIEDMO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc3cn[nH]c3c2)CC1 ZINC000585765389 1025827411 /nfs/dbraw/zinc/82/74/11/1025827411.db2.gz AQVOBHOMLMKDDY-UHFFFAOYSA-N 1 1 344.462 4.099 20 30 EIEDMO CCOc1ccc(C2=CC[N@H+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000539219852 1025884137 /nfs/dbraw/zinc/88/41/37/1025884137.db2.gz ZSKQVPXFZWEVJB-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000539219852 1025884140 /nfs/dbraw/zinc/88/41/40/1025884140.db2.gz ZSKQVPXFZWEVJB-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000438128285 1025887911 /nfs/dbraw/zinc/88/79/11/1025887911.db2.gz OCSIQYNPYZMSPH-ZRBLBEILSA-N 1 1 346.474 4.442 20 30 EIEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OC ZINC000539254967 1025913878 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EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)o1 ZINC000344416549 1026386894 /nfs/dbraw/zinc/38/68/94/1026386894.db2.gz HYZDQTTUHXPPIA-FQEVSTJZSA-N 1 1 330.387 4.432 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000582329279 1026456848 /nfs/dbraw/zinc/45/68/48/1026456848.db2.gz ITAVKIZOEITPIJ-FQEVSTJZSA-N 1 1 345.490 4.125 20 30 EIEDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000511113879 1026567881 /nfs/dbraw/zinc/56/78/81/1026567881.db2.gz GFAZWZVYBGUGTM-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000511113879 1026567890 /nfs/dbraw/zinc/56/78/90/1026567890.db2.gz GFAZWZVYBGUGTM-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CCN(CC)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000507151710 1026672635 /nfs/dbraw/zinc/67/26/35/1026672635.db2.gz JSQSBVBEFQVRFF-UHFFFAOYSA-N 1 1 342.512 4.272 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1ccncc1 ZINC000507191543 1026697945 /nfs/dbraw/zinc/69/79/45/1026697945.db2.gz IFHFVAUZFDRDFM-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cccc(C#N)c1 ZINC000507212751 1026703299 /nfs/dbraw/zinc/70/32/99/1026703299.db2.gz OVVIWZGKUVQVDH-UHFFFAOYSA-N 1 1 347.374 4.358 20 30 EIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360119 1026803488 /nfs/dbraw/zinc/80/34/88/1026803488.db2.gz SIAPEVLQJQJPAU-LEWJYISDSA-N 1 1 344.462 4.364 20 30 EIEDMO CC1CCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507570434 1026835370 /nfs/dbraw/zinc/83/53/70/1026835370.db2.gz UGNADDMYXXNRLX-UHFFFAOYSA-N 1 1 339.527 4.102 20 30 EIEDMO Cc1ccc2nc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)[nH]c2c1 ZINC000507612630 1026853745 /nfs/dbraw/zinc/85/37/45/1026853745.db2.gz GIYXPCZQJPXDQM-UHFFFAOYSA-N 1 1 344.462 4.365 20 30 EIEDMO COc1cccc(C[N@@H+](CCCC(C)(C)C#N)C2CCC(O)CC2)c1 ZINC000472243581 1026957325 /nfs/dbraw/zinc/95/73/25/1026957325.db2.gz SCVQENJZFNKLFF-UHFFFAOYSA-N 1 1 344.499 4.131 20 30 EIEDMO CC[N@@H+](CCC1(C#N)CCCCC1)[C@@H](COC)Cc1ccccc1 ZINC001167601322 1026967715 /nfs/dbraw/zinc/96/77/15/1026967715.db2.gz BDUYWKSCHIYVFO-HXUWFJFHSA-N 1 1 328.500 4.430 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185464846 1027227667 /nfs/dbraw/zinc/22/76/67/1027227667.db2.gz FQAVZBYRYIKNOQ-CVEARBPZSA-N 1 1 325.481 4.060 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185464846 1027227687 /nfs/dbraw/zinc/22/76/87/1027227687.db2.gz FQAVZBYRYIKNOQ-CVEARBPZSA-N 1 1 325.481 4.060 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441157609 1027312233 /nfs/dbraw/zinc/31/22/33/1027312233.db2.gz UQBJYXIJULZXES-QGZVFWFLSA-N 1 1 325.839 4.190 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441157609 1027312249 /nfs/dbraw/zinc/31/22/49/1027312249.db2.gz UQBJYXIJULZXES-QGZVFWFLSA-N 1 1 325.839 4.190 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000078338421 1027323561 /nfs/dbraw/zinc/32/35/61/1027323561.db2.gz YRWYFDYHFZEDDO-KBXCAEBGSA-N 1 1 329.444 4.254 20 30 EIEDMO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000428346978 1027333605 /nfs/dbraw/zinc/33/36/05/1027333605.db2.gz GZKAVTSSMMRSQL-OAHLLOKOSA-N 1 1 345.450 4.318 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529862 1027345964 /nfs/dbraw/zinc/34/59/64/1027345964.db2.gz UEPFLMAHNZVZMX-MRXNPFEDSA-N 1 1 349.478 4.142 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529862 1027345986 /nfs/dbraw/zinc/34/59/86/1027345986.db2.gz UEPFLMAHNZVZMX-MRXNPFEDSA-N 1 1 349.478 4.142 20 30 EIEDMO C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441259214 1027392151 /nfs/dbraw/zinc/39/21/51/1027392151.db2.gz UOPRGMIUUJAANH-HZPDHXFCSA-N 1 1 336.907 4.284 20 30 EIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001141895019 1027503912 /nfs/dbraw/zinc/50/39/12/1027503912.db2.gz YGFDGHQHBAOFLO-INIZCTEOSA-N 1 1 341.252 4.310 20 30 EIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001141895019 1027503929 /nfs/dbraw/zinc/50/39/29/1027503929.db2.gz YGFDGHQHBAOFLO-INIZCTEOSA-N 1 1 341.252 4.310 20 30 EIEDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000329149759 1027608945 /nfs/dbraw/zinc/60/89/45/1027608945.db2.gz QXHSCDOOVBIOTM-CABCVRRESA-N 1 1 346.471 4.192 20 30 EIEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1nc2ccccc2o1 ZINC000329143715 1027610276 /nfs/dbraw/zinc/61/02/76/1027610276.db2.gz VRWFRVUUHFNXQL-OWCLPIDISA-N 1 1 343.471 4.083 20 30 EIEDMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187005 1027633114 /nfs/dbraw/zinc/63/31/14/1027633114.db2.gz QTXCFXPWLOYAGG-AEFFLSMTSA-N 1 1 340.471 4.068 20 30 EIEDMO N#CC1(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CCCCC1 ZINC000329303115 1027715314 /nfs/dbraw/zinc/71/53/14/1027715314.db2.gz XCSGGIAUBPDLTR-LJQANCHMSA-N 1 1 337.467 4.321 20 30 EIEDMO C=CCCC1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000474901996 1027768722 /nfs/dbraw/zinc/76/87/22/1027768722.db2.gz WSSGRKZLPQPWKW-SFHVURJKSA-N 1 1 340.511 4.424 20 30 EIEDMO C#CCN([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995440 1027769515 /nfs/dbraw/zinc/76/95/15/1027769515.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 1 1 334.507 4.015 20 30 EIEDMO C[C@]1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCOC1 ZINC000329496089 1027817354 /nfs/dbraw/zinc/81/73/54/1027817354.db2.gz XFVCKRGOISRFTI-UZLBHIALSA-N 1 1 345.487 4.019 20 30 EIEDMO CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000328885203 1027826922 /nfs/dbraw/zinc/82/69/22/1027826922.db2.gz YYKMANYPTXNJNY-UHFFFAOYSA-N 1 1 329.469 4.129 20 30 EIEDMO O=C(Nc1ncn(C2CCCCC2)n1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329571572 1027858129 /nfs/dbraw/zinc/85/81/29/1027858129.db2.gz QSEDFLGECOXOJP-HNNXBMFYSA-N 1 1 345.491 4.026 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1OC ZINC000428368456 1027859792 /nfs/dbraw/zinc/85/97/92/1027859792.db2.gz DJIPJUHPOAXNTD-LJQANCHMSA-N 1 1 345.483 4.041 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000583042523 1027881855 /nfs/dbraw/zinc/88/18/55/1027881855.db2.gz YQGNDGNSVYMIQU-SFHVURJKSA-N 1 1 330.353 4.289 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000583042523 1027881864 /nfs/dbraw/zinc/88/18/64/1027881864.db2.gz YQGNDGNSVYMIQU-SFHVURJKSA-N 1 1 330.353 4.289 20 30 EIEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330954854 1027902229 /nfs/dbraw/zinc/90/22/29/1027902229.db2.gz MMALKLMLAXLMHU-LLVKDONJSA-N 1 1 344.286 4.145 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784024 1028056265 /nfs/dbraw/zinc/05/62/65/1028056265.db2.gz MNTYZUCZEJNYOX-KRWDZBQOSA-N 1 1 346.427 4.028 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154107870 1028097778 /nfs/dbraw/zinc/09/77/78/1028097778.db2.gz ILGJUXMJDTYRMG-JOCHJYFZSA-N 1 1 346.405 4.112 20 30 EIEDMO COc1ccc2nc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)sc2c1 ZINC000330296269 1028281628 /nfs/dbraw/zinc/28/16/28/1028281628.db2.gz KAWNYTXYHAKJFN-LBPRGKRZSA-N 1 1 333.457 4.157 20 30 EIEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1OCCCC#N ZINC000346331685 1028388587 /nfs/dbraw/zinc/38/85/87/1028388587.db2.gz MAMNTPIEGAEACU-QGZVFWFLSA-N 1 1 328.456 4.166 20 30 EIEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281287414 1028506975 /nfs/dbraw/zinc/50/69/75/1028506975.db2.gz IZZOLQWVWPUEDT-HXUWFJFHSA-N 1 1 326.484 4.184 20 30 EIEDMO N#Cc1ccc(-c2cnc(C[NH2+]C3(c4ccccc4)CCC3)o2)cc1 ZINC000158777722 1028618209 /nfs/dbraw/zinc/61/82/09/1028618209.db2.gz BEOSHZLLGOLSBP-UHFFFAOYSA-N 1 1 329.403 4.382 20 30 EIEDMO CCOc1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C(C)C)cc1 ZINC000508530925 1028642765 /nfs/dbraw/zinc/64/27/65/1028642765.db2.gz KCMTUWIKAZSCKH-UHFFFAOYSA-N 1 1 348.450 4.015 20 30 EIEDMO CCN(CCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)CC(F)(F)F ZINC000544403358 1028646814 /nfs/dbraw/zinc/64/68/14/1028646814.db2.gz MNGHJVMTTGPKHP-OAHLLOKOSA-N 1 1 341.421 4.215 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428321892 1028747845 /nfs/dbraw/zinc/74/78/45/1028747845.db2.gz RNIPOEFHQFNYSO-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)CCc1ccccc1 ZINC000444048375 1028758947 /nfs/dbraw/zinc/75/89/47/1028758947.db2.gz QEISWTHSQJGLPD-UHFFFAOYSA-N 1 1 340.442 4.193 20 30 EIEDMO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1 ZINC000444052935 1028764606 /nfs/dbraw/zinc/76/46/06/1028764606.db2.gz NFKPYBVBCWVQDC-UHFFFAOYSA-N 1 1 344.405 4.024 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000444078782 1028839844 /nfs/dbraw/zinc/83/98/44/1028839844.db2.gz PJCVCSNZPQFURT-FQEVSTJZSA-N 1 1 335.451 4.360 20 30 EIEDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346997763 1028843328 /nfs/dbraw/zinc/84/33/28/1028843328.db2.gz NXDGRXOUYFWSBD-QGZVFWFLSA-N 1 1 344.256 4.299 20 30 EIEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346997763 1028843333 /nfs/dbraw/zinc/84/33/33/1028843333.db2.gz NXDGRXOUYFWSBD-QGZVFWFLSA-N 1 1 344.256 4.299 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346997761 1028843885 /nfs/dbraw/zinc/84/38/85/1028843885.db2.gz NXDGRXOUYFWSBD-KRWDZBQOSA-N 1 1 344.256 4.299 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346997761 1028843879 /nfs/dbraw/zinc/84/38/79/1028843879.db2.gz NXDGRXOUYFWSBD-KRWDZBQOSA-N 1 1 344.256 4.299 20 30 EIEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000128506039 1028890212 /nfs/dbraw/zinc/89/02/12/1028890212.db2.gz YAHQRMMHQDLODG-QMMMGPOBSA-N 1 1 343.214 4.049 20 30 EIEDMO C=CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)s1 ZINC000281946605 1029001519 /nfs/dbraw/zinc/00/15/19/1029001519.db2.gz JGBOELXITXTECF-UHFFFAOYSA-N 1 1 338.904 4.490 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccccc1 ZINC000508554308 1029110299 /nfs/dbraw/zinc/11/02/99/1029110299.db2.gz SXOJBMKDLWQMTG-UHFFFAOYSA-N 1 1 333.435 4.274 20 30 EIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444317012 1029208318 /nfs/dbraw/zinc/20/83/18/1029208318.db2.gz NNHNRWKPWMCWGO-QGZVFWFLSA-N 1 1 328.456 4.215 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000340469076 1029224276 /nfs/dbraw/zinc/22/42/76/1029224276.db2.gz YTDXSSPJNRGLQX-GFCCVEGCSA-N 1 1 326.350 4.154 20 30 EIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000428447045 1029455680 /nfs/dbraw/zinc/45/56/80/1029455680.db2.gz LFSNABQRZBPGOQ-FXAWDEMLSA-N 1 1 342.389 4.189 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584024989 1029542506 /nfs/dbraw/zinc/54/25/06/1029542506.db2.gz ITRPBXJTBYBZGI-QUCCMNQESA-N 1 1 328.500 4.007 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000446764510 1029563321 /nfs/dbraw/zinc/56/33/21/1029563321.db2.gz IJQNSVYJANMOAU-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000446764510 1029563330 /nfs/dbraw/zinc/56/33/30/1029563330.db2.gz IJQNSVYJANMOAU-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO C[NH+](C)Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000446797498 1029575322 /nfs/dbraw/zinc/57/53/22/1029575322.db2.gz RCQFAAHTVYYMKD-OCCSQVGLSA-N 1 1 336.277 4.005 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000584061827 1029584171 /nfs/dbraw/zinc/58/41/71/1029584171.db2.gz WBRISKUAHNOUOM-CQSZACIVSA-N 1 1 344.871 4.498 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063951 1029622512 /nfs/dbraw/zinc/62/25/12/1029622512.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 1 1 325.500 4.054 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000121305663 1029757871 /nfs/dbraw/zinc/75/78/71/1029757871.db2.gz DUNXFAIRHPPLDY-KRWDZBQOSA-N 1 1 347.418 4.088 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC(F)(F)F)c1 ZINC000428345746 1029791111 /nfs/dbraw/zinc/79/11/11/1029791111.db2.gz GDARTSSBSYUOBL-LLVKDONJSA-N 1 1 338.304 4.447 20 30 EIEDMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441232209 1029931015 /nfs/dbraw/zinc/93/10/15/1029931015.db2.gz LJJVXWAHKHOBII-HNNXBMFYSA-N 1 1 332.407 4.110 20 30 EIEDMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441232209 1029931025 /nfs/dbraw/zinc/93/10/25/1029931025.db2.gz LJJVXWAHKHOBII-HNNXBMFYSA-N 1 1 332.407 4.110 20 30 EIEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000450755049 1029970393 /nfs/dbraw/zinc/97/03/93/1029970393.db2.gz DPWGVOOBDHCFCU-CQSZACIVSA-N 1 1 325.225 4.323 20 30 EIEDMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000447394880 1030062348 /nfs/dbraw/zinc/06/23/48/1030062348.db2.gz HHYGTGXCMZPDGF-HNNXBMFYSA-N 1 1 341.480 4.302 20 30 EIEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCc2ccccc21 ZINC000508601255 1030133451 /nfs/dbraw/zinc/13/34/51/1030133451.db2.gz USWWBQWVPWKWIQ-FQEVSTJZSA-N 1 1 330.435 4.105 20 30 EIEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc2ccccc2c1 ZINC000508613467 1030214427 /nfs/dbraw/zinc/21/44/27/1030214427.db2.gz FETFUBZDFBDHEZ-UHFFFAOYSA-N 1 1 340.430 4.381 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451119426 1030244509 /nfs/dbraw/zinc/24/45/09/1030244509.db2.gz GMMPLKKOBMDXCQ-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451119426 1030244536 /nfs/dbraw/zinc/24/45/36/1030244536.db2.gz GMMPLKKOBMDXCQ-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000526061825 1030254942 /nfs/dbraw/zinc/25/49/42/1030254942.db2.gz JSDQLRGCJAZBDL-ZDUSSCGKSA-N 1 1 345.240 4.491 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451418158 1030479707 /nfs/dbraw/zinc/47/97/07/1030479707.db2.gz MEORTLBNGUXZGY-ZRBLBEILSA-N 1 1 346.474 4.351 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553232 1030571054 /nfs/dbraw/zinc/57/10/54/1030571054.db2.gz XWMWFRWVZKVICZ-KRWDZBQOSA-N 1 1 329.444 4.494 20 30 EIEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000653563660 1030784634 /nfs/dbraw/zinc/78/46/34/1030784634.db2.gz XRDKIYFETAKHSO-GJZGRUSLSA-N 1 1 332.879 4.132 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000448523768 1030838166 /nfs/dbraw/zinc/83/81/66/1030838166.db2.gz ZVGRTEPPVXVNTF-FQEVSTJZSA-N 1 1 339.410 4.032 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000448523768 1030838171 /nfs/dbraw/zinc/83/81/71/1030838171.db2.gz ZVGRTEPPVXVNTF-FQEVSTJZSA-N 1 1 339.410 4.032 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000103138831 1030847354 /nfs/dbraw/zinc/84/73/54/1030847354.db2.gz JGKKGCNBOLFQRO-UHFFFAOYSA-N 1 1 335.382 4.218 20 30 EIEDMO C[NH+](C)C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810205 1030857040 /nfs/dbraw/zinc/85/70/40/1030857040.db2.gz OUTPRFYTMHDBSY-SFHVURJKSA-N 1 1 348.277 4.258 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531105611 1030878721 /nfs/dbraw/zinc/87/87/21/1030878721.db2.gz YIJHZSLFTKFYJD-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531105611 1030878724 /nfs/dbraw/zinc/87/87/24/1030878724.db2.gz YIJHZSLFTKFYJD-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882654 1030894779 /nfs/dbraw/zinc/89/47/79/1030894779.db2.gz QEZLMMIITMIOIF-MRXNPFEDSA-N 1 1 342.446 4.299 20 30 EIEDMO CCC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000532483589 1031217389 /nfs/dbraw/zinc/21/73/89/1031217389.db2.gz DLFDGNWMIDCGRC-UHFFFAOYSA-N 1 1 344.503 4.152 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364433962 1031300789 /nfs/dbraw/zinc/30/07/89/1031300789.db2.gz KHNCSAODLWJXTM-GFCCVEGCSA-N 1 1 338.411 4.067 20 30 EIEDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000532578957 1031311643 /nfs/dbraw/zinc/31/16/43/1031311643.db2.gz RDZDAHDTJBGLMM-SFHVURJKSA-N 1 1 337.423 4.016 20 30 EIEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000532578957 1031311662 /nfs/dbraw/zinc/31/16/62/1031311662.db2.gz RDZDAHDTJBGLMM-SFHVURJKSA-N 1 1 337.423 4.016 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000531616205 1031431593 /nfs/dbraw/zinc/43/15/93/1031431593.db2.gz GJGKKEGCHNGLFF-QGZVFWFLSA-N 1 1 347.886 4.135 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000531616205 1031431603 /nfs/dbraw/zinc/43/16/03/1031431603.db2.gz GJGKKEGCHNGLFF-QGZVFWFLSA-N 1 1 347.886 4.135 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000179887110 1031551810 /nfs/dbraw/zinc/55/18/10/1031551810.db2.gz AHUSPMDHSWDHKR-SFHVURJKSA-N 1 1 348.475 4.357 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(SC)c1 ZINC000065959853 1031621286 /nfs/dbraw/zinc/62/12/86/1031621286.db2.gz JMGHDDWYLZBDFA-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(SC)c1 ZINC000065959853 1031621289 /nfs/dbraw/zinc/62/12/89/1031621289.db2.gz JMGHDDWYLZBDFA-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO N#Cc1c(F)ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1Cl ZINC000365379041 1031652706 /nfs/dbraw/zinc/65/27/06/1031652706.db2.gz IWAJVSHUCGJCRP-MJGOQNOKSA-N 1 1 344.817 4.361 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OC3CCCC3)c2)CC1 ZINC000236691624 1031674009 /nfs/dbraw/zinc/67/40/09/1031674009.db2.gz IYCVYGVTUJPVRX-UHFFFAOYSA-N 1 1 328.500 4.138 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000532654500 1031679297 /nfs/dbraw/zinc/67/92/97/1031679297.db2.gz VARUVOZMZFTIBT-FQEVSTJZSA-N 1 1 348.446 4.098 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000531910991 1031807023 /nfs/dbraw/zinc/80/70/23/1031807023.db2.gz ZHDVWGQQQRFTRT-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000531910991 1031807028 /nfs/dbraw/zinc/80/70/28/1031807028.db2.gz ZHDVWGQQQRFTRT-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896694 /nfs/dbraw/zinc/89/66/94/1031896694.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 1 1 345.490 4.045 20 30 EIEDMO N#CCc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000449695872 1031932817 /nfs/dbraw/zinc/93/28/17/1031932817.db2.gz JFRZSROXOMEZSP-FRIKZZABSA-N 1 1 331.463 4.360 20 30 EIEDMO N#CCc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000449697234 1031935622 /nfs/dbraw/zinc/93/56/22/1031935622.db2.gz LDDUJAHJDMBALN-CEMLEFRQSA-N 1 1 331.463 4.075 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)c(Cl)c1 ZINC000449757846 1031989051 /nfs/dbraw/zinc/98/90/51/1031989051.db2.gz YQGZFASGTCTPCA-UHFFFAOYSA-N 1 1 338.835 4.061 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)c(Cl)c1 ZINC000449757846 1031989068 /nfs/dbraw/zinc/98/90/68/1031989068.db2.gz YQGZFASGTCTPCA-UHFFFAOYSA-N 1 1 338.835 4.061 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1csc2ccccc12 ZINC000052806003 1032006600 /nfs/dbraw/zinc/00/66/00/1032006600.db2.gz ZGHUFFIQVXGGIW-UHFFFAOYSA-N 1 1 349.459 4.234 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](OC)c1ccccc1 ZINC000512565875 1033385146 /nfs/dbraw/zinc/38/51/46/1033385146.db2.gz SZMRAHJKZJDOMC-HXUWFJFHSA-N 1 1 327.472 4.230 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614160244 1033538226 /nfs/dbraw/zinc/53/82/26/1033538226.db2.gz QRYKETQZMSWONH-UHFFFAOYSA-N 1 1 338.451 4.137 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000614168822 1033556327 /nfs/dbraw/zinc/55/63/27/1033556327.db2.gz WGQRZGBFDLBTCH-HXUWFJFHSA-N 1 1 326.484 4.411 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174147 1033568081 /nfs/dbraw/zinc/56/80/81/1033568081.db2.gz IPANCAOAUXIAPR-LVCYWYKZSA-N 1 1 339.527 4.325 20 30 EIEDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637604 1033580078 /nfs/dbraw/zinc/58/00/78/1033580078.db2.gz XPGSEKHBMPAQED-GJYPPUQNSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637604 1033580089 /nfs/dbraw/zinc/58/00/89/1033580089.db2.gz XPGSEKHBMPAQED-GJYPPUQNSA-N 1 1 337.442 4.011 20 30 EIEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177728 1033589048 /nfs/dbraw/zinc/58/90/48/1033589048.db2.gz WPRFWOVQDMJGRA-UHFFFAOYSA-N 1 1 327.497 4.397 20 30 EIEDMO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512649102 1033605712 /nfs/dbraw/zinc/60/57/12/1033605712.db2.gz QIGVTVQKBPKEHF-MRXNPFEDSA-N 1 1 337.442 4.144 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000614185758 1033643009 /nfs/dbraw/zinc/64/30/09/1033643009.db2.gz CDAHZMAXHPTHSU-JOCHJYFZSA-N 1 1 348.490 4.321 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000614185758 1033643018 /nfs/dbraw/zinc/64/30/18/1033643018.db2.gz CDAHZMAXHPTHSU-JOCHJYFZSA-N 1 1 348.490 4.321 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000433016282 1033659037 /nfs/dbraw/zinc/65/90/37/1033659037.db2.gz PCOVJFVSUZVAEE-GOSISDBHSA-N 1 1 345.349 4.398 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000433035428 1033689473 /nfs/dbraw/zinc/68/94/73/1033689473.db2.gz LZMRWFASHNURMA-QGZVFWFLSA-N 1 1 327.359 4.259 20 30 EIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247655 1033794375 /nfs/dbraw/zinc/79/43/75/1033794375.db2.gz FDOMYQLXFHOTMP-FOIQADDNSA-N 1 1 336.435 4.159 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000429851359 1033872875 /nfs/dbraw/zinc/87/28/75/1033872875.db2.gz QDCTUHSMZPPTIP-QGZVFWFLSA-N 1 1 328.500 4.137 20 30 EIEDMO N#Cc1cccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000512783491 1033932578 /nfs/dbraw/zinc/93/25/78/1033932578.db2.gz LZPVTYLOXKASEA-UHFFFAOYSA-N 1 1 343.833 4.427 20 30 EIEDMO C[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)CC(C)(C)C#N ZINC000433298445 1034204264 /nfs/dbraw/zinc/20/42/64/1034204264.db2.gz OUYWPHONWVMNMX-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)CC(C)(C)C#N ZINC000433298445 1034204274 /nfs/dbraw/zinc/20/42/74/1034204274.db2.gz OUYWPHONWVMNMX-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000614401997 1034546844 /nfs/dbraw/zinc/54/68/44/1034546844.db2.gz GSTYJMNMDMHIDX-STQMWFEESA-N 1 1 336.279 4.039 20 30 EIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(F)ccc1C#N ZINC000469114270 1035044349 /nfs/dbraw/zinc/04/43/49/1035044349.db2.gz YEYDIPWLANERSM-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(F)ccc1C#N ZINC000469114270 1035044365 /nfs/dbraw/zinc/04/43/65/1035044365.db2.gz YEYDIPWLANERSM-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000501376894 1035433406 /nfs/dbraw/zinc/43/34/06/1035433406.db2.gz ITPMBQRTGZCYIY-ZDUSSCGKSA-N 1 1 341.282 4.014 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000501376894 1035433408 /nfs/dbraw/zinc/43/34/08/1035433408.db2.gz ITPMBQRTGZCYIY-ZDUSSCGKSA-N 1 1 341.282 4.014 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000501419941 1035441668 /nfs/dbraw/zinc/44/16/68/1035441668.db2.gz HPLVFLVBZILVEN-INIZCTEOSA-N 1 1 340.467 4.016 20 30 EIEDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000595022506 1035509945 /nfs/dbraw/zinc/50/99/45/1035509945.db2.gz MEOONAQZRNQDQX-KSSFIOAISA-N 1 1 339.395 4.299 20 30 EIEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCCC1 ZINC000594995819 1035525180 /nfs/dbraw/zinc/52/51/80/1035525180.db2.gz SWIAQWVFPNBEAH-UHFFFAOYSA-N 1 1 335.451 4.224 20 30 EIEDMO Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490587453 1035536659 /nfs/dbraw/zinc/53/66/59/1035536659.db2.gz IKMUGZUJXSDCSS-UHFFFAOYSA-N 1 1 334.467 4.137 20 30 EIEDMO CCCn1cc[nH+]c1CCCN(C)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595456203 1035682713 /nfs/dbraw/zinc/68/27/13/1035682713.db2.gz WZFCWMAFDWINOI-KRWDZBQOSA-N 1 1 330.863 4.076 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000595520971 1035693267 /nfs/dbraw/zinc/69/32/67/1035693267.db2.gz UOAJGLVHPYGHLY-HXUWFJFHSA-N 1 1 330.435 4.204 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000595550705 1035701795 /nfs/dbraw/zinc/70/17/95/1035701795.db2.gz SFZQFGUKRKLNHL-GFCCVEGCSA-N 1 1 334.341 4.492 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000595550705 1035701817 /nfs/dbraw/zinc/70/18/17/1035701817.db2.gz SFZQFGUKRKLNHL-GFCCVEGCSA-N 1 1 334.341 4.492 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000595621619 1035738069 /nfs/dbraw/zinc/73/80/69/1035738069.db2.gz XBCVIZGQDHPJRD-CYBMUJFWSA-N 1 1 349.356 4.486 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000595621619 1035738084 /nfs/dbraw/zinc/73/80/84/1035738084.db2.gz XBCVIZGQDHPJRD-CYBMUJFWSA-N 1 1 349.356 4.486 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000595618271 1035739817 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CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000513729120 1035827477 /nfs/dbraw/zinc/82/74/77/1035827477.db2.gz NFIMPMSYVVNFRX-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000055055368 1035882846 /nfs/dbraw/zinc/88/28/46/1035882846.db2.gz KWFBPIDSQQHOPZ-UHFFFAOYSA-N 1 1 344.462 4.301 20 30 EIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000055055368 1035882848 /nfs/dbraw/zinc/88/28/48/1035882848.db2.gz KWFBPIDSQQHOPZ-UHFFFAOYSA-N 1 1 344.462 4.301 20 30 EIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000905775519 1035883402 /nfs/dbraw/zinc/88/34/02/1035883402.db2.gz BNLWDZDRZOVSMP-CQSZACIVSA-N 1 1 342.240 4.135 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000597010222 1036068492 /nfs/dbraw/zinc/06/84/92/1036068492.db2.gz MJOICXFKASUHAY-JOCHJYFZSA-N 1 1 346.474 4.114 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000597011070 1036068557 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CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000604512185 1037419840 /nfs/dbraw/zinc/41/98/40/1037419840.db2.gz ICIYOLXOYHAVEJ-MRXNPFEDSA-N 1 1 348.425 4.466 20 30 EIEDMO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1C#N ZINC000488218472 1037424334 /nfs/dbraw/zinc/42/43/34/1037424334.db2.gz LCWRIECDLOBXRB-UHFFFAOYSA-N 1 1 332.403 4.368 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1C#N ZINC000488218472 1037424372 /nfs/dbraw/zinc/42/43/72/1037424372.db2.gz LCWRIECDLOBXRB-UHFFFAOYSA-N 1 1 332.403 4.368 20 30 EIEDMO C=CCCC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000605150384 1037694009 /nfs/dbraw/zinc/69/40/09/1037694009.db2.gz QISLZXRJKKOHSZ-LJQANCHMSA-N 1 1 327.468 4.256 20 30 EIEDMO N#CC1(CCC[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CCOCC1 ZINC000592186709 1037745395 /nfs/dbraw/zinc/74/53/95/1037745395.db2.gz GUJRITHNTNQIGA-HXUWFJFHSA-N 1 1 336.479 4.480 20 30 EIEDMO CCCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCc2ncsc2C1 ZINC000592529738 1037824913 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EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1F ZINC000046526447 1038289155 /nfs/dbraw/zinc/28/91/55/1038289155.db2.gz KFJZVMRXBSYLLY-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1F ZINC000046526447 1038289172 /nfs/dbraw/zinc/28/91/72/1038289172.db2.gz KFJZVMRXBSYLLY-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CCC[N@H+](CC#Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490057368 1038323849 /nfs/dbraw/zinc/32/38/49/1038323849.db2.gz SRMHGDODFBHCPU-LJQANCHMSA-N 1 1 334.463 4.086 20 30 EIEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490057368 1038323866 /nfs/dbraw/zinc/32/38/66/1038323866.db2.gz SRMHGDODFBHCPU-LJQANCHMSA-N 1 1 334.463 4.086 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000490098018 1038334814 /nfs/dbraw/zinc/33/48/14/1038334814.db2.gz WSZUKUFSSWCGMK-SFHVURJKSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000490098018 1038334830 /nfs/dbraw/zinc/33/48/30/1038334830.db2.gz 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1038899199 /nfs/dbraw/zinc/89/91/99/1038899199.db2.gz SFDAMHNZGLXQRN-GOSISDBHSA-N 1 1 329.488 4.143 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000608977659 1038987076 /nfs/dbraw/zinc/98/70/76/1038987076.db2.gz XFFOZBDVOBWHAJ-IEBWSBKVSA-N 1 1 347.462 4.155 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(F)c1F ZINC000539329007 1038993105 /nfs/dbraw/zinc/99/31/05/1038993105.db2.gz XEFDTMHMHJISPW-SNVBAGLBSA-N 1 1 338.304 4.289 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361824 /nfs/dbraw/zinc/36/18/24/1039361824.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361842 /nfs/dbraw/zinc/36/18/42/1039361842.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361860 /nfs/dbraw/zinc/36/18/60/1039361860.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361872 /nfs/dbraw/zinc/36/18/72/1039361872.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 1 1 336.907 4.067 20 30 EIEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212205 1039375689 /nfs/dbraw/zinc/37/56/89/1039375689.db2.gz CUQHCNMIPYPKHP-KVLZDYKBSA-N 1 1 349.482 4.037 20 30 EIEDMO C=CC[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000513963045 1039426090 /nfs/dbraw/zinc/42/60/90/1039426090.db2.gz KCUPVKUEXNZUDR-MRXNPFEDSA-N 1 1 329.893 4.323 20 30 EIEDMO C=CCC1(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000478347556 1039685486 /nfs/dbraw/zinc/68/54/86/1039685486.db2.gz WSUFCRBSBCCTCW-QUCCMNQESA-N 1 1 340.511 4.150 20 30 EIEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000434630087 1039753918 /nfs/dbraw/zinc/75/39/18/1039753918.db2.gz JTKDDZAZEKUADV-MJGOQNOKSA-N 1 1 333.435 4.360 20 30 EIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868666 1039762532 /nfs/dbraw/zinc/76/25/32/1039762532.db2.gz XGYYJERXAJXSAV-MJGOQNOKSA-N 1 1 332.513 4.475 20 30 EIEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cn2cnc3ccccc32)no1 ZINC000900016041 1039862814 /nfs/dbraw/zinc/86/28/14/1039862814.db2.gz PFKULKZYMJGGNW-OAHLLOKOSA-N 1 1 341.459 4.218 20 30 EIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000478694079 1039864331 /nfs/dbraw/zinc/86/43/31/1039864331.db2.gz QCFASGUSQNOVGH-SFHVURJKSA-N 1 1 340.511 4.281 20 30 EIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000434849662 1039886684 /nfs/dbraw/zinc/88/66/84/1039886684.db2.gz GDNYHLBNZMMLJC-PZJWPPBQSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000434849662 1039886688 /nfs/dbraw/zinc/88/66/88/1039886688.db2.gz GDNYHLBNZMMLJC-PZJWPPBQSA-N 1 1 348.446 4.042 20 30 EIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000535077017 1039945080 /nfs/dbraw/zinc/94/50/80/1039945080.db2.gz CRKFHZUCSJPJIO-UHFFFAOYSA-N 1 1 329.425 4.447 20 30 EIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000535077017 1039945102 /nfs/dbraw/zinc/94/51/02/1039945102.db2.gz CRKFHZUCSJPJIO-UHFFFAOYSA-N 1 1 329.425 4.447 20 30 EIEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000435097489 1040064901 /nfs/dbraw/zinc/06/49/01/1040064901.db2.gz GYPQBHGABMXHHX-AZUAARDMSA-N 1 1 343.515 4.114 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553260245 1040078466 /nfs/dbraw/zinc/07/84/66/1040078466.db2.gz DRUDELLQMSAODA-INIZCTEOSA-N 1 1 335.451 4.185 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796420 1040237472 /nfs/dbraw/zinc/23/74/72/1040237472.db2.gz PZHCBWBIJOATFU-INIZCTEOSA-N 1 1 345.368 4.352 20 30 EIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000477136683 1040247524 /nfs/dbraw/zinc/24/75/24/1040247524.db2.gz LNTXRCPJCDSESO-QGZVFWFLSA-N 1 1 333.435 4.282 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000477153469 1040260264 /nfs/dbraw/zinc/26/02/64/1040260264.db2.gz RNQVKRVBQCNUDC-UHFFFAOYSA-N 1 1 349.478 4.059 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509921 1040315103 /nfs/dbraw/zinc/31/51/03/1040315103.db2.gz DLPDNACMGYNTSN-IFMALSPDSA-N 1 1 348.490 4.127 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364074 1040335598 /nfs/dbraw/zinc/33/55/98/1040335598.db2.gz DUDAXSUNJYEDRQ-OAHLLOKOSA-N 1 1 336.435 4.194 20 30 EIEDMO COc1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000442812741 1040340174 /nfs/dbraw/zinc/34/01/74/1040340174.db2.gz RCKFRVOBYSANNN-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000442812741 1040340189 /nfs/dbraw/zinc/34/01/89/1040340189.db2.gz RCKFRVOBYSANNN-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO CCOCc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366160 1040342055 /nfs/dbraw/zinc/34/20/55/1040342055.db2.gz OJOABHNMBAZFQW-MRXNPFEDSA-N 1 1 338.451 4.296 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639517 1040401654 /nfs/dbraw/zinc/40/16/54/1040401654.db2.gz GHUCYKKPRDIYNO-HNNXBMFYSA-N 1 1 336.907 4.430 20 30 EIEDMO CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000479563407 1040478028 /nfs/dbraw/zinc/47/80/28/1040478028.db2.gz BQIXCOKAJAAKKI-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO C=CCC[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000435750215 1040584823 /nfs/dbraw/zinc/58/48/23/1040584823.db2.gz BKNLZWKVIHYDAZ-GOSISDBHSA-N 1 1 325.456 4.220 20 30 EIEDMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609054 1040606723 /nfs/dbraw/zinc/60/67/23/1040606723.db2.gz BZIWNHQHEDFWML-GQIGUUNPSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609054 1040606732 /nfs/dbraw/zinc/60/67/32/1040606732.db2.gz BZIWNHQHEDFWML-GQIGUUNPSA-N 1 1 337.442 4.011 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000667029013 1040732373 /nfs/dbraw/zinc/73/23/73/1040732373.db2.gz NDPVMFVVEFAYAU-MRXNPFEDSA-N 1 1 329.488 4.047 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291736 1040807855 /nfs/dbraw/zinc/80/78/55/1040807855.db2.gz RMAYHVUVVPGXTJ-FZKQIMNGSA-N 1 1 347.384 4.499 20 30 EIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291740 1040808720 /nfs/dbraw/zinc/80/87/20/1040808720.db2.gz RMAYHVUVVPGXTJ-UGSOOPFHSA-N 1 1 347.384 4.499 20 30 EIEDMO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539821073 1040817762 /nfs/dbraw/zinc/81/77/62/1040817762.db2.gz XCIHCQQEEMOXKO-UHFFFAOYSA-N 1 1 331.419 4.097 20 30 EIEDMO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC000462791263 1040941112 /nfs/dbraw/zinc/94/11/12/1040941112.db2.gz RHFBDTNIRRUJSL-UHFFFAOYSA-N 1 1 336.435 4.146 20 30 EIEDMO CC[N@H+](Cc1ccc(F)cc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000505782178 1041016703 /nfs/dbraw/zinc/01/67/03/1041016703.db2.gz IEPMMDAYFWQRCP-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000505782178 1041016721 /nfs/dbraw/zinc/01/67/21/1041016721.db2.gz IEPMMDAYFWQRCP-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@H+](CCC1CCN(CC#Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000540049640 1041053725 /nfs/dbraw/zinc/05/37/25/1041053725.db2.gz NMTYMALRHMFZHA-UHFFFAOYSA-N 1 1 342.502 4.011 20 30 EIEDMO CC[N@@H+](CCC1CCN(CC#Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000540049640 1041053739 /nfs/dbraw/zinc/05/37/39/1041053739.db2.gz NMTYMALRHMFZHA-UHFFFAOYSA-N 1 1 342.502 4.011 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300387 1041068416 /nfs/dbraw/zinc/06/84/16/1041068416.db2.gz LZRSZJUMPFHNLU-MAUKXSAKSA-N 1 1 329.463 4.145 20 30 EIEDMO Fc1ccc2nc([C@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)oc2c1 ZINC000484093484 1041115451 /nfs/dbraw/zinc/11/54/51/1041115451.db2.gz NHIDBJYEJBSCDT-KRWDZBQOSA-N 1 1 334.394 4.198 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741926 1041127434 /nfs/dbraw/zinc/12/74/34/1041127434.db2.gz DMJCLKCTIFLPKF-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741926 1041127451 /nfs/dbraw/zinc/12/74/51/1041127451.db2.gz DMJCLKCTIFLPKF-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CCCC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000538219177 1041180052 /nfs/dbraw/zinc/18/00/52/1041180052.db2.gz CHBJDNVUYBEFJH-HXUWFJFHSA-N 1 1 344.499 4.371 20 30 EIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000463062607 1041295860 /nfs/dbraw/zinc/29/58/60/1041295860.db2.gz ATFJZCZEHPHVDQ-QGZVFWFLSA-N 1 1 339.870 4.170 20 30 EIEDMO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502521 1041381273 /nfs/dbraw/zinc/38/12/73/1041381273.db2.gz XSMYRLPFDQYTMW-KKSFZXQISA-N 1 1 337.442 4.185 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554745742 1041385819 /nfs/dbraw/zinc/38/58/19/1041385819.db2.gz LNZJSYUGTRYEQO-GASCZTMLSA-N 1 1 326.362 4.120 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508227 1041396295 /nfs/dbraw/zinc/39/62/95/1041396295.db2.gz CVLSVQFQGWJZGL-TWOQFEAHSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508227 1041396302 /nfs/dbraw/zinc/39/63/02/1041396302.db2.gz CVLSVQFQGWJZGL-TWOQFEAHSA-N 1 1 337.442 4.183 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000480742693 1041513279 /nfs/dbraw/zinc/51/32/79/1041513279.db2.gz RYLCCUCDOQTGSK-FQEVSTJZSA-N 1 1 340.854 4.084 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000480742693 1041513295 /nfs/dbraw/zinc/51/32/95/1041513295.db2.gz RYLCCUCDOQTGSK-FQEVSTJZSA-N 1 1 340.854 4.084 20 30 EIEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000904621833 1041544866 /nfs/dbraw/zinc/54/48/66/1041544866.db2.gz DCNAPRXXPZNJER-MRXNPFEDSA-N 1 1 341.459 4.287 20 30 EIEDMO Cc1ccccc1[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000540590301 1041547821 /nfs/dbraw/zinc/54/78/21/1041547821.db2.gz IITVSUBKHVWLJO-FQEVSTJZSA-N 1 1 344.418 4.158 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(C)(C)C#N ZINC000540665581 1041592691 /nfs/dbraw/zinc/59/26/91/1041592691.db2.gz RPTISIQZFVRWEY-UHFFFAOYSA-N 1 1 328.435 4.020 20 30 EIEDMO C[C@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000540708111 1041607745 /nfs/dbraw/zinc/60/77/45/1041607745.db2.gz SYENMJCCLNFJRQ-SJORKVTESA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000540708111 1041607757 /nfs/dbraw/zinc/60/77/57/1041607757.db2.gz SYENMJCCLNFJRQ-SJORKVTESA-N 1 1 339.458 4.259 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000541280675 1041872475 /nfs/dbraw/zinc/87/24/75/1041872475.db2.gz HRZNIFIAZPQRKR-QGZVFWFLSA-N 1 1 349.409 4.413 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1cccc(O)c1 ZINC000437885553 1041944132 /nfs/dbraw/zinc/94/41/32/1041944132.db2.gz AERQFFBUFOVPDY-ZDUSSCGKSA-N 1 1 346.377 4.448 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000517417271 1042010694 /nfs/dbraw/zinc/01/06/94/1042010694.db2.gz KDRZJSDTGCJEBX-CALCHBBNSA-N 1 1 345.487 4.026 20 30 EIEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464778956 1042160212 /nfs/dbraw/zinc/16/02/12/1042160212.db2.gz XDVUCTVMSQMKAI-GOSISDBHSA-N 1 1 338.476 4.051 20 30 EIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000383071740 1042215450 /nfs/dbraw/zinc/21/54/50/1042215450.db2.gz NWKBJPYMJGHSFG-QGZVFWFLSA-N 1 1 339.870 4.170 20 30 EIEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc2ccccc2c1 ZINC000517859144 1042228072 /nfs/dbraw/zinc/22/80/72/1042228072.db2.gz JLKQXBILPYHEJY-UHFFFAOYSA-N 1 1 349.478 4.004 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518000349 1042309636 /nfs/dbraw/zinc/30/96/36/1042309636.db2.gz MRJPIUFEJOCWHJ-AWEZNQCLSA-N 1 1 330.378 4.046 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518000349 1042309641 /nfs/dbraw/zinc/30/96/41/1042309641.db2.gz MRJPIUFEJOCWHJ-AWEZNQCLSA-N 1 1 330.378 4.046 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000303205174 1042360226 /nfs/dbraw/zinc/36/02/26/1042360226.db2.gz PKLRWLCKMHQNMU-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000303205174 1042360233 /nfs/dbraw/zinc/36/02/33/1042360233.db2.gz PKLRWLCKMHQNMU-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO CCN(Cc1ccc(CC#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000542282683 1042368947 /nfs/dbraw/zinc/36/89/47/1042368947.db2.gz ZJUSIFWSPXIVGX-CVDCTZTESA-N 1 1 347.506 4.410 20 30 EIEDMO CC[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000542282683 1042368951 /nfs/dbraw/zinc/36/89/51/1042368951.db2.gz ZJUSIFWSPXIVGX-CVDCTZTESA-N 1 1 347.506 4.410 20 30 EIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000542282683 1042368957 /nfs/dbraw/zinc/36/89/57/1042368957.db2.gz ZJUSIFWSPXIVGX-CVDCTZTESA-N 1 1 347.506 4.410 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OCc2cccnc2)cc1 ZINC000491422017 1042445063 /nfs/dbraw/zinc/44/50/63/1042445063.db2.gz GNOKHGUKHSFUHA-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934168 1042535371 /nfs/dbraw/zinc/53/53/71/1042535371.db2.gz METPKSQIOYERSU-KKSFZXQISA-N 1 1 337.442 4.185 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)n2c1 ZINC000518543693 1042564201 /nfs/dbraw/zinc/56/42/01/1042564201.db2.gz RMMBMEDXMYVSOF-ACDBMABISA-N 1 1 342.446 4.117 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000271991593 1042607066 /nfs/dbraw/zinc/60/70/66/1042607066.db2.gz GHVPCEZSLZNVKB-HXUWFJFHSA-N 1 1 344.418 4.158 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454537 1042636302 /nfs/dbraw/zinc/63/63/02/1042636302.db2.gz RXYZMNMPCIPLCW-HXUWFJFHSA-N 1 1 340.854 4.084 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1OC ZINC000506618773 1042698810 /nfs/dbraw/zinc/69/88/10/1042698810.db2.gz UXVUTZUSGTYMIN-UHFFFAOYSA-N 1 1 329.465 4.486 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000174814913 1042714553 /nfs/dbraw/zinc/71/45/53/1042714553.db2.gz NXQHPOPQZMCQSD-UHFFFAOYSA-N 1 1 333.907 4.178 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000492787995 1042750436 /nfs/dbraw/zinc/75/04/36/1042750436.db2.gz GUJNZPUIGMAQEJ-QGZVFWFLSA-N 1 1 341.252 4.138 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1cccc(C#N)c1 ZINC000614634082 1042964809 /nfs/dbraw/zinc/96/48/09/1042964809.db2.gz YRIORVABURIOCK-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399096 1043045448 /nfs/dbraw/zinc/04/54/48/1043045448.db2.gz QZBADZFDRQVDQD-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399096 1043045455 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COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000323087210 1043289239 /nfs/dbraw/zinc/28/92/39/1043289239.db2.gz IMLFKVYHSDWTDY-CQSZACIVSA-N 1 1 328.843 4.283 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+](CC2CC2)C2CCCCC2)nc1C1CC1 ZINC000727825510 1043316517 /nfs/dbraw/zinc/31/65/17/1043316517.db2.gz QNPVSAIRTOXSTG-UHFFFAOYSA-N 1 1 346.544 4.480 20 30 EIEDMO C=CC[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC1 ZINC000428069331 1043317614 /nfs/dbraw/zinc/31/76/14/1043317614.db2.gz GPDRTIZZEJYDHX-UHFFFAOYSA-N 1 1 335.373 4.101 20 30 EIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)o1 ZINC000059372661 1043356242 /nfs/dbraw/zinc/35/62/42/1043356242.db2.gz WNBGAGFPIWNKHP-FOIQADDNSA-N 1 1 336.435 4.318 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c1 ZINC000134311853 1043373815 /nfs/dbraw/zinc/37/38/15/1043373815.db2.gz HGHRRISILMUWJZ-MRXNPFEDSA-N 1 1 345.215 4.237 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000172075288 1043706910 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C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246302475 1044292545 /nfs/dbraw/zinc/29/25/45/1044292545.db2.gz FNUVRVKSAWHIGJ-AUUYWEPGSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246302475 1044292555 /nfs/dbraw/zinc/29/25/55/1044292555.db2.gz FNUVRVKSAWHIGJ-AUUYWEPGSA-N 1 1 326.827 4.346 20 30 EIEDMO C=CC[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000494821591 1044386063 /nfs/dbraw/zinc/38/60/63/1044386063.db2.gz LQGYKDRZNRFGKB-YHELAOLJSA-N 1 1 340.511 4.210 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000766192533 1044399971 /nfs/dbraw/zinc/39/99/71/1044399971.db2.gz TVXRIQLSMRTCBT-GJZGRUSLSA-N 1 1 327.399 4.258 20 30 EIEDMO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096765 1044473702 /nfs/dbraw/zinc/47/37/02/1044473702.db2.gz RGVXVHPGNXWPQN-RXULLKCLSA-N 1 1 345.446 4.024 20 30 EIEDMO C[C@@H]1CC(N=Nc2nncc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000734297363 1044526003 /nfs/dbraw/zinc/52/60/03/1044526003.db2.gz JZNATBTYSJQOSX-MRXNPFEDSA-N 1 1 345.450 4.082 20 30 EIEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287319 1044539163 /nfs/dbraw/zinc/53/91/63/1044539163.db2.gz XOEQIXXNWIRSOS-AWEZNQCLSA-N 1 1 344.503 4.008 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(C)c2)c1C ZINC000914693163 1044661517 /nfs/dbraw/zinc/66/15/17/1044661517.db2.gz NHJIEAWUCXUPNI-OAQYLSRUSA-N 1 1 338.499 4.344 20 30 EIEDMO CC(C)(C)Oc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000508910093 1044710431 /nfs/dbraw/zinc/71/04/31/1044710431.db2.gz BKCPGWWBYMPLLF-UHFFFAOYSA-N 1 1 335.451 4.295 20 30 EIEDMO CC(C)(C)Oc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000508910093 1044710443 /nfs/dbraw/zinc/71/04/43/1044710443.db2.gz BKCPGWWBYMPLLF-UHFFFAOYSA-N 1 1 335.451 4.295 20 30 EIEDMO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(Br)cc1C#N ZINC001141817015 1044806509 /nfs/dbraw/zinc/80/65/09/1044806509.db2.gz RTMPBQSHGOKYLX-VMPITWQZSA-N 1 1 341.252 4.466 20 30 EIEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(Br)cc1C#N ZINC001141817015 1044806510 /nfs/dbraw/zinc/80/65/10/1044806510.db2.gz RTMPBQSHGOKYLX-VMPITWQZSA-N 1 1 341.252 4.466 20 30 EIEDMO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000154900085 1044846890 /nfs/dbraw/zinc/84/68/90/1044846890.db2.gz AMPGUOAKBAWLNL-INIZCTEOSA-N 1 1 347.466 4.467 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)s1 ZINC000155116106 1044868171 /nfs/dbraw/zinc/86/81/71/1044868171.db2.gz GNPMCLWUWRMFTB-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)c1ccccc1 ZINC000673604968 1044871261 /nfs/dbraw/zinc/87/12/61/1044871261.db2.gz WGINPCRMLBBTIV-HXUWFJFHSA-N 1 1 332.451 4.373 20 30 EIEDMO N#Cc1cccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1F ZINC000429282580 1044889277 /nfs/dbraw/zinc/88/92/77/1044889277.db2.gz FPJFJTMSSIWTAO-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1cccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1F ZINC000429282580 1044889280 /nfs/dbraw/zinc/88/92/80/1044889280.db2.gz FPJFJTMSSIWTAO-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO Cc1ccc(C)c(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000429289299 1044898513 /nfs/dbraw/zinc/89/85/13/1044898513.db2.gz BYZWEKKDUQYAAO-UHFFFAOYSA-N 1 1 344.462 4.208 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000428972727 1044929801 /nfs/dbraw/zinc/92/98/01/1044929801.db2.gz BSZLFNQOQQMDFE-MSOLQXFVSA-N 1 1 348.780 4.110 20 30 EIEDMO N#CCC[N@@H+](CCCC(=O)c1ccc(Br)cc1)CC1CC1 ZINC000347735907 1044960130 /nfs/dbraw/zinc/96/01/30/1044960130.db2.gz JQHUQVHMYFKPKM-UHFFFAOYSA-N 1 1 349.272 4.038 20 30 EIEDMO N#CCC[N@H+](CCCC(=O)c1ccc(Br)cc1)CC1CC1 ZINC000347735907 1044960143 /nfs/dbraw/zinc/96/01/43/1044960143.db2.gz JQHUQVHMYFKPKM-UHFFFAOYSA-N 1 1 349.272 4.038 20 30 EIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000392078191 1045014615 /nfs/dbraw/zinc/01/46/15/1045014615.db2.gz ARLXMIAZPIFQPJ-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CC#CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544462002 1045144570 /nfs/dbraw/zinc/14/45/70/1045144570.db2.gz UWSKSZQHVKKENO-LLVKDONJSA-N 1 1 335.270 4.247 20 30 EIEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccc(Br)cc1 ZINC000466739402 1045160774 /nfs/dbraw/zinc/16/07/74/1045160774.db2.gz KYZAINBXCBLAEV-UHFFFAOYSA-N 1 1 341.318 4.306 20 30 EIEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739912397 1045174384 /nfs/dbraw/zinc/17/43/84/1045174384.db2.gz JSSXXIARYRYCPY-CTNGQTDRSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739912397 1045174387 /nfs/dbraw/zinc/17/43/87/1045174387.db2.gz JSSXXIARYRYCPY-CTNGQTDRSA-N 1 1 348.446 4.042 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1csc(Cl)c1Cl ZINC000762443295 1045237572 /nfs/dbraw/zinc/23/75/72/1045237572.db2.gz ZSBBSDITXYZBPX-UHFFFAOYSA-N 1 1 326.248 4.357 20 30 EIEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000741149489 1045278831 /nfs/dbraw/zinc/27/88/31/1045278831.db2.gz YZZBBRTWFDWLPR-OAQYLSRUSA-N 1 1 348.446 4.143 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000741149489 1045278837 /nfs/dbraw/zinc/27/88/37/1045278837.db2.gz YZZBBRTWFDWLPR-OAQYLSRUSA-N 1 1 348.446 4.143 20 30 EIEDMO COc1ccc(-c2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)on2)cc1 ZINC000611395935 1045301206 /nfs/dbraw/zinc/30/12/06/1045301206.db2.gz AQUXDAWKEGZSFH-UHFFFAOYSA-N 1 1 345.402 4.001 20 30 EIEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000495706092 1045305559 /nfs/dbraw/zinc/30/55/59/1045305559.db2.gz KROLSMFTHYZXCU-MRXNPFEDSA-N 1 1 337.508 4.086 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000533524649 1045539491 /nfs/dbraw/zinc/53/94/91/1045539491.db2.gz JVJNGWIDHJXBRJ-FQEVSTJZSA-N 1 1 330.435 4.172 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000533524649 1045539503 /nfs/dbraw/zinc/53/95/03/1045539503.db2.gz JVJNGWIDHJXBRJ-FQEVSTJZSA-N 1 1 330.435 4.172 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173771 1045738096 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ZINC000609280774 1047492859 /nfs/dbraw/zinc/49/28/59/1047492859.db2.gz OTHKGRUPXTVADQ-FQEVSTJZSA-N 1 1 336.435 4.173 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@@H](C)C#N ZINC000064248603 1047515426 /nfs/dbraw/zinc/51/54/26/1047515426.db2.gz MTSOPXZFFYLRBW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@@H](C)C#N ZINC000064248603 1047515429 /nfs/dbraw/zinc/51/54/29/1047515429.db2.gz MTSOPXZFFYLRBW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO C=C[C@H](CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000533914547 1047541512 /nfs/dbraw/zinc/54/15/12/1047541512.db2.gz XHPKLNVLOCSVKN-HSALFYBXSA-N 1 1 342.527 4.221 20 30 EIEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992616 1047566302 /nfs/dbraw/zinc/56/63/02/1047566302.db2.gz HYCPBFFAEVFKPQ-INIZCTEOSA-N 1 1 349.482 4.054 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001168285538 1047605896 /nfs/dbraw/zinc/60/58/96/1047605896.db2.gz UZQHWNYZFKQALX-NFBKMPQASA-N 1 1 348.490 4.327 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000130380544 1047703585 /nfs/dbraw/zinc/70/35/85/1047703585.db2.gz NSYFUMUGAGXHRZ-FQEVSTJZSA-N 1 1 334.398 4.146 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000130497632 1047716703 /nfs/dbraw/zinc/71/67/03/1047716703.db2.gz HIQGFZVCSQQWRR-OAQYLSRUSA-N 1 1 330.435 4.066 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000107898050 1047770286 /nfs/dbraw/zinc/77/02/86/1047770286.db2.gz VSWKFFAAECKUFT-UHFFFAOYSA-N 1 1 344.817 4.146 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000108355654 1047796741 /nfs/dbraw/zinc/79/67/41/1047796741.db2.gz HNEZDRROYZCHBK-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064276 1047917302 /nfs/dbraw/zinc/91/73/02/1047917302.db2.gz CNBBVWIWLZICNI-HRAATJIYSA-N 1 1 346.478 4.427 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136956598 1047982195 /nfs/dbraw/zinc/98/21/95/1047982195.db2.gz XTIRZKKLUKTKCQ-INIZCTEOSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136956598 1047982204 /nfs/dbraw/zinc/98/22/04/1047982204.db2.gz XTIRZKKLUKTKCQ-INIZCTEOSA-N 1 1 349.459 4.211 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000072691514 1048049770 /nfs/dbraw/zinc/04/97/70/1048049770.db2.gz PFNDYHFFIZRFKA-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000072691514 1048049794 /nfs/dbraw/zinc/04/97/94/1048049794.db2.gz PFNDYHFFIZRFKA-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO C#CC[N@H+](CCCCOc1c(OC)cccc1OC)C1CCCCC1 ZINC000808714017 1048062006 /nfs/dbraw/zinc/06/20/06/1048062006.db2.gz WILKALVSHKJAMG-UHFFFAOYSA-N 1 1 345.483 4.131 20 30 EIEDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731386 1048177609 /nfs/dbraw/zinc/17/76/09/1048177609.db2.gz VVNGALMADGUPTM-CQSZACIVSA-N 1 1 328.843 4.283 20 30 EIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731386 1048177619 /nfs/dbraw/zinc/17/76/19/1048177619.db2.gz VVNGALMADGUPTM-CQSZACIVSA-N 1 1 328.843 4.283 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815017070 1048296136 /nfs/dbraw/zinc/29/61/36/1048296136.db2.gz FHZYIJHSMGSWSE-LJQANCHMSA-N 1 1 334.419 4.250 20 30 EIEDMO COc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(F)c1F ZINC001143917206 1048299568 /nfs/dbraw/zinc/29/95/68/1048299568.db2.gz WYJLQIDEGCUWAM-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000844359035 1048304037 /nfs/dbraw/zinc/30/40/37/1048304037.db2.gz IMZGRENIRCEAPE-MRXNPFEDSA-N 1 1 326.465 4.202 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377912 1048313372 /nfs/dbraw/zinc/31/33/72/1048313372.db2.gz YJXYWYLTZOQNEF-LJQANCHMSA-N 1 1 334.891 4.343 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000919935368 1048316124 /nfs/dbraw/zinc/31/61/24/1048316124.db2.gz DUXWBJKLCAQGMW-HNNXBMFYSA-N 1 1 343.389 4.294 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000815126012 1048338003 /nfs/dbraw/zinc/33/80/03/1048338003.db2.gz FAGZRNUMDNGDOH-OAHLLOKOSA-N 1 1 330.815 4.016 20 30 EIEDMO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141154 1048342407 /nfs/dbraw/zinc/34/24/07/1048342407.db2.gz ZHNGJIZRQIZRED-OCYFJXFZSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141154 1048342423 /nfs/dbraw/zinc/34/24/23/1048342423.db2.gz ZHNGJIZRQIZRED-OCYFJXFZSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141154 1048342442 /nfs/dbraw/zinc/34/24/42/1048342442.db2.gz ZHNGJIZRQIZRED-OCYFJXFZSA-N 1 1 345.490 4.404 20 30 EIEDMO CCC[N@H+](CCN1CCCCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809788518 1048535083 /nfs/dbraw/zinc/53/50/83/1048535083.db2.gz SMOPYWVUSIJFGT-IBGZPJMESA-N 1 1 343.515 4.065 20 30 EIEDMO CCC[N@@H+](CCN1CCCCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809788518 1048535095 /nfs/dbraw/zinc/53/50/95/1048535095.db2.gz SMOPYWVUSIJFGT-IBGZPJMESA-N 1 1 343.515 4.065 20 30 EIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000772918946 1048618651 /nfs/dbraw/zinc/61/86/51/1048618651.db2.gz NMDVOFRWGPLJHZ-UHFFFAOYSA-N 1 1 348.425 4.098 20 30 EIEDMO [NH2+]=C(Nc1ccccc1OC(F)F)c1ccc2cc(O)ccc2c1 ZINC001171185158 1048672769 /nfs/dbraw/zinc/67/27/69/1048672769.db2.gz STAICQIVVCPDIJ-UHFFFAOYSA-N 1 1 328.318 4.184 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001171204195 1048772295 /nfs/dbraw/zinc/77/22/95/1048772295.db2.gz UJQBBVRXCJVVPZ-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccc(Br)cc2C1 ZINC001171204195 1048772312 /nfs/dbraw/zinc/77/23/12/1048772312.db2.gz UJQBBVRXCJVVPZ-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846009044 1048785243 /nfs/dbraw/zinc/78/52/43/1048785243.db2.gz ZXLIQMYHOHFBPP-GOSISDBHSA-N 1 1 348.368 4.051 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001171204464 1048785445 /nfs/dbraw/zinc/78/54/45/1048785445.db2.gz YERSISYPQTZGEK-AWEZNQCLSA-N 1 1 347.384 4.078 20 30 EIEDMO C[N@H+](Cc1ccc(C(C)(C)C)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007088 1048786479 /nfs/dbraw/zinc/78/64/79/1048786479.db2.gz MXMVPZLAUSHLLE-QGZVFWFLSA-N 1 1 328.481 4.083 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N\[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920945227 1048819395 /nfs/dbraw/zinc/81/93/95/1048819395.db2.gz SSRFWDOHUCAAOO-JVMBGAFUSA-N 1 1 330.431 4.239 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](CCc2ccccc2)CC(C)C)c1=S ZINC000921057491 1048844575 /nfs/dbraw/zinc/84/45/75/1048844575.db2.gz NLAJOCJVYLWPRW-UHFFFAOYSA-N 1 1 344.528 4.067 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](CCc2ccccc2)CC(C)C)c1=S ZINC000921057491 1048844577 /nfs/dbraw/zinc/84/45/77/1048844577.db2.gz NLAJOCJVYLWPRW-UHFFFAOYSA-N 1 1 344.528 4.067 20 30 EIEDMO COc1c(F)ccc(F)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001144755346 1048845080 /nfs/dbraw/zinc/84/50/80/1048845080.db2.gz YCRUEPJAPNQCHB-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171228727 1048867493 /nfs/dbraw/zinc/86/74/93/1048867493.db2.gz IJJAAWGGUJBYTI-ZWKOTPCHSA-N 1 1 344.462 4.409 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412013 1048963228 /nfs/dbraw/zinc/96/32/28/1048963228.db2.gz BDDVNEYUHYWQNY-HIFRSBDPSA-N 1 1 326.362 4.142 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000847023492 1048980651 /nfs/dbraw/zinc/98/06/51/1048980651.db2.gz NADNMLAAKXVRLE-QGZVFWFLSA-N 1 1 326.484 4.217 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000847023492 1048980667 /nfs/dbraw/zinc/98/06/67/1048980667.db2.gz NADNMLAAKXVRLE-QGZVFWFLSA-N 1 1 326.484 4.217 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432244 1049061765 /nfs/dbraw/zinc/06/17/65/1049061765.db2.gz WYKBVWPQVCPKTF-OAHLLOKOSA-N 1 1 326.415 4.159 20 30 EIEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811452648 1049069489 /nfs/dbraw/zinc/06/94/89/1049069489.db2.gz CLCSEAGQQUKPQX-UHFFFAOYSA-N 1 1 347.384 4.275 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986680 1049079236 /nfs/dbraw/zinc/07/92/36/1049079236.db2.gz STCUQCIUYVGIKB-WBVHZDCISA-N 1 1 334.891 4.143 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(Cl)cc1 ZINC000811517029 1049103531 /nfs/dbraw/zinc/10/35/31/1049103531.db2.gz FZRHKZMMYXRJLT-QGZVFWFLSA-N 1 1 335.781 4.448 20 30 EIEDMO CCCCCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001148483485 1049321680 /nfs/dbraw/zinc/32/16/80/1049321680.db2.gz IRDUWRKAXUPIPE-GOSISDBHSA-N 1 1 336.907 4.391 20 30 EIEDMO CCCCCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001148483485 1049321685 /nfs/dbraw/zinc/32/16/85/1049321685.db2.gz IRDUWRKAXUPIPE-GOSISDBHSA-N 1 1 336.907 4.391 20 30 EIEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCc1cccc(Br)c1 ZINC001170662004 1049366244 /nfs/dbraw/zinc/36/62/44/1049366244.db2.gz RRHYTMKFOPFQNX-UHFFFAOYSA-N 1 1 346.243 4.114 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000079393328 1049395655 /nfs/dbraw/zinc/39/56/55/1049395655.db2.gz DBMNLLPPOLMJPB-QGZVFWFLSA-N 1 1 349.544 4.100 20 30 EIEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642921 1049403209 /nfs/dbraw/zinc/40/32/09/1049403209.db2.gz OYHMFPSFKFQVQO-UHFFFAOYSA-N 1 1 348.425 4.296 20 30 EIEDMO CC(=NNc1ccccc1F)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000812459611 1049481635 /nfs/dbraw/zinc/48/16/35/1049481635.db2.gz CRPOPRHNNMWVDS-UHFFFAOYSA-N 1 1 341.430 4.353 20 30 EIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cnc2c1ccn2CC=C ZINC001171368085 1049517618 /nfs/dbraw/zinc/51/76/18/1049517618.db2.gz APBKCJWKNUPQOH-HNNXBMFYSA-N 1 1 334.423 4.355 20 30 EIEDMO COc1cc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)ccc1C ZINC000773140021 1049604915 /nfs/dbraw/zinc/60/49/15/1049604915.db2.gz NNZLGUSVWGGNBH-WDZFZDKYSA-N 1 1 332.403 4.394 20 30 EIEDMO COc1cc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)ccc1C ZINC000773140018 1049606022 /nfs/dbraw/zinc/60/60/22/1049606022.db2.gz NNZLGUSVWGGNBH-IZZDOVSWSA-N 1 1 332.403 4.394 20 30 EIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881169 1049620454 /nfs/dbraw/zinc/62/04/54/1049620454.db2.gz MJCNVDWBQQYKRZ-SJORKVTESA-N 1 1 340.389 4.380 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465942 1049664239 /nfs/dbraw/zinc/66/42/39/1049664239.db2.gz ZEKFHFDODUHLHM-ICSRJNTNSA-N 1 1 328.500 4.117 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2c(C3CC3)nc3sccn23)C2CC2)cc1 ZINC000179678999 1049709632 /nfs/dbraw/zinc/70/96/32/1049709632.db2.gz QSWANPIAERZHHY-UHFFFAOYSA-N 1 1 348.475 4.309 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2c(C3CC3)nc3sccn23)C2CC2)cc1 ZINC000179678999 1049709646 /nfs/dbraw/zinc/70/96/46/1049709646.db2.gz QSWANPIAERZHHY-UHFFFAOYSA-N 1 1 348.475 4.309 20 30 EIEDMO CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171602888 1049765801 /nfs/dbraw/zinc/76/58/01/1049765801.db2.gz AFIGXWIRBHOSJA-HZPDHXFCSA-N 1 1 337.508 4.036 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179984841 1049814706 /nfs/dbraw/zinc/81/47/06/1049814706.db2.gz NCEJMGFPWATKDQ-UHFFFAOYSA-N 1 1 328.362 4.014 20 30 EIEDMO CC(C)C[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978880 1049839127 /nfs/dbraw/zinc/83/91/27/1049839127.db2.gz MNNCVAHNOBVRKJ-PZJWPPBQSA-N 1 1 327.516 4.348 20 30 EIEDMO CCCCN(CC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084100 1049847395 /nfs/dbraw/zinc/84/73/95/1049847395.db2.gz UNZCGQROKSZRPP-WKCHPHFGSA-N 1 1 325.500 4.198 20 30 EIEDMO CC(C)[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063584 1049850066 /nfs/dbraw/zinc/85/00/66/1049850066.db2.gz BYQNDZYEDWEUIZ-WOZUAGRISA-N 1 1 325.500 4.100 20 30 EIEDMO C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCCCC1 ZINC001172068228 1049851013 /nfs/dbraw/zinc/85/10/13/1049851013.db2.gz JAWSSJTZQXILLN-DKUWSORSSA-N 1 1 336.523 4.498 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CCC(C)(C#N)CC3)cc2)C1 ZINC000823529591 1049854967 /nfs/dbraw/zinc/85/49/67/1049854967.db2.gz VTDVSQLCLQXUSS-FQVISZRSSA-N 1 1 341.499 4.292 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000823616822 1049863267 /nfs/dbraw/zinc/86/32/67/1049863267.db2.gz CCJBUJOEXBWJLM-KPZWWZAWSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172309400 1049874640 /nfs/dbraw/zinc/87/46/40/1049874640.db2.gz TYJMGMNEMZIWGQ-CQSZACIVSA-N 1 1 347.384 4.078 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313498 1049875455 /nfs/dbraw/zinc/87/54/55/1049875455.db2.gz XZWVFNJMGWBPFQ-IIBYNOLFSA-N 1 1 348.446 4.113 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311701 1049875504 /nfs/dbraw/zinc/87/55/04/1049875504.db2.gz WELULNZQBWBFLK-GOSISDBHSA-N 1 1 345.446 4.488 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172313100 1049875534 /nfs/dbraw/zinc/87/55/34/1049875534.db2.gz PAIDQCRGGZZOSQ-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311918 1049875810 /nfs/dbraw/zinc/87/58/10/1049875810.db2.gz CJNPGTSZKZODCI-KKSFZXQISA-N 1 1 348.446 4.113 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)[C@H]2CC ZINC001172373468 1049883499 /nfs/dbraw/zinc/88/34/99/1049883499.db2.gz MPHWIZYYOOLQOZ-TYZHSBRISA-N 1 1 332.532 4.233 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@H]2CC ZINC001172373458 1049884145 /nfs/dbraw/zinc/88/41/45/1049884145.db2.gz MPHWIZYYOOLQOZ-IYWGDAJJSA-N 1 1 332.532 4.233 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001172356859 1049894631 /nfs/dbraw/zinc/89/46/31/1049894631.db2.gz YVGUEECZSWUJOV-MRXNPFEDSA-N 1 1 349.519 4.310 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001172355101 1049894682 /nfs/dbraw/zinc/89/46/82/1049894682.db2.gz NEEGEPUMAUXWIP-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO CC(C)N1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000180463528 1049903210 /nfs/dbraw/zinc/90/32/10/1049903210.db2.gz OYKOSKJWALTSIF-UHFFFAOYSA-N 1 1 333.479 4.188 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000616773395 1049917536 /nfs/dbraw/zinc/91/75/36/1049917536.db2.gz NYQMNJJRBGZXHX-NRFANRHFSA-N 1 1 337.442 4.014 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001172498901 1049923247 /nfs/dbraw/zinc/92/32/47/1049923247.db2.gz SQEJRGLQOGDTJX-RXVVDRJESA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@@H](CCCC#N)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001172498901 1049923253 /nfs/dbraw/zinc/92/32/53/1049923253.db2.gz SQEJRGLQOGDTJX-RXVVDRJESA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@@H](CCCC#N)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001172498901 1049923260 /nfs/dbraw/zinc/92/32/60/1049923260.db2.gz SQEJRGLQOGDTJX-RXVVDRJESA-N 1 1 325.500 4.198 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172505244 1049924503 /nfs/dbraw/zinc/92/45/03/1049924503.db2.gz KWLUYUAFVIBWBG-OKYOBFRVSA-N 1 1 339.520 4.168 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509368 1049925911 /nfs/dbraw/zinc/92/59/11/1049925911.db2.gz KKUIIOGPTREFKT-SJORKVTESA-N 1 1 349.519 4.180 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1 ZINC001172651931 1049956361 /nfs/dbraw/zinc/95/63/61/1049956361.db2.gz UMAOLQGTNHLSAH-QYZOEREBSA-N 1 1 348.531 4.290 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(C#N)c1 ZINC000617217493 1049964009 /nfs/dbraw/zinc/96/40/09/1049964009.db2.gz WACHZWFNXSKDNP-LBPRGKRZSA-N 1 1 340.224 4.043 20 30 EIEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000617556611 1050050468 /nfs/dbraw/zinc/05/04/68/1050050468.db2.gz TUNCUNBXJSTJCB-UHFFFAOYSA-N 1 1 338.499 4.159 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(C(F)(F)F)c2)no1 ZINC001212325615 1050062927 /nfs/dbraw/zinc/06/29/27/1050062927.db2.gz XMEVSPYSIKDITE-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493923 1050115296 /nfs/dbraw/zinc/11/52/96/1050115296.db2.gz UNXSTSJRZQIRLY-VLIAUNLRSA-N 1 1 340.854 4.471 20 30 EIEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985308 1050254746 /nfs/dbraw/zinc/25/47/46/1050254746.db2.gz QJQWLBJMZRJXRY-SJORKVTESA-N 1 1 337.508 4.180 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000091723324 1050278703 /nfs/dbraw/zinc/27/87/03/1050278703.db2.gz QIQJMALVHFFKEQ-AWEZNQCLSA-N 1 1 328.481 4.438 20 30 EIEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173088235 1050280487 /nfs/dbraw/zinc/28/04/87/1050280487.db2.gz QHXGRABQYAMEAD-QCEMKRCNSA-N 1 1 338.373 4.283 20 30 EIEDMO CO[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000618305220 1050335622 /nfs/dbraw/zinc/33/56/22/1050335622.db2.gz IYZZJGGECDXOFB-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](CCCC)CC(C)C)CCC2 ZINC001173261572 1050386825 /nfs/dbraw/zinc/38/68/25/1050386825.db2.gz PCAGIHRQSLDDGH-SFHVURJKSA-N 1 1 333.520 4.396 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001173323374 1050415348 /nfs/dbraw/zinc/41/53/48/1050415348.db2.gz WMFZFXIYQOTVGP-LADRWXRNSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001173323374 1050415352 /nfs/dbraw/zinc/41/53/52/1050415352.db2.gz WMFZFXIYQOTVGP-LADRWXRNSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173323269 1050415805 /nfs/dbraw/zinc/41/58/05/1050415805.db2.gz BEODOMVOUUJCOD-ATKRNPRHSA-N 1 1 342.527 4.097 20 30 EIEDMO C=CCOC1CCC(n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)CC1 ZINC001173326389 1050417185 /nfs/dbraw/zinc/41/71/85/1050417185.db2.gz GIEMAOYWAZYMMM-QHGAOEGBSA-N 1 1 339.483 4.420 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001173325325 1050417266 /nfs/dbraw/zinc/41/72/66/1050417266.db2.gz JDFVSYXHCLVARJ-SOAGJPPSSA-N 1 1 343.467 4.124 20 30 EIEDMO N#CCC1CCC([N@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001173338471 1050427583 /nfs/dbraw/zinc/42/75/83/1050427583.db2.gz FQIQFSBXDIVSAV-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO COc1ccc([C@H]2CSCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339461 1050428085 /nfs/dbraw/zinc/42/80/85/1050428085.db2.gz PIVMIMUYABJJBO-GXOAENINSA-N 1 1 330.497 4.258 20 30 EIEDMO CC[N@H+](Cc1ccccc1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173340296 1050431121 /nfs/dbraw/zinc/43/11/21/1050431121.db2.gz ZPKNBLHWDOUZBZ-UHFFFAOYSA-N 1 1 339.527 4.445 20 30 EIEDMO CC[N@@H+](Cc1ccccc1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173340296 1050431125 /nfs/dbraw/zinc/43/11/25/1050431125.db2.gz ZPKNBLHWDOUZBZ-UHFFFAOYSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001173597339 1050498974 /nfs/dbraw/zinc/49/89/74/1050498974.db2.gz PLULAPTUUDWUNP-IGBVOLGGSA-N 1 1 325.500 4.054 20 30 EIEDMO CC(C)[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173597252 1050500565 /nfs/dbraw/zinc/50/05/65/1050500565.db2.gz NJFDCENMAFJXJJ-GNZRSQJKSA-N 1 1 349.519 4.179 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600610 1050503158 /nfs/dbraw/zinc/50/31/58/1050503158.db2.gz GNDQFIWEYRJRPW-YFPREOMMSA-N 1 1 346.515 4.434 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000618741960 1050503579 /nfs/dbraw/zinc/50/35/79/1050503579.db2.gz JDHIQUSZIYSGPG-GOSISDBHSA-N 1 1 331.444 4.459 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000618778733 1050516181 /nfs/dbraw/zinc/51/61/81/1050516181.db2.gz OECIFCBCQBFFKD-GOSISDBHSA-N 1 1 349.478 4.414 20 30 EIEDMO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646376 1050534016 /nfs/dbraw/zinc/53/40/16/1050534016.db2.gz YVKOUFBRBOBWOU-MJGOQNOKSA-N 1 1 334.504 4.437 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1OC ZINC000093453428 1050607024 /nfs/dbraw/zinc/60/70/24/1050607024.db2.gz APSCXRJNOVPKEF-LJQANCHMSA-N 1 1 338.451 4.301 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775150781 1050637372 /nfs/dbraw/zinc/63/73/72/1050637372.db2.gz AZPIJACZTRMLJN-UHFFFAOYSA-N 1 1 348.240 4.009 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc(OC)c1O ZINC001179432397 1050691422 /nfs/dbraw/zinc/69/14/22/1050691422.db2.gz AMVHYXDOJLLLFY-ICSRJNTNSA-N 1 1 341.426 4.245 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000446854928 1050753303 /nfs/dbraw/zinc/75/33/03/1050753303.db2.gz DOSWSVXAYJWWTG-MRXNPFEDSA-N 1 1 345.874 4.018 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC001180184375 1050897561 /nfs/dbraw/zinc/89/75/61/1050897561.db2.gz NXZRGSPNYMBZPK-UHFFFAOYSA-N 1 1 345.490 4.149 20 30 EIEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815702 1050918233 /nfs/dbraw/zinc/91/82/33/1050918233.db2.gz LPOPCVBHQMRWRN-CTXDPNEZSA-N 1 1 348.494 4.132 20 30 EIEDMO CCC[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C#N)cc1 ZINC001180224692 1050919139 /nfs/dbraw/zinc/91/91/39/1050919139.db2.gz HPCFUMWITMBYJU-UHFFFAOYSA-N 1 1 330.435 4.361 20 30 EIEDMO CCC[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C#N)cc1 ZINC001180224692 1050919147 /nfs/dbraw/zinc/91/91/47/1050919147.db2.gz HPCFUMWITMBYJU-UHFFFAOYSA-N 1 1 330.435 4.361 20 30 EIEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001180317477 1050950924 /nfs/dbraw/zinc/95/09/24/1050950924.db2.gz GNWGAHVFBDLCTH-HXUWFJFHSA-N 1 1 327.399 4.395 20 30 EIEDMO C=CC[N@H+](Cc1ncc(Br)cc1O)CC1CCCCC1 ZINC001180292217 1050959658 /nfs/dbraw/zinc/95/96/58/1050959658.db2.gz KHZNJCOMORXUIA-UHFFFAOYSA-N 1 1 339.277 4.118 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180393133 1050975684 /nfs/dbraw/zinc/97/56/84/1050975684.db2.gz KEZZGEKCZNSKCZ-UHFFFAOYSA-N 1 1 349.312 4.117 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180393133 1050975693 /nfs/dbraw/zinc/97/56/93/1050975693.db2.gz KEZZGEKCZNSKCZ-UHFFFAOYSA-N 1 1 349.312 4.117 20 30 EIEDMO CC(C)(C#N)c1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174446121 1050978591 /nfs/dbraw/zinc/97/85/91/1050978591.db2.gz YCWZHJAHPOYOKE-UHFFFAOYSA-N 1 1 335.451 4.064 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193527 1051057356 /nfs/dbraw/zinc/05/73/56/1051057356.db2.gz IXKXDGTWWIVYQY-UYAOXDASSA-N 1 1 340.511 4.007 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620195176 1051058274 /nfs/dbraw/zinc/05/82/74/1051058274.db2.gz AQLWKRSFMWSBEM-LJQANCHMSA-N 1 1 340.511 4.007 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153776 1051095116 /nfs/dbraw/zinc/09/51/16/1051095116.db2.gz VBRNIXVJRZXWTK-YADHBBJMSA-N 1 1 342.446 4.144 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC12CCOCC2 ZINC001190347897 1051160897 /nfs/dbraw/zinc/16/08/97/1051160897.db2.gz GDDZBPKQHUUXPK-FQEVSTJZSA-N 1 1 326.484 4.367 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001174780782 1051173070 /nfs/dbraw/zinc/17/30/70/1051173070.db2.gz QVBPFJZFEANUCC-IYBDPMFKSA-N 1 1 333.859 4.227 20 30 EIEDMO CC[C@@](C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000775386411 1051182795 /nfs/dbraw/zinc/18/27/95/1051182795.db2.gz DKTNVUVZKAWCJT-HXUWFJFHSA-N 1 1 332.407 4.023 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000775399237 1051223780 /nfs/dbraw/zinc/22/37/80/1051223780.db2.gz QMNWNGWWVZCIRN-FQEVSTJZSA-N 1 1 332.403 4.204 20 30 EIEDMO CCCC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC001190752509 1051272837 /nfs/dbraw/zinc/27/28/37/1051272837.db2.gz KWUOXKLLQHLEGH-UHFFFAOYSA-N 1 1 326.415 4.378 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001190845597 1051289738 /nfs/dbraw/zinc/28/97/38/1051289738.db2.gz GFKPRHKVGPSMKW-OAQYLSRUSA-N 1 1 334.463 4.282 20 30 EIEDMO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC001175036786 1051327061 /nfs/dbraw/zinc/32/70/61/1051327061.db2.gz YZFBXLDUSXUTDY-JOCHJYFZSA-N 1 1 334.463 4.343 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCCC[C@H]2CC(C)C)c1C#N ZINC001191113609 1051356178 /nfs/dbraw/zinc/35/61/78/1051356178.db2.gz ZJLPZSVBUXXEFZ-KRWDZBQOSA-N 1 1 328.456 4.136 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)c1C#N ZINC001191146712 1051362594 /nfs/dbraw/zinc/36/25/94/1051362594.db2.gz XPODVFFXYRVFCR-OAQYLSRUSA-N 1 1 348.446 4.299 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2C)c1C#N ZINC001191146703 1051362893 /nfs/dbraw/zinc/36/28/93/1051362893.db2.gz XPODVFFXYRVFCR-NRFANRHFSA-N 1 1 348.446 4.299 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001181970541 1051372158 /nfs/dbraw/zinc/37/21/58/1051372158.db2.gz DLTLCCKLTOWDSP-OAHLLOKOSA-N 1 1 343.829 4.481 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(Br)cc1 ZINC001182043390 1051379463 /nfs/dbraw/zinc/37/94/63/1051379463.db2.gz KGVRQKIROCTHTD-QGZVFWFLSA-N 1 1 339.236 4.395 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646764 1051508917 /nfs/dbraw/zinc/50/89/17/1051508917.db2.gz SVNRRMDEUNUMTM-QFIPXVFZSA-N 1 1 332.447 4.479 20 30 EIEDMO N#Cc1cnccc1C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001175437555 1051593201 /nfs/dbraw/zinc/59/32/01/1051593201.db2.gz ZJTICNDNCZWILO-UHFFFAOYSA-N 1 1 325.843 4.061 20 30 EIEDMO Cc1ccccc1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000542631233 1051593905 /nfs/dbraw/zinc/59/39/05/1051593905.db2.gz AIZFNQFAWHFPEI-QGZVFWFLSA-N 1 1 347.462 4.073 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001192060609 1051629067 /nfs/dbraw/zinc/62/90/67/1051629067.db2.gz FNRGTIWHCGRPAE-UHFFFAOYSA-N 1 1 348.837 4.377 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001192060609 1051629074 /nfs/dbraw/zinc/62/90/74/1051629074.db2.gz FNRGTIWHCGRPAE-UHFFFAOYSA-N 1 1 348.837 4.377 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001192244307 1051664173 /nfs/dbraw/zinc/66/41/73/1051664173.db2.gz YNAADPJSIJBFIJ-HXUWFJFHSA-N 1 1 339.483 4.322 20 30 EIEDMO CCC[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001192262021 1051676642 /nfs/dbraw/zinc/67/66/42/1051676642.db2.gz PCAZFTYZJZIRDK-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO CCC[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001192262021 1051676649 /nfs/dbraw/zinc/67/66/49/1051676649.db2.gz PCAZFTYZJZIRDK-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001192304061 1051696500 /nfs/dbraw/zinc/69/65/00/1051696500.db2.gz QREHUJZXNRNWSE-KRWDZBQOSA-N 1 1 348.446 4.151 20 30 EIEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001192304061 1051696508 /nfs/dbraw/zinc/69/65/08/1051696508.db2.gz QREHUJZXNRNWSE-KRWDZBQOSA-N 1 1 348.446 4.151 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CCF)C2)cc1OC ZINC001182891730 1051734666 /nfs/dbraw/zinc/73/46/66/1051734666.db2.gz OGIFPRCIKNCSOD-CQSZACIVSA-N 1 1 341.854 4.485 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001192654024 1051780237 /nfs/dbraw/zinc/78/02/37/1051780237.db2.gz SPYCESASOAAMQA-HNNXBMFYSA-N 1 1 346.858 4.299 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001192654024 1051780251 /nfs/dbraw/zinc/78/02/51/1051780251.db2.gz SPYCESASOAAMQA-HNNXBMFYSA-N 1 1 346.858 4.299 20 30 EIEDMO N#Cc1cccc([C@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC001192635862 1051785679 /nfs/dbraw/zinc/78/56/79/1051785679.db2.gz RSVKSXKPOGWIAE-MRXNPFEDSA-N 1 1 347.245 4.177 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001192954124 1051836953 /nfs/dbraw/zinc/83/69/53/1051836953.db2.gz ZTPCLEKZPYCRCQ-BZSNNMDCSA-N 1 1 325.541 4.153 20 30 EIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001193022877 1051855585 /nfs/dbraw/zinc/85/55/85/1051855585.db2.gz WYJPSWYEDZDYJM-CYBMUJFWSA-N 1 1 345.874 4.217 20 30 EIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001193022877 1051855588 /nfs/dbraw/zinc/85/55/88/1051855588.db2.gz WYJPSWYEDZDYJM-CYBMUJFWSA-N 1 1 345.874 4.217 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1F ZINC000774660269 1051879692 /nfs/dbraw/zinc/87/96/92/1051879692.db2.gz RBKASYCLYHISDJ-MSOLQXFVSA-N 1 1 342.414 4.159 20 30 EIEDMO Cc1ccc(C[N@@H+](CCCC(C)C)C[C@@H](O)CC2(C#N)CCC2)o1 ZINC001176135716 1051906712 /nfs/dbraw/zinc/90/67/12/1051906712.db2.gz CIUCDNFGERDCQT-SFHVURJKSA-N 1 1 332.488 4.271 20 30 EIEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001183895364 1051916254 /nfs/dbraw/zinc/91/62/54/1051916254.db2.gz AUDLYYGMNSQBRW-UHFFFAOYSA-N 1 1 333.781 4.262 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001193636610 1051960868 /nfs/dbraw/zinc/96/08/68/1051960868.db2.gz KBQJFOVYTHMIOV-CQSZACIVSA-N 1 1 345.899 4.152 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC001193703277 1051980832 /nfs/dbraw/zinc/98/08/32/1051980832.db2.gz DQPAHGVCBILTFB-HXUWFJFHSA-N 1 1 332.403 4.032 20 30 EIEDMO CCCCCCCOC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001194009186 1052048473 /nfs/dbraw/zinc/04/84/73/1052048473.db2.gz QRVUADKLHDNLBG-UHFFFAOYSA-N 1 1 348.487 4.080 20 30 EIEDMO CCCCCCCOC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001194012144 1052048948 /nfs/dbraw/zinc/04/89/48/1052048948.db2.gz BXZPKFXAHFLLGF-IBGZPJMESA-N 1 1 332.488 4.205 20 30 EIEDMO C=CCCC[N@H+](CC)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001176797557 1052190582 /nfs/dbraw/zinc/19/05/82/1052190582.db2.gz AENLVVNNYIZHQY-DOTOQJQBSA-N 1 1 327.390 4.457 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001176767310 1052193071 /nfs/dbraw/zinc/19/30/71/1052193071.db2.gz FIOYKQQOLQFOFR-QZTJIDSGSA-N 1 1 334.891 4.338 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CCCC4)C3)o2)c1 ZINC001176939502 1052206820 /nfs/dbraw/zinc/20/68/20/1052206820.db2.gz KCGKRHNAOBDSLX-GOSISDBHSA-N 1 1 336.439 4.010 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774914771 1052284863 /nfs/dbraw/zinc/28/48/63/1052284863.db2.gz RHVSBPFBHRZENJ-ZWKOTPCHSA-N 1 1 326.465 4.016 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000671243576 1052527820 /nfs/dbraw/zinc/52/78/20/1052527820.db2.gz UWNMHNXPXMTONZ-JOCHJYFZSA-N 1 1 332.447 4.337 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000671243576 1052527830 /nfs/dbraw/zinc/52/78/30/1052527830.db2.gz UWNMHNXPXMTONZ-JOCHJYFZSA-N 1 1 332.447 4.337 20 30 EIEDMO N#CC(CC[N@@H+]1CCCC[C@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000176296712 1052615968 /nfs/dbraw/zinc/61/59/68/1052615968.db2.gz QNAMFODVSFLQIU-QFIPXVFZSA-N 1 1 348.490 4.123 20 30 EIEDMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183835250 1052985523 /nfs/dbraw/zinc/98/55/23/1052985523.db2.gz ZYPXSAPHXSMRRS-SFHVURJKSA-N 1 1 344.462 4.156 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc(Br)c1 ZINC000194273943 1053037530 /nfs/dbraw/zinc/03/75/30/1053037530.db2.gz FBVYGYJMXNUJMN-UHFFFAOYSA-N 1 1 347.256 4.041 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cncc(Br)c1 ZINC000194273943 1053037534 /nfs/dbraw/zinc/03/75/34/1053037534.db2.gz FBVYGYJMXNUJMN-UHFFFAOYSA-N 1 1 347.256 4.041 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683526 1053071122 /nfs/dbraw/zinc/07/11/22/1053071122.db2.gz ORUQLODIQNHJDQ-CLCXKQKWSA-N 1 1 335.407 4.233 20 30 EIEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000509510282 1053097695 /nfs/dbraw/zinc/09/76/95/1053097695.db2.gz SOLCPYOHNBXELJ-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000509510282 1053097712 /nfs/dbraw/zinc/09/77/12/1053097712.db2.gz SOLCPYOHNBXELJ-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCC1 ZINC001194983955 1053214260 /nfs/dbraw/zinc/21/42/60/1053214260.db2.gz NVIDRANNLREDNE-WOJBJXKFSA-N 1 1 338.495 4.439 20 30 EIEDMO CCC[N@@H+](C)[C@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679813 1053262117 /nfs/dbraw/zinc/26/21/17/1053262117.db2.gz JFFBEIOZFNOLFI-CTPANLQCSA-N 1 1 346.858 4.253 20 30 EIEDMO C#CC[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000764676240 1053265032 /nfs/dbraw/zinc/26/50/32/1053265032.db2.gz HJVCOKXLQMSDRD-UHFFFAOYSA-N 1 1 338.838 4.190 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC001195094587 1053272430 /nfs/dbraw/zinc/27/24/30/1053272430.db2.gz STIYKXWLHVOEHY-KRWDZBQOSA-N 1 1 339.426 4.276 20 30 EIEDMO C=CCCC[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001195111963 1053274117 /nfs/dbraw/zinc/27/41/17/1053274117.db2.gz GAKZFDUNDVZDQB-FUHWJXTLSA-N 1 1 348.462 4.084 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)ccc1Cl ZINC001195196824 1053322590 /nfs/dbraw/zinc/32/25/90/1053322590.db2.gz YFJACBGGECOSTJ-HNNXBMFYSA-N 1 1 347.890 4.016 20 30 EIEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC001195349815 1053381092 /nfs/dbraw/zinc/38/10/92/1053381092.db2.gz DPNRCIWNBHBBEL-IRXDYDNUSA-N 1 1 334.504 4.293 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)o1 ZINC001195730002 1053462436 /nfs/dbraw/zinc/46/24/36/1053462436.db2.gz VZZHCLGOFUEYLZ-INIZCTEOSA-N 1 1 330.815 4.323 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)o1 ZINC001195730002 1053462447 /nfs/dbraw/zinc/46/24/47/1053462447.db2.gz VZZHCLGOFUEYLZ-INIZCTEOSA-N 1 1 330.815 4.323 20 30 EIEDMO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCCC2)O1 ZINC001195796339 1053490933 /nfs/dbraw/zinc/49/09/33/1053490933.db2.gz DVDKVRDZKAZVPE-HNNXBMFYSA-N 1 1 337.385 4.090 20 30 EIEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCCC2)O1 ZINC001195796339 1053490935 /nfs/dbraw/zinc/49/09/35/1053490935.db2.gz DVDKVRDZKAZVPE-HNNXBMFYSA-N 1 1 337.385 4.090 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(OC(F)F)cc3F)CC2)c1 ZINC000865509366 1053531171 /nfs/dbraw/zinc/53/11/71/1053531171.db2.gz QELWAYSRYRLBRT-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000852101442 1053550002 /nfs/dbraw/zinc/55/00/02/1053550002.db2.gz FJRJADUAUFJNNB-QLJPJBMISA-N 1 1 338.238 4.496 20 30 EIEDMO C=CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@H](C)COC ZINC001196047816 1053571549 /nfs/dbraw/zinc/57/15/49/1053571549.db2.gz FLUCNTOUEMOIRO-ZQMJAJRESA-N 1 1 338.289 4.375 20 30 EIEDMO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001196132711 1053586635 /nfs/dbraw/zinc/58/66/35/1053586635.db2.gz LQSOKXRTDSQIHY-QFIPXVFZSA-N 1 1 326.528 4.413 20 30 EIEDMO C#CCCCCCCN1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001196132711 1053586654 /nfs/dbraw/zinc/58/66/54/1053586654.db2.gz LQSOKXRTDSQIHY-QFIPXVFZSA-N 1 1 326.528 4.413 20 30 EIEDMO C#CCCCCCCN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001196132711 1053586664 /nfs/dbraw/zinc/58/66/64/1053586664.db2.gz LQSOKXRTDSQIHY-QFIPXVFZSA-N 1 1 326.528 4.413 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC001196375238 1053650245 /nfs/dbraw/zinc/65/02/45/1053650245.db2.gz LKOGCLVCVGCTAA-OAQYLSRUSA-N 1 1 349.478 4.036 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866245038 1053662379 /nfs/dbraw/zinc/66/23/79/1053662379.db2.gz HIIVBBDYYQQFEH-MEDUHNTESA-N 1 1 328.412 4.291 20 30 EIEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853604277 1053688423 /nfs/dbraw/zinc/68/84/23/1053688423.db2.gz APCLPLOBQGDDPU-HXUWFJFHSA-N 1 1 349.482 4.127 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000765574140 1053723036 /nfs/dbraw/zinc/72/30/36/1053723036.db2.gz FKQVSARFLWKBEP-YLJYHZDGSA-N 1 1 341.451 4.356 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854064198 1053749182 /nfs/dbraw/zinc/74/91/82/1053749182.db2.gz ABPGZRLGKZPTHH-HNNXBMFYSA-N 1 1 340.446 4.088 20 30 EIEDMO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001196991436 1053818502 /nfs/dbraw/zinc/81/85/02/1053818502.db2.gz FOWBUXFFSCEWGM-SFHVURJKSA-N 1 1 345.368 4.483 20 30 EIEDMO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1Cc1ccncc1C#N ZINC001196991436 1053818504 /nfs/dbraw/zinc/81/85/04/1053818504.db2.gz FOWBUXFFSCEWGM-SFHVURJKSA-N 1 1 345.368 4.483 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001197040903 1053823811 /nfs/dbraw/zinc/82/38/11/1053823811.db2.gz AAQXUJGVMIIWEE-SFHVURJKSA-N 1 1 338.426 4.474 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC001197032000 1053828037 /nfs/dbraw/zinc/82/80/37/1053828037.db2.gz NQHBGLMMDQFUBM-HNNXBMFYSA-N 1 1 340.854 4.343 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121864032 1053853425 /nfs/dbraw/zinc/85/34/25/1053853425.db2.gz QVPDUFUYSXRWIX-IEBWSBKVSA-N 1 1 342.414 4.159 20 30 EIEDMO CC#CC[N@H+]1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587688 1053949057 /nfs/dbraw/zinc/94/90/57/1053949057.db2.gz DDQXAZYESCCPLU-HKUYNNGSSA-N 1 1 348.531 4.195 20 30 EIEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001197630836 1053968209 /nfs/dbraw/zinc/96/82/09/1053968209.db2.gz UBQMHYNWAQKNQS-INIZCTEOSA-N 1 1 336.863 4.022 20 30 EIEDMO C#CC[N@H+](C[C@@H](Cc1ccccc1)OC)[C@@H]1CCCc2ccccc21 ZINC001198104763 1054078908 /nfs/dbraw/zinc/07/89/08/1054078908.db2.gz RPVCRJTYGZYTEC-FYYLOGMGSA-N 1 1 333.475 4.257 20 30 EIEDMO CC1(C)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001198202827 1054095461 /nfs/dbraw/zinc/09/54/61/1054095461.db2.gz ROPZTJHMDLHNSS-LEWJYISDSA-N 1 1 334.463 4.107 20 30 EIEDMO CC(C)(C)[C@]1(C=NOC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211111 1054200345 /nfs/dbraw/zinc/20/03/45/1054200345.db2.gz ASWROQQOFOQVSZ-NRFANRHFSA-N 1 1 344.499 4.106 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033156 1054350157 /nfs/dbraw/zinc/35/01/57/1054350157.db2.gz FYPWZNHFVKBZLB-CQSZACIVSA-N 1 1 349.500 4.008 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000857761119 1054357938 /nfs/dbraw/zinc/35/79/38/1054357938.db2.gz XAYWNJNCXKSWBN-UHFFFAOYSA-N 1 1 341.842 4.218 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(O)c2F)c1 ZINC000872045620 1054358930 /nfs/dbraw/zinc/35/89/30/1054358930.db2.gz QAHNLASBFKMUMR-HIFRSBDPSA-N 1 1 328.387 4.063 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(O)ccc2F)c1 ZINC000872045051 1054359071 /nfs/dbraw/zinc/35/90/71/1054359071.db2.gz HWSGRTBNSSTYKZ-BBRMVZONSA-N 1 1 328.387 4.063 20 30 EIEDMO C=C(CC)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001137057055 1054387200 /nfs/dbraw/zinc/38/72/00/1054387200.db2.gz PBUXKDZPXDBHIK-UHFFFAOYSA-N 1 1 336.479 4.113 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279635 1054433746 /nfs/dbraw/zinc/43/37/46/1054433746.db2.gz GFWAGFVQWURUNS-LJQANCHMSA-N 1 1 326.484 4.411 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]Cc2cc(F)ccc2F)ccc1OC ZINC000105496184 1054529253 /nfs/dbraw/zinc/52/92/53/1054529253.db2.gz JKTWDINFQCRMPN-UHFFFAOYSA-N 1 1 333.378 4.218 20 30 EIEDMO CC1=C(Br)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000825752535 1054734898 /nfs/dbraw/zinc/73/48/98/1054734898.db2.gz CGARVRYVVGUYEA-UHFFFAOYSA-N 1 1 331.257 4.116 20 30 EIEDMO CC1=C(Br)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000825752535 1054734915 /nfs/dbraw/zinc/73/49/15/1054734915.db2.gz CGARVRYVVGUYEA-UHFFFAOYSA-N 1 1 331.257 4.116 20 30 EIEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000776153252 1054751921 /nfs/dbraw/zinc/75/19/21/1054751921.db2.gz AOYKRNJRINWSOQ-RXVVDRJESA-N 1 1 343.515 4.140 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCC1 ZINC000108359504 1054775117 /nfs/dbraw/zinc/77/51/17/1054775117.db2.gz BBSQXOWGERZCHV-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO COc1cccc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477340 1054828680 /nfs/dbraw/zinc/82/86/80/1054828680.db2.gz FLPZEOLYUGJUGM-UXHICEINSA-N 1 1 345.446 4.300 20 30 EIEDMO N#Cc1c(F)cccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474875 1054828966 /nfs/dbraw/zinc/82/89/66/1054828966.db2.gz NDFDMZGPNXCGTC-MSOLQXFVSA-N 1 1 333.410 4.430 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001201813948 1054910807 /nfs/dbraw/zinc/91/08/07/1054910807.db2.gz LMPZKGWHFAQICF-GOSISDBHSA-N 1 1 333.520 4.199 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001201776578 1054914576 /nfs/dbraw/zinc/91/45/76/1054914576.db2.gz FTUFAAKPWCLYPN-PWRODBHTSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001201777290 1054918950 /nfs/dbraw/zinc/91/89/50/1054918950.db2.gz VHACDQJKPIFFNQ-UYAOXDASSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCCC[N@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001201825949 1054925782 /nfs/dbraw/zinc/92/57/82/1054925782.db2.gz IWJAZYRYEPGKSZ-MSOLQXFVSA-N 1 1 332.488 4.177 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001201847279 1054933179 /nfs/dbraw/zinc/93/31/79/1054933179.db2.gz ULRNYIWXBCLSFC-UHFFFAOYSA-N 1 1 343.519 4.084 20 30 EIEDMO CC[N@H+](c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1)C(C)C ZINC000876820779 1054963390 /nfs/dbraw/zinc/96/33/90/1054963390.db2.gz UYLMDKIRAIHNEA-KRWDZBQOSA-N 1 1 329.488 4.432 20 30 EIEDMO CCCCOc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876939041 1054985960 /nfs/dbraw/zinc/98/59/60/1054985960.db2.gz DPPKEPPBEOEOKK-UHFFFAOYSA-N 1 1 329.831 4.075 20 30 EIEDMO N#CCOc1cccc(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877169180 1055031724 /nfs/dbraw/zinc/03/17/24/1055031724.db2.gz JALPTEHFFWMVIN-UGKGYDQZSA-N 1 1 347.462 4.369 20 30 EIEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1cccc(OCCCC#N)c1 ZINC000877769726 1055120481 /nfs/dbraw/zinc/12/04/81/1055120481.db2.gz MSBVWEGJBGHYQX-UHFFFAOYSA-N 1 1 333.435 4.482 20 30 EIEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877812387 1055125804 /nfs/dbraw/zinc/12/58/04/1055125804.db2.gz OMWMGIJPYLFDES-MRXNPFEDSA-N 1 1 326.362 4.143 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892786 1055145457 /nfs/dbraw/zinc/14/54/57/1055145457.db2.gz DUVQHMBRZRWGGZ-IIBYNOLFSA-N 1 1 338.426 4.259 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898968 1055148079 /nfs/dbraw/zinc/14/80/79/1055148079.db2.gz WYPLAMINJVFIPX-FCHUYYIVSA-N 1 1 332.447 4.264 20 30 EIEDMO C=CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877916364 1055153329 /nfs/dbraw/zinc/15/33/29/1055153329.db2.gz AVVDDLLKLDWLIG-JOCHJYFZSA-N 1 1 332.447 4.115 20 30 EIEDMO C=CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877916364 1055153335 /nfs/dbraw/zinc/15/33/35/1055153335.db2.gz AVVDDLLKLDWLIG-JOCHJYFZSA-N 1 1 332.447 4.115 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031158 1055178643 /nfs/dbraw/zinc/17/86/43/1055178643.db2.gz RIOFINUVPHUBST-REWPJTCUSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044465 1055178819 /nfs/dbraw/zinc/17/88/19/1055178819.db2.gz PFISORDNKOJTSL-AVRDEDQJSA-N 1 1 334.463 4.163 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878132360 1055191588 /nfs/dbraw/zinc/19/15/88/1055191588.db2.gz SODUMZNHWAJONE-XZOQPEGZSA-N 1 1 348.490 4.380 20 30 EIEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000903268579 1055569803 /nfs/dbraw/zinc/56/98/03/1055569803.db2.gz KZSIQGBZMXGEIK-ZDUSSCGKSA-N 1 1 336.258 4.018 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)Cc1ncc(C[NH+](C)C)s1 ZINC000347649156 1055779642 /nfs/dbraw/zinc/77/96/42/1055779642.db2.gz IAUMEFQPVBOAIA-UHFFFAOYSA-N 1 1 341.933 4.108 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000542703509 1055850413 /nfs/dbraw/zinc/85/04/13/1055850413.db2.gz UKNLORTWBONMDB-PMACEKPBSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000542703509 1055850417 /nfs/dbraw/zinc/85/04/17/1055850417.db2.gz UKNLORTWBONMDB-PMACEKPBSA-N 1 1 335.407 4.175 20 30 EIEDMO C[N@@H+](CCCNc1c(C#N)cnc2ccccc21)Cc1ccccc1 ZINC000301138752 1055900595 /nfs/dbraw/zinc/90/05/95/1055900595.db2.gz CPDRLZCYOYFCHB-UHFFFAOYSA-N 1 1 330.435 4.040 20 30 EIEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000301307790 1055919536 /nfs/dbraw/zinc/91/95/36/1055919536.db2.gz VZWYDCFUZXOWFB-UHFFFAOYSA-N 1 1 348.372 4.036 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301693878 1055969109 /nfs/dbraw/zinc/96/91/09/1055969109.db2.gz YXSYDYDDEXVEIV-HNNXBMFYSA-N 1 1 346.906 4.088 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1Br ZINC000554181036 1056039806 /nfs/dbraw/zinc/03/98/06/1056039806.db2.gz KSJFFTYYDFJBGV-UHFFFAOYSA-N 1 1 329.241 4.343 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1Br ZINC000554181036 1056039817 /nfs/dbraw/zinc/03/98/17/1056039817.db2.gz KSJFFTYYDFJBGV-UHFFFAOYSA-N 1 1 329.241 4.343 20 30 EIEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000554309236 1056055103 /nfs/dbraw/zinc/05/51/03/1056055103.db2.gz OINIJHVFCSMLOT-GOSISDBHSA-N 1 1 339.464 4.031 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CCCCC3)CC2)c(C#N)c1C ZINC000338726981 1056575109 /nfs/dbraw/zinc/57/51/09/1056575109.db2.gz QEPPHGSODLUUKX-OAHLLOKOSA-N 1 1 343.471 4.141 20 30 EIEDMO CCC1CCC([N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)CC1 ZINC000110982319 1056726128 /nfs/dbraw/zinc/72/61/28/1056726128.db2.gz AGVQVZUBHKIZSV-UHFFFAOYSA-N 1 1 339.483 4.320 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(F)(F)F ZINC000075596306 1056799494 /nfs/dbraw/zinc/79/94/94/1056799494.db2.gz GNVJHIDGPZYMCY-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743262266 1058906493 /nfs/dbraw/zinc/90/64/93/1058906493.db2.gz SNNBBRZMURKWIV-IBGZPJMESA-N 1 1 331.843 4.070 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000743842651 1059135421 /nfs/dbraw/zinc/13/54/21/1059135421.db2.gz JJEXYQIWYULEND-IFXJQAMLSA-N 1 1 328.843 4.328 20 30 EIEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860898 1059168101 /nfs/dbraw/zinc/16/81/01/1059168101.db2.gz YXIXEAHZAXAQRP-GHTZIAJQSA-N 1 1 341.499 4.142 20 30 EIEDMO Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2OCC#N)sc1C ZINC000744424866 1059486252 /nfs/dbraw/zinc/48/62/52/1059486252.db2.gz YSWPDDAOJDOTKA-UHFFFAOYSA-N 1 1 349.887 4.341 20 30 EIEDMO C#CC[N@@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)C1CCCCC1 ZINC000744739099 1059625028 /nfs/dbraw/zinc/62/50/28/1059625028.db2.gz GBXJTJXKIGNZDD-UHFFFAOYSA-N 1 1 343.496 4.437 20 30 EIEDMO C#CC[N@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)C1CCCCC1 ZINC000744739099 1059625036 /nfs/dbraw/zinc/62/50/36/1059625036.db2.gz GBXJTJXKIGNZDD-UHFFFAOYSA-N 1 1 343.496 4.437 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000746152153 1060045832 /nfs/dbraw/zinc/04/58/32/1060045832.db2.gz HVOSMEGLYXMCOE-HXUWFJFHSA-N 1 1 344.405 4.028 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2ccnc(OC)c2)cc1 ZINC001169224894 1060702286 /nfs/dbraw/zinc/70/22/86/1060702286.db2.gz KGZJAPICHVCHKT-FQEVSTJZSA-N 1 1 337.467 4.068 20 30 EIEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1c(C)cc(C#N)cc1C ZINC001169394957 1060805846 /nfs/dbraw/zinc/80/58/46/1060805846.db2.gz BCJJPIKCZTVJTL-JOCHJYFZSA-N 1 1 336.479 4.338 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169748389 1060926355 /nfs/dbraw/zinc/92/63/55/1060926355.db2.gz XFZXMJCWOAGITO-RPCJCACASA-N 1 1 338.499 4.484 20 30 EIEDMO C#CCCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000766914156 1061060274 /nfs/dbraw/zinc/06/02/74/1061060274.db2.gz AYPRPEICSRXPHN-INIZCTEOSA-N 1 1 339.266 4.200 20 30 EIEDMO C#CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000766914156 1061060285 /nfs/dbraw/zinc/06/02/85/1061060285.db2.gz AYPRPEICSRXPHN-INIZCTEOSA-N 1 1 339.266 4.200 20 30 EIEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000767067077 1061099046 /nfs/dbraw/zinc/09/90/46/1061099046.db2.gz IFGPDGZZCYJINO-UHFFFAOYSA-N 1 1 340.511 4.117 20 30 EIEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000532927942 1032393204 /nfs/dbraw/zinc/39/32/04/1032393204.db2.gz DRHUCKMMNLTASP-CYBMUJFWSA-N 1 1 347.528 4.194 20 30 EIEDMO CCOc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)cc1OC ZINC000529609863 1032476465 /nfs/dbraw/zinc/47/64/65/1032476465.db2.gz BCNGYXRUDQYXEZ-CQSZACIVSA-N 1 1 342.414 4.298 20 30 EIEDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)cc1OC ZINC000529609863 1032476477 /nfs/dbraw/zinc/47/64/77/1032476477.db2.gz BCNGYXRUDQYXEZ-CQSZACIVSA-N 1 1 342.414 4.298 20 30 EIEDMO Cc1cc(CNc2cccc(Cl)c2C#N)cc(N2CCCC2)[nH+]1 ZINC000450530578 1032548422 /nfs/dbraw/zinc/54/84/22/1032548422.db2.gz DJKHZGMEHCJXHZ-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000533287317 1032597955 /nfs/dbraw/zinc/59/79/55/1032597955.db2.gz XMEVWWBEXLZGEF-LLVKDONJSA-N 1 1 327.255 4.218 20 30 EIEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000533299993 1032629921 /nfs/dbraw/zinc/62/99/21/1032629921.db2.gz VQDWLDANIVLESS-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533355255 1032689961 /nfs/dbraw/zinc/68/99/61/1032689961.db2.gz OFJWNSCINNRJNK-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533355255 1032689970 /nfs/dbraw/zinc/68/99/70/1032689970.db2.gz OFJWNSCINNRJNK-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO CCn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000533440536 1032772514 /nfs/dbraw/zinc/77/25/14/1032772514.db2.gz BPVMQTDKYOXSOT-UHFFFAOYSA-N 1 1 330.435 4.074 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OCC)c1 ZINC000535789992 1018810718 /nfs/dbraw/zinc/81/07/18/1018810718.db2.gz LQVRRCPQSGIOGV-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000533490563 1032799083 /nfs/dbraw/zinc/79/90/83/1032799083.db2.gz LCOQZUAEIJXYJR-UHFFFAOYSA-N 1 1 331.394 4.468 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001167064703 1019220121 /nfs/dbraw/zinc/22/01/21/1019220121.db2.gz XSHWWRGJUAXPFN-RBUKOAKNSA-N 1 1 326.827 4.082 20 30 EIEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000512457075 1032820020 /nfs/dbraw/zinc/82/00/20/1032820020.db2.gz QHTHIFYQJPYBEL-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)CCC[C@H]2C)c1C ZINC000610216556 1019414090 /nfs/dbraw/zinc/41/40/90/1019414090.db2.gz PYPCIHGSYFYJLR-SJLPKXTDSA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC001167084033 1019744009 /nfs/dbraw/zinc/74/40/09/1019744009.db2.gz JXHPHIPCSNNBHY-IBGZPJMESA-N 1 1 326.827 4.428 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274816890 1019757295 /nfs/dbraw/zinc/75/72/95/1019757295.db2.gz ZJHHKFHHHPXGQA-WSTZPKSXSA-N 1 1 349.478 4.300 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nccc(C)n2)C(C)(C)C)cc1 ZINC000339662036 1019783573 /nfs/dbraw/zinc/78/35/73/1019783573.db2.gz FEFTYTRTMQCYGI-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nccc(C)n2)C(C)(C)C)cc1 ZINC000339662036 1019783592 /nfs/dbraw/zinc/78/35/92/1019783592.db2.gz FEFTYTRTMQCYGI-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179620765 1019787888 /nfs/dbraw/zinc/78/78/88/1019787888.db2.gz TUTXYBNCNJVRQZ-OAHLLOKOSA-N 1 1 326.362 4.143 20 30 EIEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CC(C)(C)CCC#N)CC2 ZINC000179751048 1019832944 /nfs/dbraw/zinc/83/29/44/1019832944.db2.gz QKGQVBIESSORCZ-UHFFFAOYSA-N 1 1 330.472 4.172 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC12CCOCC2 ZINC001167115531 1020214307 /nfs/dbraw/zinc/21/43/07/1020214307.db2.gz FMQVGJZYAWACKA-LJQANCHMSA-N 1 1 329.484 4.280 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584024987 1020259828 /nfs/dbraw/zinc/25/98/28/1020259828.db2.gz ITRPBXJTBYBZGI-AZUAARDMSA-N 1 1 328.500 4.007 20 30 EIEDMO CC[N@@H+](CCN1CCCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC001167129673 1020303316 /nfs/dbraw/zinc/30/33/16/1020303316.db2.gz AUTHFQFHHBRPTF-SFHVURJKSA-N 1 1 333.479 4.394 20 30 EIEDMO C=CCCCCCCCC[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001209442380 1020350130 /nfs/dbraw/zinc/35/01/30/1020350130.db2.gz HEVOIVLSNNTCLF-UHFFFAOYSA-N 1 1 347.503 4.182 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001209442380 1020350141 /nfs/dbraw/zinc/35/01/41/1020350141.db2.gz HEVOIVLSNNTCLF-UHFFFAOYSA-N 1 1 347.503 4.182 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001209442611 1020351607 /nfs/dbraw/zinc/35/16/07/1020351607.db2.gz ZGFBCTICUMJTJW-OAQYLSRUSA-N 1 1 341.499 4.037 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209444290 1020354030 /nfs/dbraw/zinc/35/40/30/1020354030.db2.gz OWIPWSKANGMFCV-UXHICEINSA-N 1 1 334.548 4.482 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001167252115 1020678940 /nfs/dbraw/zinc/67/89/40/1020678940.db2.gz UAVFZMWJWXAERU-QGZVFWFLSA-N 1 1 327.428 4.401 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609594 1020705248 /nfs/dbraw/zinc/70/52/48/1020705248.db2.gz BCANKNIHVFTOEY-RBUKOAKNSA-N 1 1 348.531 4.147 20 30 EIEDMO C#CC[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001167273390 1020750755 /nfs/dbraw/zinc/75/07/55/1020750755.db2.gz FCYNNUDEYGUHTJ-GOSISDBHSA-N 1 1 348.531 4.292 20 30 EIEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC001167291477 1020886109 /nfs/dbraw/zinc/88/61/09/1020886109.db2.gz NYFXAJTYRBALFP-AWEZNQCLSA-N 1 1 328.843 4.283 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000261475197 1021034318 /nfs/dbraw/zinc/03/43/18/1021034318.db2.gz KOAFQMXMHRVBNP-KRWDZBQOSA-N 1 1 339.464 4.094 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000547975776 1021044528 /nfs/dbraw/zinc/04/45/28/1021044528.db2.gz NSPLJQBSKSGFNN-LJQANCHMSA-N 1 1 328.500 4.069 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071445 1021468165 /nfs/dbraw/zinc/46/81/65/1021468165.db2.gz AKFYQXHXRCXDKQ-OAHLLOKOSA-N 1 1 331.847 4.008 20 30 EIEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000471526028 1021536917 /nfs/dbraw/zinc/53/69/17/1021536917.db2.gz BWGATZQTRKSLEU-INIZCTEOSA-N 1 1 333.501 4.239 20 30 EIEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610369583 1021549096 /nfs/dbraw/zinc/54/90/96/1021549096.db2.gz IEPCTWJKELTJIZ-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610369583 1021549110 /nfs/dbraw/zinc/54/91/10/1021549110.db2.gz IEPCTWJKELTJIZ-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c(F)c1 ZINC000610370721 1021550607 /nfs/dbraw/zinc/55/06/07/1021550607.db2.gz LYHLUVWQYSBUTG-MRXNPFEDSA-N 1 1 326.440 4.312 20 30 EIEDMO Cc1[nH+]c2ccc(Br)cn2c1Nc1ccccc1C#N ZINC001210738883 1021585233 /nfs/dbraw/zinc/58/52/33/1021585233.db2.gz CNEWUQLDWUMDPO-UHFFFAOYSA-N 1 1 327.185 4.021 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1CC)c1ccc(F)c(F)c1 ZINC000187790739 1021980481 /nfs/dbraw/zinc/98/04/81/1021980481.db2.gz KXWFQHXNQDCKGH-FQEVSTJZSA-N 1 1 344.405 4.373 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000378184482 1022483514 /nfs/dbraw/zinc/48/35/14/1022483514.db2.gz MVJQVBYPIDSLNB-MRXNPFEDSA-N 1 1 332.403 4.204 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000511507008 1022484956 /nfs/dbraw/zinc/48/49/56/1022484956.db2.gz OXMKRORLEINQJU-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939470 1022499522 /nfs/dbraw/zinc/49/95/22/1022499522.db2.gz MLKKBRFJBMTMQK-IRLDBZIGSA-N 1 1 337.463 4.122 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000378240756 1022557285 /nfs/dbraw/zinc/55/72/85/1022557285.db2.gz BPXCUGDXMBLLIA-MRXNPFEDSA-N 1 1 335.382 4.218 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000378493323 1022845177 /nfs/dbraw/zinc/84/51/77/1022845177.db2.gz JRRVNKCSPIHTHX-IBGZPJMESA-N 1 1 338.357 4.474 20 30 EIEDMO Cc1cc(C)cc([C@@]2(F)CC[N@@H+](CCCC3(C#N)CCOCC3)C2)c1 ZINC000376532132 1022902116 /nfs/dbraw/zinc/90/21/16/1022902116.db2.gz RGZVMPWHMJJKNU-OAQYLSRUSA-N 1 1 344.474 4.275 20 30 EIEDMO Cc1cc(C)cc([C@]2(F)CC[N@@H+](CCCC3(C#N)CCOCC3)C2)c1 ZINC000376532131 1022903076 /nfs/dbraw/zinc/90/30/76/1022903076.db2.gz RGZVMPWHMJJKNU-NRFANRHFSA-N 1 1 344.474 4.275 20 30 EIEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OCC ZINC000181393526 1023035985 /nfs/dbraw/zinc/03/59/85/1023035985.db2.gz IUYBDRDYSAWYAE-CQSZACIVSA-N 1 1 342.414 4.346 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388156280 1023081809 /nfs/dbraw/zinc/08/18/09/1023081809.db2.gz HNOIRCVQDXMPRD-HXUWFJFHSA-N 1 1 327.516 4.303 20 30 EIEDMO N#Cc1cc2ccccc2nc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311363334 1023127091 /nfs/dbraw/zinc/12/70/91/1023127091.db2.gz IHXVWWQYUQOVGC-SFHVURJKSA-N 1 1 342.446 4.040 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053235433 1023198614 /nfs/dbraw/zinc/19/86/14/1023198614.db2.gz AVGBDKWVVDHBGJ-LBPRGKRZSA-N 1 1 347.871 4.295 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C#N)CC2)cc1 ZINC000584757102 1023293297 /nfs/dbraw/zinc/29/32/97/1023293297.db2.gz PVNNCBVDBXURJW-UHFFFAOYSA-N 1 1 342.446 4.241 20 30 EIEDMO CC(C)[N@@H+]1CCc2nc(/C=C/C(=O)c3ccc(F)c(F)c3)sc2C1 ZINC000376864253 1023327466 /nfs/dbraw/zinc/32/74/66/1023327466.db2.gz LTYBXRLSDWPADE-AATRIKPKSA-N 1 1 348.418 4.084 20 30 EIEDMO CC(C)[N@H+]1CCc2nc(/C=C/C(=O)c3ccc(F)c(F)c3)sc2C1 ZINC000376864253 1023327473 /nfs/dbraw/zinc/32/74/73/1023327473.db2.gz LTYBXRLSDWPADE-AATRIKPKSA-N 1 1 348.418 4.084 20 30 EIEDMO C=CCCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000276380668 1023405595 /nfs/dbraw/zinc/40/55/95/1023405595.db2.gz YUVHHGMPEODQFP-UHFFFAOYSA-N 1 1 329.488 4.491 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001143542522 1033146144 /nfs/dbraw/zinc/14/61/44/1033146144.db2.gz DRPMVMCPPXRVLF-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001143542522 1033146152 /nfs/dbraw/zinc/14/61/52/1033146152.db2.gz DRPMVMCPPXRVLF-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000077318768 1023551064 /nfs/dbraw/zinc/55/10/64/1023551064.db2.gz VNZFJLKGHXTCTR-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000077318768 1023551086 /nfs/dbraw/zinc/55/10/86/1023551086.db2.gz VNZFJLKGHXTCTR-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1-n1cccn1 ZINC000187427891 1023556037 /nfs/dbraw/zinc/55/60/37/1023556037.db2.gz FIBUMWXIOILDRW-CQSZACIVSA-N 1 1 336.826 4.248 20 30 EIEDMO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 ZINC000341031072 1023574157 /nfs/dbraw/zinc/57/41/57/1023574157.db2.gz CPTOEAHZUJFTIN-SFHVURJKSA-N 1 1 332.407 4.158 20 30 EIEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(Cl)c1OC ZINC000127291829 1023687830 /nfs/dbraw/zinc/68/78/30/1023687830.db2.gz HJKAFKITRKFZHZ-UHFFFAOYSA-N 1 1 344.842 4.251 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000759842153 1023703439 /nfs/dbraw/zinc/70/34/39/1023703439.db2.gz CHQTVEQYZLCLEL-BFUOFWGJSA-N 1 1 346.833 4.467 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000278836188 1023749784 /nfs/dbraw/zinc/74/97/84/1023749784.db2.gz QNQBEXGRGXKQCX-HZCBDIJESA-N 1 1 348.490 4.122 20 30 EIEDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000341485410 1023808871 /nfs/dbraw/zinc/80/88/71/1023808871.db2.gz PDORTXAZMDCBOP-KRWDZBQOSA-N 1 1 336.435 4.152 20 30 EIEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000341494896 1023810316 /nfs/dbraw/zinc/81/03/16/1023810316.db2.gz YNIBXHPATLEZOC-UHOSZYNNSA-N 1 1 342.483 4.388 20 30 EIEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000341494897 1023810551 /nfs/dbraw/zinc/81/05/51/1023810551.db2.gz YNIBXHPATLEZOC-WDSOQIARSA-N 1 1 342.483 4.388 20 30 EIEDMO CCN(Cc1ccc(C#N)s1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511667434 1023825835 /nfs/dbraw/zinc/82/58/35/1023825835.db2.gz OIUBGCLQOQPLDG-AEFFLSMTSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511667434 1023825839 /nfs/dbraw/zinc/82/58/39/1023825839.db2.gz OIUBGCLQOQPLDG-AEFFLSMTSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511667434 1023825840 /nfs/dbraw/zinc/82/58/40/1023825840.db2.gz OIUBGCLQOQPLDG-AEFFLSMTSA-N 1 1 339.508 4.277 20 30 EIEDMO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762597 1024254644 /nfs/dbraw/zinc/25/46/44/1024254644.db2.gz BOGVICOLLYVZKM-MSOLQXFVSA-N 1 1 333.479 4.434 20 30 EIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)c1C ZINC001167493542 1024340743 /nfs/dbraw/zinc/34/07/43/1024340743.db2.gz ZNOLYDNWXIWREQ-QUCCMNQESA-N 1 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ZINC000328766034 1027805625 /nfs/dbraw/zinc/80/56/25/1027805625.db2.gz HAISQNJETHUVLN-OAHLLOKOSA-N 1 1 343.471 4.315 20 30 EIEDMO C[C@]1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCOC1 ZINC000329496087 1027817062 /nfs/dbraw/zinc/81/70/62/1027817062.db2.gz XFVCKRGOISRFTI-JXFKEZNVSA-N 1 1 345.487 4.019 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000444668379 1027950725 /nfs/dbraw/zinc/95/07/25/1027950725.db2.gz CDSZCWMINDDFHB-SUMWQHHRSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCC(C)(C)C#N ZINC000444689965 1027975819 /nfs/dbraw/zinc/97/58/19/1027975819.db2.gz PZEFVTPGFPTRCM-OALUTQOASA-N 1 1 341.543 4.453 20 30 EIEDMO C=CC[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000188563726 1027983901 /nfs/dbraw/zinc/98/39/01/1027983901.db2.gz WZGUQYHQMHRNAZ-NRFANRHFSA-N 1 1 336.479 4.114 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000523440881 1028117445 /nfs/dbraw/zinc/11/74/45/1028117445.db2.gz ZOYDLSUTOFJLKR-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1Cl ZINC000583158955 1028129450 /nfs/dbraw/zinc/12/94/50/1028129450.db2.gz XMFDZAMETDEIBB-NSHDSACASA-N 1 1 345.233 4.364 20 30 EIEDMO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000329913091 1028153475 /nfs/dbraw/zinc/15/34/75/1028153475.db2.gz XCSVZQNZTMCXHM-WBVHZDCISA-N 1 1 332.492 4.108 20 30 EIEDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c2n[nH]cc21 ZINC000330148854 1028214418 /nfs/dbraw/zinc/21/44/18/1028214418.db2.gz JSFOZYQUEPQSBT-AWEZNQCLSA-N 1 1 326.444 4.114 20 30 EIEDMO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330225324 1028232923 /nfs/dbraw/zinc/23/29/23/1028232923.db2.gz TVOBVAGEOGNJIA-MRXNPFEDSA-N 1 1 342.439 4.333 20 30 EIEDMO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCC[N@H+]1C1CC1 ZINC000330225324 1028232945 /nfs/dbraw/zinc/23/29/45/1028232945.db2.gz TVOBVAGEOGNJIA-MRXNPFEDSA-N 1 1 342.439 4.333 20 30 EIEDMO COc1cccc2sc(NC(=O)CC[C@H]3CCCC[N@H+]3C)nc21 ZINC000330290670 1028270479 /nfs/dbraw/zinc/27/04/79/1028270479.db2.gz GAOTTYSDDGPIDA-GFCCVEGCSA-N 1 1 333.457 4.157 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000428389379 1028302606 /nfs/dbraw/zinc/30/26/06/1028302606.db2.gz LBSIWBATDYZXLH-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000428389379 1028302626 /nfs/dbraw/zinc/30/26/26/1028302626.db2.gz LBSIWBATDYZXLH-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCC2 ZINC000354925624 1028315604 /nfs/dbraw/zinc/31/56/04/1028315604.db2.gz ZGUSURHVZQWJCO-GOSISDBHSA-N 1 1 348.494 4.476 20 30 EIEDMO CC(C)Oc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cn1 ZINC000330308918 1028362704 /nfs/dbraw/zinc/36/27/04/1028362704.db2.gz TVTGRJLWRIABBQ-GOSISDBHSA-N 1 1 345.487 4.122 20 30 EIEDMO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cn1 ZINC000330308919 1028364463 /nfs/dbraw/zinc/36/44/63/1028364463.db2.gz TVTGRJLWRIABBQ-SFHVURJKSA-N 1 1 345.487 4.122 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000346325982 1028370664 /nfs/dbraw/zinc/37/06/64/1028370664.db2.gz BSXKIJRLZFTTKO-LJQANCHMSA-N 1 1 349.478 4.012 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000346325982 1028370686 /nfs/dbraw/zinc/37/06/86/1028370686.db2.gz BSXKIJRLZFTTKO-LJQANCHMSA-N 1 1 349.478 4.012 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](C)Cc2cccc3ccccc32)c1C#N ZINC000535979395 1028372111 /nfs/dbraw/zinc/37/21/11/1028372111.db2.gz UXMHDNCPMYFIJJ-UHFFFAOYSA-N 1 1 344.414 4.130 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc3ccccc32)c1C#N ZINC000535979395 1028372127 /nfs/dbraw/zinc/37/21/27/1028372127.db2.gz UXMHDNCPMYFIJJ-UHFFFAOYSA-N 1 1 344.414 4.130 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445440325 1028560845 /nfs/dbraw/zinc/56/08/45/1028560845.db2.gz ORFLTJBQUGKQJI-AOMKIAJQSA-N 1 1 332.447 4.181 20 30 EIEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445440325 1028560861 /nfs/dbraw/zinc/56/08/61/1028560861.db2.gz ORFLTJBQUGKQJI-AOMKIAJQSA-N 1 1 332.447 4.181 20 30 EIEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432635 1028605733 /nfs/dbraw/zinc/60/57/33/1028605733.db2.gz SORAQYZKNHCADL-ICSRJNTNSA-N 1 1 326.484 4.273 20 30 EIEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432636 1028606449 /nfs/dbraw/zinc/60/64/49/1028606449.db2.gz SORAQYZKNHCADL-QUCCMNQESA-N 1 1 326.484 4.273 20 30 EIEDMO COCC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1ccccc1 ZINC000346749135 1028639060 /nfs/dbraw/zinc/63/90/60/1028639060.db2.gz IRQACVZAKCELRK-KRWDZBQOSA-N 1 1 333.435 4.021 20 30 EIEDMO COCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1ccccc1 ZINC000346749135 1028639090 /nfs/dbraw/zinc/63/90/90/1028639090.db2.gz IRQACVZAKCELRK-KRWDZBQOSA-N 1 1 333.435 4.021 20 30 EIEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000330350266 1028641776 /nfs/dbraw/zinc/64/17/76/1028641776.db2.gz KWEWSUDERGENPU-KSSFIOAISA-N 1 1 340.471 4.378 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccccc1 ZINC000027776257 1028792283 /nfs/dbraw/zinc/79/22/83/1028792283.db2.gz JPHNGFFRMDPPCU-MRXNPFEDSA-N 1 1 342.870 4.205 20 30 EIEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccccc1 ZINC000027776257 1028792295 /nfs/dbraw/zinc/79/22/95/1028792295.db2.gz JPHNGFFRMDPPCU-MRXNPFEDSA-N 1 1 342.870 4.205 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000346956232 1028829682 /nfs/dbraw/zinc/82/96/82/1028829682.db2.gz DXQJMMLZCCNRCO-GOSISDBHSA-N 1 1 337.423 4.097 20 30 EIEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000728569733 1028866777 /nfs/dbraw/zinc/86/67/77/1028866777.db2.gz KUCIVRLGIFPYSG-GHTZIAJQSA-N 1 1 338.426 4.297 20 30 EIEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000128468331 1028888139 /nfs/dbraw/zinc/88/81/39/1028888139.db2.gz IWONQTVNUKLIPQ-QMMMGPOBSA-N 1 1 343.214 4.049 20 30 EIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347171543 1028893108 /nfs/dbraw/zinc/89/31/08/1028893108.db2.gz RBZQEKUWZYPVNO-CXAGYDPISA-N 1 1 343.377 4.138 20 30 EIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347171543 1028893110 /nfs/dbraw/zinc/89/31/10/1028893110.db2.gz RBZQEKUWZYPVNO-CXAGYDPISA-N 1 1 343.377 4.138 20 30 EIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000439694821 1028965711 /nfs/dbraw/zinc/96/57/11/1028965711.db2.gz XAJIYGDEXVULGD-SFHVURJKSA-N 1 1 337.442 4.046 20 30 EIEDMO C=CCC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246165232 1029000739 /nfs/dbraw/zinc/00/07/39/1029000739.db2.gz GUNCACLFVRUBKI-AZUAARDMSA-N 1 1 343.515 4.067 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000444254833 1029117223 /nfs/dbraw/zinc/11/72/23/1029117223.db2.gz VKJHBTBTZWMSKK-GOSISDBHSA-N 1 1 337.423 4.097 20 30 EIEDMO CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000101544934 1029209964 /nfs/dbraw/zinc/20/99/64/1029209964.db2.gz DDDHLVUHBXBAMS-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000340469077 1029225299 /nfs/dbraw/zinc/22/52/99/1029225299.db2.gz YTDXSSPJNRGLQX-LBPRGKRZSA-N 1 1 326.350 4.154 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC000524811920 1029237514 /nfs/dbraw/zinc/23/75/14/1029237514.db2.gz TULJCAQFFFBLTF-UHFFFAOYSA-N 1 1 341.458 4.424 20 30 EIEDMO Cc1ccnc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000343502349 1029387815 /nfs/dbraw/zinc/38/78/15/1029387815.db2.gz CSAHITKNUVEKAL-KRWDZBQOSA-N 1 1 334.467 4.248 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127884 1029466070 /nfs/dbraw/zinc/46/60/70/1029466070.db2.gz QXBXILBZSWDVNV-OALUTQOASA-N 1 1 330.447 4.257 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000475263679 1029480067 /nfs/dbraw/zinc/48/00/67/1029480067.db2.gz CROKFNZTFQKVBQ-TZMCWYRMSA-N 1 1 329.362 4.033 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000475263677 1029480326 /nfs/dbraw/zinc/48/03/26/1029480326.db2.gz CROKFNZTFQKVBQ-OCCSQVGLSA-N 1 1 329.362 4.033 20 30 EIEDMO COCCCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000446767267 1029566403 /nfs/dbraw/zinc/56/64/03/1029566403.db2.gz KSWQSPZCPGJRLX-UHFFFAOYSA-N 1 1 325.427 4.106 20 30 EIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000525329091 1029573824 /nfs/dbraw/zinc/57/38/24/1029573824.db2.gz YYPHOPSOZQCIIL-AWEZNQCLSA-N 1 1 327.209 4.004 20 30 EIEDMO C[C@@H]1SCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000609829486 1029629412 /nfs/dbraw/zinc/62/94/12/1029629412.db2.gz XPHRXLKLMOZRFP-OXJNMPFZSA-N 1 1 338.476 4.116 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897267224 1029636444 /nfs/dbraw/zinc/63/64/44/1029636444.db2.gz CGWDVBNRHBHFOC-FQEVSTJZSA-N 1 1 342.483 4.008 20 30 EIEDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000385146269 1029668120 /nfs/dbraw/zinc/66/81/20/1029668120.db2.gz OXIDXLTXDXTHAF-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO CC[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C#N)cc1 ZINC000278680529 1029682697 /nfs/dbraw/zinc/68/26/97/1029682697.db2.gz JVHYDJIAJCXPKZ-NRFANRHFSA-N 1 1 344.462 4.238 20 30 EIEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384286677 1029769785 /nfs/dbraw/zinc/76/97/85/1029769785.db2.gz OWSHCDVHUOFMIZ-UHFFFAOYSA-N 1 1 328.843 4.250 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cccc(C)c1C)c1ccc(F)c(F)c1 ZINC000187787172 1029794979 /nfs/dbraw/zinc/79/49/79/1029794979.db2.gz WMFBRZUTDFAIBP-FQEVSTJZSA-N 1 1 344.405 4.427 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000447400496 1030060804 /nfs/dbraw/zinc/06/08/04/1030060804.db2.gz PDFJFPMMFLVSRJ-ZDUSSCGKSA-N 1 1 333.501 4.076 20 30 EIEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000530307822 1030297156 /nfs/dbraw/zinc/29/71/56/1030297156.db2.gz IDEWPMXTDOEXJR-UHFFFAOYSA-N 1 1 348.233 4.179 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451457478 1030513273 /nfs/dbraw/zinc/51/32/73/1030513273.db2.gz DHNUEBPAQJBFDK-FQEVSTJZSA-N 1 1 346.434 4.041 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685604404 1030559037 /nfs/dbraw/zinc/55/90/37/1030559037.db2.gz LRJIPLAZRQZAMY-ZWKOTPCHSA-N 1 1 349.396 4.090 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685604404 1030559052 /nfs/dbraw/zinc/55/90/52/1030559052.db2.gz LRJIPLAZRQZAMY-ZWKOTPCHSA-N 1 1 349.396 4.090 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622233 1030780382 /nfs/dbraw/zinc/78/03/82/1030780382.db2.gz JTYGUSIAAFBMIY-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622233 1030780405 /nfs/dbraw/zinc/78/04/05/1030780405.db2.gz JTYGUSIAAFBMIY-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451981100 1030807838 /nfs/dbraw/zinc/80/78/38/1030807838.db2.gz DPMGEUWZOSVLSZ-IBGZPJMESA-N 1 1 330.447 4.372 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000103139988 1030846598 /nfs/dbraw/zinc/84/65/98/1030846598.db2.gz TULDSICJEOZNDR-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000103139988 1030846601 /nfs/dbraw/zinc/84/66/01/1030846601.db2.gz TULDSICJEOZNDR-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612163212 1031073928 /nfs/dbraw/zinc/07/39/28/1031073928.db2.gz PLDBPUNQMDBLPM-QGZVFWFLSA-N 1 1 340.389 4.490 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000548910687 1031311741 /nfs/dbraw/zinc/31/17/41/1031311741.db2.gz PBWNIVPQXOSWLS-SFHVURJKSA-N 1 1 330.428 4.075 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCCC2)O1 ZINC000548910686 1031312450 /nfs/dbraw/zinc/31/24/50/1031312450.db2.gz PBWNIVPQXOSWLS-GOSISDBHSA-N 1 1 330.428 4.075 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449051871 1031404951 /nfs/dbraw/zinc/40/49/51/1031404951.db2.gz WSYUFICSSASHMI-OSHAMATESA-N 1 1 341.499 4.180 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NC2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449051871 1031404960 /nfs/dbraw/zinc/40/49/60/1031404960.db2.gz WSYUFICSSASHMI-OSHAMATESA-N 1 1 341.499 4.180 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)c(F)c1 ZINC000375936010 1031552365 /nfs/dbraw/zinc/55/23/65/1031552365.db2.gz YMKXTMWJTOUMCX-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472441481 1031656435 /nfs/dbraw/zinc/65/64/35/1031656435.db2.gz YATGGJRRKJELMD-AZUAARDMSA-N 1 1 327.516 4.474 20 30 EIEDMO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1Cl ZINC000365443783 1031680088 /nfs/dbraw/zinc/68/00/88/1031680088.db2.gz PBFVOCXNFPFRBC-CJNGLKHVSA-N 1 1 348.805 4.032 20 30 EIEDMO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1Cl ZINC000365443783 1031680097 /nfs/dbraw/zinc/68/00/97/1031680097.db2.gz PBFVOCXNFPFRBC-CJNGLKHVSA-N 1 1 348.805 4.032 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000612585443 1031680403 /nfs/dbraw/zinc/68/04/03/1031680403.db2.gz DTAVZXZCNDGZEB-UHFFFAOYSA-N 1 1 335.167 4.107 20 30 EIEDMO N#Cc1c(F)ccc(C[NH2+][C@H]2CCCOc3ccccc32)c1Cl ZINC000365463530 1031689376 /nfs/dbraw/zinc/68/93/76/1031689376.db2.gz IOBHNDAMJXBKFE-INIZCTEOSA-N 1 1 330.790 4.354 20 30 EIEDMO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453236515 1031756136 /nfs/dbraw/zinc/75/61/36/1031756136.db2.gz UQOZUYLEHKEFID-NJDAHSKKSA-N 1 1 339.527 4.349 20 30 EIEDMO CCc1cccc2c(C3CC[NH+](C[C@@H](C#N)CCC#N)CC3)c[nH]c21 ZINC000129049955 1031776875 /nfs/dbraw/zinc/77/68/75/1031776875.db2.gz CTJHCLCUSWFKPW-MRXNPFEDSA-N 1 1 334.467 4.353 20 30 EIEDMO C[C@H](CC(C)(C)S)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545572 1032008558 /nfs/dbraw/zinc/00/85/58/1032008558.db2.gz KIFAOIZEYOBQHG-LLVKDONJSA-N 1 1 346.334 4.377 20 30 EIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000053279350 1032024774 /nfs/dbraw/zinc/02/47/74/1032024774.db2.gz FXCBXMVALCTSRX-KRWDZBQOSA-N 1 1 339.464 4.094 20 30 EIEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512615490 1033500959 /nfs/dbraw/zinc/50/09/59/1033500959.db2.gz ZFBOFRZNFMSJOI-OLZOCXBDSA-N 1 1 328.387 4.126 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)cc1 ZINC000614162974 1033541301 /nfs/dbraw/zinc/54/13/01/1033541301.db2.gz LNYYVPSJHDDHFR-IBGZPJMESA-N 1 1 334.463 4.486 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168840 1033554911 /nfs/dbraw/zinc/55/49/11/1033554911.db2.gz XLAPPNNNVDASPX-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168840 1033554926 /nfs/dbraw/zinc/55/49/26/1033554926.db2.gz XLAPPNNNVDASPX-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512635810 1033576853 /nfs/dbraw/zinc/57/68/53/1033576853.db2.gz IKKWYUSRKJYXQU-RYUDHWBXSA-N 1 1 346.377 4.265 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1F ZINC000512662718 1033636552 /nfs/dbraw/zinc/63/65/52/1033636552.db2.gz ZUHJUADGOAGEAF-NSHDSACASA-N 1 1 338.304 4.447 20 30 EIEDMO CCc1ccc([C@H](CN[C@H](C)c2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000512666931 1033667718 /nfs/dbraw/zinc/66/77/18/1033667718.db2.gz MUJYWIZUCHQZIL-VFNWGFHPSA-N 1 1 339.458 4.213 20 30 EIEDMO CO[C@H](C)c1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433030421 1033697363 /nfs/dbraw/zinc/69/73/63/1033697363.db2.gz FMWFVCSPVOBXNM-PBHICJAKSA-N 1 1 329.469 4.375 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236019 1033870747 /nfs/dbraw/zinc/87/07/47/1033870747.db2.gz WKOMKQBFUTXQNU-HKUYNNGSSA-N 1 1 344.462 4.381 20 30 EIEDMO C=C(C)COc1cc(CNCC[N@@H+]2CCCC[C@@H]2CC)ccc1OC ZINC000500899201 1034001096 /nfs/dbraw/zinc/00/10/96/1034001096.db2.gz ZHTDKMKLKRAHLJ-IBGZPJMESA-N 1 1 346.515 4.004 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]CCN2CCCC[C@@H]2CC)ccc1OC ZINC000500899201 1034001111 /nfs/dbraw/zinc/00/11/11/1034001111.db2.gz ZHTDKMKLKRAHLJ-IBGZPJMESA-N 1 1 346.515 4.004 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(F)c(F)c1 ZINC000433327067 1034236749 /nfs/dbraw/zinc/23/67/49/1034236749.db2.gz NILRJOVMRWPRPE-GOSISDBHSA-N 1 1 329.350 4.355 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419334065 1034324193 /nfs/dbraw/zinc/32/41/93/1034324193.db2.gz UYWJHSQQBDSWNB-IAGOWNOFSA-N 1 1 338.455 4.255 20 30 EIEDMO CC(C)(CC#N)C[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000419350042 1034395899 /nfs/dbraw/zinc/39/58/99/1034395899.db2.gz NKAMRJWZEHGGBX-SFHVURJKSA-N 1 1 339.414 4.035 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000614396019 1034533971 /nfs/dbraw/zinc/53/39/71/1034533971.db2.gz OTZNFFRPVLHHJP-HXUWFJFHSA-N 1 1 336.435 4.221 20 30 EIEDMO CCCCCCCCOCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000279972262 1034741255 /nfs/dbraw/zinc/74/12/55/1034741255.db2.gz DBTLIBVAXGWUJI-IBGZPJMESA-N 1 1 344.503 4.251 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 ZINC000513419783 1034925274 /nfs/dbraw/zinc/92/52/74/1034925274.db2.gz JOZRPCBDQCAEPJ-UHFFFAOYSA-N 1 1 338.407 4.215 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000513412120 1034929271 /nfs/dbraw/zinc/92/92/71/1034929271.db2.gz VHDNZVKONXSLJC-HNNXBMFYSA-N 1 1 347.418 4.326 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000513412120 1034929284 /nfs/dbraw/zinc/92/92/84/1034929284.db2.gz VHDNZVKONXSLJC-HNNXBMFYSA-N 1 1 347.418 4.326 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)c1C ZINC000501098059 1035376604 /nfs/dbraw/zinc/37/66/04/1035376604.db2.gz CIRQFYOGZVITRR-LJQANCHMSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CCCSCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000595059178 1035534495 /nfs/dbraw/zinc/53/44/95/1035534495.db2.gz MCGBWZSIJMSFOO-KRWDZBQOSA-N 1 1 335.904 4.062 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC000904732683 1035565835 /nfs/dbraw/zinc/56/58/35/1035565835.db2.gz KKPBQFXIOKNIIO-LLVKDONJSA-N 1 1 342.226 4.312 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3nsc4ccccc34)CC2)cc1 ZINC000595302073 1035637622 /nfs/dbraw/zinc/63/76/22/1035637622.db2.gz JJHXBSJMTQGJCO-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000574973810 1035645918 /nfs/dbraw/zinc/64/59/18/1035645918.db2.gz ICEZCRKQUXXWSB-PMUMKWKESA-N 1 1 337.471 4.308 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595433933 1035679160 /nfs/dbraw/zinc/67/91/60/1035679160.db2.gz XBKSQHVCFUREON-LEWJYISDSA-N 1 1 338.426 4.092 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c(C(F)(F)F)c1 ZINC000595487105 1035682378 /nfs/dbraw/zinc/68/23/78/1035682378.db2.gz DTLASWDNLCRYMV-INIZCTEOSA-N 1 1 345.368 4.352 20 30 EIEDMO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000595617448 1035737784 /nfs/dbraw/zinc/73/77/84/1035737784.db2.gz WCGNUPGPPRKFOX-AWEZNQCLSA-N 1 1 329.831 4.429 20 30 EIEDMO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000595617448 1035737799 /nfs/dbraw/zinc/73/77/99/1035737799.db2.gz WCGNUPGPPRKFOX-AWEZNQCLSA-N 1 1 329.831 4.429 20 30 EIEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1F ZINC000593113613 1035775161 /nfs/dbraw/zinc/77/51/61/1035775161.db2.gz QXGXRDNVPYBBCD-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO CC1(C)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)C1 ZINC000595749263 1035781764 /nfs/dbraw/zinc/78/17/64/1035781764.db2.gz JJWSXFIVDRZGLK-UHFFFAOYSA-N 1 1 338.455 4.256 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1F ZINC000595750397 1035782716 /nfs/dbraw/zinc/78/27/16/1035782716.db2.gz BFXAFQGBPHFXQX-GOSISDBHSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1F ZINC000595750397 1035782736 /nfs/dbraw/zinc/78/27/36/1035782736.db2.gz BFXAFQGBPHFXQX-GOSISDBHSA-N 1 1 328.362 4.182 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595841161 1035800065 /nfs/dbraw/zinc/80/00/65/1035800065.db2.gz RWCWOABKNUTOIW-OAQYLSRUSA-N 1 1 349.434 4.043 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595841161 1035800067 /nfs/dbraw/zinc/80/00/67/1035800067.db2.gz RWCWOABKNUTOIW-OAQYLSRUSA-N 1 1 349.434 4.043 20 30 EIEDMO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000485469435 1035917449 /nfs/dbraw/zinc/91/74/49/1035917449.db2.gz VYYNVWSEEGKCLQ-KRWDZBQOSA-N 1 1 346.540 4.063 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccsc1 ZINC000420998362 1035933323 /nfs/dbraw/zinc/93/33/23/1035933323.db2.gz AYSARYOVBWPAPT-GFCCVEGCSA-N 1 1 333.482 4.091 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccsc1 ZINC000420998362 1035933358 /nfs/dbraw/zinc/93/33/58/1035933358.db2.gz AYSARYOVBWPAPT-GFCCVEGCSA-N 1 1 333.482 4.091 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000571254120 1036010154 /nfs/dbraw/zinc/01/01/54/1036010154.db2.gz XSZQTCQVVFMHQO-FQEVSTJZSA-N 1 1 333.435 4.114 20 30 EIEDMO O[C@@H](C[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)c1cccs1 ZINC000156559032 1036037219 /nfs/dbraw/zinc/03/72/19/1036037219.db2.gz FSATWHNUMKJGQU-ROUUACIJSA-N 1 1 345.895 4.341 20 30 EIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)c1 ZINC000571450639 1036047801 /nfs/dbraw/zinc/04/78/01/1036047801.db2.gz DGEABSFJTLZSNA-NRFANRHFSA-N 1 1 342.446 4.177 20 30 EIEDMO CCCCCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172461 1036124110 /nfs/dbraw/zinc/12/41/10/1036124110.db2.gz ADUUTNAHQDYCQP-KRWDZBQOSA-N 1 1 330.472 4.390 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCC1 ZINC000597159311 1036138585 /nfs/dbraw/zinc/13/85/85/1036138585.db2.gz XVHSUXXBMQPGHX-UHFFFAOYSA-N 1 1 325.387 4.187 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCCC(C)C ZINC000597173628 1036141961 /nfs/dbraw/zinc/14/19/61/1036141961.db2.gz LIULVEDIOJTUKW-KRWDZBQOSA-N 1 1 330.472 4.246 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597174671 1036144333 /nfs/dbraw/zinc/14/43/33/1036144333.db2.gz SSLULLASIGUNJR-GFCCVEGCSA-N 1 1 337.250 4.395 20 30 EIEDMO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000597228782 1036162997 /nfs/dbraw/zinc/16/29/97/1036162997.db2.gz GINVPLKOUMXCOG-NRFANRHFSA-N 1 1 336.435 4.106 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000597228782 1036163005 /nfs/dbraw/zinc/16/30/05/1036163005.db2.gz GINVPLKOUMXCOG-NRFANRHFSA-N 1 1 336.435 4.106 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224369 1036168991 /nfs/dbraw/zinc/16/89/91/1036168991.db2.gz HESLHERGAYBKTG-CTNGQTDRSA-N 1 1 342.483 4.150 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1Br ZINC000513746529 1036217866 /nfs/dbraw/zinc/21/78/66/1036217866.db2.gz YREVUVQYWACKNU-UHFFFAOYSA-N 1 1 339.277 4.219 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1Br ZINC000513746529 1036217883 /nfs/dbraw/zinc/21/78/83/1036217883.db2.gz YREVUVQYWACKNU-UHFFFAOYSA-N 1 1 339.277 4.219 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000502467404 1036244132 /nfs/dbraw/zinc/24/41/32/1036244132.db2.gz WCKXSSPESMHCMB-INIZCTEOSA-N 1 1 340.492 4.424 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000502467404 1036244138 /nfs/dbraw/zinc/24/41/38/1036244138.db2.gz WCKXSSPESMHCMB-INIZCTEOSA-N 1 1 340.492 4.424 20 30 EIEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555263 1036342239 /nfs/dbraw/zinc/34/22/39/1036342239.db2.gz WATFJFOIEGYJSR-OAHLLOKOSA-N 1 1 333.391 4.317 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000485887936 1036354611 /nfs/dbraw/zinc/35/46/11/1036354611.db2.gz IUYAEKMLESFPHV-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000906628115 1036362316 /nfs/dbraw/zinc/36/23/16/1036362316.db2.gz MJALTCQKTFTOFT-JKSUJKDBSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000602457372 1036453323 /nfs/dbraw/zinc/45/33/23/1036453323.db2.gz AOIGVNSRTCENKK-LJQANCHMSA-N 1 1 336.479 4.400 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000602455529 1036454744 /nfs/dbraw/zinc/45/47/44/1036454744.db2.gz SVRJFSJGYTYDAI-INIZCTEOSA-N 1 1 342.462 4.030 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)[C@@H](CC)CN1C[C@@H](C)CCC#N ZINC000602494923 1036469366 /nfs/dbraw/zinc/46/93/66/1036469366.db2.gz RAJYMQGHMIIKKY-JVSBHGNQSA-N 1 1 332.536 4.041 20 30 EIEDMO CC[C@@H]1CN(C[C@H](C)CCC#N)[C@@H](CC)C[N@@H+]1C[C@@H](C)CCC#N ZINC000602494923 1036469376 /nfs/dbraw/zinc/46/93/76/1036469376.db2.gz RAJYMQGHMIIKKY-JVSBHGNQSA-N 1 1 332.536 4.041 20 30 EIEDMO CC[C@@H]1CN(C[C@H](C)CCC#N)[C@@H](CC)C[N@H+]1C[C@@H](C)CCC#N ZINC000602494923 1036469386 /nfs/dbraw/zinc/46/93/86/1036469386.db2.gz RAJYMQGHMIIKKY-JVSBHGNQSA-N 1 1 332.536 4.041 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540235 1036489435 /nfs/dbraw/zinc/48/94/35/1036489435.db2.gz YAWIOGQOJVJFGR-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540235 1036489450 /nfs/dbraw/zinc/48/94/50/1036489450.db2.gz YAWIOGQOJVJFGR-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H](C)CCC#N)cc1 ZINC000602637593 1036549768 /nfs/dbraw/zinc/54/97/68/1036549768.db2.gz GOIOZUVSKKMDHM-SFHVURJKSA-N 1 1 337.467 4.075 20 30 EIEDMO N#CCC1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000602798553 1036626105 /nfs/dbraw/zinc/62/61/05/1036626105.db2.gz QMRNHMYNAJAYHH-LLVKDONJSA-N 1 1 329.391 4.035 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(Cl)c1 ZINC000602883572 1036657253 /nfs/dbraw/zinc/65/72/53/1036657253.db2.gz OMTRWAPQSVMBSL-QGZVFWFLSA-N 1 1 348.837 4.144 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889956 1036662401 /nfs/dbraw/zinc/66/24/01/1036662401.db2.gz XNXZZIBVLNLHNY-HNAYVOBHSA-N 1 1 328.419 4.052 20 30 EIEDMO CC(C)(C)c1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602914124 1036678241 /nfs/dbraw/zinc/67/82/41/1036678241.db2.gz YKACEFOACXTTKU-UHFFFAOYSA-N 1 1 340.496 4.087 20 30 EIEDMO C[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC000602977409 1036686165 /nfs/dbraw/zinc/68/61/65/1036686165.db2.gz ATJZOXKIGCRFMA-CZUORRHYSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC000602977409 1036686178 /nfs/dbraw/zinc/68/61/78/1036686178.db2.gz ATJZOXKIGCRFMA-CZUORRHYSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602974927 1036692673 /nfs/dbraw/zinc/69/26/73/1036692673.db2.gz VYNAIYBETOTXBB-QUCCMNQESA-N 1 1 333.435 4.063 20 30 EIEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602974927 1036692705 /nfs/dbraw/zinc/69/27/05/1036692705.db2.gz VYNAIYBETOTXBB-QUCCMNQESA-N 1 1 333.435 4.063 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590794 1036708575 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4.265 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1 ZINC000761311856 1036838687 /nfs/dbraw/zinc/83/86/87/1036838687.db2.gz UHHQUECBCCPKAZ-KRWDZBQOSA-N 1 1 332.216 4.442 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)C1 ZINC000486754270 1036847561 /nfs/dbraw/zinc/84/75/61/1036847561.db2.gz LTXKEBMDVXJQMJ-AWEZNQCLSA-N 1 1 339.464 4.104 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000599261961 1036931673 /nfs/dbraw/zinc/93/16/73/1036931673.db2.gz ZASUJBANOXORTO-UHFFFAOYSA-N 1 1 346.377 4.109 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526778 1037057642 /nfs/dbraw/zinc/05/76/42/1037057642.db2.gz RSMQWEJWKIYECA-SWLSCSKDSA-N 1 1 339.302 4.308 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000599651374 1037118787 /nfs/dbraw/zinc/11/87/87/1037118787.db2.gz GIRCYGBTMXRNIU-YCPHGPKFSA-N 1 1 346.272 4.070 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000604271957 1037324206 /nfs/dbraw/zinc/32/42/06/1037324206.db2.gz DCKBMNNUBFQODO-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000604271957 1037324225 /nfs/dbraw/zinc/32/42/25/1037324225.db2.gz DCKBMNNUBFQODO-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCC1 ZINC000591357722 1037393380 /nfs/dbraw/zinc/39/33/80/1037393380.db2.gz CGUXGNMDGURYJI-UHFFFAOYSA-N 1 1 334.467 4.009 20 30 EIEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503199062 1037593156 /nfs/dbraw/zinc/59/31/56/1037593156.db2.gz LBBDWNUYMQPQAT-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+](C4CCC4)C[C@H](C)C3)c2c1 ZINC000488757282 1037739391 /nfs/dbraw/zinc/73/93/91/1037739391.db2.gz YAKHDTLBMHBNLH-INIZCTEOSA-N 1 1 348.494 4.034 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592165706 1037748869 /nfs/dbraw/zinc/74/88/69/1037748869.db2.gz DVWVJANKHQMGNY-WOJBJXKFSA-N 1 1 328.500 4.165 20 30 EIEDMO Cc1cccc(C2([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CCC2)c1 ZINC000592146441 1037752430 /nfs/dbraw/zinc/75/24/30/1037752430.db2.gz QENQKPRBBOCHFB-UHFFFAOYSA-N 1 1 344.418 4.086 20 30 EIEDMO Cc1ccc(C2([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCC2)cc1 ZINC000592188380 1037780052 /nfs/dbraw/zinc/78/00/52/1037780052.db2.gz OIDQNWBSSZHICM-UHFFFAOYSA-N 1 1 344.418 4.086 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000605738766 1037859255 /nfs/dbraw/zinc/85/92/55/1037859255.db2.gz PTYPCGKOBSCPCB-HXUWFJFHSA-N 1 1 342.508 4.160 20 30 EIEDMO CCC1(CC)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000190412916 1037880548 /nfs/dbraw/zinc/88/05/48/1037880548.db2.gz XDOODKUDGOKBCH-UHFFFAOYSA-N 1 1 338.455 4.401 20 30 EIEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1 ZINC000592984973 1037896819 /nfs/dbraw/zinc/89/68/19/1037896819.db2.gz DFQNAXWKHLCIRZ-FXAWDEMLSA-N 1 1 334.463 4.012 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000593034147 1037899818 /nfs/dbraw/zinc/89/98/18/1037899818.db2.gz DNANKMUXZNKZDX-FQEVSTJZSA-N 1 1 345.402 4.360 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000593034147 1037899821 /nfs/dbraw/zinc/89/98/21/1037899821.db2.gz DNANKMUXZNKZDX-FQEVSTJZSA-N 1 1 345.402 4.360 20 30 EIEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423032859 1037916115 /nfs/dbraw/zinc/91/61/15/1037916115.db2.gz NFWLXPFAUKYEQF-VZZYARLZSA-N 1 1 331.463 4.159 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000489434249 1038045743 /nfs/dbraw/zinc/04/57/43/1038045743.db2.gz UZCGSUNKLIBFLM-INIZCTEOSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000489434249 1038045758 /nfs/dbraw/zinc/04/57/58/1038045758.db2.gz UZCGSUNKLIBFLM-INIZCTEOSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000489458429 1038053591 /nfs/dbraw/zinc/05/35/91/1038053591.db2.gz DJXRMNKCJYBWKK-QGZVFWFLSA-N 1 1 342.464 4.137 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000489458429 1038053618 /nfs/dbraw/zinc/05/36/18/1038053618.db2.gz DJXRMNKCJYBWKK-QGZVFWFLSA-N 1 1 342.464 4.137 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000489443131 1038057982 /nfs/dbraw/zinc/05/79/82/1038057982.db2.gz WULDVFCRBPGOPJ-AWEZNQCLSA-N 1 1 337.345 4.296 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000489443131 1038058004 /nfs/dbraw/zinc/05/80/04/1038058004.db2.gz WULDVFCRBPGOPJ-AWEZNQCLSA-N 1 1 337.345 4.296 20 30 EIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075740857 1038067355 /nfs/dbraw/zinc/06/73/55/1038067355.db2.gz KCDSMVWGJPYBDY-FQEVSTJZSA-N 1 1 346.434 4.437 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCCC1 ZINC000593654317 1038121233 /nfs/dbraw/zinc/12/12/33/1038121233.db2.gz AVSADVWTWZBOGF-UHFFFAOYSA-N 1 1 333.682 4.338 20 30 EIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(F)cc1C#N ZINC000489604798 1038160049 /nfs/dbraw/zinc/16/00/49/1038160049.db2.gz NQDZUNUKXFUZQN-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(F)cc1C#N ZINC000489604798 1038160085 /nfs/dbraw/zinc/16/00/85/1038160085.db2.gz NQDZUNUKXFUZQN-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063299759 1038198670 /nfs/dbraw/zinc/19/86/70/1038198670.db2.gz FECQZSLFALZQEZ-UHFFFAOYSA-N 1 1 328.362 4.348 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905203 1038261688 /nfs/dbraw/zinc/26/16/88/1038261688.db2.gz HFLDNTKJIQVLNG-GCKMJXCFSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905203 1038261699 /nfs/dbraw/zinc/26/16/99/1038261699.db2.gz HFLDNTKJIQVLNG-GCKMJXCFSA-N 1 1 337.442 4.011 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)nc1 ZINC000574581118 1038297205 /nfs/dbraw/zinc/29/72/05/1038297205.db2.gz AKXFLOQUTOUYRI-UHFFFAOYSA-N 1 1 329.806 4.067 20 30 EIEDMO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046517982 1038298034 /nfs/dbraw/zinc/29/80/34/1038298034.db2.gz ABXRNFRQUYFXNT-UWJYYQICSA-N 1 1 349.478 4.036 20 30 EIEDMO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046517982 1038298058 /nfs/dbraw/zinc/29/80/58/1038298058.db2.gz ABXRNFRQUYFXNT-UWJYYQICSA-N 1 1 349.478 4.036 20 30 EIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000606902646 1038299491 /nfs/dbraw/zinc/29/94/91/1038299491.db2.gz GFYUYKGRMKMPCN-UHFFFAOYSA-N 1 1 326.843 4.486 20 30 EIEDMO COc1cccc(Cl)c1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594504707 1038350979 /nfs/dbraw/zinc/35/09/79/1038350979.db2.gz TVLLKGFSWGVHED-UHFFFAOYSA-N 1 1 328.843 4.440 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000063482778 1038386980 /nfs/dbraw/zinc/38/69/80/1038386980.db2.gz PUHHDUASQOUMIA-UHFFFAOYSA-N 1 1 347.871 4.124 20 30 EIEDMO C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001168405089 1038389012 /nfs/dbraw/zinc/38/90/12/1038389012.db2.gz WTYJBYIJZCQKOH-GBESFXJTSA-N 1 1 348.531 4.195 20 30 EIEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926982 1038430804 /nfs/dbraw/zinc/43/08/04/1038430804.db2.gz STMHRWBDQMXJJY-GOSISDBHSA-N 1 1 347.506 4.461 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SC3CCCC3)cc2)nn1 ZINC000424291279 1038768922 /nfs/dbraw/zinc/76/89/22/1038768922.db2.gz DJZGIXFORLYVKJ-HNNXBMFYSA-N 1 1 342.512 4.350 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)nn1 ZINC000424292044 1038769621 /nfs/dbraw/zinc/76/96/21/1038769621.db2.gz FYCBXJHIRAANKC-SFHVURJKSA-N 1 1 330.863 4.139 20 30 EIEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000424336506 1038811117 /nfs/dbraw/zinc/81/11/17/1038811117.db2.gz JCCGUOHCNYYRKO-GOSISDBHSA-N 1 1 348.406 4.009 20 30 EIEDMO CCc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000424336783 1038811477 /nfs/dbraw/zinc/81/14/77/1038811477.db2.gz YPZSMBOCGHCYTN-OHNRDTAOSA-N 1 1 339.395 4.121 20 30 EIEDMO CCOc1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750839 1038815059 /nfs/dbraw/zinc/81/50/59/1038815059.db2.gz TUVBVOYCSKGSDL-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480785478 1038816851 /nfs/dbraw/zinc/81/68/51/1038816851.db2.gz IAIKTHQYMCMIMI-UHFFFAOYSA-N 1 1 327.859 4.467 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(F)c1F ZINC000539329006 1038991555 /nfs/dbraw/zinc/99/15/55/1038991555.db2.gz XEFDTMHMHJISPW-JTQLQIEISA-N 1 1 338.304 4.289 20 30 EIEDMO C=CCC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000505091750 1038993659 /nfs/dbraw/zinc/99/36/59/1038993659.db2.gz BBVVECMRNQEOPT-UHFFFAOYSA-N 1 1 339.277 4.052 20 30 EIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccnn2C2CCC2)c2ccccn21 ZINC000899396784 1039081191 /nfs/dbraw/zinc/08/11/91/1039081191.db2.gz HKBGZOYJKRWNGO-MDZDMXLPSA-N 1 1 334.423 4.275 20 30 EIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cnn(C3CCC3)c2)c2ccccn21 ZINC000899408297 1039102708 /nfs/dbraw/zinc/10/27/08/1039102708.db2.gz XVAGGYOTLUCEAB-MDZDMXLPSA-N 1 1 334.423 4.275 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000090401735 1039222505 /nfs/dbraw/zinc/22/25/05/1039222505.db2.gz NYNRXCBDHZBRLK-OAHLLOKOSA-N 1 1 349.459 4.068 20 30 EIEDMO C=C[C@@H](CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)c1ccccc1 ZINC000899508098 1039226421 /nfs/dbraw/zinc/22/64/21/1039226421.db2.gz KBADYLCNNSBOHQ-KRWDZBQOSA-N 1 1 337.467 4.092 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ncc1Br ZINC000600167795 1039340228 /nfs/dbraw/zinc/34/02/28/1039340228.db2.gz YGOGTUNHMNNYND-ZDUSSCGKSA-N 1 1 344.256 4.217 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214135 1039377583 /nfs/dbraw/zinc/37/75/83/1039377583.db2.gz KVZIMSGPSWUSCR-IBGZPJMESA-N 1 1 336.435 4.064 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000059931270 1039462650 /nfs/dbraw/zinc/46/26/50/1039462650.db2.gz KWCJEAPIHLJMJA-UHFFFAOYSA-N 1 1 332.403 4.232 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000534622618 1039616947 /nfs/dbraw/zinc/61/69/47/1039616947.db2.gz WNGKNLOLUGUQEC-QGZVFWFLSA-N 1 1 347.462 4.237 20 30 EIEDMO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1)c1ccccc1 ZINC000505501228 1039853723 /nfs/dbraw/zinc/85/37/23/1039853723.db2.gz ZRKZGQDTZBYTQU-KNQAVFIVSA-N 1 1 348.490 4.082 20 30 EIEDMO N#Cc1c(F)cccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534979444 1039873803 /nfs/dbraw/zinc/87/38/03/1039873803.db2.gz CRQFVDPEYQFPQK-UHFFFAOYSA-N 1 1 349.453 4.190 20 30 EIEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC000282084320 1039918297 /nfs/dbraw/zinc/91/82/97/1039918297.db2.gz UTYQGQDCAXEXQP-UHFFFAOYSA-N 1 1 328.500 4.288 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000152713335 1040056575 /nfs/dbraw/zinc/05/65/75/1040056575.db2.gz VDJOJZFVGAOYCA-MRXNPFEDSA-N 1 1 329.444 4.226 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000152713335 1040056595 /nfs/dbraw/zinc/05/65/95/1040056595.db2.gz VDJOJZFVGAOYCA-MRXNPFEDSA-N 1 1 329.444 4.226 20 30 EIEDMO C=CCC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000435096724 1040067165 /nfs/dbraw/zinc/06/71/65/1040067165.db2.gz XUPISNXGHRKSGW-RAFMOHDBSA-N 1 1 341.499 4.008 20 30 EIEDMO N#CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000346739960 1040272000 /nfs/dbraw/zinc/27/20/00/1040272000.db2.gz LVLSVEOQRFKFLK-UHFFFAOYSA-N 1 1 331.759 4.044 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc1 ZINC000479414073 1040337383 /nfs/dbraw/zinc/33/73/83/1040337383.db2.gz FFVUBYNVOGSXBO-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368998 1040355390 /nfs/dbraw/zinc/35/53/90/1040355390.db2.gz YVGLPXFMWBGUSL-MRXNPFEDSA-N 1 1 336.435 4.325 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653107 1040416037 /nfs/dbraw/zinc/41/60/37/1040416037.db2.gz WQSWSCGREKXTPT-MRXNPFEDSA-N 1 1 342.483 4.441 20 30 EIEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553864839 1040594717 /nfs/dbraw/zinc/59/47/17/1040594717.db2.gz ALZQDTIUHRFQQV-RXVVDRJESA-N 1 1 340.511 4.069 20 30 EIEDMO C=CCC[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000435763256 1040601314 /nfs/dbraw/zinc/60/13/14/1040601314.db2.gz QIUJWBFPPFEPBD-WOJBJXKFSA-N 1 1 343.515 4.210 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000537725739 1040776239 /nfs/dbraw/zinc/77/62/39/1040776239.db2.gz YVHHLLTZVFLSLN-CRAIPNDOSA-N 1 1 345.874 4.184 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000539819070 1040814723 /nfs/dbraw/zinc/81/47/23/1040814723.db2.gz KEVQREGJYMCIRN-LJQANCHMSA-N 1 1 335.875 4.297 20 30 EIEDMO C=CCOc1cccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1 ZINC000483329591 1040824585 /nfs/dbraw/zinc/82/45/85/1040824585.db2.gz FSQHUZNZSVDLCB-UHFFFAOYSA-N 1 1 339.435 4.130 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000539850582 1040839702 /nfs/dbraw/zinc/83/97/02/1040839702.db2.gz XQGDTCANGMSBJM-HNAYVOBHSA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000539850582 1040839713 /nfs/dbraw/zinc/83/97/13/1040839713.db2.gz XQGDTCANGMSBJM-HNAYVOBHSA-N 1 1 329.465 4.275 20 30 EIEDMO Cc1nsc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000515657511 1040931449 /nfs/dbraw/zinc/93/14/49/1040931449.db2.gz WMIJFKDRYHNALF-PBHICJAKSA-N 1 1 340.496 4.036 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 ZINC000480192526 1041067327 /nfs/dbraw/zinc/06/73/27/1041067327.db2.gz HXHBTBKGGDRIJN-LBPRGKRZSA-N 1 1 338.760 4.456 20 30 EIEDMO C[N@@H+](CCC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000554398375 1041082652 /nfs/dbraw/zinc/08/26/52/1041082652.db2.gz FKXDRUXJKMHCLH-HXUWFJFHSA-N 1 1 341.499 4.192 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963610 1041087753 /nfs/dbraw/zinc/08/77/53/1041087753.db2.gz YSGJLJRCCAEDOL-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963610 1041087774 /nfs/dbraw/zinc/08/77/74/1041087774.db2.gz YSGJLJRCCAEDOL-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000484078921 1041106348 /nfs/dbraw/zinc/10/63/48/1041106348.db2.gz LDWMEVSNRQHYFR-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000538148582 1041115416 /nfs/dbraw/zinc/11/54/16/1041115416.db2.gz WJDCHMRVZJRZBL-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741375 1041130182 /nfs/dbraw/zinc/13/01/82/1041130182.db2.gz JKNMXKPKETXPPN-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741375 1041130184 /nfs/dbraw/zinc/13/01/84/1041130184.db2.gz JKNMXKPKETXPPN-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(OCC2CC2)c(F)c1 ZINC000538222913 1041179040 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C=CC[N@@H+](CCC(=O)N1CCc2sccc2C1)CC1CCCCC1 ZINC000484630712 1041378499 /nfs/dbraw/zinc/37/84/99/1041378499.db2.gz PXXVCODNMIZMOU-UHFFFAOYSA-N 1 1 346.540 4.091 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(Cl)cc1 ZINC000540330089 1041387856 /nfs/dbraw/zinc/38/78/56/1041387856.db2.gz BLBQXLOAWWJFOM-SFHVURJKSA-N 1 1 342.826 4.239 20 30 EIEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000484665003 1041394295 /nfs/dbraw/zinc/39/42/95/1041394295.db2.gz RINMOSPLRDMPOW-KRWDZBQOSA-N 1 1 338.451 4.134 20 30 EIEDMO N#Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn2ccccc12 ZINC000554835231 1041446873 /nfs/dbraw/zinc/44/68/73/1041446873.db2.gz PUYYFHVMOWUOJU-KRWDZBQOSA-N 1 1 347.384 4.365 20 30 EIEDMO N#Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn2ccccc12 ZINC000554835231 1041446880 /nfs/dbraw/zinc/44/68/80/1041446880.db2.gz PUYYFHVMOWUOJU-KRWDZBQOSA-N 1 1 347.384 4.365 20 30 EIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000538751761 1041529217 /nfs/dbraw/zinc/52/92/17/1041529217.db2.gz LYHDWGVWTNYDIM-FQEVSTJZSA-N 1 1 337.463 4.290 20 30 EIEDMO CC(C)CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000325692027 1041533378 /nfs/dbraw/zinc/53/33/78/1041533378.db2.gz NRJLHOYMDPVFIO-UHFFFAOYSA-N 1 1 327.472 4.178 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000538794853 1041538193 /nfs/dbraw/zinc/53/81/93/1041538193.db2.gz WRAVZKRPYYTXFW-IRXDYDNUSA-N 1 1 335.875 4.153 20 30 EIEDMO CCOc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1OC ZINC000538823838 1041557090 /nfs/dbraw/zinc/55/70/90/1041557090.db2.gz HTRCLBCRCRGNTK-UHFFFAOYSA-N 1 1 348.446 4.255 20 30 EIEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957150 1041590314 /nfs/dbraw/zinc/59/03/14/1041590314.db2.gz OXGMZCUZKRQOQO-KBPBESRZSA-N 1 1 345.512 4.090 20 30 EIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)cc1OC ZINC000540663777 1041593077 /nfs/dbraw/zinc/59/30/77/1041593077.db2.gz CLUXLFVVAYAKJG-SFHVURJKSA-N 1 1 344.499 4.431 20 30 EIEDMO CC(C)(C#N)CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000540687801 1041598543 /nfs/dbraw/zinc/59/85/43/1041598543.db2.gz NISNDGBNUHGWJS-UHFFFAOYSA-N 1 1 339.252 4.492 20 30 EIEDMO CC(C)(C#N)CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000540687801 1041598547 /nfs/dbraw/zinc/59/85/47/1041598547.db2.gz NISNDGBNUHGWJS-UHFFFAOYSA-N 1 1 339.252 4.492 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccccc1F ZINC000506022476 1041745299 /nfs/dbraw/zinc/74/52/99/1041745299.db2.gz UREKIZUBKPRYKH-UHFFFAOYSA-N 1 1 327.428 4.466 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000516900108 1041806678 /nfs/dbraw/zinc/80/66/78/1041806678.db2.gz XWCXCKAFQJTVES-LAUBAEHRSA-N 1 1 347.462 4.012 20 30 EIEDMO C[C@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000506052291 1041807930 /nfs/dbraw/zinc/80/79/30/1041807930.db2.gz SLRMANFJYZVMKO-GFCCVEGCSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@H](C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000517108796 1041873055 /nfs/dbraw/zinc/87/30/55/1041873055.db2.gz YNZSVMZILPFDTC-CVEARBPZSA-N 1 1 342.870 4.198 20 30 EIEDMO COCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Cl ZINC000541348364 1041898275 /nfs/dbraw/zinc/89/82/75/1041898275.db2.gz BVKZXPRRPIVWSN-UHFFFAOYSA-N 1 1 346.833 4.194 20 30 EIEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Cl ZINC000541348364 1041898277 /nfs/dbraw/zinc/89/82/77/1041898277.db2.gz BVKZXPRRPIVWSN-UHFFFAOYSA-N 1 1 346.833 4.194 20 30 EIEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000541348531 1041899466 /nfs/dbraw/zinc/89/94/66/1041899466.db2.gz QIBVSGZNJZAJIH-RBUKOAKNSA-N 1 1 342.483 4.270 20 30 EIEDMO Cc1cccc(OCC[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000506153492 1041944641 /nfs/dbraw/zinc/94/46/41/1041944641.db2.gz PVJQXYKHLXLWPB-UHFFFAOYSA-N 1 1 338.451 4.188 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000517572651 1042078574 /nfs/dbraw/zinc/07/85/74/1042078574.db2.gz PKDRIACSQZFUQL-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000517572651 1042078582 /nfs/dbraw/zinc/07/85/82/1042078582.db2.gz PKDRIACSQZFUQL-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771317 1042149723 /nfs/dbraw/zinc/14/97/23/1042149723.db2.gz DDNZJWAAPDJTLZ-OAQYLSRUSA-N 1 1 341.499 4.062 20 30 EIEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000506230494 1042176879 /nfs/dbraw/zinc/17/68/79/1042176879.db2.gz CJEDXKZKVRGEMG-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000506230494 1042176885 /nfs/dbraw/zinc/17/68/85/1042176885.db2.gz CJEDXKZKVRGEMG-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541947944 1042191764 /nfs/dbraw/zinc/19/17/64/1042191764.db2.gz CKXQSSQCWBTSGN-UHFFFAOYSA-N 1 1 341.499 4.498 20 30 EIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000383073382 1042216229 /nfs/dbraw/zinc/21/62/29/1042216229.db2.gz QPXHDFSTEBJVSD-KRWDZBQOSA-N 1 1 339.870 4.170 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000542211916 1042339008 /nfs/dbraw/zinc/33/90/08/1042339008.db2.gz XMNZCLVFWUELKZ-QGZVFWFLSA-N 1 1 326.827 4.059 20 30 EIEDMO C=CCc1cc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558491 1042379082 /nfs/dbraw/zinc/37/90/82/1042379082.db2.gz PQOKUPSPVRAYEK-OAHLLOKOSA-N 1 1 341.451 4.418 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000518603000 1042590375 /nfs/dbraw/zinc/59/03/75/1042590375.db2.gz AZMJULPWYWGLTJ-OAQYLSRUSA-N 1 1 336.479 4.401 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271966233 1042591489 /nfs/dbraw/zinc/59/14/89/1042591489.db2.gz SMOPDGQOVTWMOK-UONOGXRCSA-N 1 1 336.414 4.479 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000174835352 1042715604 /nfs/dbraw/zinc/71/56/04/1042715604.db2.gz WIHCDQPZEUFMFO-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000443984432 1042728900 /nfs/dbraw/zinc/72/89/00/1042728900.db2.gz XOXBNVWPYJAEKL-SFHVURJKSA-N 1 1 347.506 4.388 20 30 EIEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035667 1042798489 /nfs/dbraw/zinc/79/84/89/1042798489.db2.gz BGYWEIIXGIGEEJ-KRWDZBQOSA-N 1 1 329.488 4.061 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985575 1042838946 /nfs/dbraw/zinc/83/89/46/1042838946.db2.gz XFZPTLQBVRVUMU-BHIYHBOVSA-N 1 1 332.875 4.117 20 30 EIEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852044 1042852555 /nfs/dbraw/zinc/85/25/55/1042852555.db2.gz BQOBZOZFKZJPKZ-HOTGVXAUSA-N 1 1 347.528 4.245 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399098 1043045099 /nfs/dbraw/zinc/04/50/99/1043045099.db2.gz QZBADZFDRQVDQD-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399098 1043045106 /nfs/dbraw/zinc/04/51/06/1043045106.db2.gz QZBADZFDRQVDQD-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000076737478 1043142163 /nfs/dbraw/zinc/14/21/63/1043142163.db2.gz LLYVAGPBACAOLS-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772513 1043194855 /nfs/dbraw/zinc/19/48/55/1043194855.db2.gz VJNAABVSXBYDPI-COPCDDAFSA-N 1 1 348.490 4.126 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c(F)c1 ZINC000132898786 1043204339 /nfs/dbraw/zinc/20/43/39/1043204339.db2.gz DPJVJZRKGFSYHV-INIZCTEOSA-N 1 1 349.331 4.278 20 30 EIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000323087209 1043289182 /nfs/dbraw/zinc/28/91/82/1043289182.db2.gz IMLFKVYHSDWTDY-AWEZNQCLSA-N 1 1 328.843 4.283 20 30 EIEDMO C=CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000625700023 1043358731 /nfs/dbraw/zinc/35/87/31/1043358731.db2.gz GYYHQMLSNIGSSU-HNNXBMFYSA-N 1 1 344.480 4.129 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000625700023 1043358746 /nfs/dbraw/zinc/35/87/46/1043358746.db2.gz GYYHQMLSNIGSSU-HNNXBMFYSA-N 1 1 344.480 4.129 20 30 EIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000494234246 1043376678 /nfs/dbraw/zinc/37/66/78/1043376678.db2.gz OFQWSSFTPCTDLB-FOWTUZBSSA-N 1 1 344.418 4.144 20 30 EIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000494234246 1043376688 /nfs/dbraw/zinc/37/66/88/1043376688.db2.gz OFQWSSFTPCTDLB-FOWTUZBSSA-N 1 1 344.418 4.144 20 30 EIEDMO N#Cc1cccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000171146918 1043460940 /nfs/dbraw/zinc/46/09/40/1043460940.db2.gz ZPQYNCMYGSDVNG-UHFFFAOYSA-N 1 1 327.431 4.198 20 30 EIEDMO Cc1nccn1-c1ccc(C(C)N=Nc2ccc(Cl)nc2)cc1 ZINC000751530527 1043507897 /nfs/dbraw/zinc/50/78/97/1043507897.db2.gz YLZPJGMXUWCOQA-UHFFFAOYSA-N 1 1 325.803 4.065 20 30 EIEDMO CC(=NNc1ccc(Cl)nc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751530527 1043507911 /nfs/dbraw/zinc/50/79/11/1043507911.db2.gz YLZPJGMXUWCOQA-UHFFFAOYSA-N 1 1 325.803 4.065 20 30 EIEDMO COc1ccc(OC)c([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC000674249318 1043511689 /nfs/dbraw/zinc/51/16/89/1043511689.db2.gz OKWUFLJRLVNGRZ-AWEZNQCLSA-N 1 1 329.827 4.060 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000171630482 1043633766 /nfs/dbraw/zinc/63/37/66/1043633766.db2.gz WQHLHSIJKZXXEV-FQEVSTJZSA-N 1 1 342.446 4.328 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000171630482 1043633783 /nfs/dbraw/zinc/63/37/83/1043633783.db2.gz WQHLHSIJKZXXEV-FQEVSTJZSA-N 1 1 342.446 4.328 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000171630482 1043633802 /nfs/dbraw/zinc/63/38/02/1043633802.db2.gz WQHLHSIJKZXXEV-FQEVSTJZSA-N 1 1 342.446 4.328 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000171659602 1043643750 /nfs/dbraw/zinc/64/37/50/1043643750.db2.gz BSVMPESTTYHFBS-UHFFFAOYSA-N 1 1 330.435 4.013 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CCO)c1ccccc1 ZINC000521321824 1043709603 /nfs/dbraw/zinc/70/96/03/1043709603.db2.gz JPSCYTYXLVOENT-GOSISDBHSA-N 1 1 348.368 4.133 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000521323336 1043711107 /nfs/dbraw/zinc/71/11/07/1043711107.db2.gz MYDSWEVQOWUYGV-PZJWPPBQSA-N 1 1 328.500 4.007 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+](CC)CCC ZINC000191462512 1043818962 /nfs/dbraw/zinc/81/89/62/1043818962.db2.gz SIVVSXUYURKELL-UHFFFAOYSA-N 1 1 331.504 4.392 20 30 EIEDMO C[N@H+](Cc1csc(Br)c1)Cc1ccc(C#N)c(F)c1 ZINC000191961310 1043859030 /nfs/dbraw/zinc/85/90/30/1043859030.db2.gz FPRKRHUSXKKXAI-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(C#N)c(F)c1 ZINC000191961310 1043859032 /nfs/dbraw/zinc/85/90/32/1043859032.db2.gz FPRKRHUSXKKXAI-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1C#N ZINC000442884409 1043883516 /nfs/dbraw/zinc/88/35/16/1043883516.db2.gz KHHUCQUBKLAFNS-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1C#N ZINC000442884409 1043883520 /nfs/dbraw/zinc/88/35/20/1043883520.db2.gz KHHUCQUBKLAFNS-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCc3sccc3[C@H]2C)c(O)c(OC)c1 ZINC000732526587 1043945869 /nfs/dbraw/zinc/94/58/69/1043945869.db2.gz IUESIIYWUMDGTD-CYBMUJFWSA-N 1 1 329.465 4.310 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543139990 1043957404 /nfs/dbraw/zinc/95/74/04/1043957404.db2.gz HFADVWJKUWMFQL-FQEVSTJZSA-N 1 1 336.435 4.107 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000766094008 1044065220 /nfs/dbraw/zinc/06/52/20/1044065220.db2.gz MAULTIMZIPBXDB-OAHLLOKOSA-N 1 1 333.863 4.446 20 30 EIEDMO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(C#N)o3)ccn2)cc1 ZINC000174282578 1044247822 /nfs/dbraw/zinc/24/78/22/1044247822.db2.gz UTXGHEVSNNZMHT-UHFFFAOYSA-N 1 1 349.390 4.027 20 30 EIEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(OC(F)F)cc1C ZINC000174359699 1044264905 /nfs/dbraw/zinc/26/49/05/1044264905.db2.gz XZPPNGDNUHLMDC-UHFFFAOYSA-N 1 1 334.341 4.205 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298901 /nfs/dbraw/zinc/29/89/01/1044298901.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 1 1 325.500 4.206 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741989 1044344894 /nfs/dbraw/zinc/34/48/94/1044344894.db2.gz DOWYBPNIQPYIMV-OAHLLOKOSA-N 1 1 332.407 4.191 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741989 1044344908 /nfs/dbraw/zinc/34/49/08/1044344908.db2.gz DOWYBPNIQPYIMV-OAHLLOKOSA-N 1 1 332.407 4.191 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000246757551 1044358957 /nfs/dbraw/zinc/35/89/57/1044358957.db2.gz NNERYMQZMGLDMQ-HLIPFELVSA-N 1 1 347.462 4.011 20 30 EIEDMO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000466397952 1044386332 /nfs/dbraw/zinc/38/63/32/1044386332.db2.gz HBXVAWMNTDAONK-LJQANCHMSA-N 1 1 337.552 4.131 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000466402857 1044395837 /nfs/dbraw/zinc/39/58/37/1044395837.db2.gz AIRAXDBVKFQMMN-MJGOQNOKSA-N 1 1 335.536 4.027 20 30 EIEDMO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096760 1044473373 /nfs/dbraw/zinc/47/33/73/1044473373.db2.gz RGVXVHPGNXWPQN-BTVXTAIASA-N 1 1 345.446 4.024 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543395000 1044503733 /nfs/dbraw/zinc/50/37/33/1044503733.db2.gz TUGUAEORTHCEDI-VQTJNVASSA-N 1 1 348.475 4.206 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000734159477 1044506533 /nfs/dbraw/zinc/50/65/33/1044506533.db2.gz OYWSLVODKBUMCE-UHFFFAOYSA-N 1 1 337.391 4.037 20 30 EIEDMO C=CC[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494999214 1044587155 /nfs/dbraw/zinc/58/71/55/1044587155.db2.gz NYORBSFSGOPFTL-SVFBPWRDSA-N 1 1 342.527 4.221 20 30 EIEDMO C[NH+](C)Cc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000914701576 1044677409 /nfs/dbraw/zinc/67/74/09/1044677409.db2.gz LWRQZJIEIWDWJD-KEBDBYFISA-N 1 1 337.250 4.380 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Oc2cnccn2)cc1 ZINC000495110054 1044687883 /nfs/dbraw/zinc/68/78/83/1044687883.db2.gz RNMMRVASNPTASI-UHFFFAOYSA-N 1 1 335.407 4.093 20 30 EIEDMO CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000153986439 1044714757 /nfs/dbraw/zinc/71/47/57/1044714757.db2.gz FABSQOPPMAWVQZ-AWEZNQCLSA-N 1 1 341.842 4.061 20 30 EIEDMO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000153986439 1044714768 /nfs/dbraw/zinc/71/47/68/1044714768.db2.gz FABSQOPPMAWVQZ-AWEZNQCLSA-N 1 1 341.842 4.061 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000495184176 1044762654 /nfs/dbraw/zinc/76/26/54/1044762654.db2.gz NNEDKYMLKJFKCR-UHFFFAOYSA-N 1 1 335.831 4.181 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000735309088 1044787867 /nfs/dbraw/zinc/78/78/67/1044787867.db2.gz FPKKSFBDWUYYRX-AWEZNQCLSA-N 1 1 344.817 4.371 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309228 1044796887 /nfs/dbraw/zinc/79/68/87/1044796887.db2.gz JPKHIPBKDHMIBO-CYBMUJFWSA-N 1 1 330.815 4.141 20 30 EIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309228 1044796893 /nfs/dbraw/zinc/79/68/93/1044796893.db2.gz JPKHIPBKDHMIBO-CYBMUJFWSA-N 1 1 330.815 4.141 20 30 EIEDMO C[C@H](C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000735309610 1044799253 /nfs/dbraw/zinc/79/92/53/1044799253.db2.gz QCGLNBGPUXQEGV-OAHLLOKOSA-N 1 1 328.843 4.478 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735309464 1044800038 /nfs/dbraw/zinc/80/00/38/1044800038.db2.gz FFWYTCFWNSBHMZ-UHFFFAOYSA-N 1 1 334.872 4.368 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)o1 ZINC000093818171 1044856337 /nfs/dbraw/zinc/85/63/37/1044856337.db2.gz GBIQPNKTEQLDPZ-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673788 1044857498 /nfs/dbraw/zinc/85/74/98/1044857498.db2.gz HBPOIQSYBYINES-JXFKEZNVSA-N 1 1 338.476 4.268 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000895718526 1044863463 /nfs/dbraw/zinc/86/34/63/1044863463.db2.gz XCLZINZOEWCWGO-PXNSSMCTSA-N 1 1 342.483 4.006 20 30 EIEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCCC2(C#N)CCC2)c(C)c1 ZINC000929344407 1044867399 /nfs/dbraw/zinc/86/73/99/1044867399.db2.gz RSOPUIGBDAGDHJ-UHFFFAOYSA-N 1 1 341.499 4.346 20 30 EIEDMO CCCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1O ZINC000282388311 1044985088 /nfs/dbraw/zinc/98/50/88/1044985088.db2.gz GQMIUXKEOMCSCE-UHFFFAOYSA-N 1 1 330.472 4.095 20 30 EIEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000915051289 1045010986 /nfs/dbraw/zinc/01/09/86/1045010986.db2.gz CHLARYHXKJRQJF-UHFFFAOYSA-N 1 1 341.430 4.061 20 30 EIEDMO Cc1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)ccc1C#N ZINC000487917262 1045153675 /nfs/dbraw/zinc/15/36/75/1045153675.db2.gz QVHWCDFEJAAZJU-UHFFFAOYSA-N 1 1 334.463 4.296 20 30 EIEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739912402 1045174306 /nfs/dbraw/zinc/17/43/06/1045174306.db2.gz JSSXXIARYRYCPY-TZIWHRDSSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739912402 1045174307 /nfs/dbraw/zinc/17/43/07/1045174307.db2.gz JSSXXIARYRYCPY-TZIWHRDSSA-N 1 1 348.446 4.042 20 30 EIEDMO Cc1nc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)cs1 ZINC000740011062 1045180193 /nfs/dbraw/zinc/18/01/93/1045180193.db2.gz ILVXNKOEWLZWNP-UHFFFAOYSA-N 1 1 325.462 4.342 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000162030597 1045203842 /nfs/dbraw/zinc/20/38/42/1045203842.db2.gz YTLFBDMPUQLKSA-UHFFFAOYSA-N 1 1 326.268 4.145 20 30 EIEDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000491599088 1045258595 /nfs/dbraw/zinc/25/85/95/1045258595.db2.gz NUQNFYUETKKBGU-GFCCVEGCSA-N 1 1 344.256 4.129 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000611235859 1045263239 /nfs/dbraw/zinc/26/32/39/1045263239.db2.gz DKGKAIQEHORBQO-GOSISDBHSA-N 1 1 345.446 4.428 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611264021 1045269576 /nfs/dbraw/zinc/26/95/76/1045269576.db2.gz XZVGSHQLMYVXTN-PHIMTYICSA-N 1 1 330.316 4.379 20 30 EIEDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387762 1045295124 /nfs/dbraw/zinc/29/51/24/1045295124.db2.gz SKQJUCOELNAARW-CQSZACIVSA-N 1 1 339.395 4.104 20 30 EIEDMO C[C@@H](Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000611482717 1045318110 /nfs/dbraw/zinc/31/81/10/1045318110.db2.gz OWJGWOGXTKMOKT-IAGOWNOFSA-N 1 1 335.451 4.125 20 30 EIEDMO Cc1ccc(C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C2CC2)o1 ZINC000611518057 1045320645 /nfs/dbraw/zinc/32/06/45/1045320645.db2.gz FQNMVMPWQYPYPI-UHFFFAOYSA-N 1 1 346.434 4.025 20 30 EIEDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1c1ccccc1 ZINC000746488626 1045637797 /nfs/dbraw/zinc/63/77/97/1045637797.db2.gz GBNSASRCULMRDT-LIRRHRJNSA-N 1 1 326.827 4.435 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1c1ccccc1 ZINC000746488626 1045637809 /nfs/dbraw/zinc/63/78/09/1045637809.db2.gz GBNSASRCULMRDT-LIRRHRJNSA-N 1 1 326.827 4.435 20 30 EIEDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2cccc(C#N)c2)cc1 ZINC000768272073 1045772008 /nfs/dbraw/zinc/77/20/08/1045772008.db2.gz LKDSJULLSRZWBH-UHFFFAOYSA-N 1 1 345.446 4.420 20 30 EIEDMO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccc(C#N)c2)cc1 ZINC000768272073 1045772036 /nfs/dbraw/zinc/77/20/36/1045772036.db2.gz LKDSJULLSRZWBH-UHFFFAOYSA-N 1 1 345.446 4.420 20 30 EIEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N=Nc2nc4ccccc4[nH]2)C3)cc1 ZINC000768351433 1045795723 /nfs/dbraw/zinc/79/57/23/1045795723.db2.gz GYOHRCQCXFPZJI-HDICACEKSA-N 1 1 345.450 4.158 20 30 EIEDMO COCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1ccccc1 ZINC000768597276 1045825036 /nfs/dbraw/zinc/82/50/36/1045825036.db2.gz QVIZQVDDOLOCRO-ZWKOTPCHSA-N 1 1 338.451 4.187 20 30 EIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496350395 1045912986 /nfs/dbraw/zinc/91/29/86/1045912986.db2.gz WIZUBKGQVPBMKQ-DLBZAZTESA-N 1 1 349.519 4.086 20 30 EIEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614925355 1045946893 /nfs/dbraw/zinc/94/68/93/1045946893.db2.gz ZLAPDFFKCDLGNG-KRWDZBQOSA-N 1 1 340.389 4.031 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000769501702 1045997649 /nfs/dbraw/zinc/99/76/49/1045997649.db2.gz NLRDXWQXCHFTGS-UHFFFAOYSA-N 1 1 343.540 4.288 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1 ZINC000769499992 1045997855 /nfs/dbraw/zinc/99/78/55/1045997855.db2.gz ULYFJMYFIMTZGW-OPYAIIAOSA-N 1 1 334.463 4.431 20 30 EIEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395152 1046027678 /nfs/dbraw/zinc/02/76/78/1046027678.db2.gz HQPNOKLCASSFBI-AFJQURTJSA-N 1 1 342.483 4.053 20 30 EIEDMO CCCC[N@@H+](CC(=O)OCC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395449 1046027884 /nfs/dbraw/zinc/02/78/84/1046027884.db2.gz KYOIYISSSXPXDO-UHFFFAOYSA-N 1 1 342.483 4.056 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001170398383 1046030623 /nfs/dbraw/zinc/03/06/23/1046030623.db2.gz PMUZPYVFWMXRBM-UHFFFAOYSA-N 1 1 338.495 4.424 20 30 EIEDMO CCCCCCCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000916455062 1046036650 /nfs/dbraw/zinc/03/66/50/1046036650.db2.gz YVYMFZMQMNDJBB-UHFFFAOYSA-N 1 1 331.504 4.128 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCCC1(C)C ZINC000769954067 1046110761 /nfs/dbraw/zinc/11/07/61/1046110761.db2.gz RAWKUJOZESTDJA-HXUWFJFHSA-N 1 1 340.511 4.489 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423864 1046117536 /nfs/dbraw/zinc/11/75/36/1046117536.db2.gz JQJQXJSPDAUUAC-BEFAXECRSA-N 1 1 335.407 4.407 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000763398963 1046127877 /nfs/dbraw/zinc/12/78/77/1046127877.db2.gz XOYRVFRHIVBMBN-JOCHJYFZSA-N 1 1 334.463 4.427 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000763409962 1046135641 /nfs/dbraw/zinc/13/56/41/1046135641.db2.gz VVSWEEOSRYFQFY-QFIPXVFZSA-N 1 1 334.463 4.079 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000763409957 1046135822 /nfs/dbraw/zinc/13/58/22/1046135822.db2.gz VVSWEEOSRYFQFY-JOCHJYFZSA-N 1 1 334.463 4.079 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000763413842 1046144251 /nfs/dbraw/zinc/14/42/51/1046144251.db2.gz OTPZPKZGACCJEU-FGZHOGPDSA-N 1 1 334.463 4.436 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000770326380 1046181964 /nfs/dbraw/zinc/18/19/64/1046181964.db2.gz OYLCSWGZQFTMGO-UONOGXRCSA-N 1 1 342.389 4.375 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000770326380 1046181971 /nfs/dbraw/zinc/18/19/71/1046181971.db2.gz OYLCSWGZQFTMGO-UONOGXRCSA-N 1 1 342.389 4.375 20 30 EIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770353428 1046190636 /nfs/dbraw/zinc/19/06/36/1046190636.db2.gz SHHMRCKNVAYSPF-ZYSHUDEJSA-N 1 1 330.472 4.003 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000152530786 1046287248 /nfs/dbraw/zinc/28/72/48/1046287248.db2.gz WRQOXTJDCULVQS-MRXNPFEDSA-N 1 1 329.444 4.226 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000793609834 1046309659 /nfs/dbraw/zinc/30/96/59/1046309659.db2.gz CPUKKFIJCNYIKF-JKSUJKDBSA-N 1 1 326.267 4.267 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282068259 1046314816 /nfs/dbraw/zinc/31/48/16/1046314816.db2.gz SSMJQWVIVVPUBE-SJLPKXTDSA-N 1 1 330.447 4.104 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000794399954 1046410971 /nfs/dbraw/zinc/41/09/71/1046410971.db2.gz SQSZGDKENIFWIX-APWZRJJASA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000794399954 1046410982 /nfs/dbraw/zinc/41/09/82/1046410982.db2.gz SQSZGDKENIFWIX-APWZRJJASA-N 1 1 342.414 4.159 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771579400 1046448502 /nfs/dbraw/zinc/44/85/02/1046448502.db2.gz XCFIMKRLEGUCKB-IBGZPJMESA-N 1 1 331.843 4.070 20 30 EIEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccc(Br)cc2)n1 ZINC001170452228 1046521357 /nfs/dbraw/zinc/52/13/57/1046521357.db2.gz SUUIFJUGDMKZEI-INIZCTEOSA-N 1 1 349.297 4.464 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988147 1046527408 /nfs/dbraw/zinc/52/74/08/1046527408.db2.gz AZMCKSKYYPLFJN-INIZCTEOSA-N 1 1 341.398 4.489 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000771935144 1046528312 /nfs/dbraw/zinc/52/83/12/1046528312.db2.gz KKYPKAGJKHIXES-UHFFFAOYSA-N 1 1 349.478 4.189 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2cscc2Cl)cc(OC)c1OC ZINC000771945423 1046531000 /nfs/dbraw/zinc/53/10/00/1046531000.db2.gz JSYXPQIRJAWBLQ-UHFFFAOYSA-N 1 1 337.872 4.437 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+](Cc3cccc(F)c3)C3CCCC3)n2c1 ZINC000508764851 1046543698 /nfs/dbraw/zinc/54/36/98/1046543698.db2.gz OIHUOVZHCYHEGF-UHFFFAOYSA-N 1 1 348.425 4.290 20 30 EIEDMO Cn1cccc1C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536661607 1046626232 /nfs/dbraw/zinc/62/62/32/1046626232.db2.gz WQOWHFXOWHJAAV-UHFFFAOYSA-N 1 1 345.446 4.108 20 30 EIEDMO C=CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C ZINC000917070798 1046649455 /nfs/dbraw/zinc/64/94/55/1046649455.db2.gz FOZGBMCJQJRJRE-UHFFFAOYSA-N 1 1 325.334 4.152 20 30 EIEDMO C=CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C ZINC000917070798 1046649470 /nfs/dbraw/zinc/64/94/70/1046649470.db2.gz FOZGBMCJQJRJRE-UHFFFAOYSA-N 1 1 325.334 4.152 20 30 EIEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694921 1046692428 /nfs/dbraw/zinc/69/24/28/1046692428.db2.gz CWVOCFAQXFCKEB-FQEVSTJZSA-N 1 1 330.435 4.160 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588718 1046787886 /nfs/dbraw/zinc/78/78/86/1046787886.db2.gz HSYZOJSVYVPYEX-WMLDXEAASA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588718 1046787926 /nfs/dbraw/zinc/78/79/26/1046787926.db2.gz HSYZOJSVYVPYEX-WMLDXEAASA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588718 1046787946 /nfs/dbraw/zinc/78/79/46/1046787946.db2.gz HSYZOJSVYVPYEX-WMLDXEAASA-N 1 1 333.863 4.070 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1OC ZINC000459658680 1046842594 /nfs/dbraw/zinc/84/25/94/1046842594.db2.gz YQQQQZVNUPTUBU-ZDUSSCGKSA-N 1 1 344.480 4.056 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000497596709 1046870226 /nfs/dbraw/zinc/87/02/26/1046870226.db2.gz JGSZFHYEQFPIES-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000497596709 1046870230 /nfs/dbraw/zinc/87/02/30/1046870230.db2.gz JGSZFHYEQFPIES-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000497612048 1046891847 /nfs/dbraw/zinc/89/18/47/1046891847.db2.gz QAAUJMVNHOIXLG-AWEZNQCLSA-N 1 1 343.833 4.234 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000497617475 1046894643 /nfs/dbraw/zinc/89/46/43/1046894643.db2.gz DXIRWIPXHNQDCP-QGZVFWFLSA-N 1 1 349.459 4.384 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000497617475 1046894650 /nfs/dbraw/zinc/89/46/50/1046894650.db2.gz DXIRWIPXHNQDCP-QGZVFWFLSA-N 1 1 349.459 4.384 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000537045673 1046912900 /nfs/dbraw/zinc/91/29/00/1046912900.db2.gz WTMNCHALHMPQEZ-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746679926 1047005838 /nfs/dbraw/zinc/00/58/38/1047005838.db2.gz RNEZFVXAVCDGMK-GOSISDBHSA-N 1 1 343.858 4.308 20 30 EIEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746679926 1047005823 /nfs/dbraw/zinc/00/58/23/1047005823.db2.gz RNEZFVXAVCDGMK-GOSISDBHSA-N 1 1 343.858 4.308 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203667 1047037751 /nfs/dbraw/zinc/03/77/51/1047037751.db2.gz JZGJPHGRZCABPU-AVRDEDQJSA-N 1 1 349.478 4.302 20 30 EIEDMO CC[C@H]1CC([N@@H+](CC)CCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491621 1047052890 /nfs/dbraw/zinc/05/28/90/1047052890.db2.gz KPSABPPWYJNLNS-HOTGVXAUSA-N 1 1 337.508 4.179 20 30 EIEDMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495479 1047084554 /nfs/dbraw/zinc/08/45/54/1047084554.db2.gz AACFTRANGHSPJW-AXVVYFOYSA-N 1 1 349.519 4.179 20 30 EIEDMO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537407932 1047200124 /nfs/dbraw/zinc/20/01/24/1047200124.db2.gz YAVNEACBHJSDLU-JKSUJKDBSA-N 1 1 339.458 4.477 20 30 EIEDMO C#CC[C@@H]([NH2+][C@H](C)c1nc(Br)ccc1F)c1ccccc1 ZINC000788685434 1047260836 /nfs/dbraw/zinc/26/08/36/1047260836.db2.gz IYZAARXKHJQQDT-IUODEOHRSA-N 1 1 347.231 4.398 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000666865926 1047267411 /nfs/dbraw/zinc/26/74/11/1047267411.db2.gz CIWWPMQBOLGZIB-KRWDZBQOSA-N 1 1 329.488 4.096 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000788751767 1047284593 /nfs/dbraw/zinc/28/45/93/1047284593.db2.gz AONLAYRFPZGHIO-BBATYDOGSA-N 1 1 347.365 4.423 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992618 1047566435 /nfs/dbraw/zinc/56/64/35/1047566435.db2.gz HYCPBFFAEVFKPQ-MRXNPFEDSA-N 1 1 349.482 4.054 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000556485828 1047790279 /nfs/dbraw/zinc/79/02/79/1047790279.db2.gz PEOANRIXQHKJHU-QFIPXVFZSA-N 1 1 340.511 4.103 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000155016424 1047876672 /nfs/dbraw/zinc/87/66/72/1047876672.db2.gz SSPMXECETMIVQS-AWEZNQCLSA-N 1 1 338.432 4.266 20 30 EIEDMO N#Cc1ccc(OCCC[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000195069620 1048044394 /nfs/dbraw/zinc/04/43/94/1048044394.db2.gz MHXAPFOVHFUEEG-LJQANCHMSA-N 1 1 349.459 4.163 20 30 EIEDMO CC(C)n1ncc2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cnc21 ZINC000195117263 1048095587 /nfs/dbraw/zinc/09/55/87/1048095587.db2.gz GCRXDJXNZRZHDP-UHFFFAOYSA-N 1 1 345.450 4.048 20 30 EIEDMO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000556884382 1048099154 /nfs/dbraw/zinc/09/91/54/1048099154.db2.gz CAIMAIVIPKIVBM-VJBWXMMDSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000556884382 1048099168 /nfs/dbraw/zinc/09/91/68/1048099168.db2.gz CAIMAIVIPKIVBM-VJBWXMMDSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000556884382 1048099185 /nfs/dbraw/zinc/09/91/85/1048099185.db2.gz CAIMAIVIPKIVBM-VJBWXMMDSA-N 1 1 345.490 4.188 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000499047864 1048100525 /nfs/dbraw/zinc/10/05/25/1048100525.db2.gz KANDGZSPFGZBSU-KRWDZBQOSA-N 1 1 342.508 4.173 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000499047864 1048100532 /nfs/dbraw/zinc/10/05/32/1048100532.db2.gz KANDGZSPFGZBSU-KRWDZBQOSA-N 1 1 342.508 4.173 20 30 EIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143361962 1048115994 /nfs/dbraw/zinc/11/59/94/1048115994.db2.gz GAWJLUIFPCNORA-LLVKDONJSA-N 1 1 332.753 4.364 20 30 EIEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143361962 1048116000 /nfs/dbraw/zinc/11/60/00/1048116000.db2.gz GAWJLUIFPCNORA-LLVKDONJSA-N 1 1 332.753 4.364 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)cc1 ZINC001143731263 1048176708 /nfs/dbraw/zinc/17/67/08/1048176708.db2.gz QHRZYUPRURWCMN-INIZCTEOSA-N 1 1 326.827 4.210 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143768036 1048186751 /nfs/dbraw/zinc/18/67/51/1048186751.db2.gz VLMWAWXUQQEDSZ-GOSISDBHSA-N 1 1 342.389 4.188 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143768036 1048186760 /nfs/dbraw/zinc/18/67/60/1048186760.db2.gz VLMWAWXUQQEDSZ-GOSISDBHSA-N 1 1 342.389 4.188 20 30 EIEDMO Cc1c(F)cc(F)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143757585 1048191251 /nfs/dbraw/zinc/19/12/51/1048191251.db2.gz FPWFIXRNTMGQPX-UHFFFAOYSA-N 1 1 326.390 4.331 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001143781746 1048199619 /nfs/dbraw/zinc/19/96/19/1048199619.db2.gz XXGXMFNRTPLLNM-UHFFFAOYSA-N 1 1 345.258 4.499 20 30 EIEDMO C[C@H]1C(N=Nc2cnnc3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000814849366 1048206202 /nfs/dbraw/zinc/20/62/02/1048206202.db2.gz RTJRZCKIIRWFDD-INIZCTEOSA-N 1 1 345.450 4.082 20 30 EIEDMO C[C@@H]1C(N=Nc2nccnc2C2CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000814931695 1048244560 /nfs/dbraw/zinc/24/45/60/1048244560.db2.gz AVMABFJJCKETOT-MRXNPFEDSA-N 1 1 349.482 4.197 20 30 EIEDMO CC(=[NH+]Nc1c(C)cccc1C(C)C)c1cc([N+](=O)[O-])ccc1N ZINC000814934784 1048246637 /nfs/dbraw/zinc/24/66/37/1048246637.db2.gz HDMPCRJWUSGODI-UHFFFAOYSA-N 1 1 326.400 4.445 20 30 EIEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000844359030 1048302829 /nfs/dbraw/zinc/30/28/29/1048302829.db2.gz IMZGRENIRCEAPE-INIZCTEOSA-N 1 1 326.465 4.202 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC2CCC(C#N)CC2)cc1 ZINC000805930584 1048302933 /nfs/dbraw/zinc/30/29/33/1048302933.db2.gz TYANCSBWUPNOKF-UHFFFAOYSA-N 1 1 342.483 4.405 20 30 EIEDMO C[C@@H](CCSc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366249 1048305924 /nfs/dbraw/zinc/30/59/24/1048305924.db2.gz LQLNECKFKJNBKB-JXFKEZNVSA-N 1 1 340.492 4.094 20 30 EIEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000844421900 1048321696 /nfs/dbraw/zinc/32/16/96/1048321696.db2.gz YOZQLILBXVCWNM-IBGZPJMESA-N 1 1 334.419 4.087 20 30 EIEDMO N#CC(CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)(c1ccccc1)c1ccccc1 ZINC000844458891 1048349277 /nfs/dbraw/zinc/34/92/77/1048349277.db2.gz PMVFSTMOUVKXHJ-KDURUIRLSA-N 1 1 338.401 4.083 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Oc1ccccc1 ZINC001144163601 1048457667 /nfs/dbraw/zinc/45/76/67/1048457667.db2.gz MBCQEPGRJPUCFG-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Oc1ccccc1 ZINC001144163601 1048457677 /nfs/dbraw/zinc/45/76/77/1048457677.db2.gz MBCQEPGRJPUCFG-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C#C[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)C(C)C ZINC000809685342 1048474383 /nfs/dbraw/zinc/47/43/83/1048474383.db2.gz OLZUAEVQIFMADW-INIZCTEOSA-N 1 1 334.872 4.123 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)nc1 ZINC001144163300 1048476172 /nfs/dbraw/zinc/47/61/72/1048476172.db2.gz ADHHTGDVLGUFNS-UHFFFAOYSA-N 1 1 327.431 4.198 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000809729766 1048480792 /nfs/dbraw/zinc/48/07/92/1048480792.db2.gz ZERNFNBDNJQTEH-SFHVURJKSA-N 1 1 326.827 4.084 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000809729766 1048480814 /nfs/dbraw/zinc/48/08/14/1048480814.db2.gz ZERNFNBDNJQTEH-SFHVURJKSA-N 1 1 326.827 4.084 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2cccc(OC)c2o1 ZINC000809702740 1048483492 /nfs/dbraw/zinc/48/34/92/1048483492.db2.gz XGMRSECATIBMJX-UHFFFAOYSA-N 1 1 341.407 4.105 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2cccc(OC)c2o1 ZINC000809702740 1048483502 /nfs/dbraw/zinc/48/35/02/1048483502.db2.gz XGMRSECATIBMJX-UHFFFAOYSA-N 1 1 341.407 4.105 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756956 1048489944 /nfs/dbraw/zinc/48/99/44/1048489944.db2.gz CVIMUCAMJJKAEB-INIZCTEOSA-N 1 1 335.423 4.003 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737995 1048511006 /nfs/dbraw/zinc/51/10/06/1048511006.db2.gz OVDJBNKLKDVHFX-UHFFFAOYSA-N 1 1 349.478 4.154 20 30 EIEDMO Cc1c(C#N)ccnc1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170586932 1048527022 /nfs/dbraw/zinc/52/70/22/1048527022.db2.gz YZQDJKRSQWUZJM-MRXNPFEDSA-N 1 1 349.265 4.283 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815593629 1048526868 /nfs/dbraw/zinc/52/68/68/1048526868.db2.gz SOLGTXWODJRQQV-CYBMUJFWSA-N 1 1 349.352 4.274 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2O)C1 ZINC000920173965 1048570892 /nfs/dbraw/zinc/57/08/92/1048570892.db2.gz HYDPHKARPWQBRI-LXQLMVKLSA-N 1 1 328.843 4.300 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001144580439 1048729858 /nfs/dbraw/zinc/72/98/58/1048729858.db2.gz CCGAULRIMILTJU-IBGZPJMESA-N 1 1 345.364 4.260 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001144580439 1048729869 /nfs/dbraw/zinc/72/98/69/1048729869.db2.gz CCGAULRIMILTJU-IBGZPJMESA-N 1 1 345.364 4.260 20 30 EIEDMO C#Cc1ccc(CN2CCC([N@@H+](CC)Cc3ccccc3)CC2)cc1 ZINC001144573435 1048732686 /nfs/dbraw/zinc/73/26/86/1048732686.db2.gz JQNLDPHJTAPKKH-UHFFFAOYSA-N 1 1 332.491 4.154 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC001144567493 1048732944 /nfs/dbraw/zinc/73/29/44/1048732944.db2.gz NUSHNMCLEADKAD-OAQYLSRUSA-N 1 1 346.474 4.278 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC001144567493 1048732958 /nfs/dbraw/zinc/73/29/58/1048732958.db2.gz NUSHNMCLEADKAD-OAQYLSRUSA-N 1 1 346.474 4.278 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1Br ZINC001171202355 1048762332 /nfs/dbraw/zinc/76/23/32/1048762332.db2.gz BUVPEXGBCWCZHP-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO CCOc1ccc(O)c(/C=N\C[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000920945136 1048818655 /nfs/dbraw/zinc/81/86/55/1048818655.db2.gz QQKCTMKBFMOUFL-UZQMFHLOSA-N 1 1 346.858 4.166 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001135643058 1048844173 /nfs/dbraw/zinc/84/41/73/1048844173.db2.gz PBYXJUYVNZUQSH-UHFFFAOYSA-N 1 1 336.479 4.086 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001171221290 1048856301 /nfs/dbraw/zinc/85/63/01/1048856301.db2.gz KBMGNSFHKBPBKB-UZLBHIALSA-N 1 1 337.492 4.141 20 30 EIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2C1 ZINC000076170945 1048865824 /nfs/dbraw/zinc/86/58/24/1048865824.db2.gz NQMFLLQGHLPLKX-UHFFFAOYSA-N 1 1 339.483 4.461 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1OC ZINC000076766541 1048941360 /nfs/dbraw/zinc/94/13/60/1048941360.db2.gz KLUNXSYXCQJPTC-UHFFFAOYSA-N 1 1 327.399 4.178 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)c1 ZINC000817589626 1049019011 /nfs/dbraw/zinc/01/90/11/1049019011.db2.gz OTWPWDCYHUIPKK-OAHLLOKOSA-N 1 1 347.281 4.128 20 30 EIEDMO Cc1ccc([C@H]2CSCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000282142976 1049041018 /nfs/dbraw/zinc/04/10/18/1049041018.db2.gz ZQURIQVGRYYZDX-LJQANCHMSA-N 1 1 344.524 4.186 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](c1ccccc1)C(F)(F)F ZINC001170883473 1049069121 /nfs/dbraw/zinc/06/91/21/1049069121.db2.gz UUHNNPCBLVCHSY-AWEZNQCLSA-N 1 1 332.329 4.333 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986675 1049081307 /nfs/dbraw/zinc/08/13/07/1049081307.db2.gz STCUQCIUYVGIKB-NVXWUHKLSA-N 1 1 334.891 4.143 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(CC=C)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000811517408 1049100755 /nfs/dbraw/zinc/10/07/55/1049100755.db2.gz RMANXQSGOJKMQR-GOSISDBHSA-N 1 1 341.838 4.247 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C3CCCC3)C2)cc1Cl ZINC001171332441 1049323050 /nfs/dbraw/zinc/32/30/50/1049323050.db2.gz PYAOXZIFSUYLOL-INIZCTEOSA-N 1 1 345.874 4.052 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)Cc1cccs1 ZINC000136274321 1049371666 /nfs/dbraw/zinc/37/16/66/1049371666.db2.gz SRXYTXYBLJVFOT-UHFFFAOYSA-N 1 1 344.480 4.164 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000609892842 1049385158 /nfs/dbraw/zinc/38/51/58/1049385158.db2.gz CKQJITLRXFZJID-QGZVFWFLSA-N 1 1 339.870 4.188 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000079393331 1049395825 /nfs/dbraw/zinc/39/58/25/1049395825.db2.gz DBMNLLPPOLMJPB-KRWDZBQOSA-N 1 1 349.544 4.100 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637473 1049400718 /nfs/dbraw/zinc/40/07/18/1049400718.db2.gz MFEVKXDWQZHKTH-OAQYLSRUSA-N 1 1 334.463 4.177 20 30 EIEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCOc1ccccc1C ZINC001171354129 1049509305 /nfs/dbraw/zinc/50/93/05/1049509305.db2.gz PVQOEEJZKLOOMQ-UHFFFAOYSA-N 1 1 327.855 4.401 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OCC)c1)c1ccc(F)cc1 ZINC000812793954 1049591236 /nfs/dbraw/zinc/59/12/36/1049591236.db2.gz LFUHKOLSXNKNQC-MRXNPFEDSA-N 1 1 349.352 4.290 20 30 EIEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853500 1049612492 /nfs/dbraw/zinc/61/24/92/1049612492.db2.gz RIHSHPGWXDIIBN-AUUYWEPGSA-N 1 1 328.843 4.156 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2CCC[C@@H]2C(=O)OCC)cc1 ZINC001170965656 1049643702 /nfs/dbraw/zinc/64/37/02/1049643702.db2.gz LDGMHFJQZMNTBR-UFYCRDLUSA-N 1 1 342.483 4.153 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715709 1049704462 /nfs/dbraw/zinc/70/44/62/1049704462.db2.gz XQUJAANLTBSXSE-BPCBYJRWSA-N 1 1 345.490 4.262 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715709 1049704473 /nfs/dbraw/zinc/70/44/73/1049704473.db2.gz XQUJAANLTBSXSE-BPCBYJRWSA-N 1 1 345.490 4.262 20 30 EIEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C(=O)OC(C)(C)C ZINC001171525130 1049749836 /nfs/dbraw/zinc/74/98/36/1049749836.db2.gz WVNWZSZEASJUEM-XJKSGUPXSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C(=O)OC(C)(C)C ZINC001171525130 1049749840 /nfs/dbraw/zinc/74/98/40/1049749840.db2.gz WVNWZSZEASJUEM-XJKSGUPXSA-N 1 1 348.874 4.011 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1 ZINC001171615493 1049766952 /nfs/dbraw/zinc/76/69/52/1049766952.db2.gz WTCDKXMODDDRCO-KZNAEPCWSA-N 1 1 348.531 4.146 20 30 EIEDMO CCCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ncsc2C1 ZINC001171724593 1049785708 /nfs/dbraw/zinc/78/57/08/1049785708.db2.gz WLDXCSSTYGKCBG-SFHVURJKSA-N 1 1 342.483 4.293 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2cccc3ccnn32)cc1 ZINC001170708290 1049790275 /nfs/dbraw/zinc/79/02/75/1049790275.db2.gz SVCJDYFOMBJIKV-NRFANRHFSA-N 1 1 332.451 4.269 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846435 1049812157 /nfs/dbraw/zinc/81/21/57/1049812157.db2.gz CEEFTPRTCUNBON-BBRMVZONSA-N 1 1 341.373 4.208 20 30 EIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846435 1049812159 /nfs/dbraw/zinc/81/21/59/1049812159.db2.gz CEEFTPRTCUNBON-BBRMVZONSA-N 1 1 341.373 4.208 20 30 EIEDMO CC[NH+](CC)Cc1c(Br)cccc1NCCCS ZINC001171003314 1049817413 /nfs/dbraw/zinc/81/74/13/1049817413.db2.gz UCVJSCLYWJKJPV-UHFFFAOYSA-N 1 1 331.323 4.023 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029090 1049824571 /nfs/dbraw/zinc/82/45/71/1049824571.db2.gz DTVMRWRAZGQDHB-INIZCTEOSA-N 1 1 331.419 4.014 20 30 EIEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172073567 1049843760 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CCCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172505292 1049924467 /nfs/dbraw/zinc/92/44/67/1049924467.db2.gz LNUHZEOLHKWPRV-RBUKOAKNSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172505292 1049924473 /nfs/dbraw/zinc/92/44/73/1049924473.db2.gz LNUHZEOLHKWPRV-RBUKOAKNSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172510477 1049926780 /nfs/dbraw/zinc/92/67/80/1049926780.db2.gz CWGBHOMJYNSMBJ-QZTJIDSGSA-N 1 1 335.536 4.495 20 30 EIEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549111 1049948098 /nfs/dbraw/zinc/94/80/98/1049948098.db2.gz MPLDTCQEMWZCDN-HSALFYBXSA-N 1 1 342.483 4.089 20 30 EIEDMO CCCC[C@H]1C[C@@H]([N@@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652582 1049956413 /nfs/dbraw/zinc/95/64/13/1049956413.db2.gz YDACMVGABPTHHP-IRXDYDNUSA-N 1 1 337.508 4.180 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648875 1049956440 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4.245 20 30 EIEDMO CCO[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000618281991 1050328243 /nfs/dbraw/zinc/32/82/43/1050328243.db2.gz BYRKLVCPZDJMFS-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CCCC)CC(C)C ZINC001173254947 1050378647 /nfs/dbraw/zinc/37/86/47/1050378647.db2.gz JGJONSOWSQEOLT-PKOBYXMFSA-N 1 1 333.520 4.127 20 30 EIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@H](CCCC)CC(C)C)CCC2 ZINC001173261571 1050387301 /nfs/dbraw/zinc/38/73/01/1050387301.db2.gz PCAGIHRQSLDDGH-GOSISDBHSA-N 1 1 333.520 4.396 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC001173321849 1050414961 /nfs/dbraw/zinc/41/49/61/1050414961.db2.gz QRAZIYDVJJBWJB-UHFFFAOYSA-N 1 1 338.289 4.395 20 30 EIEDMO N#CCC1CCC([NH+]2CCC(N)(c3ccc(Cl)cc3)CC2)CC1 ZINC001173331663 1050422027 /nfs/dbraw/zinc/42/20/27/1050422027.db2.gz DIIVTZUYDWWBBW-UHFFFAOYSA-N 1 1 331.891 4.062 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2C2CCC(CC#N)CC2)cc1OC ZINC001173339132 1050428008 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20 30 EIEDMO CC1(C#N)CCC(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001173593196 1050496794 /nfs/dbraw/zinc/49/67/94/1050496794.db2.gz GADRAZXFGZLCHW-AEAFLJPSSA-N 1 1 337.511 4.055 20 30 EIEDMO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173592351 1050497473 /nfs/dbraw/zinc/49/74/73/1050497473.db2.gz NCYZZIBONFCXJS-RIGHFQGKSA-N 1 1 349.519 4.084 20 30 EIEDMO COC(=O)[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC001173600785 1050501683 /nfs/dbraw/zinc/50/16/83/1050501683.db2.gz JHNJOBKBELSTBP-SVCPCHAPSA-N 1 1 340.467 4.085 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173600929 1050502453 /nfs/dbraw/zinc/50/24/53/1050502453.db2.gz MKKKWDRRDWUJMK-MUZJZNNISA-N 1 1 349.519 4.227 20 30 EIEDMO N#Cc1nc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)sc1Cl ZINC001187352725 1050534211 /nfs/dbraw/zinc/53/42/11/1050534211.db2.gz UWNSSWDKAUFYAL-AWEZNQCLSA-N 1 1 346.887 4.135 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)cc1 ZINC000763518441 1050618556 /nfs/dbraw/zinc/61/85/56/1050618556.db2.gz YTHQKWQRGGEXED-NRFANRHFSA-N 1 1 338.426 4.176 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)cc1 ZINC000763518464 1050618824 /nfs/dbraw/zinc/61/88/24/1050618824.db2.gz YTHQKWQRGGEXED-OAQYLSRUSA-N 1 1 338.426 4.176 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775152063 1050645801 /nfs/dbraw/zinc/64/58/01/1050645801.db2.gz JUCIEKABQMHNCT-UHFFFAOYSA-N 1 1 348.240 4.009 20 30 EIEDMO N#Cc1cc(Nc2cc[nH+]c3ccccc23)ccc1N1CCCCC1 ZINC001174040282 1050715890 /nfs/dbraw/zinc/71/58/90/1050715890.db2.gz ZKUDMBOKZIHGQU-UHFFFAOYSA-N 1 1 328.419 4.262 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000619508755 1050796381 /nfs/dbraw/zinc/79/63/81/1050796381.db2.gz WYCIZRZDRMLTHQ-MSOLQXFVSA-N 1 1 340.373 4.327 20 30 EIEDMO C=CC[N@H+](CCC[C@@H]1CCO1)Cc1cc(Br)ccc1F ZINC001179858175 1050797455 /nfs/dbraw/zinc/79/74/55/1050797455.db2.gz ALGBXFTYZBIPBO-OAHLLOKOSA-N 1 1 342.252 4.145 20 30 EIEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000775182494 1050805802 /nfs/dbraw/zinc/80/58/02/1050805802.db2.gz AHNQTABYPLJKSU-CQSZACIVSA-N 1 1 326.827 4.046 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]2CCCO2)cc1 ZINC001179878418 1050814416 /nfs/dbraw/zinc/81/44/16/1050814416.db2.gz PWWTUVYBRHINTD-QHCPKHFHSA-N 1 1 348.490 4.399 20 30 EIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(F)cc1 ZINC000070741312 1050841510 /nfs/dbraw/zinc/84/15/10/1050841510.db2.gz JOBAIDVMECOZFS-UHFFFAOYSA-N 1 1 349.409 4.009 20 30 EIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(F)cc1 ZINC000070741312 1050841514 /nfs/dbraw/zinc/84/15/14/1050841514.db2.gz JOBAIDVMECOZFS-UHFFFAOYSA-N 1 1 349.409 4.009 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001179962947 1050850491 /nfs/dbraw/zinc/85/04/91/1050850491.db2.gz UVCUYGNPACZTKG-TZIWHRDSSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001179962947 1050850495 /nfs/dbraw/zinc/85/04/95/1050850495.db2.gz UVCUYGNPACZTKG-TZIWHRDSSA-N 1 1 337.442 4.163 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC001180051935 1050868939 /nfs/dbraw/zinc/86/89/39/1050868939.db2.gz MRTBFQPPWRTMMZ-SJLPKXTDSA-N 1 1 335.900 4.212 20 30 EIEDMO C#CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)CC1CC1 ZINC001180117153 1050890760 /nfs/dbraw/zinc/89/07/60/1050890760.db2.gz SMYWJPCDXHTHHH-UHFFFAOYSA-N 1 1 346.190 4.313 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](c1ccccc1)C(C)C ZINC001180185141 1050897378 /nfs/dbraw/zinc/89/73/78/1050897378.db2.gz XNOPREPOIPFCFA-QFIPXVFZSA-N 1 1 336.479 4.446 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018605 1050934385 /nfs/dbraw/zinc/93/43/85/1050934385.db2.gz RPHGBRCRWXPQNC-KRWDZBQOSA-N 1 1 338.442 4.369 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)ccc1C#N ZINC001180404243 1050981864 /nfs/dbraw/zinc/98/18/64/1050981864.db2.gz SRHPTUDOFWANIL-AUUYWEPGSA-N 1 1 336.435 4.448 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)ccc1C#N ZINC001180404243 1050981870 /nfs/dbraw/zinc/98/18/70/1050981870.db2.gz SRHPTUDOFWANIL-AUUYWEPGSA-N 1 1 336.435 4.448 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076180677 1051175050 /nfs/dbraw/zinc/17/50/50/1051175050.db2.gz RXLXVZBSWZMBOW-OASPWFOLSA-N 1 1 336.279 4.292 20 30 EIEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC001190597647 1051230901 /nfs/dbraw/zinc/23/09/01/1051230901.db2.gz QATQHPMKDSRSOW-UHFFFAOYSA-N 1 1 348.368 4.478 20 30 EIEDMO C#CC[C@@H](NCCC[NH2+][C@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403310 1051255322 /nfs/dbraw/zinc/25/53/22/1051255322.db2.gz FRNXWTSSRPCCSD-DHIUTWEWSA-N 1 1 330.475 4.085 20 30 EIEDMO C[C@H]1CCC[C@@H](CC[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818741 1051282819 /nfs/dbraw/zinc/28/28/19/1051282819.db2.gz NOSGHUZALHWQNF-OALUTQOASA-N 1 1 325.500 4.287 20 30 EIEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818743 1051284618 /nfs/dbraw/zinc/28/46/18/1051284618.db2.gz NOSGHUZALHWQNF-RTBURBONSA-N 1 1 325.500 4.287 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC001190855281 1051285866 /nfs/dbraw/zinc/28/58/66/1051285866.db2.gz QUCSXHMVFOMGNA-IBGZPJMESA-N 1 1 336.435 4.303 20 30 EIEDMO C=CCC[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OCC ZINC001181827419 1051322372 /nfs/dbraw/zinc/32/23/72/1051322372.db2.gz LAZUTBRZWNZEQL-LYBXBRPPSA-N 1 1 329.484 4.448 20 30 EIEDMO C[C@H]1SCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001191028957 1051329944 /nfs/dbraw/zinc/32/99/44/1051329944.db2.gz CVPFRYDVPNFAOZ-OXQOHEQNSA-N 1 1 325.452 4.356 20 30 EIEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001191028957 1051329956 /nfs/dbraw/zinc/32/99/56/1051329956.db2.gz CVPFRYDVPNFAOZ-OXQOHEQNSA-N 1 1 325.452 4.356 20 30 EIEDMO CCCCC[N@@H+](C)CCC(=O)Nc1sc2ccccc2c1C#N ZINC001181860246 1051329837 /nfs/dbraw/zinc/32/98/37/1051329837.db2.gz UCPMWFULILSVCY-UHFFFAOYSA-N 1 1 329.469 4.224 20 30 EIEDMO CCCCCCCCNC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001191055291 1051334736 /nfs/dbraw/zinc/33/47/36/1051334736.db2.gz NNUUQEKFKBKJBD-UHFFFAOYSA-N 1 1 349.563 4.397 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(Br)cc1 ZINC001182030954 1051374953 /nfs/dbraw/zinc/37/49/53/1051374953.db2.gz FJSMMOLWOSBYEJ-OAHLLOKOSA-N 1 1 349.659 4.270 20 30 EIEDMO C#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020940 1051384026 /nfs/dbraw/zinc/38/40/26/1051384026.db2.gz QTSJZPHLQFOKCT-YADHBBJMSA-N 1 1 348.465 4.287 20 30 EIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183566 1051390908 /nfs/dbraw/zinc/39/09/08/1051390908.db2.gz SGOHALRDTCOMGL-JTSKRJEESA-N 1 1 347.462 4.278 20 30 EIEDMO N#CCCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246600 1051438479 /nfs/dbraw/zinc/43/84/79/1051438479.db2.gz XPSDKFGXUDYKHT-SFHVURJKSA-N 1 1 347.890 4.067 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\CC(=O)Nc3ccccc3C2=O)c2ccccn21 ZINC000774143912 1051492474 /nfs/dbraw/zinc/49/24/74/1051492474.db2.gz YOBSNYSSTVAWRT-SDNWHVSQSA-N 1 1 345.402 4.066 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001191681607 1051504824 /nfs/dbraw/zinc/50/48/24/1051504824.db2.gz FOONFVWPWFPFHT-UHFFFAOYSA-N 1 1 335.407 4.248 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000183834081 1051512957 /nfs/dbraw/zinc/51/29/57/1051512957.db2.gz YMCMVWCMUXKSDL-NSHDSACASA-N 1 1 335.270 4.427 20 30 EIEDMO C[C@]12CN([C@@H](C#N)c3ccccc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001175382987 1051562682 /nfs/dbraw/zinc/56/26/82/1051562682.db2.gz YXIXFTCGRZZBET-RJGXRXQPSA-N 1 1 345.490 4.095 20 30 EIEDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191911014 1051575112 /nfs/dbraw/zinc/57/51/12/1051575112.db2.gz WILOLSUKGTYFMI-INIZCTEOSA-N 1 1 333.863 4.051 20 30 EIEDMO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001192304062 1051696032 /nfs/dbraw/zinc/69/60/32/1051696032.db2.gz QREHUJZXNRNWSE-QGZVFWFLSA-N 1 1 348.446 4.151 20 30 EIEDMO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001192304062 1051696039 /nfs/dbraw/zinc/69/60/39/1051696039.db2.gz QREHUJZXNRNWSE-QGZVFWFLSA-N 1 1 348.446 4.151 20 30 EIEDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001182772555 1051707742 /nfs/dbraw/zinc/70/77/42/1051707742.db2.gz IAAZPUXHOVZGOW-HXUWFJFHSA-N 1 1 348.494 4.361 20 30 EIEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001175714666 1051734710 /nfs/dbraw/zinc/73/47/10/1051734710.db2.gz JLWFSDKJMLATEI-NHCUHLMSSA-N 1 1 334.463 4.168 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc1 ZINC001183024863 1051774460 /nfs/dbraw/zinc/77/44/60/1051774460.db2.gz QCRCQPHVHHDUHB-QGZVFWFLSA-N 1 1 325.839 4.325 20 30 EIEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000277800789 1051800905 /nfs/dbraw/zinc/80/09/05/1051800905.db2.gz UCLNSHSTNWDYNW-UHFFFAOYSA-N 1 1 327.516 4.303 20 30 EIEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc2ccccc21 ZINC001183179220 1051801653 /nfs/dbraw/zinc/80/16/53/1051801653.db2.gz BLVUXJAHOXDPSR-UHFFFAOYSA-N 1 1 342.442 4.473 20 30 EIEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c2ccccc12 ZINC001175857569 1051821847 /nfs/dbraw/zinc/82/18/47/1051821847.db2.gz IQRIAILUCTYBDD-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001192921893 1051837839 /nfs/dbraw/zinc/83/78/39/1051837839.db2.gz YOMRQLUTJQFXIY-HNNXBMFYSA-N 1 1 329.448 4.138 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001192938296 1051839475 /nfs/dbraw/zinc/83/94/75/1051839475.db2.gz OIHCCDSHESMDMU-ZWKOTPCHSA-N 1 1 347.503 4.302 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640951 1051853103 /nfs/dbraw/zinc/85/31/03/1051853103.db2.gz XRWUGEVVKBROOV-HSALFYBXSA-N 1 1 340.854 4.145 20 30 EIEDMO C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532971 1051863769 /nfs/dbraw/zinc/86/37/69/1051863769.db2.gz ITROWCXDDZEYDY-LJQANCHMSA-N 1 1 347.506 4.367 20 30 EIEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC001176070805 1051886163 /nfs/dbraw/zinc/88/61/63/1051886163.db2.gz QEFGHVPBRXCNJN-LBPRGKRZSA-N 1 1 326.665 4.256 20 30 EIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CC2CCC2)C(C)C)cc1C ZINC001193905003 1052027265 /nfs/dbraw/zinc/02/72/65/1052027265.db2.gz DLVBPARBFSYHDG-UHFFFAOYSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2nc(CC)c(C)s2)CCCC1(C)C ZINC001193919925 1052028467 /nfs/dbraw/zinc/02/84/67/1052028467.db2.gz HCMSJFDUEXANCN-OAHLLOKOSA-N 1 1 335.517 4.019 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001193943376 1052045322 /nfs/dbraw/zinc/04/53/22/1052045322.db2.gz VQICKOUVPIOMOJ-SFHVURJKSA-N 1 1 326.415 4.340 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001184864330 1052120971 /nfs/dbraw/zinc/12/09/71/1052120971.db2.gz HHSQWKGVVBDEJP-IYBDPMFKSA-N 1 1 328.504 4.031 20 30 EIEDMO C=CCn1cc(Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)cn1 ZINC001176550632 1052129137 /nfs/dbraw/zinc/12/91/37/1052129137.db2.gz RFRFFVQULQPWGA-FQEVSTJZSA-N 1 1 344.462 4.390 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001176555633 1052130503 /nfs/dbraw/zinc/13/05/03/1052130503.db2.gz PDBJRTUUUUBNPK-UHFFFAOYSA-N 1 1 342.464 4.207 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001176555633 1052130511 /nfs/dbraw/zinc/13/05/11/1052130511.db2.gz PDBJRTUUUUBNPK-UHFFFAOYSA-N 1 1 342.464 4.207 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194476997 1052157175 /nfs/dbraw/zinc/15/71/75/1052157175.db2.gz HBBWQSBDWRGKMX-LJQANCHMSA-N 1 1 335.407 4.155 20 30 EIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001176798003 1052194188 /nfs/dbraw/zinc/19/41/88/1052194188.db2.gz JHLAZQRXDBZNMX-CQSZACIVSA-N 1 1 342.439 4.251 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC001176815014 1052195617 /nfs/dbraw/zinc/19/56/17/1052195617.db2.gz RKCBTCGVIAEGGM-LJQANCHMSA-N 1 1 332.447 4.100 20 30 EIEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC001176815014 1052195628 /nfs/dbraw/zinc/19/56/28/1052195628.db2.gz RKCBTCGVIAEGGM-LJQANCHMSA-N 1 1 332.447 4.100 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCC=CO2)cc1 ZINC000774845029 1052201358 /nfs/dbraw/zinc/20/13/58/1052201358.db2.gz HAZBRBQEMFVHEU-OAQYLSRUSA-N 1 1 336.410 4.392 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913987 1052283538 /nfs/dbraw/zinc/28/35/38/1052283538.db2.gz UGGQVVYDXCXIKT-LEWJYISDSA-N 1 1 338.426 4.094 20 30 EIEDMO C=CC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000171882232 1052457744 /nfs/dbraw/zinc/45/77/44/1052457744.db2.gz ONAIXRBRKGWISO-UHFFFAOYSA-N 1 1 348.490 4.357 20 30 EIEDMO C=CCC1(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCCCC1 ZINC000654021089 1052502478 /nfs/dbraw/zinc/50/24/78/1052502478.db2.gz MSQJSUDSSGLMAI-UHFFFAOYSA-N 1 1 341.499 4.002 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)ccc1OC ZINC000183705685 1052981576 /nfs/dbraw/zinc/98/15/76/1052981576.db2.gz XORFAEZRJDSOHI-MRXNPFEDSA-N 1 1 326.440 4.238 20 30 EIEDMO CC(C)n1ccnc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000850152916 1053080751 /nfs/dbraw/zinc/08/07/51/1053080751.db2.gz NFGVADCOXSVGAY-UHFFFAOYSA-N 1 1 336.464 4.354 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000775615932 1053113607 /nfs/dbraw/zinc/11/36/07/1053113607.db2.gz VOXMBFFQDRHCBH-OALUTQOASA-N 1 1 338.451 4.169 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001195257971 1053349511 /nfs/dbraw/zinc/34/95/11/1053349511.db2.gz LPWFVSBEFCMFSM-SFHVURJKSA-N 1 1 342.389 4.052 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1 ZINC001195279965 1053357752 /nfs/dbraw/zinc/35/77/52/1053357752.db2.gz QJXAFPPQYKUVNI-RTBURBONSA-N 1 1 326.484 4.143 20 30 EIEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001195569297 1053439719 /nfs/dbraw/zinc/43/97/19/1053439719.db2.gz WFXXFNRMBKNILW-KRWDZBQOSA-N 1 1 346.434 4.386 20 30 EIEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001195569297 1053439729 /nfs/dbraw/zinc/43/97/29/1053439729.db2.gz WFXXFNRMBKNILW-KRWDZBQOSA-N 1 1 346.434 4.386 20 30 EIEDMO CCCn1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000865524167 1053534369 /nfs/dbraw/zinc/53/43/69/1053534369.db2.gz IOLWHBAVORMRTP-INIZCTEOSA-N 1 1 345.450 4.078 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](CCCCC#N)C2)CC1 ZINC000852302380 1053566739 /nfs/dbraw/zinc/56/67/39/1053566739.db2.gz AGHSRVXCYXFBEA-GOSISDBHSA-N 1 1 349.519 4.039 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852333190 1053570648 /nfs/dbraw/zinc/57/06/48/1053570648.db2.gz ZJZLEEUPSQQZJX-SIKLNZKXSA-N 1 1 331.463 4.059 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852333190 1053570653 /nfs/dbraw/zinc/57/06/53/1053570653.db2.gz ZJZLEEUPSQQZJX-SIKLNZKXSA-N 1 1 331.463 4.059 20 30 EIEDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083949 1053577122 /nfs/dbraw/zinc/57/71/22/1053577122.db2.gz XPTQPGAFYHQJFJ-NRFANRHFSA-N 1 1 334.463 4.322 20 30 EIEDMO C=CCC1([NH2+]Cc2nc3ccc(Br)cc3[nH]2)CCCC1 ZINC001196150399 1053591933 /nfs/dbraw/zinc/59/19/33/1053591933.db2.gz VFUZCXUUTWSSDE-UHFFFAOYSA-N 1 1 334.261 4.304 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852594841 1053595415 /nfs/dbraw/zinc/59/54/15/1053595415.db2.gz DGCMFKIMNLTCDM-QAPCUYQASA-N 1 1 348.874 4.023 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315096 1053629458 /nfs/dbraw/zinc/62/94/58/1053629458.db2.gz ZPFVAJCBWFGCDN-AEFFLSMTSA-N 1 1 341.417 4.430 20 30 EIEDMO CCCCC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001196328679 1053640904 /nfs/dbraw/zinc/64/09/04/1053640904.db2.gz FZXAQXCCQCXPFQ-KRWDZBQOSA-N 1 1 328.456 4.280 20 30 EIEDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC001196338819 1053643938 /nfs/dbraw/zinc/64/39/38/1053643938.db2.gz NOLWTZWYRWSNKZ-UHFFFAOYSA-N 1 1 335.451 4.106 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866229098 1053656983 /nfs/dbraw/zinc/65/69/83/1053656983.db2.gz NACMGKINDXCCBH-BDJLRTHQSA-N 1 1 328.412 4.291 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000111219311 1053663675 /nfs/dbraw/zinc/66/36/75/1053663675.db2.gz WRTZEPNWTARSBF-UHFFFAOYSA-N 1 1 336.464 4.353 20 30 EIEDMO COC[C@H](C)[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646623 1053716151 /nfs/dbraw/zinc/71/61/51/1053716151.db2.gz MUGAEUTZXRKTNC-YCRPNKLZSA-N 1 1 338.426 4.222 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2csc(C#N)c2)C1 ZINC000921535314 1053720948 /nfs/dbraw/zinc/72/09/48/1053720948.db2.gz JMBCDIJLLPXMOI-MRXNPFEDSA-N 1 1 339.508 4.141 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)C[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC001196819036 1053781620 /nfs/dbraw/zinc/78/16/20/1053781620.db2.gz QMOFRKPHBJIKLK-CYBMUJFWSA-N 1 1 347.528 4.323 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000121803378 1053848948 /nfs/dbraw/zinc/84/89/48/1053848948.db2.gz ATMTXDCDIFNJMQ-IEBWSBKVSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121864174 1053854069 /nfs/dbraw/zinc/85/40/69/1053854069.db2.gz QVPDUFUYSXRWIX-MJGOQNOKSA-N 1 1 342.414 4.159 20 30 EIEDMO CC[C@]1(CCc2ccccc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC001197357773 1053881729 /nfs/dbraw/zinc/88/17/29/1053881729.db2.gz DJFJMTIHYRCDLH-LJQANCHMSA-N 1 1 325.481 4.392 20 30 EIEDMO CC#CC[N@H+]1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587693 1053947995 /nfs/dbraw/zinc/94/79/95/1053947995.db2.gz DDQXAZYESCCPLU-PKOBYXMFSA-N 1 1 348.531 4.195 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1 ZINC000113961281 1054033030 /nfs/dbraw/zinc/03/30/30/1054033030.db2.gz XZZJPWGIPGCSMW-MRXNPFEDSA-N 1 1 343.496 4.411 20 30 EIEDMO C#CC[N@H+](C[C@H](Cc1ccccc1)OC)[C@@H]1CCCc2ccccc21 ZINC001198104769 1054078936 /nfs/dbraw/zinc/07/89/36/1054078936.db2.gz RPVCRJTYGZYTEC-JTHBVZDNSA-N 1 1 333.475 4.257 20 30 EIEDMO Cc1ccc(Br)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001198194545 1054102261 /nfs/dbraw/zinc/10/22/61/1054102261.db2.gz HLIAPOVBPHKXMJ-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3cc(C#N)cs3)cc2)n1 ZINC001198195399 1054101759 /nfs/dbraw/zinc/10/17/59/1054101759.db2.gz WZCSJPIPTDUSPT-UHFFFAOYSA-N 1 1 336.464 4.054 20 30 EIEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250833 1054109513 /nfs/dbraw/zinc/10/95/13/1054109513.db2.gz DQGDEDWMQCJBGU-UNQWWWNPSA-N 1 1 332.369 4.221 20 30 EIEDMO C=CCCC[N@H+](CC)C[C@@](C)(O)c1ccc(Br)cc1F ZINC001198457594 1054149963 /nfs/dbraw/zinc/14/99/63/1054149963.db2.gz DBWDONLPHFMWBJ-MRXNPFEDSA-N 1 1 344.268 4.084 20 30 EIEDMO C#C[C@H]1CCCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001198524507 1054174240 /nfs/dbraw/zinc/17/42/40/1054174240.db2.gz FRGCQGMGULPYGK-HNNXBMFYSA-N 1 1 325.374 4.352 20 30 EIEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001198526743 1054177253 /nfs/dbraw/zinc/17/72/53/1054177253.db2.gz UVVLXROJRWFTQE-IBGZPJMESA-N 1 1 348.446 4.295 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872081407 1054383515 /nfs/dbraw/zinc/38/35/15/1054383515.db2.gz XTIAPKBQXQULJI-SJKOYZFVSA-N 1 1 339.370 4.334 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017337 1054402186 /nfs/dbraw/zinc/40/21/86/1054402186.db2.gz NPKYQVQOYRRTCM-IERDGZPVSA-N 1 1 347.462 4.435 20 30 EIEDMO Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(C#N)cc1F ZINC001201566901 1054851641 /nfs/dbraw/zinc/85/16/41/1054851641.db2.gz QPHGSZWEZDSFFV-UHFFFAOYSA-N 1 1 345.175 4.160 20 30 EIEDMO CCCCCCCCCCC[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001201630891 1054860699 /nfs/dbraw/zinc/86/06/99/1054860699.db2.gz GTGHFZMRNFUADA-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO CCCCCCCCCCC[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001201630891 1054860704 /nfs/dbraw/zinc/86/07/04/1054860704.db2.gz GTGHFZMRNFUADA-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CCCCCCC)CC2 ZINC001201762870 1054901321 /nfs/dbraw/zinc/90/13/21/1054901321.db2.gz YDKLPJVPNCKOKP-UHFFFAOYSA-N 1 1 345.531 4.324 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001201813951 1054911140 /nfs/dbraw/zinc/91/11/40/1054911140.db2.gz LMPZKGWHFAQICF-SFHVURJKSA-N 1 1 333.520 4.199 20 30 EIEDMO CCCCCCC[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001201776865 1054917109 /nfs/dbraw/zinc/91/71/09/1054917109.db2.gz OJNQMVDOPWUIMN-NJDAHSKKSA-N 1 1 346.515 4.048 20 30 EIEDMO C[C@H](C#N)C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791551 1054958102 /nfs/dbraw/zinc/95/81/02/1054958102.db2.gz MAOAIRZIWFIOGO-CQSZACIVSA-N 1 1 329.444 4.158 20 30 EIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791551 1054958112 /nfs/dbraw/zinc/95/81/12/1054958112.db2.gz MAOAIRZIWFIOGO-CQSZACIVSA-N 1 1 329.444 4.158 20 30 EIEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000777220500 1054992663 /nfs/dbraw/zinc/99/26/63/1054992663.db2.gz IRBDDAOXDGJECA-LJQANCHMSA-N 1 1 342.487 4.074 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000877137582 1055026937 /nfs/dbraw/zinc/02/69/37/1055026937.db2.gz YTQDYGVCXKVROU-HNNXBMFYSA-N 1 1 348.233 4.264 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)cc1 ZINC001137121543 1055069323 /nfs/dbraw/zinc/06/93/23/1055069323.db2.gz QFESTLXGWXUMLV-SFHVURJKSA-N 1 1 328.362 4.204 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)cc1 ZINC001137121543 1055069332 /nfs/dbraw/zinc/06/93/32/1055069332.db2.gz QFESTLXGWXUMLV-SFHVURJKSA-N 1 1 328.362 4.204 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043089 1055103134 /nfs/dbraw/zinc/10/31/34/1055103134.db2.gz NZPYTLHGTYSPFM-WOPDTQHZSA-N 1 1 329.391 4.034 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769515 1055119138 /nfs/dbraw/zinc/11/91/38/1055119138.db2.gz JRYFMOIUDITOJN-UHFFFAOYSA-N 1 1 332.451 4.150 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000119255687 1055146111 /nfs/dbraw/zinc/14/61/11/1055146111.db2.gz YFNBSYCKNAKCCJ-QGZVFWFLSA-N 1 1 333.435 4.261 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](CC(C)C)C1CCCC1)c1ccccc1 ZINC000878009681 1055173097 /nfs/dbraw/zinc/17/30/97/1055173097.db2.gz BFWYNBDPTBYVCH-OAQYLSRUSA-N 1 1 326.484 4.328 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031156 1055178928 /nfs/dbraw/zinc/17/89/28/1055178928.db2.gz RIOFINUVPHUBST-NZQKXSOJSA-N 1 1 346.474 4.225 20 30 EIEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878132357 1055192007 /nfs/dbraw/zinc/19/20/07/1055192007.db2.gz SODUMZNHWAJONE-DHIUTWEWSA-N 1 1 348.490 4.380 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000878522081 1055331171 /nfs/dbraw/zinc/33/11/71/1055331171.db2.gz JXQKRUDDHBQGMN-LAUBAEHRSA-N 1 1 326.484 4.328 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC(C)=C(c2ccco2)C1)c1ccccc1 ZINC000878566803 1055345482 /nfs/dbraw/zinc/34/54/82/1055345482.db2.gz PMWVHMIXQBFMDL-JOCHJYFZSA-N 1 1 348.446 4.199 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301807161 1055987265 /nfs/dbraw/zinc/98/72/65/1055987265.db2.gz YFKVUVGPIWTJEX-YOEHRIQHSA-N 1 1 349.400 4.030 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000303144357 1056143025 /nfs/dbraw/zinc/14/30/25/1056143025.db2.gz FDCFSAJOYCDFMU-IBGZPJMESA-N 1 1 331.419 4.157 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000303144357 1056143049 /nfs/dbraw/zinc/14/30/49/1056143049.db2.gz FDCFSAJOYCDFMU-IBGZPJMESA-N 1 1 331.419 4.157 20 30 EIEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(C#N)cc2Cl)CC1 ZINC000554855994 1056392847 /nfs/dbraw/zinc/39/28/47/1056392847.db2.gz XQOOUFMTJKOQSI-UHFFFAOYSA-N 1 1 348.874 4.155 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615672 1056583921 /nfs/dbraw/zinc/58/39/21/1056583921.db2.gz GRQHJQQAKDMGPY-QGZVFWFLSA-N 1 1 349.478 4.449 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615672 1056583945 /nfs/dbraw/zinc/58/39/45/1056583945.db2.gz GRQHJQQAKDMGPY-QGZVFWFLSA-N 1 1 349.478 4.449 20 30 EIEDMO CCCCOc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OC ZINC000742383978 1058585043 /nfs/dbraw/zinc/58/50/43/1058585043.db2.gz WYQGKIYULLCNOR-UHFFFAOYSA-N 1 1 342.414 4.175 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743843325 1059171892 /nfs/dbraw/zinc/17/18/92/1059171892.db2.gz VWDVUKBZDRDRNY-HXUWFJFHSA-N 1 1 342.870 4.403 20 30 EIEDMO CC#CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001168824957 1060430393 /nfs/dbraw/zinc/43/03/93/1060430393.db2.gz FDUWBTZQMUBOIG-UHFFFAOYSA-N 1 1 328.253 4.475 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CCCCC2)CC1 ZINC001169306683 1060765879 /nfs/dbraw/zinc/76/58/79/1060765879.db2.gz JFWUVIFZAOKPRE-KRWDZBQOSA-N 1 1 339.483 4.322 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946623 1061048166 /nfs/dbraw/zinc/04/81/66/1061048166.db2.gz IIACUBZHUBMCKX-HNNXBMFYSA-N 1 1 327.472 4.141 20 30 EIEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119213 /nfs/dbraw/zinc/11/92/13/1032119213.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 1 1 345.490 4.045 20 30 EIEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121432 /nfs/dbraw/zinc/12/14/32/1032121432.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 1 1 345.490 4.045 20 30 EIEDMO C[C@H](C#N)C[N@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000532819196 1032341594 /nfs/dbraw/zinc/34/15/94/1032341594.db2.gz XUDNWYQNWPKBAR-CYBMUJFWSA-N 1 1 326.362 4.098 20 30 EIEDMO C[C@H](C#N)C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000532819196 1032341608 /nfs/dbraw/zinc/34/16/08/1032341608.db2.gz XUDNWYQNWPKBAR-CYBMUJFWSA-N 1 1 326.362 4.098 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000532933461 1032398317 /nfs/dbraw/zinc/39/83/17/1032398317.db2.gz PLTDFXBBJOMSED-UHFFFAOYSA-N 1 1 335.451 4.045 20 30 EIEDMO C=C1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529530448 1032418871 /nfs/dbraw/zinc/41/88/71/1032418871.db2.gz PPMJWSYCVXTOQT-UHFFFAOYSA-N 1 1 338.274 4.053 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000459385235 1032531700 /nfs/dbraw/zinc/53/17/00/1032531700.db2.gz WXCRMNUEFGCJPY-HXUWFJFHSA-N 1 1 335.407 4.488 20 30 EIEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000475730710 1032534270 /nfs/dbraw/zinc/53/42/70/1032534270.db2.gz LPVAJWNILSLJPV-FQEVSTJZSA-N 1 1 336.479 4.177 20 30 EIEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600976 1032566548 /nfs/dbraw/zinc/56/65/48/1032566548.db2.gz XOUWHHKZXOZRCL-NSHDSACASA-N 1 1 329.391 4.035 20 30 EIEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600976 1032566552 /nfs/dbraw/zinc/56/65/52/1032566552.db2.gz XOUWHHKZXOZRCL-NSHDSACASA-N 1 1 329.391 4.035 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000180037855 1032582978 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CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324430 1032672891 /nfs/dbraw/zinc/67/28/91/1032672891.db2.gz SQPKMOWNMOEVSU-UHFFFAOYSA-N 1 1 348.402 4.113 20 30 EIEDMO C=CCSc1ccccc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000547625784 1018849862 /nfs/dbraw/zinc/84/98/62/1018849862.db2.gz KEGUAIOLPVCORG-UHFFFAOYSA-N 1 1 346.540 4.157 20 30 EIEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000186885825 1018912238 /nfs/dbraw/zinc/91/22/38/1018912238.db2.gz WMOCKBUAKNUXBP-UHFFFAOYSA-N 1 1 343.430 4.261 20 30 EIEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510074327 1019072642 /nfs/dbraw/zinc/07/26/42/1019072642.db2.gz UWWQJXVIGUSOER-UYAOXDASSA-N 1 1 340.511 4.172 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]2CC)cc1OC ZINC000430191660 1019083344 /nfs/dbraw/zinc/08/33/44/1019083344.db2.gz HCTVCRXDPRFPCB-ZDUSSCGKSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]2CC)cc1OC ZINC000430191660 1019083361 /nfs/dbraw/zinc/08/33/61/1019083361.db2.gz 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C[C@H](N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000471582666 1022080388 /nfs/dbraw/zinc/08/03/88/1022080388.db2.gz PTESRMPDFHPDRM-AUSJPIAWSA-N 1 1 325.431 4.039 20 30 EIEDMO CC(C)[N@@H+](C)CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000548117605 1022298402 /nfs/dbraw/zinc/29/84/02/1022298402.db2.gz VLMKLNWMVNRDKD-UHFFFAOYSA-N 1 1 339.405 4.134 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000378184480 1022482644 /nfs/dbraw/zinc/48/26/44/1022482644.db2.gz MVJQVBYPIDSLNB-INIZCTEOSA-N 1 1 332.403 4.204 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000472583954 1022507585 /nfs/dbraw/zinc/50/75/85/1022507585.db2.gz XDBMZMFQGRLLEU-AEFFLSMTSA-N 1 1 345.874 4.194 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(OC(F)(F)F)c1 ZINC000180646488 1022762993 /nfs/dbraw/zinc/76/29/93/1022762993.db2.gz NFEJFUTYUQIOPZ-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(OC(F)(F)F)c1 ZINC000180646488 1022763010 /nfs/dbraw/zinc/76/30/10/1022763010.db2.gz NFEJFUTYUQIOPZ-UHFFFAOYSA-N 1 1 326.343 4.150 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000363879058 1022882240 /nfs/dbraw/zinc/88/22/40/1022882240.db2.gz LZNCIMYGERDNIR-IEBWSBKVSA-N 1 1 330.859 4.083 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145498 1022888735 /nfs/dbraw/zinc/88/87/35/1022888735.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145498 1022888738 /nfs/dbraw/zinc/88/87/38/1022888738.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145498 1022888740 /nfs/dbraw/zinc/88/87/40/1022888740.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 1 1 348.425 4.262 20 30 EIEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccc(N)cc1Cl ZINC000782904005 1023101271 /nfs/dbraw/zinc/10/12/71/1023101271.db2.gz SAZMKKNNYXQRON-UHFFFAOYSA-N 1 1 325.746 4.360 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc(C)ccc2c1 ZINC000189707589 1023125160 /nfs/dbraw/zinc/12/51/60/1023125160.db2.gz WGIGOOFJHRVFDX-UHFFFAOYSA-N 1 1 345.446 4.064 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461607 1023210358 /nfs/dbraw/zinc/21/03/58/1023210358.db2.gz NLXXYMCKGRYLIZ-LJQANCHMSA-N 1 1 328.500 4.395 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364065995 1023237602 /nfs/dbraw/zinc/23/76/02/1023237602.db2.gz LRWZNPVCGPSJOO-QUCCMNQESA-N 1 1 328.500 4.102 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364071321 1023252678 /nfs/dbraw/zinc/25/26/78/1023252678.db2.gz YLGBOHVYXVWAGM-IBGZPJMESA-N 1 1 340.511 4.103 20 30 EIEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511621018 1023285677 /nfs/dbraw/zinc/28/56/77/1023285677.db2.gz AXLZADADQGSMSN-QUCCMNQESA-N 1 1 327.516 4.474 20 30 EIEDMO C=CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000659824041 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/nfs/dbraw/zinc/78/53/56/1023785356.db2.gz DVPBRBZCGJFSGK-AWEZNQCLSA-N 1 1 336.826 4.248 20 30 EIEDMO COc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1C#N ZINC000312788014 1023811321 /nfs/dbraw/zinc/81/13/21/1023811321.db2.gz XFTZIXIICDXSRA-UHFFFAOYSA-N 1 1 327.236 4.225 20 30 EIEDMO C#Cc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)nc1 ZINC000728806932 1023904342 /nfs/dbraw/zinc/90/43/42/1023904342.db2.gz SETKLCNSCHQTEX-UHFFFAOYSA-N 1 1 347.462 4.080 20 30 EIEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000510514218 1023976447 /nfs/dbraw/zinc/97/64/47/1023976447.db2.gz LRAJZYNYCULVBL-MRXNPFEDSA-N 1 1 347.462 4.351 20 30 EIEDMO C=CC[NH+]1CCC(N[C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740662 1024382811 /nfs/dbraw/zinc/38/28/11/1024382811.db2.gz VVGCLPQNMJNTDL-JOCHJYFZSA-N 1 1 338.470 4.464 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)C(C)(C)C ZINC000661760333 1024476843 /nfs/dbraw/zinc/47/68/43/1024476843.db2.gz RHUQQCAPEGUGDI-UHFFFAOYSA-N 1 1 332.469 4.311 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](C)C#N ZINC000091983747 1024510172 /nfs/dbraw/zinc/51/01/72/1024510172.db2.gz FKCCEUJEJSFANV-QGZVFWFLSA-N 1 1 333.435 4.119 20 30 EIEDMO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](C)C#N ZINC000091983747 1024510189 /nfs/dbraw/zinc/51/01/89/1024510189.db2.gz FKCCEUJEJSFANV-QGZVFWFLSA-N 1 1 333.435 4.119 20 30 EIEDMO C=C(C)CN(CC)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000124046917 1024698318 /nfs/dbraw/zinc/69/83/18/1024698318.db2.gz OTPOJSRXCYBZHC-UHFFFAOYSA-N 1 1 336.479 4.357 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](C)C#N ZINC000091983989 1024707408 /nfs/dbraw/zinc/70/74/08/1024707408.db2.gz DTIUUIKWIJTKAB-QGZVFWFLSA-N 1 1 333.435 4.119 20 30 EIEDMO CC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](C)C#N ZINC000091983989 1024707436 /nfs/dbraw/zinc/70/74/36/1024707436.db2.gz DTIUUIKWIJTKAB-QGZVFWFLSA-N 1 1 333.435 4.119 20 30 EIEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610728641 1024772438 /nfs/dbraw/zinc/77/24/38/1024772438.db2.gz FAGMBFRABWCNNU-RXVVDRJESA-N 1 1 338.426 4.297 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341837804 1024812437 /nfs/dbraw/zinc/81/24/37/1024812437.db2.gz WHKIXOIMSVGJSK-UHFFFAOYSA-N 1 1 331.341 4.160 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341837804 1024812438 /nfs/dbraw/zinc/81/24/38/1024812438.db2.gz WHKIXOIMSVGJSK-UHFFFAOYSA-N 1 1 331.341 4.160 20 30 EIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610788828 1024856602 /nfs/dbraw/zinc/85/66/02/1024856602.db2.gz UIQFEUARDWXUQB-JOCHJYFZSA-N 1 1 347.462 4.142 20 30 EIEDMO CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000330250110 1024880196 /nfs/dbraw/zinc/88/01/96/1024880196.db2.gz HAEZIRWIIVBPBQ-STQMWFEESA-N 1 1 331.485 4.207 20 30 EIEDMO C=CC[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000188306562 1024934953 /nfs/dbraw/zinc/93/49/53/1024934953.db2.gz TWUHJJQEVWIHED-ICSRJNTNSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1sccc1Br ZINC000610812543 1025010282 /nfs/dbraw/zinc/01/02/82/1025010282.db2.gz KLRRPJXNFBUKJD-SECBINFHSA-N 1 1 339.233 4.372 20 30 EIEDMO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)ccn1 ZINC000610955967 1025167697 /nfs/dbraw/zinc/16/76/97/1025167697.db2.gz LAEOYISQDZQQAI-FQEVSTJZSA-N 1 1 333.822 4.486 20 30 EIEDMO CC1CCC([N@H+](Cc2ccc(C#N)cc2F)C[C@@H]2CCCO2)CC1 ZINC000215663004 1025204649 /nfs/dbraw/zinc/20/46/49/1025204649.db2.gz KGHXMJSIKRIJEX-PPSBMQLTSA-N 1 1 330.447 4.257 20 30 EIEDMO CC(C)(C#N)CCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000548527651 1025368294 /nfs/dbraw/zinc/36/82/94/1025368294.db2.gz UESGYAMXHBTXPJ-SFHVURJKSA-N 1 1 349.469 4.410 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000512077704 1025891441 /nfs/dbraw/zinc/89/14/41/1025891441.db2.gz QBCIJQASUJQFAM-UHFFFAOYSA-N 1 1 335.451 4.351 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(F)c(C#N)c1 ZINC000119734859 1026011679 /nfs/dbraw/zinc/01/16/79/1026011679.db2.gz DFHDPDZCZOOTDE-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO Cc1ccccc1C1CC([N@@H+](C[C@H](O)c2cccc(C#N)c2)C2CC2)C1 ZINC001167543450 1026025621 /nfs/dbraw/zinc/02/56/21/1026025621.db2.gz CLEFRNREGBRTKX-IRSIHTCSSA-N 1 1 346.474 4.311 20 30 EIEDMO C=CCOc1ccccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971561 1026089492 /nfs/dbraw/zinc/08/94/92/1026089492.db2.gz YNTVUSALWAILRE-OHSMVPPVSA-N 1 1 340.511 4.307 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000119795736 1026124334 /nfs/dbraw/zinc/12/43/34/1026124334.db2.gz UVVMJLDHDBKJRC-UHFFFAOYSA-N 1 1 345.512 4.090 20 30 EIEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000934288128 1026152112 /nfs/dbraw/zinc/15/21/12/1026152112.db2.gz RYGREHGPQZYUEM-GOSISDBHSA-N 1 1 338.411 4.047 20 30 EIEDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000344217780 1026152542 /nfs/dbraw/zinc/15/25/42/1026152542.db2.gz KURLUDKACJWQHQ-HNAYVOBHSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000344217780 1026152554 /nfs/dbraw/zinc/15/25/54/1026152554.db2.gz KURLUDKACJWQHQ-HNAYVOBHSA-N 1 1 345.512 4.141 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc2ccccc2c1 ZINC000023330055 1026204708 /nfs/dbraw/zinc/20/47/08/1026204708.db2.gz YSIOOTKDSGMBBZ-UHFFFAOYSA-N 1 1 349.459 4.234 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000892202900 1026240810 /nfs/dbraw/zinc/24/08/10/1026240810.db2.gz VDTLYDNRRRLOOP-PZJWPPBQSA-N 1 1 336.483 4.353 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000892202900 1026240823 /nfs/dbraw/zinc/24/08/23/1026240823.db2.gz VDTLYDNRRRLOOP-PZJWPPBQSA-N 1 1 336.483 4.353 20 30 EIEDMO C=CCCCCC[NH+]1CCC2(CN(Cc3scnc3C)C2)CC1 ZINC001279273608 1026264655 /nfs/dbraw/zinc/26/46/55/1026264655.db2.gz VHQVJKJSGUPNNB-UHFFFAOYSA-N 1 1 333.545 4.096 20 30 EIEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000511090419 1026308509 /nfs/dbraw/zinc/30/85/09/1026308509.db2.gz IYIPJMWNMNRSHB-UHFFFAOYSA-N 1 1 337.423 4.070 20 30 EIEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198487 1026418572 /nfs/dbraw/zinc/41/85/72/1026418572.db2.gz SYDIRWPCKZZTJS-AVRDEDQJSA-N 1 1 345.490 4.284 20 30 EIEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198487 1026418581 /nfs/dbraw/zinc/41/85/81/1026418581.db2.gz SYDIRWPCKZZTJS-AVRDEDQJSA-N 1 1 345.490 4.284 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167561997 1026424228 /nfs/dbraw/zinc/42/42/28/1026424228.db2.gz DGQPEDJXKVKXNT-MSOLQXFVSA-N 1 1 336.520 4.195 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004846 1026674691 /nfs/dbraw/zinc/67/46/91/1026674691.db2.gz LWIOIOYABFWIQJ-FUHIMQAGSA-N 1 1 330.903 4.029 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2CC(C)C)cc1OCCCC#N ZINC000507169535 1026681604 /nfs/dbraw/zinc/68/16/04/1026681604.db2.gz WHMMRIAFVLEDKA-GOSISDBHSA-N 1 1 330.472 4.388 20 30 EIEDMO Cc1cc(Br)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507252686 1026716619 /nfs/dbraw/zinc/71/66/19/1026716619.db2.gz NKBXRNIVCOKKTI-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000507246782 1026721572 /nfs/dbraw/zinc/72/15/72/1026721572.db2.gz KOLYETFCQVWIPO-UHFFFAOYSA-N 1 1 338.451 4.376 20 30 EIEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CCC1 ZINC000582502399 1026727760 /nfs/dbraw/zinc/72/77/60/1026727760.db2.gz UHGCSZSHPSTEBI-KRWDZBQOSA-N 1 1 346.540 4.083 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000074981875 1027031451 /nfs/dbraw/zinc/03/14/51/1027031451.db2.gz XRSRTAMZFBYPTP-CYBMUJFWSA-N 1 1 326.868 4.133 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000519908913 1027041344 /nfs/dbraw/zinc/04/13/44/1027041344.db2.gz XIZJXSBRSFOMGF-ZDUSSCGKSA-N 1 1 341.282 4.187 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000519908913 1027041348 /nfs/dbraw/zinc/04/13/48/1027041348.db2.gz XIZJXSBRSFOMGF-ZDUSSCGKSA-N 1 1 341.282 4.187 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000185476113 1027264573 /nfs/dbraw/zinc/26/45/73/1027264573.db2.gz CPRUKRPVFIIHGQ-OAHLLOKOSA-N 1 1 348.475 4.051 20 30 EIEDMO C[C@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000523087232 1027485583 /nfs/dbraw/zinc/48/55/83/1027485583.db2.gz VGCVKMKDDZZDDM-WMZOPIPTSA-N 1 1 337.442 4.187 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC#N)cc1C ZINC000346737027 1027491594 /nfs/dbraw/zinc/49/15/94/1027491594.db2.gz CRNLPLLEJMEKQK-UHFFFAOYSA-N 1 1 330.435 4.159 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000329186731 1027633898 /nfs/dbraw/zinc/63/38/98/1027633898.db2.gz PWJGIGSRLAQJLO-NSISKUIASA-N 1 1 339.483 4.183 20 30 EIEDMO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccs1 ZINC000329197912 1027640089 /nfs/dbraw/zinc/64/00/89/1027640089.db2.gz WKPUFCOMKLJOJN-GDBMZVCRSA-N 1 1 349.500 4.129 20 30 EIEDMO N#CCCC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000582902685 1027643296 /nfs/dbraw/zinc/64/32/96/1027643296.db2.gz RFEPLZWGTOBWAL-UHFFFAOYSA-N 1 1 328.847 4.041 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OCCCC#N)c1 ZINC000179327621 1027664154 /nfs/dbraw/zinc/66/41/54/1027664154.db2.gz DLLPQSZGUIDKAN-UHFFFAOYSA-N 1 1 338.451 4.400 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000895017821 1027710694 /nfs/dbraw/zinc/71/06/94/1027710694.db2.gz HREGGLQLRXFMTA-NSHDSACASA-N 1 1 339.386 4.313 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000895017821 1027710717 /nfs/dbraw/zinc/71/07/17/1027710717.db2.gz HREGGLQLRXFMTA-NSHDSACASA-N 1 1 339.386 4.313 20 30 EIEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001167641847 1027757189 /nfs/dbraw/zinc/75/71/89/1027757189.db2.gz MPOFEBFEFTYPGH-GOSISDBHSA-N 1 1 326.827 4.037 20 30 EIEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193077009 1027788115 /nfs/dbraw/zinc/78/81/15/1027788115.db2.gz QHURZEGOHSRXLR-DENIHFKCSA-N 1 1 348.490 4.122 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686331 1027794390 /nfs/dbraw/zinc/79/43/90/1027794390.db2.gz GFUWJOQTWLPIEW-GJZGRUSLSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686331 1027794399 /nfs/dbraw/zinc/79/43/99/1027794399.db2.gz GFUWJOQTWLPIEW-GJZGRUSLSA-N 1 1 346.862 4.159 20 30 EIEDMO N#C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000328684219 1027795323 /nfs/dbraw/zinc/79/53/23/1027795323.db2.gz PONXAOYSMQMWKZ-CNDZOEFASA-N 1 1 343.430 4.059 20 30 EIEDMO O=C(N[C@@H]1CCCOCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329477144 1027806322 /nfs/dbraw/zinc/80/63/22/1027806322.db2.gz PSTQKXJPJRWVAC-IAGOWNOFSA-N 1 1 345.487 4.019 20 30 EIEDMO N#CCCC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000399465996 1027837419 /nfs/dbraw/zinc/83/74/19/1027837419.db2.gz NPOZAXKWCADRPO-UHFFFAOYSA-N 1 1 325.225 4.104 20 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CC[C@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000444078787 1028839347 /nfs/dbraw/zinc/83/93/47/1028839347.db2.gz PJCVCSNZPQFURT-HXUWFJFHSA-N 1 1 335.451 4.360 20 30 EIEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001125682556 1028894253 /nfs/dbraw/zinc/89/42/53/1028894253.db2.gz OVVUDEDUPVSEDI-HXUWFJFHSA-N 1 1 328.500 4.246 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444120870 1028965033 /nfs/dbraw/zinc/96/50/33/1028965033.db2.gz XQGXOSWPBWCFQH-OAQYLSRUSA-N 1 1 335.451 4.216 20 30 EIEDMO C[C@@H]1SCC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837410 1028988126 /nfs/dbraw/zinc/98/81/26/1028988126.db2.gz YQJPLBBJSGMYIR-OXJNMPFZSA-N 1 1 338.476 4.116 20 30 EIEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCc2ccccc21 ZINC000524754521 1029194071 /nfs/dbraw/zinc/19/40/71/1029194071.db2.gz BECMCPYLUNQSRH-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCc2ccccc21 ZINC000524754521 1029194088 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CC[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000343491778 1029359908 /nfs/dbraw/zinc/35/99/08/1029359908.db2.gz CBKZUQUGBZWSEX-IAGOWNOFSA-N 1 1 332.806 4.125 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1OC ZINC000475288006 1029502361 /nfs/dbraw/zinc/50/23/61/1029502361.db2.gz QHJDFKPSCQRLTC-DZGCQCFKSA-N 1 1 343.389 4.423 20 30 EIEDMO COCC[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000508572885 1029575359 /nfs/dbraw/zinc/57/53/59/1029575359.db2.gz XZYCFCSKUAVJFW-UHFFFAOYSA-N 1 1 336.460 4.422 20 30 EIEDMO Cc1ccsc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475358162 1029575493 /nfs/dbraw/zinc/57/54/93/1029575493.db2.gz JSGWWTPNWUHIHA-QGZVFWFLSA-N 1 1 345.899 4.092 20 30 EIEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCCc1cc(-c2ccccc2)no1 ZINC000446844118 1029608415 /nfs/dbraw/zinc/60/84/15/1029608415.db2.gz RPGLTOMUGZTION-UHFFFAOYSA-N 1 1 348.421 4.397 20 30 EIEDMO CCC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000441186714 1029685240 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339.527 4.349 20 30 EIEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453292662 1031810449 /nfs/dbraw/zinc/81/04/49/1031810449.db2.gz OGPIFXUJWUPIFG-RXZUFOQRSA-N 1 1 337.511 4.102 20 30 EIEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528743619 1031821281 /nfs/dbraw/zinc/82/12/81/1031821281.db2.gz HANWVKPAVLXPMR-LJQANCHMSA-N 1 1 344.474 4.494 20 30 EIEDMO COc1cccc(C[C@@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000528752649 1031829194 /nfs/dbraw/zinc/82/91/94/1031829194.db2.gz YOUREXNNEHRASJ-KRWDZBQOSA-N 1 1 341.480 4.011 20 30 EIEDMO Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)[nH+]1 ZINC000532681155 1031938735 /nfs/dbraw/zinc/93/87/35/1031938735.db2.gz ZSMSAIVUPWGOLU-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCOC1 ZINC000532016944 1031981147 /nfs/dbraw/zinc/98/11/47/1031981147.db2.gz FRDDIYNWJNXQBU-CYBMUJFWSA-N 1 1 342.252 4.003 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245457446 1033361324 /nfs/dbraw/zinc/36/13/24/1033361324.db2.gz UIAUHEWWZCZREW-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245457446 1033361330 /nfs/dbraw/zinc/36/13/30/1033361330.db2.gz UIAUHEWWZCZREW-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C=C(C)C[N@H+](CCc1cccc(F)c1F)Cc1cnn(C(C)C)c1 ZINC000512561861 1033370712 /nfs/dbraw/zinc/37/07/12/1033370712.db2.gz MWMQQYUTAKORFA-UHFFFAOYSA-N 1 1 333.426 4.363 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000429845257 1033397658 /nfs/dbraw/zinc/39/76/58/1033397658.db2.gz MTXYZLCAEUCHKC-QGZVFWFLSA-N 1 1 328.500 4.280 20 30 EIEDMO Cc1nc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)nc2ccccc12 ZINC000573626787 1033410224 /nfs/dbraw/zinc/41/02/24/1033410224.db2.gz SYENHIDCYUOFRK-HXUWFJFHSA-N 1 1 342.446 4.367 20 30 EIEDMO CCC[N@H+](Cc1csc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000894100674 1033504167 /nfs/dbraw/zinc/50/41/67/1033504167.db2.gz JWEPKYCSQMLKQH-HNNXBMFYSA-N 1 1 341.480 4.167 20 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/nfs/dbraw/zinc/67/51/19/1033675119.db2.gz QONPRDMYWXAJRR-KRWDZBQOSA-N 1 1 334.467 4.228 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000433028320 1033690890 /nfs/dbraw/zinc/69/08/90/1033690890.db2.gz BVDZQRHDCOVFMR-INIZCTEOSA-N 1 1 338.436 4.323 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236021 1033870779 /nfs/dbraw/zinc/87/07/79/1033870779.db2.gz WKOMKQBFUTXQNU-MJGOQNOKSA-N 1 1 344.462 4.381 20 30 EIEDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](C)C#N ZINC000509782552 1033876432 /nfs/dbraw/zinc/87/64/32/1033876432.db2.gz MUERFFXMFLATRE-ZDUSSCGKSA-N 1 1 329.425 4.305 20 30 EIEDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](C)C#N ZINC000509782552 1033876435 /nfs/dbraw/zinc/87/64/35/1033876435.db2.gz MUERFFXMFLATRE-ZDUSSCGKSA-N 1 1 329.425 4.305 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC ZINC000509818905 1034050591 /nfs/dbraw/zinc/05/05/91/1034050591.db2.gz IXCAPRIXTCFIQF-KRWDZBQOSA-N 1 1 342.439 4.284 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC ZINC000509818905 1034050598 /nfs/dbraw/zinc/05/05/98/1034050598.db2.gz IXCAPRIXTCFIQF-KRWDZBQOSA-N 1 1 342.439 4.284 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000512845232 1034064991 /nfs/dbraw/zinc/06/49/91/1034064991.db2.gz RXIPGCMHUGLWSJ-MRXNPFEDSA-N 1 1 342.389 4.286 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433298334 1034191097 /nfs/dbraw/zinc/19/10/97/1034191097.db2.gz ZALICUDMXNWDRC-IBGZPJMESA-N 1 1 340.854 4.205 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C#N ZINC000433301247 1034194808 /nfs/dbraw/zinc/19/48/08/1034194808.db2.gz GVLHPWWDAMMIQF-UHFFFAOYSA-N 1 1 335.451 4.164 20 30 EIEDMO CC(C)(CC#N)C[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000419350036 1034396730 /nfs/dbraw/zinc/39/67/30/1034396730.db2.gz NKAMRJWZEHGGBX-GOSISDBHSA-N 1 1 339.414 4.035 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000614402785 1034551143 /nfs/dbraw/zinc/55/11/43/1034551143.db2.gz IWOQIPWWGNEXES-UHFFFAOYSA-N 1 1 328.419 4.032 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000614402893 1034551315 /nfs/dbraw/zinc/55/13/15/1034551315.db2.gz OQDOODODMCEYAV-QFIPXVFZSA-N 1 1 327.431 4.273 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000614402893 1034551330 /nfs/dbraw/zinc/55/13/30/1034551330.db2.gz OQDOODODMCEYAV-QFIPXVFZSA-N 1 1 327.431 4.273 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000614402831 1034551813 /nfs/dbraw/zinc/55/18/13/1034551813.db2.gz KWDADQXBFQMRSJ-KRWDZBQOSA-N 1 1 335.451 4.106 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000614405682 1034554294 /nfs/dbraw/zinc/55/42/94/1034554294.db2.gz BNZBHOPVBZXSFE-RTWAWAEBSA-N 1 1 338.426 4.358 20 30 EIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267277 1034767995 /nfs/dbraw/zinc/76/79/95/1034767995.db2.gz OYVFNTNEROJFIB-YWZLYKJASA-N 1 1 336.435 4.470 20 30 EIEDMO N#Cc1ccccc1N1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000513650813 1035079318 /nfs/dbraw/zinc/07/93/18/1035079318.db2.gz RVAKXWPJUJLBDB-UHFFFAOYSA-N 1 1 348.837 4.086 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000501199545 1035397012 /nfs/dbraw/zinc/39/70/12/1035397012.db2.gz BBZMJWKYQDQILW-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000501199545 1035397017 /nfs/dbraw/zinc/39/70/17/1035397017.db2.gz BBZMJWKYQDQILW-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000513713033 1035437352 /nfs/dbraw/zinc/43/73/52/1035437352.db2.gz JDOBNFITJCGGJV-UHFFFAOYSA-N 1 1 330.863 4.492 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000513713033 1035437356 /nfs/dbraw/zinc/43/73/56/1035437356.db2.gz JDOBNFITJCGGJV-UHFFFAOYSA-N 1 1 330.863 4.492 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000501419942 1035441456 /nfs/dbraw/zinc/44/14/56/1035441456.db2.gz HPLVFLVBZILVEN-MRXNPFEDSA-N 1 1 340.467 4.016 20 30 EIEDMO C=CC1CCN(c2cc(C)nc([C@@H](C)[NH+]3CCC(C=C)CC3)n2)CC1 ZINC000501536054 1035461764 /nfs/dbraw/zinc/46/17/64/1035461764.db2.gz XYIZCIHQDZHPKM-QGZVFWFLSA-N 1 1 340.515 4.146 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021954 1035511207 /nfs/dbraw/zinc/51/12/07/1035511207.db2.gz ZVECJYWIFIDKCC-AWEZNQCLSA-N 1 1 342.395 4.019 20 30 EIEDMO CCOc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1OC(F)F ZINC000594994327 1035521292 /nfs/dbraw/zinc/52/12/92/1035521292.db2.gz KPGGDNOKGCTTSF-UHFFFAOYSA-N 1 1 338.398 4.250 20 30 EIEDMO CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001580 1035523064 /nfs/dbraw/zinc/52/30/64/1035523064.db2.gz XHYXCHADZALLDE-FQEVSTJZSA-N 1 1 339.527 4.208 20 30 EIEDMO Cc1ccccc1[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000485013165 1035581672 /nfs/dbraw/zinc/58/16/72/1035581672.db2.gz OLJOETDRRFGNQN-IBGZPJMESA-N 1 1 333.479 4.136 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3nsc4ccccc34)CC2)c1 ZINC000595300860 1035626956 /nfs/dbraw/zinc/62/69/56/1035626956.db2.gz AXKUAECUKMTKFB-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000595355592 1035669541 /nfs/dbraw/zinc/66/95/41/1035669541.db2.gz CSJMHOKRXIHWMV-SFHVURJKSA-N 1 1 331.419 4.122 20 30 EIEDMO Cc1c[nH+]ccc1OC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595460965 1035681607 /nfs/dbraw/zinc/68/16/07/1035681607.db2.gz IVUBSFOFQGBPOX-SFHVURJKSA-N 1 1 341.842 4.152 20 30 EIEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617434 1035739245 /nfs/dbraw/zinc/73/92/45/1035739245.db2.gz ZTPAOEDRJCXUPE-OLZOCXBDSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617434 1035739266 /nfs/dbraw/zinc/73/92/66/1035739266.db2.gz ZTPAOEDRJCXUPE-OLZOCXBDSA-N 1 1 330.819 4.077 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000761123338 1035740236 /nfs/dbraw/zinc/74/02/36/1035740236.db2.gz KYRTYVTXMBVZKZ-FCHUYYIVSA-N 1 1 334.463 4.079 20 30 EIEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1)c1cccc2ccccc21 ZINC000595614394 1035748003 /nfs/dbraw/zinc/74/80/03/1035748003.db2.gz HJMZHALZFUXEJE-BZSNNMDCSA-N 1 1 349.478 4.031 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000595765614 1035779735 /nfs/dbraw/zinc/77/97/35/1035779735.db2.gz MGULVKVGFMYOQE-OAHLLOKOSA-N 1 1 345.512 4.163 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747888 1035780666 /nfs/dbraw/zinc/78/06/66/1035780666.db2.gz OHBNUILVNPPTBM-RBBKRZOGSA-N 1 1 348.490 4.086 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1F ZINC000595753716 1035784183 /nfs/dbraw/zinc/78/41/83/1035784183.db2.gz SQZCBSXFSNOSDA-SFHVURJKSA-N 1 1 346.446 4.072 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595840235 1035797217 /nfs/dbraw/zinc/79/72/17/1035797217.db2.gz POPIMHWKDNFAFO-MRXNPFEDSA-N 1 1 326.362 4.100 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)ccn1 ZINC000586773533 1035834865 /nfs/dbraw/zinc/83/48/65/1035834865.db2.gz TYVUFACVBIYWCM-UHFFFAOYSA-N 1 1 345.368 4.384 20 30 EIEDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Br)c1 ZINC000586778281 1035836877 /nfs/dbraw/zinc/83/68/77/1035836877.db2.gz BRYKDZKQBUPZTI-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO CC[N@H+](Cc1csc(N(C)C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000156600730 1036057857 /nfs/dbraw/zinc/05/78/57/1036057857.db2.gz XKWNJJKFHBQFAP-AWEZNQCLSA-N 1 1 340.496 4.196 20 30 EIEDMO CC[N@@H+](Cc1csc(N(C)C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000156600730 1036057879 /nfs/dbraw/zinc/05/78/79/1036057879.db2.gz XKWNJJKFHBQFAP-AWEZNQCLSA-N 1 1 340.496 4.196 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)cc2)CC1 ZINC000596980893 1036065533 /nfs/dbraw/zinc/06/55/33/1036065533.db2.gz WHVCSBIYCIBONT-UHFFFAOYSA-N 1 1 330.431 4.237 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1 ZINC000055449096 1036069792 /nfs/dbraw/zinc/06/97/92/1036069792.db2.gz ICPNTCLUNCXXNV-MRXNPFEDSA-N 1 1 325.456 4.083 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)cc2)CC1 ZINC000597000607 1036078017 /nfs/dbraw/zinc/07/80/17/1036078017.db2.gz OCIJYBIFQULMJM-FQEVSTJZSA-N 1 1 336.435 4.016 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088702 1036103835 /nfs/dbraw/zinc/10/38/35/1036103835.db2.gz MOAJPXVGMAFFOJ-IBGZPJMESA-N 1 1 336.435 4.318 20 30 EIEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OCC(C)C ZINC000597173311 1036140484 /nfs/dbraw/zinc/14/04/84/1036140484.db2.gz IHQJGROLEZCWRS-QGZVFWFLSA-N 1 1 330.472 4.246 20 30 EIEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000597193876 1036141776 /nfs/dbraw/zinc/14/17/76/1036141776.db2.gz KLHVKVTVSZKGEX-UHFFFAOYSA-N 1 1 331.213 4.055 20 30 EIEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OCC(C)C ZINC000597173310 1036143288 /nfs/dbraw/zinc/14/32/88/1036143288.db2.gz IHQJGROLEZCWRS-KRWDZBQOSA-N 1 1 330.472 4.246 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000597186147 1036152943 /nfs/dbraw/zinc/15/29/43/1036152943.db2.gz BZNJYJPHFHFSCR-GOSISDBHSA-N 1 1 334.467 4.252 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000502451268 1036219829 /nfs/dbraw/zinc/21/98/29/1036219829.db2.gz RDBYPSXCQZUFMK-INIZCTEOSA-N 1 1 340.492 4.424 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000502451268 1036219860 /nfs/dbraw/zinc/21/98/60/1036219860.db2.gz RDBYPSXCQZUFMK-INIZCTEOSA-N 1 1 340.492 4.424 20 30 EIEDMO Cc1cnn(CCCCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502516782 1036304717 /nfs/dbraw/zinc/30/47/17/1036304717.db2.gz OEGZLWYBDMVXMF-UHFFFAOYSA-N 1 1 334.467 4.023 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)c1F ZINC000485886136 1036353736 /nfs/dbraw/zinc/35/37/36/1036353736.db2.gz YNGJXKVKPZJKKH-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO N#Cc1cccc([C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CCO2)c1 ZINC000761239565 1036358361 /nfs/dbraw/zinc/35/83/61/1036358361.db2.gz GEWJBOBZZYCJQR-HXUWFJFHSA-N 1 1 349.821 4.338 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480756 1036463485 /nfs/dbraw/zinc/46/34/85/1036463485.db2.gz XWNUIVBWYRVUFO-RYUDHWBXSA-N 1 1 331.407 4.281 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681837 1036569501 /nfs/dbraw/zinc/56/95/01/1036569501.db2.gz NBXGILSVCAEQDS-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681837 1036569517 /nfs/dbraw/zinc/56/95/17/1036569517.db2.gz NBXGILSVCAEQDS-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO C[C@@H](CCC#N)C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000602715527 1036585461 /nfs/dbraw/zinc/58/54/61/1036585461.db2.gz OEPJVGDUHNFASZ-NSHDSACASA-N 1 1 331.204 4.070 20 30 EIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602791956 1036624711 /nfs/dbraw/zinc/62/47/11/1036624711.db2.gz YVCZIUZPCOAPCM-KRWDZBQOSA-N 1 1 336.483 4.490 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000060876343 1036626071 /nfs/dbraw/zinc/62/60/71/1036626071.db2.gz GIQNLLPOKGCDBF-QFIPXVFZSA-N 1 1 333.479 4.217 20 30 EIEDMO CC(C)[N@H+](Cc1nnc(-c2ccccc2Cl)o1)CC1(CC#N)CC1 ZINC000602802301 1036628392 /nfs/dbraw/zinc/62/83/92/1036628392.db2.gz XXFBARQVGPYQGZ-UHFFFAOYSA-N 1 1 344.846 4.294 20 30 EIEDMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)CC1(CC#N)CC1 ZINC000602802301 1036628397 /nfs/dbraw/zinc/62/83/97/1036628397.db2.gz XXFBARQVGPYQGZ-UHFFFAOYSA-N 1 1 344.846 4.294 20 30 EIEDMO N#CC1(CC[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCCCC1 ZINC000602885651 1036659278 /nfs/dbraw/zinc/65/92/78/1036659278.db2.gz ZHUZLKTZSXKQGP-SFHVURJKSA-N 1 1 334.467 4.283 20 30 EIEDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974925 1036692963 /nfs/dbraw/zinc/69/29/63/1036692963.db2.gz VYNAIYBETOTXBB-AZUAARDMSA-N 1 1 333.435 4.063 20 30 EIEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974925 1036692973 /nfs/dbraw/zinc/69/29/73/1036692973.db2.gz VYNAIYBETOTXBB-AZUAARDMSA-N 1 1 333.435 4.063 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502908115 1036777040 /nfs/dbraw/zinc/77/70/40/1036777040.db2.gz YYJUNSVDWDCNKU-KRWDZBQOSA-N 1 1 335.451 4.188 20 30 EIEDMO CC(C)c1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c2ccccn21 ZINC000593622504 1036786279 /nfs/dbraw/zinc/78/62/79/1036786279.db2.gz YGPSJGWTBUYFAW-GOSISDBHSA-N 1 1 330.435 4.106 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(C(F)(F)F)c1 ZINC000589496297 1036802461 /nfs/dbraw/zinc/80/24/61/1036802461.db2.gz IQBJZPDRTLZWLL-KRWDZBQOSA-N 1 1 331.341 4.309 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(C(F)(F)F)c1 ZINC000589496297 1036802462 /nfs/dbraw/zinc/80/24/62/1036802462.db2.gz IQBJZPDRTLZWLL-KRWDZBQOSA-N 1 1 331.341 4.309 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc2ccc(Cl)cc2n1C ZINC000421874454 1036829349 /nfs/dbraw/zinc/82/93/49/1036829349.db2.gz IJMHAKQOQRMTGZ-JTQLQIEISA-N 1 1 330.844 4.011 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000668676322 1036840497 /nfs/dbraw/zinc/84/04/97/1036840497.db2.gz ZMMKVMSBMOYFTE-HXUWFJFHSA-N 1 1 339.435 4.198 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000668676322 1036840506 /nfs/dbraw/zinc/84/05/06/1036840506.db2.gz ZMMKVMSBMOYFTE-HXUWFJFHSA-N 1 1 339.435 4.198 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)n(C)n1 ZINC000599042779 1036854451 /nfs/dbraw/zinc/85/44/51/1036854451.db2.gz FRALGKHYEFKNAN-FOIQADDNSA-N 1 1 342.446 4.297 20 30 EIEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808379 1036859814 /nfs/dbraw/zinc/85/98/14/1036859814.db2.gz BSJFJIWQEMDEOA-CXAGYDPISA-N 1 1 333.863 4.051 20 30 EIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503074656 1036892771 /nfs/dbraw/zinc/89/27/71/1036892771.db2.gz OUXQCQJFBMVSQK-HNNXBMFYSA-N 1 1 341.480 4.249 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000589984941 1036924308 /nfs/dbraw/zinc/92/43/08/1036924308.db2.gz LHXCWGWTBGLKIG-OAHLLOKOSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000589984941 1036924323 /nfs/dbraw/zinc/92/43/23/1036924323.db2.gz LHXCWGWTBGLKIG-OAHLLOKOSA-N 1 1 335.382 4.218 20 30 EIEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C#N ZINC000599276959 1036933175 /nfs/dbraw/zinc/93/31/75/1036933175.db2.gz HALUILSWXKOWQS-RBBKRZOGSA-N 1 1 334.463 4.466 20 30 EIEDMO Cc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1C ZINC000183710875 1037034799 /nfs/dbraw/zinc/03/47/99/1037034799.db2.gz XNNWGPHLLGMVHK-OAHLLOKOSA-N 1 1 332.407 4.076 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526779 1037058472 /nfs/dbraw/zinc/05/84/72/1037058472.db2.gz RSMQWEJWKIYECA-WFASDCNBSA-N 1 1 339.302 4.308 20 30 EIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000590750237 1037154131 /nfs/dbraw/zinc/15/41/31/1037154131.db2.gz IFRLERSEWFFMCS-LJQANCHMSA-N 1 1 342.870 4.307 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(-c2ccccc2)n1C ZINC000590778486 1037164115 /nfs/dbraw/zinc/16/41/15/1037164115.db2.gz MHTQZPUZFUHGJQ-YWZLYKJASA-N 1 1 342.446 4.297 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488109875 1037359532 /nfs/dbraw/zinc/35/95/32/1037359532.db2.gz KWBKCIGJCQLTOI-FQEVSTJZSA-N 1 1 344.462 4.189 20 30 EIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000604416130 1037383671 /nfs/dbraw/zinc/38/36/71/1037383671.db2.gz HJQVLRSKZZWPFJ-UHFFFAOYSA-N 1 1 328.431 4.134 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000488168861 1037388768 /nfs/dbraw/zinc/38/87/68/1037388768.db2.gz QUVWVMRZHZODQK-HNNXBMFYSA-N 1 1 338.377 4.114 20 30 EIEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000604483189 1037396158 /nfs/dbraw/zinc/39/61/58/1037396158.db2.gz CUYIEHXIXRADBZ-MRXNPFEDSA-N 1 1 349.453 4.113 20 30 EIEDMO CCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccc(C)o1 ZINC000604500701 1037414950 /nfs/dbraw/zinc/41/49/50/1037414950.db2.gz JIAAQAHSGUFSFG-KRWDZBQOSA-N 1 1 345.487 4.094 20 30 EIEDMO CCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccc(C)o1 ZINC000604500701 1037414970 /nfs/dbraw/zinc/41/49/70/1037414970.db2.gz JIAAQAHSGUFSFG-KRWDZBQOSA-N 1 1 345.487 4.094 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760845089 1037517328 /nfs/dbraw/zinc/51/73/28/1037517328.db2.gz SYPOZKDEVDQHLU-UHFFFAOYSA-N 1 1 331.460 4.405 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760845089 1037517371 /nfs/dbraw/zinc/51/73/71/1037517371.db2.gz SYPOZKDEVDQHLU-UHFFFAOYSA-N 1 1 331.460 4.405 20 30 EIEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000488325769 1037532333 /nfs/dbraw/zinc/53/23/33/1037532333.db2.gz PMRWCSOCHKWUFV-IEBWSBKVSA-N 1 1 328.500 4.006 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)C1 ZINC000046156344 1037712166 /nfs/dbraw/zinc/71/21/66/1037712166.db2.gz YDTFRCFUEWKZAP-QGZVFWFLSA-N 1 1 347.462 4.237 20 30 EIEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704521 1037718017 /nfs/dbraw/zinc/71/80/17/1037718017.db2.gz SHLOECJIGLNMJR-NYVOZVTQSA-N 1 1 348.490 4.298 20 30 EIEDMO CC(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000592100705 1037731391 /nfs/dbraw/zinc/73/13/91/1037731391.db2.gz ZWMHRGGHAUUUBA-KRWDZBQOSA-N 1 1 333.357 4.459 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592145323 1037739605 /nfs/dbraw/zinc/73/96/05/1037739605.db2.gz SPXHQCFLNGPYOZ-HNNXBMFYSA-N 1 1 347.528 4.245 20 30 EIEDMO Cc1ccccc1C1([NH2+]Cc2ccc(Br)cc2C#N)CC1 ZINC000592139450 1037743580 /nfs/dbraw/zinc/74/35/80/1037743580.db2.gz HBUAAALFHQHUIE-UHFFFAOYSA-N 1 1 341.252 4.408 20 30 EIEDMO CCCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ncsc2C1 ZINC000592187207 1037781453 /nfs/dbraw/zinc/78/14/53/1037781453.db2.gz IFFPECCJKWTELL-QGZVFWFLSA-N 1 1 325.481 4.174 20 30 EIEDMO COc1sc(C[NH+]2CCC(CCC#N)CC2)cc1Br ZINC000592517289 1037823995 /nfs/dbraw/zinc/82/39/95/1037823995.db2.gz WARVLIRTKXYKBO-UHFFFAOYSA-N 1 1 343.290 4.035 20 30 EIEDMO Cc1ccc(C[N@H+](Cc2cccc(OCCCC#N)c2)CC2CC2)cn1 ZINC000592525407 1037826188 /nfs/dbraw/zinc/82/61/88/1037826188.db2.gz LMIILXPNHLIQEI-UHFFFAOYSA-N 1 1 349.478 4.485 20 30 EIEDMO C=C1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001127209095 1037883455 /nfs/dbraw/zinc/88/34/55/1037883455.db2.gz RXTDUIJVPUDSRG-QUCCMNQESA-N 1 1 340.511 4.150 20 30 EIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075747027 1038067480 /nfs/dbraw/zinc/06/74/80/1038067480.db2.gz LHRQYEXCENLANL-QGZVFWFLSA-N 1 1 338.455 4.256 20 30 EIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250832 1038082759 /nfs/dbraw/zinc/08/27/59/1038082759.db2.gz VPVHPJVEJYXFCN-VLIAUNLRSA-N 1 1 325.431 4.171 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000489503958 1038090290 /nfs/dbraw/zinc/09/02/90/1038090290.db2.gz ZUUUMPXLTVNFCY-INIZCTEOSA-N 1 1 340.423 4.059 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000489503958 1038090298 /nfs/dbraw/zinc/09/02/98/1038090298.db2.gz ZUUUMPXLTVNFCY-INIZCTEOSA-N 1 1 340.423 4.059 20 30 EIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000592501483 1038090618 /nfs/dbraw/zinc/09/06/18/1038090618.db2.gz BZOAFIWUVBWGDI-HXUWFJFHSA-N 1 1 345.450 4.061 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287285 1038209167 /nfs/dbraw/zinc/20/91/67/1038209167.db2.gz GWTWFZATPGGKRM-UHFFFAOYSA-N 1 1 348.349 4.384 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287285 1038209187 /nfs/dbraw/zinc/20/91/87/1038209187.db2.gz GWTWFZATPGGKRM-UHFFFAOYSA-N 1 1 348.349 4.384 20 30 EIEDMO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528804 1038289956 /nfs/dbraw/zinc/28/99/56/1038289956.db2.gz GIEMUBOBCDAOHO-CYBMUJFWSA-N 1 1 340.377 4.496 20 30 EIEDMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528804 1038289969 /nfs/dbraw/zinc/28/99/69/1038289969.db2.gz GIEMUBOBCDAOHO-CYBMUJFWSA-N 1 1 340.377 4.496 20 30 EIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000592755773 1038336210 /nfs/dbraw/zinc/33/62/10/1038336210.db2.gz YCLIBTCEEXWGOZ-FQEVSTJZSA-N 1 1 349.434 4.082 20 30 EIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000592755773 1038336227 /nfs/dbraw/zinc/33/62/27/1038336227.db2.gz YCLIBTCEEXWGOZ-FQEVSTJZSA-N 1 1 349.434 4.082 20 30 EIEDMO C[C@H](C#N)C[N@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000490405900 1038629069 /nfs/dbraw/zinc/62/90/69/1038629069.db2.gz XNHWGPOAUTVZIL-GFCCVEGCSA-N 1 1 344.256 4.121 20 30 EIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000490405900 1038629082 /nfs/dbraw/zinc/62/90/82/1038629082.db2.gz XNHWGPOAUTVZIL-GFCCVEGCSA-N 1 1 344.256 4.121 20 30 EIEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000424331858 1038808880 /nfs/dbraw/zinc/80/88/80/1038808880.db2.gz BBWTYVPHJSALQK-GOSISDBHSA-N 1 1 348.406 4.009 20 30 EIEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000063751150 1038815537 /nfs/dbraw/zinc/81/55/37/1038815537.db2.gz LPDXSCDLZHNUOL-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000063751150 1038815538 /nfs/dbraw/zinc/81/55/38/1038815538.db2.gz LPDXSCDLZHNUOL-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(Cl)cc1C#N ZINC000461940206 1038839723 /nfs/dbraw/zinc/83/97/23/1038839723.db2.gz FOBQCPATYKHROH-UHFFFAOYSA-N 1 1 337.814 4.423 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc(OC)c1O ZINC000470130973 1038899402 /nfs/dbraw/zinc/89/94/02/1038899402.db2.gz FIWMUGRLNLBYLI-HNNXBMFYSA-N 1 1 343.389 4.292 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccccc4)CCCC3)o2)c1 ZINC000539298416 1038927280 /nfs/dbraw/zinc/92/72/80/1038927280.db2.gz QRTUFRIHSVKKKG-UHFFFAOYSA-N 1 1 344.418 4.167 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000481028199 1038968382 /nfs/dbraw/zinc/96/83/82/1038968382.db2.gz YCDRGEVMCSCBTP-HNNXBMFYSA-N 1 1 326.827 4.113 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000481028199 1038968408 /nfs/dbraw/zinc/96/84/08/1038968408.db2.gz YCDRGEVMCSCBTP-HNNXBMFYSA-N 1 1 326.827 4.113 20 30 EIEDMO C=CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000119682874 1038991163 /nfs/dbraw/zinc/99/11/63/1038991163.db2.gz RKKHTAXUOAIYJZ-CYBMUJFWSA-N 1 1 331.847 4.273 20 30 EIEDMO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000555334210 1039067624 /nfs/dbraw/zinc/06/76/24/1039067624.db2.gz PZWVNAQRFQZPPX-RISCZKNCSA-N 1 1 325.225 4.102 20 30 EIEDMO CC[C@](C)([NH2+]Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000152656088 1039159909 /nfs/dbraw/zinc/15/99/09/1039159909.db2.gz IXDKEZZLMUJGOO-SFHVURJKSA-N 1 1 329.469 4.241 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[C@@H](C(=O)OC)C2(C)C)cc1 ZINC001168340222 1039246086 /nfs/dbraw/zinc/24/60/86/1039246086.db2.gz GDKOTSMOYBXZBY-OTWHNJEPSA-N 1 1 342.483 4.009 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481348884 1039332986 /nfs/dbraw/zinc/33/29/86/1039332986.db2.gz QVEUYHOMFSPAHH-FQEVSTJZSA-N 1 1 349.478 4.497 20 30 EIEDMO N#CCCn1cc(C[N@@H+]2CCCC(F)(F)CC2)c(-c2ccccc2)n1 ZINC000600189063 1039350820 /nfs/dbraw/zinc/35/08/20/1039350820.db2.gz RPDCYSLLCKYZML-UHFFFAOYSA-N 1 1 344.409 4.085 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364504 /nfs/dbraw/zinc/36/45/04/1039364504.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364515 /nfs/dbraw/zinc/36/45/15/1039364515.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364524 /nfs/dbraw/zinc/36/45/24/1039364524.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364531 /nfs/dbraw/zinc/36/45/31/1039364531.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 1 1 336.907 4.067 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000924700243 1039522412 /nfs/dbraw/zinc/52/24/12/1039522412.db2.gz MHEDWLWEMFOHGW-SNVBAGLBSA-N 1 1 339.748 4.476 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1F)c1ccc(F)c(F)c1 ZINC000481608321 1039618157 /nfs/dbraw/zinc/61/81/57/1039618157.db2.gz LZPBGNXIFHJVFQ-LJQANCHMSA-N 1 1 348.368 4.258 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093100817 1039626058 /nfs/dbraw/zinc/62/60/58/1039626058.db2.gz PKPUACLYEOUDGV-UHFFFAOYSA-N 1 1 332.398 4.117 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093100817 1039626073 /nfs/dbraw/zinc/62/60/73/1039626073.db2.gz PKPUACLYEOUDGV-UHFFFAOYSA-N 1 1 332.398 4.117 20 30 EIEDMO N#CCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1CC1 ZINC000093091508 1039627411 /nfs/dbraw/zinc/62/74/11/1039627411.db2.gz LRTIVGCTXUUVBU-UHFFFAOYSA-N 1 1 345.446 4.263 20 30 EIEDMO N#CCC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1CC1 ZINC000093091508 1039627430 /nfs/dbraw/zinc/62/74/30/1039627430.db2.gz LRTIVGCTXUUVBU-UHFFFAOYSA-N 1 1 345.446 4.263 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OC(F)F ZINC000093101197 1039632158 /nfs/dbraw/zinc/63/21/58/1039632158.db2.gz YLLFKMDIXWJHMX-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC(F)F ZINC000093101197 1039632216 /nfs/dbraw/zinc/63/22/16/1039632216.db2.gz YLLFKMDIXWJHMX-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000093315804 1039660006 /nfs/dbraw/zinc/66/00/06/1039660006.db2.gz LHBVBXZJOWUPOU-OAHLLOKOSA-N 1 1 327.424 4.159 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364965 1039667804 /nfs/dbraw/zinc/66/78/04/1039667804.db2.gz NOSRDWFKAONKPL-UGSOOPFHSA-N 1 1 341.480 4.252 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445091 1039699883 /nfs/dbraw/zinc/69/98/83/1039699883.db2.gz XNDYDZYNIZBLKK-OAQYLSRUSA-N 1 1 335.451 4.410 20 30 EIEDMO C=C(C)COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OC ZINC000060927038 1039777511 /nfs/dbraw/zinc/77/75/11/1039777511.db2.gz CALUJFCHLWWECF-UHFFFAOYSA-N 1 1 346.515 4.004 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000537650185 1039830208 /nfs/dbraw/zinc/83/02/08/1039830208.db2.gz KWGGSWNRUYPUHH-KRWDZBQOSA-N 1 1 335.875 4.153 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675459 1039844871 /nfs/dbraw/zinc/84/48/71/1039844871.db2.gz YTHRIRBWEMXNIW-XMSQKQJNSA-N 1 1 334.463 4.343 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1OC ZINC000430107667 1039849090 /nfs/dbraw/zinc/84/90/90/1039849090.db2.gz SPOCUAPJBIWZEP-MSOLQXFVSA-N 1 1 337.410 4.127 20 30 EIEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000096965875 1039856340 /nfs/dbraw/zinc/85/63/40/1039856340.db2.gz BMPJXTBGZQEEMC-UHFFFAOYSA-N 1 1 345.446 4.260 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000537658565 1039868188 /nfs/dbraw/zinc/86/81/88/1039868188.db2.gz MISULBONBBIKTB-AWEZNQCLSA-N 1 1 337.206 4.111 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000537658565 1039868190 /nfs/dbraw/zinc/86/81/90/1039868190.db2.gz MISULBONBBIKTB-AWEZNQCLSA-N 1 1 337.206 4.111 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000434839934 1039881097 /nfs/dbraw/zinc/88/10/97/1039881097.db2.gz HJRZXMGQVXZQFE-SFHVURJKSA-N 1 1 339.439 4.180 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(F)cc1F ZINC000553006736 1039906649 /nfs/dbraw/zinc/90/66/49/1039906649.db2.gz QAWYGJCVIYVYPY-JTQLQIEISA-N 1 1 338.304 4.289 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551050070 1039917437 /nfs/dbraw/zinc/91/74/37/1039917437.db2.gz DGPFSUUOJHTRCP-RTWAWAEBSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000551050070 1039917459 /nfs/dbraw/zinc/91/74/59/1039917459.db2.gz DGPFSUUOJHTRCP-RTWAWAEBSA-N 1 1 336.479 4.177 20 30 EIEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000159878086 1040244526 /nfs/dbraw/zinc/24/45/26/1040244526.db2.gz NKBBZCAZXNORLC-UHFFFAOYSA-N 1 1 327.497 4.397 20 30 EIEDMO N#CCSCCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551426810 1040286884 /nfs/dbraw/zinc/28/68/84/1040286884.db2.gz GEURWRKPEQMKOZ-UHFFFAOYSA-N 1 1 342.533 4.364 20 30 EIEDMO CC[C@@H](C[N@@H+](CC)Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000482516899 1040312594 /nfs/dbraw/zinc/31/25/94/1040312594.db2.gz ZQHXGNQTFQZMRN-SFHVURJKSA-N 1 1 332.451 4.222 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccc(F)c(F)c1 ZINC000479411023 1040334617 /nfs/dbraw/zinc/33/46/17/1040334617.db2.gz PPPFIDURIQXGGQ-LJQANCHMSA-N 1 1 347.361 4.109 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000425363895 1040334581 /nfs/dbraw/zinc/33/45/81/1040334581.db2.gz DGSULNHLYMCPOK-AWEZNQCLSA-N 1 1 330.378 4.395 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000425364630 1040335440 /nfs/dbraw/zinc/33/54/40/1040335440.db2.gz GTXLDYISOBIMPG-CXAGYDPISA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000425364630 1040335460 /nfs/dbraw/zinc/33/54/60/1040335460.db2.gz GTXLDYISOBIMPG-CXAGYDPISA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000425365272 1040338871 /nfs/dbraw/zinc/33/88/71/1040338871.db2.gz JSGQDYQPCUEDCT-QGZVFWFLSA-N 1 1 333.435 4.434 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425375040 1040372041 /nfs/dbraw/zinc/37/20/41/1040372041.db2.gz RTKNBGVFKCSDML-HXUWFJFHSA-N 1 1 327.468 4.033 20 30 EIEDMO CC#CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000462315754 1040474746 /nfs/dbraw/zinc/47/47/46/1040474746.db2.gz QUSJFZNCZPLTQW-HXUWFJFHSA-N 1 1 341.476 4.126 20 30 EIEDMO CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000479563406 1040477009 /nfs/dbraw/zinc/47/70/09/1040477009.db2.gz BQIXCOKAJAAKKI-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000482865009 1040523131 /nfs/dbraw/zinc/52/31/31/1040523131.db2.gz JDHVPFVMDJBLLD-AWEZNQCLSA-N 1 1 345.414 4.259 20 30 EIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000462479549 1040657177 /nfs/dbraw/zinc/65/71/77/1040657177.db2.gz YAVFHXYLNZOYEH-KRWDZBQOSA-N 1 1 339.483 4.179 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCCc2nc(C)no2)C(C)(C)C)cc1 ZINC000477633787 1040676945 /nfs/dbraw/zinc/67/69/45/1040676945.db2.gz RSMLFCRBVDTXAM-UHFFFAOYSA-N 1 1 343.471 4.176 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1)C(C)C ZINC000609102717 1040740090 /nfs/dbraw/zinc/74/00/90/1040740090.db2.gz RWIKCHMBXCVGPQ-UHFFFAOYSA-N 1 1 339.414 4.180 20 30 EIEDMO CC1(C)C[C@H]([N@@H+](CCCSCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000539767087 1040768286 /nfs/dbraw/zinc/76/82/86/1040768286.db2.gz WUWAUCNIYYTRHD-SFHVURJKSA-N 1 1 346.540 4.482 20 30 EIEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293225 1040800908 /nfs/dbraw/zinc/80/09/08/1040800908.db2.gz IBVSEVPKTYFVJN-SCLBCKFNSA-N 1 1 347.384 4.499 20 30 EIEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)ccc1F ZINC000160885606 1040825616 /nfs/dbraw/zinc/82/56/16/1040825616.db2.gz MZAYFFLILVUULW-UHFFFAOYSA-N 1 1 346.352 4.019 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1OC(F)(F)F ZINC000483521622 1040884981 /nfs/dbraw/zinc/88/49/81/1040884981.db2.gz CTWHIEYKXINDPI-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1OC(F)(F)F ZINC000483521622 1040884988 /nfs/dbraw/zinc/88/49/88/1040884988.db2.gz CTWHIEYKXINDPI-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000467579491 1041085538 /nfs/dbraw/zinc/08/55/38/1041085538.db2.gz SVYGNVTYHJFENB-UTKZUKDTSA-N 1 1 328.500 4.137 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000462919749 1041087593 /nfs/dbraw/zinc/08/75/93/1041087593.db2.gz MQRVGMBPSVBCOQ-AWEZNQCLSA-N 1 1 343.833 4.234 20 30 EIEDMO N#Cc1cccc(Cl)c1NCCC[N@H+]1CCc2ccccc2C1 ZINC000462926562 1041106731 /nfs/dbraw/zinc/10/67/31/1041106731.db2.gz RHFCSOARLUWPMC-UHFFFAOYSA-N 1 1 325.843 4.072 20 30 EIEDMO CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741519 1041129493 /nfs/dbraw/zinc/12/94/93/1041129493.db2.gz WFYLDXRNQNBOBD-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741519 1041129516 /nfs/dbraw/zinc/12/95/16/1041129516.db2.gz WFYLDXRNQNBOBD-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505801643 1041160656 /nfs/dbraw/zinc/16/06/56/1041160656.db2.gz IZTZWBNLMGILHA-UHFFFAOYSA-N 1 1 341.386 4.264 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505801643 1041160687 /nfs/dbraw/zinc/16/06/87/1041160687.db2.gz IZTZWBNLMGILHA-UHFFFAOYSA-N 1 1 341.386 4.264 20 30 EIEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425538134 1041201802 /nfs/dbraw/zinc/20/18/02/1041201802.db2.gz ROHCUKVNWHCQNS-ZDUSSCGKSA-N 1 1 342.826 4.191 20 30 EIEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1F ZINC000538266862 1041221337 /nfs/dbraw/zinc/22/13/37/1041221337.db2.gz OOBBZVQTVZVXMG-UHFFFAOYSA-N 1 1 341.455 4.476 20 30 EIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1F ZINC000538266862 1041221353 /nfs/dbraw/zinc/22/13/53/1041221353.db2.gz OOBBZVQTVZVXMG-UHFFFAOYSA-N 1 1 341.455 4.476 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000538289098 1041225363 /nfs/dbraw/zinc/22/53/63/1041225363.db2.gz CPPSLXKJZVOHBI-BQFCYCMXSA-N 1 1 349.544 4.175 20 30 EIEDMO CCCCOc1ccccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554558016 1041241320 /nfs/dbraw/zinc/24/13/20/1041241320.db2.gz RRIVJCHCHHBRQO-UHFFFAOYSA-N 1 1 349.478 4.318 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCOCC)cc1 ZINC000783409397 1041284422 /nfs/dbraw/zinc/28/44/22/1041284422.db2.gz RVMIFAVXQVHLCW-UHFFFAOYSA-N 1 1 338.451 4.343 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(Cl)c1 ZINC000540328309 1041386700 /nfs/dbraw/zinc/38/67/00/1041386700.db2.gz OBTBIDLTZWCFGB-GOSISDBHSA-N 1 1 342.826 4.239 20 30 EIEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1C#N ZINC000463209495 1041422494 /nfs/dbraw/zinc/42/24/94/1041422494.db2.gz JOCNQOBLXKHKMW-QAJUQPOASA-N 1 1 326.484 4.018 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1OC ZINC000538567439 1041424386 /nfs/dbraw/zinc/42/43/86/1041424386.db2.gz AIJVMCQZBCUWNI-LJQANCHMSA-N 1 1 345.483 4.041 20 30 EIEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480717322 1041494534 /nfs/dbraw/zinc/49/45/34/1041494534.db2.gz MVMBCUCJLGCIOD-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480717322 1041494536 /nfs/dbraw/zinc/49/45/36/1041494536.db2.gz MVMBCUCJLGCIOD-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO Cc1ccc(C)c(Oc2ccc(C[NH2+]Cc3ccc(C#N)o3)cn2)c1 ZINC000540533016 1041524567 /nfs/dbraw/zinc/52/45/67/1041524567.db2.gz TUAKNZAUONKWQG-UHFFFAOYSA-N 1 1 333.391 4.245 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463453170 1041573796 /nfs/dbraw/zinc/57/37/96/1041573796.db2.gz DWCORYDAIREETC-CABCVRRESA-N 1 1 326.362 4.120 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000506022032 1041747061 /nfs/dbraw/zinc/74/70/61/1041747061.db2.gz OOGFTJWLIGKQGJ-IBGZPJMESA-N 1 1 343.492 4.494 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437430713 1041799335 /nfs/dbraw/zinc/79/93/35/1041799335.db2.gz XRQANVVRMNQMDX-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1cccc(O)c1 ZINC000437885550 1041943894 /nfs/dbraw/zinc/94/38/94/1041943894.db2.gz AERQFFBUFOVPDY-CYBMUJFWSA-N 1 1 346.377 4.448 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)c1C#N ZINC000517593759 1042086391 /nfs/dbraw/zinc/08/63/91/1042086391.db2.gz NPGFBHJKLHSOQH-OAHLLOKOSA-N 1 1 334.419 4.070 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)c1C#N ZINC000517593759 1042086399 /nfs/dbraw/zinc/08/63/99/1042086399.db2.gz NPGFBHJKLHSOQH-OAHLLOKOSA-N 1 1 334.419 4.070 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464655557 1042108494 /nfs/dbraw/zinc/10/84/94/1042108494.db2.gz IEGHABYLKGLDBC-NLWGTHIKSA-N 1 1 328.500 4.273 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000464658535 1042110797 /nfs/dbraw/zinc/11/07/97/1042110797.db2.gz VXEFQKBOYUMTIN-ROUUACIJSA-N 1 1 328.500 4.280 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000506219582 1042163498 /nfs/dbraw/zinc/16/34/98/1042163498.db2.gz MBRCTGAERKHXOA-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000506219582 1042163501 /nfs/dbraw/zinc/16/35/01/1042163501.db2.gz MBRCTGAERKHXOA-UHFFFAOYSA-N 1 1 336.229 4.239 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464838462 1042183378 /nfs/dbraw/zinc/18/33/78/1042183378.db2.gz ZVOMXVISLVJYBK-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464838462 1042183381 /nfs/dbraw/zinc/18/33/81/1042183381.db2.gz ZVOMXVISLVJYBK-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464838462 1042183385 /nfs/dbraw/zinc/18/33/85/1042183385.db2.gz ZVOMXVISLVJYBK-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464860778 1042205676 /nfs/dbraw/zinc/20/56/76/1042205676.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464860778 1042205685 /nfs/dbraw/zinc/20/56/85/1042205685.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860778 1042205691 /nfs/dbraw/zinc/20/56/91/1042205691.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860778 1042205696 /nfs/dbraw/zinc/20/56/96/1042205696.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 1 1 333.479 4.073 20 30 EIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000383067552 1042214797 /nfs/dbraw/zinc/21/47/97/1042214797.db2.gz HBNXHCWZURDTKO-QGZVFWFLSA-N 1 1 339.870 4.170 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656034 1042224723 /nfs/dbraw/zinc/22/47/23/1042224723.db2.gz QRQSTBMXBUYMSU-WMLDXEAASA-N 1 1 326.827 4.426 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326760 1042310906 /nfs/dbraw/zinc/31/09/06/1042310906.db2.gz MWYUBUWLQSAHRU-HNNXBMFYSA-N 1 1 341.451 4.331 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000438734039 1042322280 /nfs/dbraw/zinc/32/22/80/1042322280.db2.gz QMNBJRXFFZDUBK-OAQYLSRUSA-N 1 1 345.446 4.039 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000438833224 1042375757 /nfs/dbraw/zinc/37/57/57/1042375757.db2.gz GZOLNOQQZIJWFV-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000491355979 1042431121 /nfs/dbraw/zinc/43/11/21/1042431121.db2.gz JPWQLJHODHBANU-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000491355979 1042431124 /nfs/dbraw/zinc/43/11/24/1042431124.db2.gz JPWQLJHODHBANU-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(F)c1 ZINC000550010770 1042446800 /nfs/dbraw/zinc/44/68/00/1042446800.db2.gz XGFAZXPJPWKOIV-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(F)c1 ZINC000550010770 1042446812 /nfs/dbraw/zinc/44/68/12/1042446812.db2.gz XGFAZXPJPWKOIV-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)cc1 ZINC000491693373 1042492632 /nfs/dbraw/zinc/49/26/32/1042492632.db2.gz IZMSXYKCZDWCRM-LJQANCHMSA-N 1 1 349.821 4.386 20 30 EIEDMO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906963 1042498549 /nfs/dbraw/zinc/49/85/49/1042498549.db2.gz CKNAKYIPJPOKNG-MRXNPFEDSA-N 1 1 337.442 4.013 20 30 EIEDMO CC(C)COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000271966270 1042593108 /nfs/dbraw/zinc/59/31/08/1042593108.db2.gz SNGUXMVLGHMFAT-KBXCAEBGSA-N 1 1 330.403 4.355 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2c(F)cccc2N2CCCC2)C2CC2)cc1 ZINC000506553185 1042594722 /nfs/dbraw/zinc/59/47/22/1042594722.db2.gz VQWXLCDXDZFPMY-UHFFFAOYSA-N 1 1 349.453 4.462 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2c(F)cccc2N2CCCC2)C2CC2)cc1 ZINC000506553185 1042594733 /nfs/dbraw/zinc/59/47/33/1042594733.db2.gz VQWXLCDXDZFPMY-UHFFFAOYSA-N 1 1 349.453 4.462 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc(OC)c1O ZINC000426378205 1042620491 /nfs/dbraw/zinc/62/04/91/1042620491.db2.gz PJKGTJVUNXBEQN-UHFFFAOYSA-N 1 1 336.435 4.243 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439440293 1042626052 /nfs/dbraw/zinc/62/60/52/1042626052.db2.gz NRHSWUHUFHVEFM-SFHVURJKSA-N 1 1 325.843 4.288 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449442 1042635753 /nfs/dbraw/zinc/63/57/53/1042635753.db2.gz IQUOLFIHPNCMKY-KRWDZBQOSA-N 1 1 330.815 4.288 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449442 1042635776 /nfs/dbraw/zinc/63/57/76/1042635776.db2.gz IQUOLFIHPNCMKY-KRWDZBQOSA-N 1 1 330.815 4.288 20 30 EIEDMO CCc1oc(C(=O)OC)cc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000426398483 1042657321 /nfs/dbraw/zinc/65/73/21/1042657321.db2.gz WWPFMFVFNXGIKO-CQSZACIVSA-N 1 1 340.423 4.083 20 30 EIEDMO N#Cc1ccc(Br)c(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000492583933 1042702460 /nfs/dbraw/zinc/70/24/60/1042702460.db2.gz SJVJZPJGRKKELX-UHFFFAOYSA-N 1 1 327.225 4.100 20 30 EIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425113 1042851633 /nfs/dbraw/zinc/85/16/33/1042851633.db2.gz AFNDMDOKRHFNTI-HNNXBMFYSA-N 1 1 326.415 4.017 20 30 EIEDMO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441541557 1042880048 /nfs/dbraw/zinc/88/00/48/1042880048.db2.gz DPNLHZNQKYNWSB-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO N#CCCC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000520575520 1042902274 /nfs/dbraw/zinc/90/22/74/1042902274.db2.gz ROODOTLYKJHUAO-UHFFFAOYSA-N 1 1 328.790 4.457 20 30 EIEDMO C[C@H]1CC(NCc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005231 1042963709 /nfs/dbraw/zinc/96/37/09/1042963709.db2.gz IBGWXYNNPDDKTQ-ROUUACIJSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168005231 1042963718 /nfs/dbraw/zinc/96/37/18/1042963718.db2.gz IBGWXYNNPDDKTQ-ROUUACIJSA-N 1 1 333.479 4.089 20 30 EIEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000195315191 1043034731 /nfs/dbraw/zinc/03/47/31/1043034731.db2.gz SNWRMSPOVVHVFH-UHFFFAOYSA-N 1 1 342.405 4.107 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000183808410 1043061805 /nfs/dbraw/zinc/06/18/05/1043061805.db2.gz NEVGKPWBYJOBEB-UHFFFAOYSA-N 1 1 332.787 4.103 20 30 EIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388375 1043090249 /nfs/dbraw/zinc/09/02/49/1043090249.db2.gz SDKGAADSTLATAE-MJGOQNOKSA-N 1 1 347.462 4.073 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)c(O)c(OC)c1 ZINC000186863769 1043093206 /nfs/dbraw/zinc/09/32/06/1043093206.db2.gz BEGRQXLGPAGWOT-QGZVFWFLSA-N 1 1 344.480 4.231 20 30 EIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000112699435 1043138559 /nfs/dbraw/zinc/13/85/59/1043138559.db2.gz IWKQBWVSPNMXAQ-OAQYLSRUSA-N 1 1 335.451 4.216 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000054582803 1043157391 /nfs/dbraw/zinc/15/73/91/1043157391.db2.gz PBVDSGIKQJQKOX-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000054582803 1043157398 /nfs/dbraw/zinc/15/73/98/1043157398.db2.gz PBVDSGIKQJQKOX-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](CC)CC ZINC000765965038 1043282677 /nfs/dbraw/zinc/28/26/77/1043282677.db2.gz BRXCCNBQVUYFEQ-TZMCWYRMSA-N 1 1 349.887 4.246 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2cc(C)ccn12)c1ccc(F)c(F)c1 ZINC000187373654 1043345294 /nfs/dbraw/zinc/34/52/94/1043345294.db2.gz VBRBBBRWNIYNSG-LJQANCHMSA-N 1 1 327.378 4.328 20 30 EIEDMO C=CCCC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441906208 1043418478 /nfs/dbraw/zinc/41/84/78/1043418478.db2.gz SQFZUFZCCHHDKJ-UHFFFAOYSA-N 1 1 346.272 4.304 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1OC ZINC000520906143 1043432455 /nfs/dbraw/zinc/43/24/55/1043432455.db2.gz HSPSZLBYRZRPMH-AWEZNQCLSA-N 1 1 325.399 4.127 20 30 EIEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1c1ccccc1 ZINC000366893330 1043441341 /nfs/dbraw/zinc/44/13/41/1043441341.db2.gz GSNOGMWLFCMMCR-AZUAARDMSA-N 1 1 326.484 4.213 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000520918595 1043441871 /nfs/dbraw/zinc/44/18/71/1043441871.db2.gz IPGNUAINHBLZRR-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO Clc1ccc(C#CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000674249759 1043512794 /nfs/dbraw/zinc/51/27/94/1043512794.db2.gz INGUIFHEXNJBSD-FQEVSTJZSA-N 1 1 325.839 4.155 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000674249759 1043512803 /nfs/dbraw/zinc/51/28/03/1043512803.db2.gz INGUIFHEXNJBSD-FQEVSTJZSA-N 1 1 325.839 4.155 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211931 1043714739 /nfs/dbraw/zinc/71/47/39/1043714739.db2.gz JOEIMYDBLQOEEC-UHFFFAOYSA-N 1 1 333.435 4.119 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847789 1043834744 /nfs/dbraw/zinc/83/47/44/1043834744.db2.gz OJLMKXRWZNWFJW-UHFFFAOYSA-N 1 1 336.435 4.087 20 30 EIEDMO C=CC1CC[NH+](Cn2c(=S)n(-c3ccccc3)nc2C2CC2)CC1 ZINC000732181518 1043881431 /nfs/dbraw/zinc/88/14/31/1043881431.db2.gz XDQMYZAPTZDIBF-UHFFFAOYSA-N 1 1 340.496 4.136 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000732204674 1043888024 /nfs/dbraw/zinc/88/80/24/1043888024.db2.gz AGDLLXQWABEUSC-HNNXBMFYSA-N 1 1 328.378 4.001 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000732204674 1043888026 /nfs/dbraw/zinc/88/80/26/1043888026.db2.gz AGDLLXQWABEUSC-HNNXBMFYSA-N 1 1 328.378 4.001 20 30 EIEDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168014985 1043938434 /nfs/dbraw/zinc/93/84/34/1043938434.db2.gz NSWAWDDLTRDJCU-YWNDLMOBSA-N 1 1 325.500 4.100 20 30 EIEDMO C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC000229749143 1044010466 /nfs/dbraw/zinc/01/04/66/1044010466.db2.gz JKELGUUDHDBBTH-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C=CCN(CC=C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000193607757 1044089478 /nfs/dbraw/zinc/08/94/78/1044089478.db2.gz GOPZFDOIPAONRW-UHFFFAOYSA-N 1 1 338.455 4.261 20 30 EIEDMO N#CCc1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000543207032 1044128643 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C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800076 1044893533 /nfs/dbraw/zinc/89/35/33/1044893533.db2.gz AJQHUCBCONYTLU-ZHRRBRCNSA-N 1 1 346.430 4.119 20 30 EIEDMO C=C(Cl)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000736399068 1044930886 /nfs/dbraw/zinc/93/08/86/1044930886.db2.gz OQYDFZTUWJIBQU-UHFFFAOYSA-N 1 1 349.906 4.003 20 30 EIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000391625818 1044970385 /nfs/dbraw/zinc/97/03/85/1044970385.db2.gz IFELXAWKBJQXOE-QGZVFWFLSA-N 1 1 327.472 4.035 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268130 1045025282 /nfs/dbraw/zinc/02/52/82/1045025282.db2.gz XXGGIPPHBXCPSE-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268130 1045025297 /nfs/dbraw/zinc/02/52/97/1045025297.db2.gz XXGGIPPHBXCPSE-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268130 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ZINC000509107014 1045137593 /nfs/dbraw/zinc/13/75/93/1045137593.db2.gz GHWRUJBKEVDKEZ-JOCHJYFZSA-N 1 1 332.447 4.399 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000739887348 1045169200 /nfs/dbraw/zinc/16/92/00/1045169200.db2.gz BCPGAVZMADBPEI-NRFANRHFSA-N 1 1 345.450 4.247 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000739887348 1045169207 /nfs/dbraw/zinc/16/92/07/1045169207.db2.gz BCPGAVZMADBPEI-NRFANRHFSA-N 1 1 345.450 4.247 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000161895631 1045179602 /nfs/dbraw/zinc/17/96/02/1045179602.db2.gz ADQLIHUPVFYCBG-KDOFPFPSSA-N 1 1 349.400 4.030 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001272610547 1045210938 /nfs/dbraw/zinc/21/09/38/1045210938.db2.gz IGNVEAKWIFEAST-ZJOUEHCJSA-N 1 1 347.547 4.067 20 30 EIEDMO C[N@H+]1CC[C@H](C/N=C/c2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762435930 1045231991 /nfs/dbraw/zinc/23/19/91/1045231991.db2.gz IHCUZYJCJKFZNG-KVWARKDESA-N 1 1 346.833 4.297 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CC/C=C/c1ccc(Br)cc1)C1CC1 ZINC000611091288 1045252195 /nfs/dbraw/zinc/25/21/95/1045252195.db2.gz PXVVMKNACSBCPV-PMUGQKEBSA-N 1 1 333.273 4.476 20 30 EIEDMO C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1cccc(C#N)c1 ZINC000611388029 1045294028 /nfs/dbraw/zinc/29/40/28/1045294028.db2.gz JMIBFTIWTWKCOE-NSHDSACASA-N 1 1 345.233 4.364 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000611392242 1045297831 /nfs/dbraw/zinc/29/78/31/1045297831.db2.gz KWJDHISWZBRCBZ-FQEVSTJZSA-N 1 1 329.403 4.380 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000611393776 1045298447 /nfs/dbraw/zinc/29/84/47/1045298447.db2.gz YCMNMNQXWFEADL-QGZVFWFLSA-N 1 1 335.432 4.442 20 30 EIEDMO CC(C)C[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410778 1045304420 /nfs/dbraw/zinc/30/44/20/1045304420.db2.gz HBJZCFRXKFAUMA-UHFFFAOYSA-N 1 1 325.481 4.162 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(Br)ncc1F 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CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593748 1046876538 /nfs/dbraw/zinc/87/65/38/1046876538.db2.gz IUBPKQCFSSNDAO-INIZCTEOSA-N 1 1 347.462 4.069 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000497612513 1046890474 /nfs/dbraw/zinc/89/04/74/1046890474.db2.gz SCNZOVGVAXVMNP-AWEZNQCLSA-N 1 1 343.833 4.234 20 30 EIEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000746665506 1046974635 /nfs/dbraw/zinc/97/46/35/1046974635.db2.gz CKCNJFPZQXYMCE-HZPDHXFCSA-N 1 1 337.508 4.084 20 30 EIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000787322803 1046994911 /nfs/dbraw/zinc/99/49/11/1046994911.db2.gz TWUSYTLRLDUNAF-AWEZNQCLSA-N 1 1 346.780 4.405 20 30 EIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000787322803 1046994962 /nfs/dbraw/zinc/99/49/62/1046994962.db2.gz TWUSYTLRLDUNAF-AWEZNQCLSA-N 1 1 346.780 4.405 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203669 1047039115 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CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747443582 1047580505 /nfs/dbraw/zinc/58/05/05/1047580505.db2.gz OUTSCNKSKPEYSI-KRWDZBQOSA-N 1 1 336.545 4.437 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000918739239 1047632075 /nfs/dbraw/zinc/63/20/75/1047632075.db2.gz GYYLBXRIWXRONL-ZDUSSCGKSA-N 1 1 344.817 4.092 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000918739239 1047632082 /nfs/dbraw/zinc/63/20/82/1047632082.db2.gz GYYLBXRIWXRONL-ZDUSSCGKSA-N 1 1 344.817 4.092 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001171058422 1047878650 /nfs/dbraw/zinc/87/86/50/1047878650.db2.gz UMJLEWGIADJUJH-QGZVFWFLSA-N 1 1 344.499 4.482 20 30 EIEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000824854626 1047975681 /nfs/dbraw/zinc/97/56/81/1047975681.db2.gz BHDJTRKRLDYKSI-OAQYLSRUSA-N 1 1 334.463 4.106 20 30 EIEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(N)c1 ZINC000814828439 1048187956 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CC[N@@H+](CCOCCC#N)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000815069360 1048319047 /nfs/dbraw/zinc/31/90/47/1048319047.db2.gz SSWHYOFLCXTOGC-HXUWFJFHSA-N 1 1 326.415 4.167 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(OC)cc2)c1O ZINC000919937098 1048320107 /nfs/dbraw/zinc/32/01/07/1048320107.db2.gz WVOFYVPJDBDJPF-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC000919941176 1048324051 /nfs/dbraw/zinc/32/40/51/1048324051.db2.gz FPQJPAZWDOFFLI-UHFFFAOYSA-N 1 1 329.415 4.291 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000919952123 1048338342 /nfs/dbraw/zinc/33/83/42/1048338342.db2.gz RYXUMRAOUCFWPA-HXUWFJFHSA-N 1 1 338.451 4.252 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1Br ZINC000809578318 1048406198 /nfs/dbraw/zinc/40/61/98/1048406198.db2.gz LCHWVAJPRIYMNN-LBPRGKRZSA-N 1 1 337.261 4.192 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001144079335 1048410575 /nfs/dbraw/zinc/41/05/75/1048410575.db2.gz JIOFZIILASOPLX-CQSZACIVSA-N 1 1 332.234 4.250 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001144079335 1048410579 /nfs/dbraw/zinc/41/05/79/1048410579.db2.gz JIOFZIILASOPLX-CQSZACIVSA-N 1 1 332.234 4.250 20 30 EIEDMO C=CC(C)(C)CC(=O)N1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001131760273 1048411349 /nfs/dbraw/zinc/41/13/49/1048411349.db2.gz UJQLVPSRMJNICR-UHFFFAOYSA-N 1 1 342.527 4.490 20 30 EIEDMO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1Oc1ccccc1 ZINC001144083656 1048414112 /nfs/dbraw/zinc/41/41/12/1048414112.db2.gz MUKPUBIWXCUCEY-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1Oc1ccccc1 ZINC001144083656 1048414115 /nfs/dbraw/zinc/41/41/15/1048414115.db2.gz MUKPUBIWXCUCEY-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C#Cc1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000809640725 1048449625 /nfs/dbraw/zinc/44/96/25/1048449625.db2.gz KUVBLSAGPQIBMM-UHFFFAOYSA-N 1 1 349.474 4.118 20 30 EIEDMO C[NH+](C)[C@@H](CNc1ncccc1CC#N)c1ccc(Cl)cc1Cl ZINC001170584709 1048461749 /nfs/dbraw/zinc/46/17/49/1048461749.db2.gz DRGOKPRXDSQPJM-INIZCTEOSA-N 1 1 349.265 4.169 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2cccc3ccccc32)nc1 ZINC001144169212 1048481563 /nfs/dbraw/zinc/48/15/63/1048481563.db2.gz ABLXDWKNPFBEKL-NRFANRHFSA-N 1 1 345.471 4.397 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2cccc3ccccc32)nc1 ZINC001144169212 1048481574 /nfs/dbraw/zinc/48/15/74/1048481574.db2.gz ABLXDWKNPFBEKL-NRFANRHFSA-N 1 1 345.471 4.397 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)c(C)cc1O ZINC000809705170 1048489023 /nfs/dbraw/zinc/48/90/23/1048489023.db2.gz PBXQOYJIYMXBOA-UHFFFAOYSA-N 1 1 327.472 4.365 20 30 EIEDMO C#C[C@H]([NH2+]Cc1csc(COc2ccc(C)cc2)n1)C(C)(C)C ZINC000809781004 1048529158 /nfs/dbraw/zinc/52/91/58/1048529158.db2.gz DYSSRMHNVNAKHU-KRWDZBQOSA-N 1 1 328.481 4.168 20 30 EIEDMO N#CCSCCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000074981882 1048636838 /nfs/dbraw/zinc/63/68/38/1048636838.db2.gz MAYLGMFNDAHMGO-UHFFFAOYSA-N 1 1 328.403 4.317 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1OC ZINC000920490420 1048686539 /nfs/dbraw/zinc/68/65/39/1048686539.db2.gz XRRCGKBIQZIJAG-UHFFFAOYSA-N 1 1 345.414 4.040 20 30 EIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498266 1048704776 /nfs/dbraw/zinc/70/47/76/1048704776.db2.gz FVSPCIUABHJTRI-SFHVURJKSA-N 1 1 335.447 4.119 20 30 EIEDMO C=CC1(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCCCC1 ZINC001135521233 1048762226 /nfs/dbraw/zinc/76/22/26/1048762226.db2.gz KGZSZJGCRCLQPD-UHFFFAOYSA-N 1 1 340.511 4.166 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001171221287 1048856135 /nfs/dbraw/zinc/85/61/35/1048856135.db2.gz KBMGNSFHKBPBKB-JXFKEZNVSA-N 1 1 337.492 4.141 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001171221288 1048856768 /nfs/dbraw/zinc/85/67/68/1048856768.db2.gz KBMGNSFHKBPBKB-OXJNMPFZSA-N 1 1 337.492 4.141 20 30 EIEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233005 1048872790 /nfs/dbraw/zinc/87/27/90/1048872790.db2.gz YPSYNCIYJXPIHA-IERDGZPVSA-N 1 1 348.446 4.113 20 30 EIEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000847021511 1048981373 /nfs/dbraw/zinc/98/13/73/1048981373.db2.gz NMHPJFXKXUYHPB-ZDUSSCGKSA-N 1 1 334.341 4.206 20 30 EIEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000847021511 1048981383 /nfs/dbraw/zinc/98/13/83/1048981383.db2.gz NMHPJFXKXUYHPB-ZDUSSCGKSA-N 1 1 334.341 4.206 20 30 EIEDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609384861 1049042518 /nfs/dbraw/zinc/04/25/18/1049042518.db2.gz KWXNACQLQKQUJW-JKSUJKDBSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609384861 1049042530 /nfs/dbraw/zinc/04/25/30/1049042530.db2.gz KWXNACQLQKQUJW-JKSUJKDBSA-N 1 1 345.512 4.141 20 30 EIEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1C(C)(C)C#N ZINC000135108302 1049071122 /nfs/dbraw/zinc/07/11/22/1049071122.db2.gz GXHTVGLBCRAQDZ-UHFFFAOYSA-N 1 1 344.462 4.305 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453516 1049083655 /nfs/dbraw/zinc/08/36/55/1049083655.db2.gz NYVGADMSUWAZKL-QZTJIDSGSA-N 1 1 348.874 4.022 20 30 EIEDMO C=CCCC1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001147172124 1049093583 /nfs/dbraw/zinc/09/35/83/1049093583.db2.gz IMNPFCNNAFDRQJ-IBGZPJMESA-N 1 1 332.532 4.426 20 30 EIEDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1C(C)(C)C#N ZINC000135269928 1049097778 /nfs/dbraw/zinc/09/77/78/1049097778.db2.gz YTQHNSKDXKTTHO-UHFFFAOYSA-N 1 1 339.508 4.455 20 30 EIEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1C(C)(C)C#N ZINC000135269928 1049097794 /nfs/dbraw/zinc/09/77/94/1049097794.db2.gz YTQHNSKDXKTTHO-UHFFFAOYSA-N 1 1 339.508 4.455 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000818187627 1049103847 /nfs/dbraw/zinc/10/38/47/1049103847.db2.gz ONIINTYHUXWTPE-OAHLLOKOSA-N 1 1 330.378 4.244 20 30 EIEDMO COC(OC)c1ccc(F)c(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000818198507 1049108615 /nfs/dbraw/zinc/10/86/15/1049108615.db2.gz UMAZUXVPRUHYNH-LJQANCHMSA-N 1 1 342.414 4.252 20 30 EIEDMO N#Cc1c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916562 1049393846 /nfs/dbraw/zinc/39/38/46/1049393846.db2.gz XTMFRJLEEYZVCK-QGZVFWFLSA-N 1 1 333.410 4.015 20 30 EIEDMO C=CCN(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000079392738 1049394722 /nfs/dbraw/zinc/39/47/22/1049394722.db2.gz IJDOGUPGKKNUFN-IBGZPJMESA-N 1 1 343.515 4.039 20 30 EIEDMO CC(=[NH+]Nc1ccc(Cl)cc1)c1cccc(N2CCOCC2)c1 ZINC000812370888 1049444789 /nfs/dbraw/zinc/44/47/89/1049444789.db2.gz WDWPDEBWUUYQFN-UHFFFAOYSA-N 1 1 329.831 4.013 20 30 EIEDMO CC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000812461279 1049481749 /nfs/dbraw/zinc/48/17/49/1049481749.db2.gz NRJMCVAVLUQGRZ-UHFFFAOYSA-N 1 1 337.345 4.487 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(F)cc1 ZINC000805746201 1049484809 /nfs/dbraw/zinc/48/48/09/1049484809.db2.gz SCKBXKKMSPJFQJ-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)cc1 ZINC000773044434 1049551939 /nfs/dbraw/zinc/55/19/39/1049551939.db2.gz PFIXNLYHUUXNFH-CYBMUJFWSA-N 1 1 349.352 4.290 20 30 EIEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000773077755 1049567052 /nfs/dbraw/zinc/56/70/52/1049567052.db2.gz IVALVFXVRMKCGZ-MRXNPFEDSA-N 1 1 337.471 4.052 20 30 EIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000773113242 1049589752 /nfs/dbraw/zinc/58/97/52/1049589752.db2.gz CRBXOBGNABDUIU-LAUBAEHRSA-N 1 1 344.462 4.299 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC(F)F)c(OCC)c1)c1ccc(F)cc1 ZINC000812793953 1049591348 /nfs/dbraw/zinc/59/13/48/1049591348.db2.gz LFUHKOLSXNKNQC-INIZCTEOSA-N 1 1 349.352 4.290 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812795490 1049591662 /nfs/dbraw/zinc/59/16/62/1049591662.db2.gz ZHBFANOYUUDJSQ-KRWDZBQOSA-N 1 1 337.316 4.231 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCC(=C)C)c1)c1ccc(F)cc1 ZINC000812794127 1049591746 /nfs/dbraw/zinc/59/17/46/1049591746.db2.gz RZGRAEWHMAXCJE-LJQANCHMSA-N 1 1 339.410 4.253 20 30 EIEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853502 1049614827 /nfs/dbraw/zinc/61/48/27/1049614827.db2.gz RIHSHPGWXDIIBN-KUHUBIRLSA-N 1 1 328.843 4.156 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001171400145 1049621306 /nfs/dbraw/zinc/62/13/06/1049621306.db2.gz SLZYBYRCQSDQMP-GFCCVEGCSA-N 1 1 334.341 4.476 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715714 1049704170 /nfs/dbraw/zinc/70/41/70/1049704170.db2.gz XQUJAANLTBSXSE-NWZJSZKRSA-N 1 1 345.490 4.262 20 30 EIEDMO C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715714 1049704182 /nfs/dbraw/zinc/70/41/82/1049704182.db2.gz XQUJAANLTBSXSE-NWZJSZKRSA-N 1 1 345.490 4.262 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001171489251 1049718255 /nfs/dbraw/zinc/71/82/55/1049718255.db2.gz DZFKQECQHNIBED-LBPRGKRZSA-N 1 1 326.665 4.338 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC001171598774 1049763630 /nfs/dbraw/zinc/76/36/30/1049763630.db2.gz KUVFLCPFNHNUET-UHFFFAOYSA-N 1 1 344.503 4.151 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171705623 1049780668 /nfs/dbraw/zinc/78/06/68/1049780668.db2.gz DAEYRRPXKMKMFM-FOIQADDNSA-N 1 1 340.854 4.256 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171705624 1049780828 /nfs/dbraw/zinc/78/08/28/1049780828.db2.gz DAEYRRPXKMKMFM-MGPUTAFESA-N 1 1 340.854 4.256 20 30 EIEDMO C[C@H]1C[C@H](N(CCC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171746605 1049789237 /nfs/dbraw/zinc/78/92/37/1049789237.db2.gz PSGRFUGDRKYUPI-UGKGYDQZSA-N 1 1 333.479 4.065 20 30 EIEDMO N#Cc1ccc(CC[N@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001171791775 1049805646 /nfs/dbraw/zinc/80/56/46/1049805646.db2.gz OXQVHIINYPOOOG-UHFFFAOYSA-N 1 1 328.415 4.419 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842149 1049812170 /nfs/dbraw/zinc/81/21/70/1049812170.db2.gz ZLASBTWCSJZVAS-QAPCUYQASA-N 1 1 334.891 4.195 20 30 EIEDMO CC1(C)C[C@H](N[C@H](C#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171961589 1049824032 /nfs/dbraw/zinc/82/40/32/1049824032.db2.gz AQEITWBLZPPROU-NHCUHLMSSA-N 1 1 333.479 4.284 20 30 EIEDMO CC1(C)C[C@@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964840 1049826705 /nfs/dbraw/zinc/82/67/05/1049826705.db2.gz NHAAVWTWCZRGAB-IBGZPJMESA-N 1 1 325.500 4.103 20 30 EIEDMO CC1(C)C[C@@H](NCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171972086 1049834399 /nfs/dbraw/zinc/83/43/99/1049834399.db2.gz NTJGGHWLDCHXFX-NRFANRHFSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@@H]([NH+]2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001171980075 1049839015 /nfs/dbraw/zinc/83/90/15/1049839015.db2.gz DAUWKHWDTQAFDE-FQEVSTJZSA-N 1 1 325.500 4.055 20 30 EIEDMO CC1(C)CC(=O)C=C(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983732 1049840071 /nfs/dbraw/zinc/84/00/71/1049840071.db2.gz PYNWZEYDVMDKDV-GOSISDBHSA-N 1 1 340.511 4.292 20 30 EIEDMO N#CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172074653 1049844970 /nfs/dbraw/zinc/84/49/70/1049844970.db2.gz JLBFWRCNZLBTHU-KOUNCHBCSA-N 1 1 337.511 4.198 20 30 EIEDMO C#Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172074782 1049845052 /nfs/dbraw/zinc/84/50/52/1049845052.db2.gz XUXRRQIHGIBMSH-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074782 1049845053 /nfs/dbraw/zinc/84/50/53/1049845053.db2.gz XUXRRQIHGIBMSH-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172074782 1049845054 /nfs/dbraw/zinc/84/50/54/1049845054.db2.gz XUXRRQIHGIBMSH-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO N#C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064546 1049850738 /nfs/dbraw/zinc/85/07/38/1049850738.db2.gz HCKZMSMNWNSXET-BXXSPATCSA-N 1 1 345.490 4.427 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172065772 1049851990 /nfs/dbraw/zinc/85/19/90/1049851990.db2.gz QMSNOHOZIBLCJL-ZMIPSZNTSA-N 1 1 337.511 4.244 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000823619184 1049863052 /nfs/dbraw/zinc/86/30/52/1049863052.db2.gz ZFLSLOIJOYEZAU-ZDUSSCGKSA-N 1 1 346.352 4.496 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310587 1049875045 /nfs/dbraw/zinc/87/50/45/1049875045.db2.gz GITNBRMFVPZTKT-GCJKJVERSA-N 1 1 348.490 4.453 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172312188 1049875784 /nfs/dbraw/zinc/87/57/84/1049875784.db2.gz FOUNSCTWNDOZDM-QRWLVFNGSA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172312188 1049875785 /nfs/dbraw/zinc/87/57/85/1049875785.db2.gz FOUNSCTWNDOZDM-QRWLVFNGSA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001172319308 1049877506 /nfs/dbraw/zinc/87/75/06/1049877506.db2.gz MJGDZYXNNUSXJC-GOSISDBHSA-N 1 1 334.463 4.170 20 30 EIEDMO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171038087 1049887288 /nfs/dbraw/zinc/88/72/88/1049887288.db2.gz SHTSNLSGXNLPGN-QGZVFWFLSA-N 1 1 325.843 4.008 20 30 EIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171038087 1049887291 /nfs/dbraw/zinc/88/72/91/1049887291.db2.gz SHTSNLSGXNLPGN-QGZVFWFLSA-N 1 1 325.843 4.008 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001172356304 1049894163 /nfs/dbraw/zinc/89/41/63/1049894163.db2.gz VWNLKXCDRDTYTA-ICSRJNTNSA-N 1 1 330.520 4.270 20 30 EIEDMO C=C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC001136812370 1049894857 /nfs/dbraw/zinc/89/48/57/1049894857.db2.gz CYDKLVVAWDBKCF-DYXWJJEUSA-N 1 1 340.511 4.069 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001172362302 1049896576 /nfs/dbraw/zinc/89/65/76/1049896576.db2.gz UTKCFZOKEAIWLL-OAHLLOKOSA-N 1 1 336.476 4.349 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001172362302 1049896579 /nfs/dbraw/zinc/89/65/79/1049896579.db2.gz UTKCFZOKEAIWLL-OAHLLOKOSA-N 1 1 336.476 4.349 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172530791 1049920577 /nfs/dbraw/zinc/92/05/77/1049920577.db2.gz IDNGUXIOELSQDN-ACRUOGEOSA-N 1 1 340.511 4.215 20 30 EIEDMO Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1[C@H](C)CCCC#N ZINC001172491878 1049921367 /nfs/dbraw/zinc/92/13/67/1049921367.db2.gz HKHPQUSMZMXEDB-MSOLQXFVSA-N 1 1 327.472 4.179 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172499079 1049922727 /nfs/dbraw/zinc/92/27/27/1049922727.db2.gz AMVMSKCNCWQFBJ-IBGZPJMESA-N 1 1 347.506 4.474 20 30 EIEDMO CCCC[C@@H]1C[N@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498440 1049922899 /nfs/dbraw/zinc/92/28/99/1049922899.db2.gz MWLAXGCKZLCWMS-IAGOWNOFSA-N 1 1 337.508 4.180 20 30 EIEDMO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172498358 1049922946 /nfs/dbraw/zinc/92/29/46/1049922946.db2.gz MCEYKAPWRPKMFS-ICSRJNTNSA-N 1 1 343.515 4.064 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172510476 1049925665 /nfs/dbraw/zinc/92/56/65/1049925665.db2.gz CWGBHOMJYNSMBJ-MSOLQXFVSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172510968 1049926535 /nfs/dbraw/zinc/92/65/35/1049926535.db2.gz KVYLDKGPZRFRTF-QWFCFKBJSA-N 1 1 349.519 4.107 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172510478 1049927287 /nfs/dbraw/zinc/92/72/87/1049927287.db2.gz CWGBHOMJYNSMBJ-ROUUACIJSA-N 1 1 335.536 4.495 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560442 1049933088 /nfs/dbraw/zinc/93/30/88/1049933088.db2.gz IOVDNYZUAUNMDL-CZYKHXBRSA-N 1 1 341.495 4.149 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648877 1049955706 /nfs/dbraw/zinc/95/57/06/1049955706.db2.gz KBWNVOCJMVPOSH-OKZBNKHCSA-N 1 1 349.519 4.180 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648877 1049955710 /nfs/dbraw/zinc/95/57/10/1049955710.db2.gz KBWNVOCJMVPOSH-OKZBNKHCSA-N 1 1 349.519 4.180 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1 ZINC001172651930 1049956090 /nfs/dbraw/zinc/95/60/90/1049956090.db2.gz UMAOLQGTNHLSAH-QRVBRYPASA-N 1 1 348.531 4.290 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2C(F)(F)F)no1 ZINC001212325094 1050058132 /nfs/dbraw/zinc/05/81/32/1050058132.db2.gz HIKJSIQGCHLKCI-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2Cl)no1 ZINC001212325022 1050058319 /nfs/dbraw/zinc/05/83/19/1050058319.db2.gz FPHPDTFLRVIRMC-NSHDSACASA-N 1 1 343.736 4.212 20 30 EIEDMO COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791751 1050157713 /nfs/dbraw/zinc/15/77/13/1050157713.db2.gz NBYHFDGRCOUXSE-PKOBYXMFSA-N 1 1 334.504 4.437 20 30 EIEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001173089497 1050281850 /nfs/dbraw/zinc/28/18/50/1050281850.db2.gz XGKAJBOURPERDJ-DZGCQCFKSA-N 1 1 326.362 4.142 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173141269 1050325360 /nfs/dbraw/zinc/32/53/60/1050325360.db2.gz HNJCNHOJZLVTSI-OAHLLOKOSA-N 1 1 331.872 4.070 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173141269 1050325362 /nfs/dbraw/zinc/32/53/62/1050325362.db2.gz HNJCNHOJZLVTSI-OAHLLOKOSA-N 1 1 331.872 4.070 20 30 EIEDMO CCCC[C@@H](CC(C)C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001173255623 1050381267 /nfs/dbraw/zinc/38/12/67/1050381267.db2.gz LYHWPYCIBSJOLB-IBGZPJMESA-N 1 1 328.504 4.070 20 30 EIEDMO Fc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000618449036 1050387480 /nfs/dbraw/zinc/38/74/80/1050387480.db2.gz DYNNSYRAARNKSH-GHMZBOCLSA-N 1 1 329.259 4.388 20 30 EIEDMO C=CCOC1CCC([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173323658 1050418281 /nfs/dbraw/zinc/41/82/81/1050418281.db2.gz FXRKUTBMBLQQJA-SAGYGOJTSA-N 1 1 346.902 4.117 20 30 EIEDMO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173331017 1050422495 /nfs/dbraw/zinc/42/24/95/1050422495.db2.gz JTBIKSFVCOGOKM-PBHCIXSXSA-N 1 1 349.519 4.084 20 30 EIEDMO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173332283 1050423501 /nfs/dbraw/zinc/42/35/01/1050423501.db2.gz YRVMTWBZKMPAQP-ZLZJIPBDSA-N 1 1 349.519 4.084 20 30 EIEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173336877 1050424598 /nfs/dbraw/zinc/42/45/98/1050424598.db2.gz PWNZJJHKVSFGBS-DAWZGUTISA-N 1 1 349.519 4.180 20 30 EIEDMO CCOc1cc2c(cc1OCC)C[N@H+](C1CCC(CC#N)CC1)CC2 ZINC001173336781 1050424669 /nfs/dbraw/zinc/42/46/69/1050424669.db2.gz LJFPPIWXZXEUNR-UHFFFAOYSA-N 1 1 342.483 4.315 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173336802 1050425713 /nfs/dbraw/zinc/42/57/13/1050425713.db2.gz MKAQBONEGXBWSX-QXINMDOSSA-N 1 1 349.519 4.227 20 30 EIEDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)C2CCC(CC#N)CC2)CC1 ZINC001173337689 1050427256 /nfs/dbraw/zinc/42/72/56/1050427256.db2.gz AACVIERRCWNXBJ-UHFFFAOYSA-N 1 1 340.467 4.057 20 30 EIEDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173339759 1050427549 /nfs/dbraw/zinc/42/75/49/1050427549.db2.gz SMXYYVRYVADFNB-UHFFFAOYSA-N 1 1 337.467 4.017 20 30 EIEDMO COc1ccccc1O[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173338573 1050428691 /nfs/dbraw/zinc/42/86/91/1050428691.db2.gz FWQZKIZQKPXGMK-ABHNRTSZSA-N 1 1 328.456 4.011 20 30 EIEDMO CC[N@H+]1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368412 1050443706 /nfs/dbraw/zinc/44/37/06/1050443706.db2.gz PKPQURJAUGAHFD-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368412 1050443715 /nfs/dbraw/zinc/44/37/15/1050443715.db2.gz PKPQURJAUGAHFD-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368412 1050443720 /nfs/dbraw/zinc/44/37/20/1050443720.db2.gz PKPQURJAUGAHFD-PGRDOPGGSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+]1CC[C@H](N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001173367220 1050443800 /nfs/dbraw/zinc/44/38/00/1050443800.db2.gz FGYQNZCNWZBONR-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001173367220 1050443807 /nfs/dbraw/zinc/44/38/07/1050443807.db2.gz FGYQNZCNWZBONR-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCN1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001173367220 1050443815 /nfs/dbraw/zinc/44/38/15/1050443815.db2.gz FGYQNZCNWZBONR-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173592354 1050497123 /nfs/dbraw/zinc/49/71/23/1050497123.db2.gz NCYZZIBONFCXJS-VPRUJKLYSA-N 1 1 349.519 4.084 20 30 EIEDMO CC1(C#N)CCC([N@@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC001173597510 1050499434 /nfs/dbraw/zinc/49/94/34/1050499434.db2.gz WNHZFRACXACROO-UHFFFAOYSA-N 1 1 349.272 4.116 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC001173597510 1050499440 /nfs/dbraw/zinc/49/94/40/1050499440.db2.gz WNHZFRACXACROO-UHFFFAOYSA-N 1 1 349.272 4.116 20 30 EIEDMO COc1ccccc1S[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597630 1050499634 /nfs/dbraw/zinc/49/96/34/1050499634.db2.gz ANJLIIDVHDNSKG-KOHRHEQBSA-N 1 1 330.497 4.334 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173599088 1050499780 /nfs/dbraw/zinc/49/97/80/1050499780.db2.gz ZEEWDMVHUUCUJV-ACBHZAAOSA-N 1 1 332.875 4.360 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601074 1050501982 /nfs/dbraw/zinc/50/19/82/1050501982.db2.gz OGJBFBAYNDMGRT-JSOIOWGOSA-N 1 1 326.484 4.422 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000618779161 1050520587 /nfs/dbraw/zinc/52/05/87/1050520587.db2.gz BPMGCZKASRWBSI-IBGZPJMESA-N 1 1 328.843 4.340 20 30 EIEDMO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658916 1050521529 /nfs/dbraw/zinc/52/15/29/1050521529.db2.gz SLCMITGOWQSIPY-AEFFLSMTSA-N 1 1 348.874 4.178 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000618807327 1050535039 /nfs/dbraw/zinc/53/50/39/1050535039.db2.gz UCBAIICOODTLTJ-RNCFNFMXSA-N 1 1 337.370 4.372 20 30 EIEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC001178945549 1050595141 /nfs/dbraw/zinc/59/51/41/1050595141.db2.gz VBXSNOOCJZOJRA-HXUWFJFHSA-N 1 1 331.463 4.476 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000619674238 1050850702 /nfs/dbraw/zinc/85/07/02/1050850702.db2.gz TXRROSTUSPHLGE-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001180132427 1050881756 /nfs/dbraw/zinc/88/17/56/1050881756.db2.gz DYKIGBMWMZLZAS-UHFFFAOYSA-N 1 1 327.431 4.339 20 30 EIEDMO C[C@]1(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C[C@@H]1c1ccccc1 ZINC001180132765 1050882243 /nfs/dbraw/zinc/88/22/43/1050882243.db2.gz LXOLENQVMMFLSS-BHIFYINESA-N 1 1 332.447 4.125 20 30 EIEDMO C[C@]1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C[C@@H]1c1ccccc1 ZINC001180132765 1050882250 /nfs/dbraw/zinc/88/22/50/1050882250.db2.gz LXOLENQVMMFLSS-BHIFYINESA-N 1 1 332.447 4.125 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000619755254 1050884744 /nfs/dbraw/zinc/88/47/44/1050884744.db2.gz UUUIMKJJEUUVHA-HXUWFJFHSA-N 1 1 333.822 4.486 20 30 EIEDMO C#CC[N@H+](CC#CC)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001180203368 1050912511 /nfs/dbraw/zinc/91/25/11/1050912511.db2.gz QIMRVKWXOUOWBX-FMIVXFBMSA-N 1 1 329.443 4.237 20 30 EIEDMO C#CC[N@@H+](CC#CC)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001180203368 1050912530 /nfs/dbraw/zinc/91/25/30/1050912530.db2.gz QIMRVKWXOUOWBX-FMIVXFBMSA-N 1 1 329.443 4.237 20 30 EIEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)c1 ZINC001189268034 1050953781 /nfs/dbraw/zinc/95/37/81/1050953781.db2.gz QKGPTVHAPDRUTC-IBGZPJMESA-N 1 1 343.515 4.079 20 30 EIEDMO C#CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296817 1050960216 /nfs/dbraw/zinc/96/02/16/1050960216.db2.gz MBZRDBRSXQPKEX-JPYJTQIMSA-N 1 1 349.474 4.223 20 30 EIEDMO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@@H+](CCC#N)CC(C)C ZINC001180402102 1050979386 /nfs/dbraw/zinc/97/93/86/1050979386.db2.gz AUDRQLHSZPZWLW-UHFFFAOYSA-N 1 1 339.524 4.189 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193463 1051058382 /nfs/dbraw/zinc/05/83/82/1051058382.db2.gz HSDXSBXTHINPTE-PZJWPPBQSA-N 1 1 340.511 4.007 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(I)cc1)C(C)(C)C ZINC001174641832 1051095632 /nfs/dbraw/zinc/09/56/32/1051095632.db2.gz NQYMXHLZLXRBET-UHFFFAOYSA-N 1 1 329.225 4.078 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001174705598 1051140839 /nfs/dbraw/zinc/14/08/39/1051140839.db2.gz XEGOIAKQFKSEKM-OAHLLOKOSA-N 1 1 333.273 4.333 20 30 EIEDMO COc1ccc(C[N@@H+](C[C@H](C)CCC#N)CC2CCC2)c(OC)c1 ZINC001181154219 1051169398 /nfs/dbraw/zinc/16/93/98/1051169398.db2.gz MZUBUNOCRYCWMK-MRXNPFEDSA-N 1 1 330.472 4.246 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccc2ccccc21 ZINC001190373572 1051173052 /nfs/dbraw/zinc/17/30/52/1051173052.db2.gz BAPFZWNXQFIMQG-INIZCTEOSA-N 1 1 343.430 4.170 20 30 EIEDMO COc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001190707382 1051250491 /nfs/dbraw/zinc/25/04/91/1051250491.db2.gz HSKXQVBXAVREAK-UHFFFAOYSA-N 1 1 345.364 4.124 20 30 EIEDMO COc1ccc2c(c1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001190707382 1051250504 /nfs/dbraw/zinc/25/05/04/1051250504.db2.gz HSKXQVBXAVREAK-UHFFFAOYSA-N 1 1 345.364 4.124 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000775404586 1051258189 /nfs/dbraw/zinc/25/81/89/1051258189.db2.gz PRECWCSGAGQLIW-OAQYLSRUSA-N 1 1 341.458 4.215 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000265870443 1051272143 /nfs/dbraw/zinc/27/21/43/1051272143.db2.gz VNZFJLKGHXTCTR-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000265870443 1051272148 /nfs/dbraw/zinc/27/21/48/1051272148.db2.gz VNZFJLKGHXTCTR-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO N#CC1CCC(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001175014005 1051296151 /nfs/dbraw/zinc/29/61/51/1051296151.db2.gz CAIPHQBDOXRBNC-UHYCVJNDSA-N 1 1 339.483 4.132 20 30 EIEDMO Oc1cccc(C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2CC2)c1 ZINC001190895039 1051301840 /nfs/dbraw/zinc/30/18/40/1051301840.db2.gz MSRTWAGNFNPJSI-UHFFFAOYSA-N 1 1 325.839 4.309 20 30 EIEDMO C=CC[N@@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)CC1CCCCC1 ZINC001190984124 1051316743 /nfs/dbraw/zinc/31/67/43/1051316743.db2.gz IEUKOXAPMIIGTG-IBGZPJMESA-N 1 1 334.504 4.208 20 30 EIEDMO C#C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020938 1051383691 /nfs/dbraw/zinc/38/36/91/1051383691.db2.gz QTSJZPHLQFOKCT-FGZHOGPDSA-N 1 1 348.465 4.287 20 30 EIEDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC001175260128 1051497647 /nfs/dbraw/zinc/49/76/47/1051497647.db2.gz LBGUFWVTXDKXIS-MRXNPFEDSA-N 1 1 337.508 4.086 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001175530360 1051652714 /nfs/dbraw/zinc/65/27/14/1051652714.db2.gz CQIQHEUAGFLZAB-FQEVSTJZSA-N 1 1 326.484 4.305 20 30 EIEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603943 1051655740 /nfs/dbraw/zinc/65/57/40/1051655740.db2.gz BUMFILOFUQZLEH-IAGOWNOFSA-N 1 1 336.520 4.051 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC001192244305 1051665302 /nfs/dbraw/zinc/66/53/02/1051665302.db2.gz YNAADPJSIJBFIJ-FQEVSTJZSA-N 1 1 339.483 4.322 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001182765445 1051703765 /nfs/dbraw/zinc/70/37/65/1051703765.db2.gz UJQHENMSCQGNSO-NRFANRHFSA-N 1 1 340.511 4.256 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001182765445 1051703781 /nfs/dbraw/zinc/70/37/81/1051703781.db2.gz UJQHENMSCQGNSO-NRFANRHFSA-N 1 1 340.511 4.256 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)c1ccccc1 ZINC001175661479 1051716986 /nfs/dbraw/zinc/71/69/86/1051716986.db2.gz OAXVMZYBYVZWGF-GOSISDBHSA-N 1 1 348.368 4.133 20 30 EIEDMO Cc1cccc(C2=CC[N@@H+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC001192557430 1051759871 /nfs/dbraw/zinc/75/98/71/1051759871.db2.gz RJQPBQDPVOJDRB-UHFFFAOYSA-N 1 1 332.447 4.425 20 30 EIEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)[nH]n1 ZINC001175925836 1051845998 /nfs/dbraw/zinc/84/59/98/1051845998.db2.gz NIWOXOKFTHBMHP-MRXNPFEDSA-N 1 1 342.874 4.438 20 30 EIEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)n[nH]1 ZINC001175925836 1051846002 /nfs/dbraw/zinc/84/60/02/1051846002.db2.gz NIWOXOKFTHBMHP-MRXNPFEDSA-N 1 1 342.874 4.438 20 30 EIEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)n[nH]1 ZINC001175925836 1051846009 /nfs/dbraw/zinc/84/60/09/1051846009.db2.gz NIWOXOKFTHBMHP-MRXNPFEDSA-N 1 1 342.874 4.438 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001193022878 1051855902 /nfs/dbraw/zinc/85/59/02/1051855902.db2.gz WYJPSWYEDZDYJM-ZDUSSCGKSA-N 1 1 345.874 4.217 20 30 EIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001193022878 1051855907 /nfs/dbraw/zinc/85/59/07/1051855907.db2.gz WYJPSWYEDZDYJM-ZDUSSCGKSA-N 1 1 345.874 4.217 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@]2(C)Cc2ccccc2)cc1 ZINC001193069948 1051861962 /nfs/dbraw/zinc/86/19/62/1051861962.db2.gz ORKNFJRSHXJXDZ-HSZRJFAPSA-N 1 1 346.474 4.094 20 30 EIEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC001193209357 1051885675 /nfs/dbraw/zinc/88/56/75/1051885675.db2.gz FXBSNBKLEURSAV-NRFANRHFSA-N 1 1 339.527 4.447 20 30 EIEDMO CC[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001193209357 1051885677 /nfs/dbraw/zinc/88/56/77/1051885677.db2.gz FXBSNBKLEURSAV-NRFANRHFSA-N 1 1 339.527 4.447 20 30 EIEDMO CC[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001193209357 1051885681 /nfs/dbraw/zinc/88/56/81/1051885681.db2.gz FXBSNBKLEURSAV-NRFANRHFSA-N 1 1 339.527 4.447 20 30 EIEDMO Cc1cn(C)nc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293719 1051897176 /nfs/dbraw/zinc/89/71/76/1051897176.db2.gz QFJDQARAONKZHG-INIZCTEOSA-N 1 1 330.435 4.118 20 30 EIEDMO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC001176373713 1052045048 /nfs/dbraw/zinc/04/50/48/1052045048.db2.gz XOLILQLWNPPIOI-GOSISDBHSA-N 1 1 325.843 4.375 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCCc2ccccc21 ZINC001176451980 1052076747 /nfs/dbraw/zinc/07/67/47/1052076747.db2.gz HJJODUGFRYOYMP-JOCHJYFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCCc2ccccc21 ZINC001176451980 1052076758 /nfs/dbraw/zinc/07/67/58/1052076758.db2.gz HJJODUGFRYOYMP-JOCHJYFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccncc4)cc3)sc2C1 ZINC001176695064 1052166509 /nfs/dbraw/zinc/16/65/09/1052166509.db2.gz WNAGOLGWUVFERS-UHFFFAOYSA-N 1 1 346.459 4.413 20 30 EIEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001176663288 1052172983 /nfs/dbraw/zinc/17/29/83/1052172983.db2.gz DTLZELLAPKQHMY-LJQANCHMSA-N 1 1 326.465 4.248 20 30 EIEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001176771936 1052194899 /nfs/dbraw/zinc/19/48/99/1052194899.db2.gz YKTOIEAXRYQKMK-ZDUSSCGKSA-N 1 1 347.509 4.241 20 30 EIEDMO Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911023 1052279513 /nfs/dbraw/zinc/27/95/13/1052279513.db2.gz FAPPAKWVFYJTSW-WOJBJXKFSA-N 1 1 338.451 4.328 20 30 EIEDMO COc1cc(C[N@H+]2CCC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000072874518 1052616145 /nfs/dbraw/zinc/61/61/45/1052616145.db2.gz NYJXMZMSTSMFHE-INIZCTEOSA-N 1 1 336.435 4.130 20 30 EIEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000180213551 1052787866 /nfs/dbraw/zinc/78/78/66/1052787866.db2.gz KTGSUFZTICLOPF-UHFFFAOYSA-N 1 1 336.479 4.261 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361035247 1052948357 /nfs/dbraw/zinc/94/83/57/1052948357.db2.gz NKSCXJDUJPVRDI-UXHICEINSA-N 1 1 325.500 4.055 20 30 EIEDMO CC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000185113141 1053013047 /nfs/dbraw/zinc/01/30/47/1053013047.db2.gz XAEKPKNUSUEYCL-CQSZACIVSA-N 1 1 340.370 4.134 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000775608974 1053091710 /nfs/dbraw/zinc/09/17/10/1053091710.db2.gz FAFDCNZPIXKPLL-KRWDZBQOSA-N 1 1 326.843 4.164 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000775608974 1053091724 /nfs/dbraw/zinc/09/17/24/1053091724.db2.gz FAFDCNZPIXKPLL-KRWDZBQOSA-N 1 1 326.843 4.164 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900561 1053154846 /nfs/dbraw/zinc/15/48/46/1053154846.db2.gz YDMZXPXFLXALOQ-IRXDYDNUSA-N 1 1 326.525 4.440 20 30 EIEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CCC1 ZINC001194983952 1053215009 /nfs/dbraw/zinc/21/50/09/1053215009.db2.gz NVIDRANNLREDNE-UXHICEINSA-N 1 1 338.495 4.439 20 30 EIEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000383089747 1053293147 /nfs/dbraw/zinc/29/31/47/1053293147.db2.gz QCYFRCYIXLEZIZ-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000383089747 1053293174 /nfs/dbraw/zinc/29/31/74/1053293174.db2.gz QCYFRCYIXLEZIZ-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000383089747 1053293193 /nfs/dbraw/zinc/29/31/93/1053293193.db2.gz QCYFRCYIXLEZIZ-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001195872975 1053512176 /nfs/dbraw/zinc/51/21/76/1053512176.db2.gz HOOWQWICWDEFJU-FQEVSTJZSA-N 1 1 325.402 4.414 20 30 EIEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000851845419 1053525944 /nfs/dbraw/zinc/52/59/44/1053525944.db2.gz LOHDUCMKWNEOJR-SFHVURJKSA-N 1 1 338.451 4.252 20 30 EIEDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(C)(C)C1 ZINC001195995881 1053564431 /nfs/dbraw/zinc/56/44/31/1053564431.db2.gz WLQSATWHIMHVDS-UHFFFAOYSA-N 1 1 327.472 4.035 20 30 EIEDMO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001196055500 1053565150 /nfs/dbraw/zinc/56/51/50/1053565150.db2.gz CMMNTDHZWJIGLB-JOCHJYFZSA-N 1 1 332.447 4.226 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622027 1053715539 /nfs/dbraw/zinc/71/55/39/1053715539.db2.gz BIVJXGYZOWLTDZ-HXUWFJFHSA-N 1 1 338.495 4.383 20 30 EIEDMO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1cccc(C#N)c1O ZINC000866398133 1053716161 /nfs/dbraw/zinc/71/61/61/1053716161.db2.gz KXQXEVVVAXYOIQ-VIFPVBQESA-N 1 1 326.343 4.195 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001196709067 1053731194 /nfs/dbraw/zinc/73/11/94/1053731194.db2.gz YTBFAQMZIWRRKO-UHFFFAOYSA-N 1 1 330.353 4.330 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001196709067 1053731201 /nfs/dbraw/zinc/73/12/01/1053731201.db2.gz YTBFAQMZIWRRKO-UHFFFAOYSA-N 1 1 330.353 4.330 20 30 EIEDMO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](CCCCC#N)C1 ZINC000854065488 1053750753 /nfs/dbraw/zinc/75/07/53/1053750753.db2.gz NGNBEENEIPTDHT-UHFFFAOYSA-N 1 1 340.446 4.090 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001196829980 1053771305 /nfs/dbraw/zinc/77/13/05/1053771305.db2.gz IIJFRBXHOOYAMJ-CZUORRHYSA-N 1 1 326.362 4.098 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC001196829977 1053771601 /nfs/dbraw/zinc/77/16/01/1053771601.db2.gz IIJFRBXHOOYAMJ-CJNGLKHVSA-N 1 1 326.362 4.098 20 30 EIEDMO CCOCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196888478 1053792073 /nfs/dbraw/zinc/79/20/73/1053792073.db2.gz OCNMNQHZNPSZSH-JOCHJYFZSA-N 1 1 334.463 4.393 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/CCc3ccc(O)cc3C2=O)c2ccccn21 ZINC000794960509 1053831520 /nfs/dbraw/zinc/83/15/20/1053831520.db2.gz UINLERSFGDTEGE-PTNGSMBKSA-N 1 1 332.403 4.376 20 30 EIEDMO COc1ccccc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001197212122 1053854529 /nfs/dbraw/zinc/85/45/29/1053854529.db2.gz HDADGJFMRKBWJZ-INIZCTEOSA-N 1 1 338.426 4.476 20 30 EIEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197422472 1053904692 /nfs/dbraw/zinc/90/46/92/1053904692.db2.gz RDZMAVKIVFEZDB-ZDUSSCGKSA-N 1 1 333.407 4.061 20 30 EIEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC001197422472 1053904709 /nfs/dbraw/zinc/90/47/09/1053904709.db2.gz RDZMAVKIVFEZDB-ZDUSSCGKSA-N 1 1 333.407 4.061 20 30 EIEDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2(C)C)c1 ZINC001197422602 1053905394 /nfs/dbraw/zinc/90/53/94/1053905394.db2.gz TXIFHNFIYGYYKF-LJQANCHMSA-N 1 1 338.426 4.474 20 30 EIEDMO Fc1cccc(F)c1[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197639149 1053969849 /nfs/dbraw/zinc/96/98/49/1053969849.db2.gz MCAHPXVOWRZOCJ-HNNXBMFYSA-N 1 1 331.793 4.459 20 30 EIEDMO Fc1cccc(F)c1[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197639149 1053969858 /nfs/dbraw/zinc/96/98/58/1053969858.db2.gz MCAHPXVOWRZOCJ-HNNXBMFYSA-N 1 1 331.793 4.459 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC001197921184 1054022379 /nfs/dbraw/zinc/02/23/79/1054022379.db2.gz NKWNWRQYZUHGOE-INIZCTEOSA-N 1 1 330.884 4.103 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1C ZINC000186164219 1054031879 /nfs/dbraw/zinc/03/18/79/1054031879.db2.gz BDDZHVIQXRHDAH-UHFFFAOYSA-N 1 1 335.451 4.026 20 30 EIEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CCN(C)C(=O)OC(C)(C)C ZINC001197979242 1054047682 /nfs/dbraw/zinc/04/76/82/1054047682.db2.gz VRFZUYDSTKIKDK-UHFFFAOYSA-N 1 1 339.524 4.284 20 30 EIEDMO CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001198026434 1054058916 /nfs/dbraw/zinc/05/89/16/1054058916.db2.gz GRJROAGAJYYARC-HNNXBMFYSA-N 1 1 345.368 4.139 20 30 EIEDMO N#Cc1ccc([C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CCO2)cc1 ZINC001198219218 1054097179 /nfs/dbraw/zinc/09/71/79/1054097179.db2.gz MQLQPYKXMBXZSC-HXUWFJFHSA-N 1 1 340.854 4.218 20 30 EIEDMO N#Cc1ccc([C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CCO2)cc1 ZINC001198219218 1054097195 /nfs/dbraw/zinc/09/71/95/1054097195.db2.gz MQLQPYKXMBXZSC-HXUWFJFHSA-N 1 1 340.854 4.218 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414535 1054139562 /nfs/dbraw/zinc/13/95/62/1054139562.db2.gz VWHZRJNVZJQRSZ-MRXNPFEDSA-N 1 1 344.480 4.455 20 30 EIEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCCCC1 ZINC001199160385 1054354486 /nfs/dbraw/zinc/35/44/86/1054354486.db2.gz BTDWCLWUHLVXQI-NRFANRHFSA-N 1 1 341.543 4.478 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C(C)C)N1CCC(C)CC1 ZINC001199259770 1054373956 /nfs/dbraw/zinc/37/39/56/1054373956.db2.gz WZYXOIUBHRGBFV-OAQYLSRUSA-N 1 1 327.516 4.021 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023563 1054403506 /nfs/dbraw/zinc/40/35/06/1054403506.db2.gz OZDYLVRYCYNYBN-OAQYLSRUSA-N 1 1 347.462 4.068 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045975 1054409003 /nfs/dbraw/zinc/40/90/03/1054409003.db2.gz FDZXENCPTBJEPU-YWZLYKJASA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCCc2ccccc2Cl)no1 ZINC000872176184 1054420974 /nfs/dbraw/zinc/42/09/74/1054420974.db2.gz WKPPFXOMDKGJID-ZDUSSCGKSA-N 1 1 326.227 4.041 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(SC(C)(C)C)cn2)no1 ZINC000872177590 1054423743 /nfs/dbraw/zinc/42/37/43/1054423743.db2.gz CUZPFGDTWBCJBR-LLVKDONJSA-N 1 1 338.864 4.165 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776002512 1054437698 /nfs/dbraw/zinc/43/76/98/1054437698.db2.gz FBVCXQIODQHWRY-XLIONFOSSA-N 1 1 325.452 4.283 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059345 1054442657 /nfs/dbraw/zinc/44/26/57/1054442657.db2.gz XPXXZPWJRGZXAP-GOSISDBHSA-N 1 1 349.409 4.222 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012035 1054445737 /nfs/dbraw/zinc/44/57/37/1054445737.db2.gz WQRVWBZGGZULPG-QGZVFWFLSA-N 1 1 343.430 4.422 20 30 EIEDMO COc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1C#N ZINC000858342465 1054468431 /nfs/dbraw/zinc/46/84/31/1054468431.db2.gz PBWHGBCJZIYJHZ-UHFFFAOYSA-N 1 1 328.362 4.014 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282209461 1054610967 /nfs/dbraw/zinc/61/09/67/1054610967.db2.gz XULJOFJNIHRQOX-LPHOPBHVSA-N 1 1 334.467 4.032 20 30 EIEDMO C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000125168132 1054734008 /nfs/dbraw/zinc/73/40/08/1054734008.db2.gz ILIFWEYVNNRVLX-CQSZACIVSA-N 1 1 346.434 4.354 20 30 EIEDMO C[C@]12CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@H]1C2(Cl)Cl ZINC000825824679 1054823843 /nfs/dbraw/zinc/82/38/43/1054823843.db2.gz MNQAEQQJQPIIHQ-CVEARBPZSA-N 1 1 335.278 4.257 20 30 EIEDMO COc1ccc(C#N)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201478022 1054831626 /nfs/dbraw/zinc/83/16/26/1054831626.db2.gz RCOHLXIYIAKEKB-UXHICEINSA-N 1 1 345.446 4.300 20 30 EIEDMO CCCCCCC[N@@H+]1Cc2cnn(CC3CC3)c2[C@H](COCC)C1 ZINC001201777275 1054917724 /nfs/dbraw/zinc/91/77/24/1054917724.db2.gz VAVMWOVPOMJHJX-IBGZPJMESA-N 1 1 333.520 4.199 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201852632 1054919504 /nfs/dbraw/zinc/91/95/04/1054919504.db2.gz FSGVSNKVJLTVOZ-GOSISDBHSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001201847468 1054934059 /nfs/dbraw/zinc/93/40/59/1054934059.db2.gz WCMHSAKRIJLTGX-UHFFFAOYSA-N 1 1 349.567 4.075 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001201874942 1054940717 /nfs/dbraw/zinc/94/07/17/1054940717.db2.gz LXLDPJPRICWJKE-FQEVSTJZSA-N 1 1 330.520 4.272 20 30 EIEDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876749456 1054952410 /nfs/dbraw/zinc/95/24/10/1054952410.db2.gz OMMNJZQHWCHYJF-GOSISDBHSA-N 1 1 340.858 4.010 20 30 EIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876749456 1054952423 /nfs/dbraw/zinc/95/24/23/1054952423.db2.gz OMMNJZQHWCHYJF-GOSISDBHSA-N 1 1 340.858 4.010 20 30 EIEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000876820190 1054964535 /nfs/dbraw/zinc/96/45/35/1054964535.db2.gz RUYAIZWSHJFALI-KRWDZBQOSA-N 1 1 327.472 4.188 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940035 1054986932 /nfs/dbraw/zinc/98/69/32/1054986932.db2.gz OOISSKXFDAXLSJ-UNMCSNQZSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940035 1054986942 /nfs/dbraw/zinc/98/69/42/1054986942.db2.gz OOISSKXFDAXLSJ-UNMCSNQZSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1ccc(F)c(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067022 1055010320 /nfs/dbraw/zinc/01/03/20/1055010320.db2.gz AGPVFITUFNHFJZ-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067022 1055010326 /nfs/dbraw/zinc/01/03/26/1055010326.db2.gz AGPVFITUFNHFJZ-KNQAVFIVSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(F)c(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067023 1055012078 /nfs/dbraw/zinc/01/20/78/1055012078.db2.gz AGPVFITUFNHFJZ-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067023 1055012094 /nfs/dbraw/zinc/01/20/94/1055012094.db2.gz AGPVFITUFNHFJZ-SIKLNZKXSA-N 1 1 349.453 4.155 20 30 EIEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000862444910 1055068085 /nfs/dbraw/zinc/06/80/85/1055068085.db2.gz ITTWKQGYMIWVCA-AWEZNQCLSA-N 1 1 346.883 4.221 20 30 EIEDMO C#CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000862444910 1055068100 /nfs/dbraw/zinc/06/81/00/1055068100.db2.gz ITTWKQGYMIWVCA-AWEZNQCLSA-N 1 1 346.883 4.221 20 30 EIEDMO CCOP(=O)(CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OCC ZINC000877599416 1055087851 /nfs/dbraw/zinc/08/78/51/1055087851.db2.gz ZCDTXBGXAFXMPS-OAHLLOKOSA-N 1 1 338.388 4.207 20 30 EIEDMO N#CCC1(C[NH2+]Cc2c(F)c(Cl)ccc2Br)CC1 ZINC001202219438 1055090723 /nfs/dbraw/zinc/09/07/23/1055090723.db2.gz GUUGVZSEOAUESY-UHFFFAOYSA-N 1 1 331.616 4.025 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000877960773 1055162248 /nfs/dbraw/zinc/16/22/48/1055162248.db2.gz BOTGYPVUIOUUBN-WOJBJXKFSA-N 1 1 338.476 4.326 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)c1cccs1)c1ccccc1 ZINC000877970597 1055165836 /nfs/dbraw/zinc/16/58/36/1055165836.db2.gz PAVUSDYOTKTGCF-HNAYVOBHSA-N 1 1 326.465 4.182 20 30 EIEDMO CC[C@H](C)[C@H](C)[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056080 1055180688 /nfs/dbraw/zinc/18/06/88/1055180688.db2.gz ADTAOKHHOKWASR-XGHQBKJUSA-N 1 1 326.484 4.326 20 30 EIEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000794523430 1055196080 /nfs/dbraw/zinc/19/60/80/1055196080.db2.gz OLXJTGLVRBTVNT-UHFFFAOYSA-N 1 1 337.345 4.226 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000186265477 1055304473 /nfs/dbraw/zinc/30/44/73/1055304473.db2.gz JVJONCHXKOWTJB-GOSISDBHSA-N 1 1 331.419 4.388 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cc(C)ccc1C)c1ccccc1 ZINC000878510948 1055328253 /nfs/dbraw/zinc/32/82/53/1055328253.db2.gz ULVCVFISLVSRGE-JOCHJYFZSA-N 1 1 334.463 4.176 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccc(C)c1C)c1ccccc1 ZINC000878639787 1055365431 /nfs/dbraw/zinc/36/54/31/1055365431.db2.gz VGTMUIBRPXSJFW-QFIPXVFZSA-N 1 1 334.463 4.176 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649125 1055367646 /nfs/dbraw/zinc/36/76/46/1055367646.db2.gz XKKCMJWVRQGJTD-FYYLOGMGSA-N 1 1 346.474 4.307 20 30 EIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000765816128 1055517928 /nfs/dbraw/zinc/51/79/28/1055517928.db2.gz HXUTWORXGNRDQJ-FZKQIMNGSA-N 1 1 326.419 4.203 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273358711 1055780892 /nfs/dbraw/zinc/78/08/92/1055780892.db2.gz CHPCYEKXEIHZPP-QAPCUYQASA-N 1 1 330.428 4.111 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273523451 1055909410 /nfs/dbraw/zinc/90/94/10/1055909410.db2.gz QHEDUJYJDMNICN-ICSRJNTNSA-N 1 1 342.389 4.189 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000301458073 1055939222 /nfs/dbraw/zinc/93/92/22/1055939222.db2.gz ZJASOYUUJGCICA-SCLBCKFNSA-N 1 1 347.434 4.393 20 30 EIEDMO C[C@]1(CNc2snc(Cl)c2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000302377863 1056041538 /nfs/dbraw/zinc/04/15/38/1056041538.db2.gz GELYLTDBJSFHPY-QGZVFWFLSA-N 1 1 346.887 4.135 20 30 EIEDMO CC(C)[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000123208377 1056201345 /nfs/dbraw/zinc/20/13/45/1056201345.db2.gz OUOJWDMCOAGUGA-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO CC(C)[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000123208377 1056201369 /nfs/dbraw/zinc/20/13/69/1056201369.db2.gz OUOJWDMCOAGUGA-UHFFFAOYSA-N 1 1 332.407 4.019 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3CCC3)o2)cc1 ZINC000072608790 1056436503 /nfs/dbraw/zinc/43/65/03/1056436503.db2.gz NLQGKNWSJLWBJZ-HXUWFJFHSA-N 1 1 344.418 4.239 20 30 EIEDMO COc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OC2CCCC2)c1 ZINC000921814280 1056626901 /nfs/dbraw/zinc/62/69/01/1056626901.db2.gz QWHLIHVJZHKAGN-UHFFFAOYSA-N 1 1 342.464 4.240 20 30 EIEDMO Fc1cc(Nc2cc[nH+]cc2C(F)(F)F)cc(F)c1OC(F)F ZINC001212443929 1056712309 /nfs/dbraw/zinc/71/23/09/1056712309.db2.gz UQYMQEXXCOFVKT-UHFFFAOYSA-N 1 1 340.198 4.146 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000111052865 1056739675 /nfs/dbraw/zinc/73/96/75/1056739675.db2.gz CNAIDYXRNLOYTH-QFIPXVFZSA-N 1 1 345.490 4.285 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000111052865 1056739689 /nfs/dbraw/zinc/73/96/89/1056739689.db2.gz CNAIDYXRNLOYTH-QFIPXVFZSA-N 1 1 345.490 4.285 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445838724 1056744933 /nfs/dbraw/zinc/74/49/33/1056744933.db2.gz APTMIWHUAQMVOT-UHFFFAOYSA-N 1 1 331.444 4.240 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000445838724 1056744940 /nfs/dbraw/zinc/74/49/40/1056744940.db2.gz APTMIWHUAQMVOT-UHFFFAOYSA-N 1 1 331.444 4.240 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000742381753 1058583720 /nfs/dbraw/zinc/58/37/20/1058583720.db2.gz HOGVKLSGSIEKRN-UHFFFAOYSA-N 1 1 340.732 4.242 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000742383141 1058584234 /nfs/dbraw/zinc/58/42/34/1058584234.db2.gz JTRPMQSOACHWHH-MRXNPFEDSA-N 1 1 348.229 4.229 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000743379356 1058984109 /nfs/dbraw/zinc/98/41/09/1058984109.db2.gz NNVXELRBFHTCRK-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000743379356 1058984136 /nfs/dbraw/zinc/98/41/36/1058984136.db2.gz NNVXELRBFHTCRK-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC000743379358 1058986116 /nfs/dbraw/zinc/98/61/16/1058986116.db2.gz NNVXELRBFHTCRK-ZBFHGGJFSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC000743379358 1058986135 /nfs/dbraw/zinc/98/61/35/1058986135.db2.gz NNVXELRBFHTCRK-ZBFHGGJFSA-N 1 1 334.533 4.336 20 30 EIEDMO CCCCCC[C@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000743450176 1059000232 /nfs/dbraw/zinc/00/02/32/1059000232.db2.gz HDKXASDZBQPPQB-ROUUACIJSA-N 1 1 330.520 4.228 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1O ZINC000743872820 1059193101 /nfs/dbraw/zinc/19/31/01/1059193101.db2.gz AQGJNPAKQWDGMF-UHFFFAOYSA-N 1 1 345.240 4.048 20 30 EIEDMO CC(C)[N@@H+](Cc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147013 1059293150 /nfs/dbraw/zinc/29/31/50/1059293150.db2.gz MNCYFVDGBFBEOG-UHFFFAOYSA-N 1 1 336.464 4.351 20 30 EIEDMO CC(C)[N@H+](Cc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147013 1059293172 /nfs/dbraw/zinc/29/31/72/1059293172.db2.gz MNCYFVDGBFBEOG-UHFFFAOYSA-N 1 1 336.464 4.351 20 30 EIEDMO CC(C)[N@@H+](CCC#N)Cc1c(O)ccc2cc(Br)ccc21 ZINC000745437317 1059833103 /nfs/dbraw/zinc/83/31/03/1059833103.db2.gz GNJXUGOCBJTSRE-UHFFFAOYSA-N 1 1 347.256 4.432 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)nc(Cl)c2)C2CC2)cc1 ZINC000746115644 1060040125 /nfs/dbraw/zinc/04/01/25/1060040125.db2.gz WEVMGLBRCHLLMZ-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cc(Cl)nc(Cl)c2)C2CC2)cc1 ZINC000746115644 1060040136 /nfs/dbraw/zinc/04/01/36/1060040136.db2.gz WEVMGLBRCHLLMZ-UHFFFAOYSA-N 1 1 332.234 4.425 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000746151515 1060047060 /nfs/dbraw/zinc/04/70/60/1060047060.db2.gz BZEBJUHYOKPMSE-HXUWFJFHSA-N 1 1 344.405 4.028 20 30 EIEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC001168873325 1060498289 /nfs/dbraw/zinc/49/82/89/1060498289.db2.gz NSPRJFQWBXYCPB-NRFANRHFSA-N 1 1 325.500 4.010 20 30 EIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)cc1OC)[C@H]2C ZINC001169163002 1060674148 /nfs/dbraw/zinc/67/41/48/1060674148.db2.gz KSENSSZRAMHFLJ-CABCVRRESA-N 1 1 336.435 4.083 20 30 EIEDMO N#CCC[N@@H+](C1CCCC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169299579 1060761719 /nfs/dbraw/zinc/76/17/19/1060761719.db2.gz JCEVHAFLTSGMKU-UHFFFAOYSA-N 1 1 340.467 4.313 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169302211 1060762826 /nfs/dbraw/zinc/76/28/26/1060762826.db2.gz YTYWTGDMLPMYIW-UHFFFAOYSA-N 1 1 348.446 4.158 20 30 EIEDMO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000067668339 524097445 /nfs/dbraw/zinc/09/74/45/524097445.db2.gz PCTVJXDVGGCXGM-SFHVURJKSA-N 1 1 333.479 4.080 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000067668339 524097454 /nfs/dbraw/zinc/09/74/54/524097454.db2.gz PCTVJXDVGGCXGM-SFHVURJKSA-N 1 1 333.479 4.080 20 30 EIEDMO C=C(Cl)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000759911369 1023818829 /nfs/dbraw/zinc/81/88/29/1023818829.db2.gz REPSJLQJAWXYQN-UHFFFAOYSA-N 1 1 330.653 4.045 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(OCCCC)c(OCC)c1 ZINC000729682935 1032145448 /nfs/dbraw/zinc/14/54/48/1032145448.db2.gz VATDYPSAUQZIIJ-UHFFFAOYSA-N 1 1 342.277 4.262 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475662104 1032214721 /nfs/dbraw/zinc/21/47/21/1032214721.db2.gz PSBXLLQUDPCAAQ-HSZRJFAPSA-N 1 1 348.490 4.057 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)cc1 ZINC000360094241 1032238828 /nfs/dbraw/zinc/23/88/28/1032238828.db2.gz ZFKPBDXUIZUFOQ-QFIPXVFZSA-N 1 1 346.405 4.112 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245734242 1032447219 /nfs/dbraw/zinc/44/72/19/1032447219.db2.gz KHQJAXHTJKSEDN-RTBURBONSA-N 1 1 330.497 4.229 20 30 EIEDMO CCOc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(F)cc1OC ZINC000529609862 1032475722 /nfs/dbraw/zinc/47/57/22/1032475722.db2.gz BCNGYXRUDQYXEZ-AWEZNQCLSA-N 1 1 342.414 4.298 20 30 EIEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(F)cc1OC ZINC000529609862 1032475731 /nfs/dbraw/zinc/47/57/31/1032475731.db2.gz BCNGYXRUDQYXEZ-AWEZNQCLSA-N 1 1 342.414 4.298 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245813244 1032494045 /nfs/dbraw/zinc/49/40/45/1032494045.db2.gz ZREOODVFPUUCNB-UZLBHIALSA-N 1 1 336.435 4.323 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000179848593 1032574506 /nfs/dbraw/zinc/57/45/06/1032574506.db2.gz ZNUPDJTYEAIFMO-HNNXBMFYSA-N 1 1 331.419 4.017 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000179848593 1032574535 /nfs/dbraw/zinc/57/45/35/1032574535.db2.gz ZNUPDJTYEAIFMO-HNNXBMFYSA-N 1 1 331.419 4.017 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000450661381 1032629244 /nfs/dbraw/zinc/62/92/44/1032629244.db2.gz DTIMWAACJULHAK-OAHLLOKOSA-N 1 1 328.456 4.361 20 30 EIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000432775346 1032767408 /nfs/dbraw/zinc/76/74/08/1032767408.db2.gz UMRCLIDEPXPWJA-OAHLLOKOSA-N 1 1 347.418 4.326 20 30 EIEDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126851461 1018920666 /nfs/dbraw/zinc/92/06/66/1018920666.db2.gz DNLGMKMMBKAOBE-RTWAWAEBSA-N 1 1 349.478 4.022 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064709 1019222388 /nfs/dbraw/zinc/22/23/88/1019222388.db2.gz XSHWWRGJUAXPFN-RTBURBONSA-N 1 1 326.827 4.082 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000610212090 1019359652 /nfs/dbraw/zinc/35/96/52/1019359652.db2.gz KMSIBCZKIZHNSG-UHFFFAOYSA-N 1 1 341.432 4.469 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC001167070781 1019408958 /nfs/dbraw/zinc/40/89/58/1019408958.db2.gz IXFMSQDLGGVKJG-OAQYLSRUSA-N 1 1 334.463 4.424 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000285701977 1019438737 /nfs/dbraw/zinc/43/87/37/1019438737.db2.gz OIPIWHVOTJUUED-BEFAXECRSA-N 1 1 344.418 4.191 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001203385878 1019577163 /nfs/dbraw/zinc/57/71/63/1019577163.db2.gz XKTJQIBTIYZWDK-SFHVURJKSA-N 1 1 326.827 4.255 20 30 EIEDMO COCCC[N@H+]1Cc2ccc(N=Cc3cc(Cl)ccc3O)cc2C1 ZINC000254964093 1019627524 /nfs/dbraw/zinc/62/75/24/1019627524.db2.gz NEEFLDYQZFWHGQ-UHFFFAOYSA-N 1 1 344.842 4.148 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1c(C)nc2sc(C)nn21)c1ccc(F)c(F)c1 ZINC000274947599 1019872621 /nfs/dbraw/zinc/87/26/21/1019872621.db2.gz RPQNHRZOLSJEFZ-INIZCTEOSA-N 1 1 348.422 4.093 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179848573 1019909751 /nfs/dbraw/zinc/90/97/51/1019909751.db2.gz WDHMUMSIRNRZJP-UHFFFAOYSA-N 1 1 345.446 4.409 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179848573 1019909763 /nfs/dbraw/zinc/90/97/63/1019909763.db2.gz WDHMUMSIRNRZJP-UHFFFAOYSA-N 1 1 345.446 4.409 20 30 EIEDMO C=CCc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1O ZINC000180029064 1020033835 /nfs/dbraw/zinc/03/38/35/1020033835.db2.gz DHYHAZVZRCUIMX-UHFFFAOYSA-N 1 1 348.446 4.166 20 30 EIEDMO CC[N@H+](Cc1ccc(C(=O)OC)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000547766157 1020170282 /nfs/dbraw/zinc/17/02/82/1020170282.db2.gz BIBWGODPEUUAPE-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000547766157 1020170296 /nfs/dbraw/zinc/17/02/96/1020170296.db2.gz BIBWGODPEUUAPE-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001167115497 1020211737 /nfs/dbraw/zinc/21/17/37/1020211737.db2.gz CQDYZCFNBVHXRZ-GOSISDBHSA-N 1 1 325.500 4.207 20 30 EIEDMO CCCCCCCCC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001167163625 1020443636 /nfs/dbraw/zinc/44/36/36/1020443636.db2.gz ITZMQCDACFNGAH-UHFFFAOYSA-N 1 1 334.504 4.405 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1F ZINC000578427860 1020465432 /nfs/dbraw/zinc/46/54/32/1020465432.db2.gz IZGCFOHDFWIPDO-JTQLQIEISA-N 1 1 338.304 4.289 20 30 EIEDMO C#CC[N@H+](C[C@H](C)COCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001167178902 1020487017 /nfs/dbraw/zinc/48/70/17/1020487017.db2.gz OQRCHKJRTAYKEX-WMZHIEFXSA-N 1 1 333.475 4.462 20 30 EIEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510225570 1020510163 /nfs/dbraw/zinc/51/01/63/1020510163.db2.gz YNDDIGHKFQSHPE-UHFFFAOYSA-N 1 1 347.528 4.338 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285965 1020851253 /nfs/dbraw/zinc/85/12/53/1020851253.db2.gz DFGLWDRZGUHHAA-SFHVURJKSA-N 1 1 325.839 4.190 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC2(c3ccccc3)COC2)cc1 ZINC001167301339 1020978757 /nfs/dbraw/zinc/97/87/57/1020978757.db2.gz AIBIFLASWYOXGS-JOCHJYFZSA-N 1 1 348.490 4.390 20 30 EIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC2(CC#N)CC2)cc1OC ZINC001167302376 1020978853 /nfs/dbraw/zinc/97/88/53/1020978853.db2.gz PBHIREDZOFLJDG-GOSISDBHSA-N 1 1 342.483 4.185 20 30 EIEDMO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964386 1021048583 /nfs/dbraw/zinc/04/85/83/1021048583.db2.gz POBZZPASVJMKCV-HZPDHXFCSA-N 1 1 339.508 4.496 20 30 EIEDMO CCCCCCC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC001167321388 1021088742 /nfs/dbraw/zinc/08/87/42/1021088742.db2.gz HHBMETUUQDQDKW-UHFFFAOYSA-N 1 1 346.284 4.353 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179972753 1021195614 /nfs/dbraw/zinc/19/56/14/1021195614.db2.gz PLSGEXPCZHBIAU-HXUWFJFHSA-N 1 1 334.467 4.113 20 30 EIEDMO COc1cccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000177616529 1021467743 /nfs/dbraw/zinc/46/77/43/1021467743.db2.gz DBTZFNZHTZRIME-FMIVXFBMSA-N 1 1 348.402 4.094 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCc2ccccn2)c1 ZINC000180053805 1021533527 /nfs/dbraw/zinc/53/35/27/1021533527.db2.gz HLOMOKFLMKOSJL-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000610367486 1021542873 /nfs/dbraw/zinc/54/28/73/1021542873.db2.gz JORDGSQCKKTUAO-OLMNPRSZSA-N 1 1 336.439 4.009 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000177969729 1021834918 /nfs/dbraw/zinc/83/49/18/1021834918.db2.gz AYTUCNCXOFKICM-MRXNPFEDSA-N 1 1 332.403 4.204 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000356196021 1021857001 /nfs/dbraw/zinc/85/70/01/1021857001.db2.gz SQINLHXETUNUSP-UHFFFAOYSA-N 1 1 325.359 4.058 20 30 EIEDMO C=CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001167390908 1021954119 /nfs/dbraw/zinc/95/41/19/1021954119.db2.gz BZGZVMYKFFDZCW-SFHVURJKSA-N 1 1 336.520 4.312 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430909 1022011736 /nfs/dbraw/zinc/01/17/36/1022011736.db2.gz HXOBHTQIGOWVSS-PKOBYXMFSA-N 1 1 334.467 4.108 20 30 EIEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000134258089 1022176569 /nfs/dbraw/zinc/17/65/69/1022176569.db2.gz SGGWSTLEQGKZDJ-IBGZPJMESA-N 1 1 347.462 4.012 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000472935163 1022340712 /nfs/dbraw/zinc/34/07/12/1022340712.db2.gz NJFABAHHRXTSQQ-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000187794121 1022391224 /nfs/dbraw/zinc/39/12/24/1022391224.db2.gz JDSQIFHUMSSHEV-SFHVURJKSA-N 1 1 349.352 4.298 20 30 EIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000060332679 1022605665 /nfs/dbraw/zinc/60/56/65/1022605665.db2.gz WOXLKQFLFZLSAK-OAHLLOKOSA-N 1 1 340.254 4.090 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c(F)c1 ZINC000177857047 1022674115 /nfs/dbraw/zinc/67/41/15/1022674115.db2.gz MRQOHBLDBSHGGP-QGZVFWFLSA-N 1 1 330.790 4.354 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1OC(F)(F)F ZINC000177856687 1022702138 /nfs/dbraw/zinc/70/21/38/1022702138.db2.gz LQMWHIGBGDBVLX-NSHDSACASA-N 1 1 338.304 4.447 20 30 EIEDMO C[N@H+](CC(C)(C)CCC#N)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378342327 1022722489 /nfs/dbraw/zinc/72/24/89/1022722489.db2.gz OFZXMKFLRLZRLF-QGZVFWFLSA-N 1 1 342.874 4.481 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378342327 1022722508 /nfs/dbraw/zinc/72/25/08/1022722508.db2.gz OFZXMKFLRLZRLF-QGZVFWFLSA-N 1 1 342.874 4.481 20 30 EIEDMO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000177860676 1022723504 /nfs/dbraw/zinc/72/35/04/1022723504.db2.gz WJKXCCFDGGGUHW-NSHDSACASA-N 1 1 348.805 4.219 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000378614793 1022893487 /nfs/dbraw/zinc/89/34/87/1022893487.db2.gz HTHDKZWNUCKDFM-RTWAWAEBSA-N 1 1 338.495 4.020 20 30 EIEDMO C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167707265 1022953412 /nfs/dbraw/zinc/95/34/12/1022953412.db2.gz MNSOCHURJZRWAJ-HNNXBMFYSA-N 1 1 341.418 4.042 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548298 1022975340 /nfs/dbraw/zinc/97/53/40/1022975340.db2.gz WVFHCVOJZHNUJN-HZPDHXFCSA-N 1 1 346.475 4.168 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548298 1022975376 /nfs/dbraw/zinc/97/53/76/1022975376.db2.gz WVFHCVOJZHNUJN-HZPDHXFCSA-N 1 1 346.475 4.168 20 30 EIEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125895438 1023096625 /nfs/dbraw/zinc/09/66/25/1023096625.db2.gz FZSWBDVXVWTORN-SFHVURJKSA-N 1 1 334.891 4.167 20 30 EIEDMO C=C(C)C[N@H+](CCc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512542861 1033113153 /nfs/dbraw/zinc/11/31/53/1033113153.db2.gz WATWFMVDSACFEA-UHFFFAOYSA-N 1 1 327.472 4.093 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461606 1023208997 /nfs/dbraw/zinc/20/89/97/1023208997.db2.gz NLXXYMCKGRYLIZ-IBGZPJMESA-N 1 1 328.500 4.395 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC001167461301 1023209629 /nfs/dbraw/zinc/20/96/29/1023209629.db2.gz DWUZTIJLEPZDNO-INIZCTEOSA-N 1 1 332.513 4.192 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000510432927 1023369818 /nfs/dbraw/zinc/36/98/18/1023369818.db2.gz ZUSJTXZKBDSDMU-NRFANRHFSA-N 1 1 347.462 4.475 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000510432927 1023369824 /nfs/dbraw/zinc/36/98/24/1023369824.db2.gz ZUSJTXZKBDSDMU-NRFANRHFSA-N 1 1 347.462 4.475 20 30 EIEDMO N#CCSCCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180458 1023434130 /nfs/dbraw/zinc/43/41/30/1023434130.db2.gz PAZFVFVDOSQETG-HNNXBMFYSA-N 1 1 346.393 4.223 20 30 EIEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144864 1023561434 /nfs/dbraw/zinc/56/14/34/1023561434.db2.gz VHAYYGPSKWJNJI-UHFFFAOYSA-N 1 1 336.483 4.012 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000418146548 1023564097 /nfs/dbraw/zinc/56/40/97/1023564097.db2.gz PWWUOKFRLKCDLP-CYBMUJFWSA-N 1 1 337.370 4.201 20 30 EIEDMO C[C@@]1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCOc2ccccc21 ZINC000933369723 1023590875 /nfs/dbraw/zinc/59/08/75/1023590875.db2.gz OZFBJBPMCQIFTH-LJQANCHMSA-N 1 1 342.826 4.030 20 30 EIEDMO CCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000511667435 1023825451 /nfs/dbraw/zinc/82/54/51/1023825451.db2.gz OIUBGCLQOQPLDG-FUHWJXTLSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511667435 1023825453 /nfs/dbraw/zinc/82/54/53/1023825453.db2.gz OIUBGCLQOQPLDG-FUHWJXTLSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511667435 1023825456 /nfs/dbraw/zinc/82/54/56/1023825456.db2.gz OIUBGCLQOQPLDG-FUHWJXTLSA-N 1 1 339.508 4.277 20 30 EIEDMO CCN(Cc1cc(C#N)cs1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000511668113 1023828364 /nfs/dbraw/zinc/82/83/64/1023828364.db2.gz RLZAVZVXMXPTTA-QFBILLFUSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511668113 1023828371 /nfs/dbraw/zinc/82/83/71/1023828371.db2.gz RLZAVZVXMXPTTA-QFBILLFUSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511668113 1023828376 /nfs/dbraw/zinc/82/83/76/1023828376.db2.gz RLZAVZVXMXPTTA-QFBILLFUSA-N 1 1 339.508 4.277 20 30 EIEDMO Cc1nsc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000341532089 1023833501 /nfs/dbraw/zinc/83/35/01/1023833501.db2.gz ZVNSLBBUQJIIAS-AWEZNQCLSA-N 1 1 340.496 4.167 20 30 EIEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066856128 1023845562 /nfs/dbraw/zinc/84/55/62/1023845562.db2.gz FKKLVLSLDMXPFM-CQSZACIVSA-N 1 1 342.468 4.005 20 30 EIEDMO Cc1nsc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C#N ZINC000341549340 1023863859 /nfs/dbraw/zinc/86/38/59/1023863859.db2.gz OWIAWBQJRUSIAW-CQSZACIVSA-N 1 1 340.496 4.310 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341574919 1023882504 /nfs/dbraw/zinc/88/25/04/1023882504.db2.gz PIAITZHXLFIIFK-INIZCTEOSA-N 1 1 334.341 4.350 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341578184 1023883442 /nfs/dbraw/zinc/88/34/42/1023883442.db2.gz XFQXASUDTJHQHW-INIZCTEOSA-N 1 1 334.341 4.350 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492420 1023956144 /nfs/dbraw/zinc/95/61/44/1023956144.db2.gz SCPPITOWLHDZOG-SFTDATJTSA-N 1 1 347.462 4.073 20 30 EIEDMO C[N@@H+](CCNc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000395355237 1024102853 /nfs/dbraw/zinc/10/28/53/1024102853.db2.gz JPUACYACEIONDI-UHFFFAOYSA-N 1 1 333.357 4.121 20 30 EIEDMO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(OC)cc1 ZINC000510660323 1024190481 /nfs/dbraw/zinc/19/04/81/1024190481.db2.gz VMGYVSFNPBUGSW-UHFFFAOYSA-N 1 1 341.499 4.452 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(OC)cc1 ZINC000510660323 1024190500 /nfs/dbraw/zinc/19/05/00/1024190500.db2.gz VMGYVSFNPBUGSW-UHFFFAOYSA-N 1 1 341.499 4.452 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C ZINC000661760284 1024480209 /nfs/dbraw/zinc/48/02/09/1024480209.db2.gz OZYGDFPEVGWTQP-UHFFFAOYSA-N 1 1 328.378 4.321 20 30 EIEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n2)ccc1F ZINC000893979424 1033217983 /nfs/dbraw/zinc/21/79/83/1033217983.db2.gz KBZZQOKMYKOZIL-STQMWFEESA-N 1 1 330.407 4.163 20 30 EIEDMO C=C(C)C[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000549811082 1033227064 /nfs/dbraw/zinc/22/70/64/1033227064.db2.gz YVKWDVJYTHKDBT-UHFFFAOYSA-N 1 1 346.478 4.462 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187689129 1025094891 /nfs/dbraw/zinc/09/48/91/1025094891.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187689129 1025094904 /nfs/dbraw/zinc/09/49/04/1025094904.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689129 1025094920 /nfs/dbraw/zinc/09/49/20/1025094920.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187689129 1025094936 /nfs/dbraw/zinc/09/49/36/1025094936.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264185 1025135471 /nfs/dbraw/zinc/13/54/71/1025135471.db2.gz XAQMXGHZNKLDKY-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264185 1025135481 /nfs/dbraw/zinc/13/54/81/1025135481.db2.gz XAQMXGHZNKLDKY-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264170 1025136307 /nfs/dbraw/zinc/13/63/07/1025136307.db2.gz XAQMXGHZNKLDKY-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264170 1025136323 /nfs/dbraw/zinc/13/63/23/1025136323.db2.gz XAQMXGHZNKLDKY-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C(C)(C)C)cc1 ZINC000610993791 1025229405 /nfs/dbraw/zinc/22/94/05/1025229405.db2.gz AZQNJRRIKLLSTJ-UHFFFAOYSA-N 1 1 335.451 4.319 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)C2CC2)cc1 ZINC000506731132 1025520417 /nfs/dbraw/zinc/52/04/17/1025520417.db2.gz PSOXZYNMKJBXHL-AWEZNQCLSA-N 1 1 326.465 4.429 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2CC[C@H](C(=O)OC)CC2)cc1 ZINC001167830219 1025718401 /nfs/dbraw/zinc/71/84/01/1025718401.db2.gz CPTTTWSISWWBPF-IHPCNDPISA-N 1 1 342.483 4.153 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCc2c1cccc2Cl ZINC000512177644 1026236536 /nfs/dbraw/zinc/23/65/36/1026236536.db2.gz HCICPPWEFSPXBD-IBGZPJMESA-N 1 1 331.843 4.491 20 30 EIEDMO C=CCCc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000582163862 1026292698 /nfs/dbraw/zinc/29/26/98/1026292698.db2.gz HGQGAMDQFANHMY-HNNXBMFYSA-N 1 1 326.444 4.162 20 30 EIEDMO CCCCCCCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC001167553269 1026300611 /nfs/dbraw/zinc/30/06/11/1026300611.db2.gz DHQBYXIYHLNAAO-UHFFFAOYSA-N 1 1 330.472 4.362 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000187724518 1026304682 /nfs/dbraw/zinc/30/46/82/1026304682.db2.gz UYMQXXBUCJWDKH-CVEARBPZSA-N 1 1 325.481 4.060 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724534 1026307226 /nfs/dbraw/zinc/30/72/26/1026307226.db2.gz UYMQXXBUCJWDKH-JKSUJKDBSA-N 1 1 325.481 4.060 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)cc1 ZINC000255498138 1026333575 /nfs/dbraw/zinc/33/35/75/1026333575.db2.gz JIJKHPCFLKHZJR-FLIBITNWSA-N 1 1 348.450 4.108 20 30 EIEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198493 1026417551 /nfs/dbraw/zinc/41/75/51/1026417551.db2.gz SYDIRWPCKZZTJS-PGRDOPGGSA-N 1 1 345.490 4.284 20 30 EIEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198493 1026417556 /nfs/dbraw/zinc/41/75/56/1026417556.db2.gz SYDIRWPCKZZTJS-PGRDOPGGSA-N 1 1 345.490 4.284 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562000 1026424275 /nfs/dbraw/zinc/42/42/75/1026424275.db2.gz DGQPEDJXKVKXNT-ZWKOTPCHSA-N 1 1 336.520 4.195 20 30 EIEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204187 1026458586 /nfs/dbraw/zinc/45/85/86/1026458586.db2.gz SNTZSBJSXRCDNS-UWJYYQICSA-N 1 1 347.462 4.360 20 30 EIEDMO C[N@H+](Cc1cc(Br)ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000563319739 1026533426 /nfs/dbraw/zinc/53/34/26/1026533426.db2.gz GINXSMFVPMOJHY-ZWNOBZJWSA-N 1 1 327.653 4.227 20 30 EIEDMO C[N@@H+](Cc1cc(Br)ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000563319739 1026533440 /nfs/dbraw/zinc/53/34/40/1026533440.db2.gz GINXSMFVPMOJHY-ZWNOBZJWSA-N 1 1 327.653 4.227 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)o1 ZINC000467037614 1026569111 /nfs/dbraw/zinc/56/91/11/1026569111.db2.gz XDFWQROCDCCBCN-GOSISDBHSA-N 1 1 329.827 4.268 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)o1 ZINC000467037614 1026569121 /nfs/dbraw/zinc/56/91/21/1026569121.db2.gz XDFWQROCDCCBCN-GOSISDBHSA-N 1 1 329.827 4.268 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000563366096 1026692902 /nfs/dbraw/zinc/69/29/02/1026692902.db2.gz IKKWHOXSZCDYCC-HNNXBMFYSA-N 1 1 333.501 4.140 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000507190550 1026695856 /nfs/dbraw/zinc/69/58/56/1026695856.db2.gz MFMDHVUEWUGGPX-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OC(F)F ZINC000507208694 1026699857 /nfs/dbraw/zinc/69/98/57/1026699857.db2.gz HGGPGSHRJNUFAZ-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OC(F)F ZINC000507208694 1026699862 /nfs/dbraw/zinc/69/98/62/1026699862.db2.gz HGGPGSHRJNUFAZ-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO CCCCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000507209824 1026702039 /nfs/dbraw/zinc/70/20/39/1026702039.db2.gz JQCYQYQXLJEJJX-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000507212216 1026703197 /nfs/dbraw/zinc/70/31/97/1026703197.db2.gz OHCYVWLNCCQTOJ-UHFFFAOYSA-N 1 1 338.451 4.376 20 30 EIEDMO C=C(C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000427537251 1026886199 /nfs/dbraw/zinc/88/61/99/1026886199.db2.gz OUTVXSDQFWCYAX-LBPRGKRZSA-N 1 1 335.220 4.347 20 30 EIEDMO Cc1csc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000116382846 1026891439 /nfs/dbraw/zinc/89/14/39/1026891439.db2.gz OCABDZQORLBTMM-UHFFFAOYSA-N 1 1 329.469 4.159 20 30 EIEDMO C=CCC[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000342740230 1026926473 /nfs/dbraw/zinc/92/64/73/1026926473.db2.gz RCJDBZPQXQQMMH-UHFFFAOYSA-N 1 1 325.437 4.072 20 30 EIEDMO C=CCC[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000342740230 1026926482 /nfs/dbraw/zinc/92/64/82/1026926482.db2.gz RCJDBZPQXQQMMH-UHFFFAOYSA-N 1 1 325.437 4.072 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000507731823 1027143899 /nfs/dbraw/zinc/14/38/99/1027143899.db2.gz KTMJQICGVIHSGY-UHFFFAOYSA-N 1 1 348.494 4.212 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000185464862 1027225792 /nfs/dbraw/zinc/22/57/92/1027225792.db2.gz FQAVZBYRYIKNOQ-JKSUJKDBSA-N 1 1 325.481 4.060 20 30 EIEDMO C[C@H](c1ccsc1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000185464862 1027225864 /nfs/dbraw/zinc/22/58/64/1027225864.db2.gz FQAVZBYRYIKNOQ-JKSUJKDBSA-N 1 1 325.481 4.060 20 30 EIEDMO C=CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195059 1027301599 /nfs/dbraw/zinc/30/15/99/1027301599.db2.gz RHWVEEBIMGJZRT-GOSISDBHSA-N 1 1 347.466 4.028 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000078338420 1027322181 /nfs/dbraw/zinc/32/21/81/1027322181.db2.gz YRWYFDYHFZEDDO-RDTXWAMCSA-N 1 1 329.444 4.254 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000441175426 1027328984 /nfs/dbraw/zinc/32/89/84/1027328984.db2.gz XPDYZYOIJFWTEK-UHFFFAOYSA-N 1 1 347.849 4.357 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000441175426 1027328995 /nfs/dbraw/zinc/32/89/95/1027328995.db2.gz XPDYZYOIJFWTEK-UHFFFAOYSA-N 1 1 347.849 4.357 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC#Cc1ccccc1Cl)CCC2 ZINC000441245915 1027378585 /nfs/dbraw/zinc/37/85/85/1027378585.db2.gz NWOJTRYBUHMVNX-QGZVFWFLSA-N 1 1 330.884 4.466 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC#Cc1ccccc1Cl)CCC2 ZINC000441245915 1027378597 /nfs/dbraw/zinc/37/85/97/1027378597.db2.gz NWOJTRYBUHMVNX-QGZVFWFLSA-N 1 1 330.884 4.466 20 30 EIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000277915679 1027416061 /nfs/dbraw/zinc/41/60/61/1027416061.db2.gz GZOSNOLUQCYDMW-UHFFFAOYSA-N 1 1 329.488 4.366 20 30 EIEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCC(C#N)CC1 ZINC000441344287 1027480188 /nfs/dbraw/zinc/48/01/88/1027480188.db2.gz DQKIDTVBQGVIIU-UHFFFAOYSA-N 1 1 327.516 4.064 20 30 EIEDMO C[C@H]1C[C@H](N(C)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000523087230 1027487045 /nfs/dbraw/zinc/48/70/45/1027487045.db2.gz VGCVKMKDDZZDDM-FUHWJXTLSA-N 1 1 337.442 4.187 20 30 EIEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1nc2ccccc2o1 ZINC000329143716 1027611321 /nfs/dbraw/zinc/61/13/21/1027611321.db2.gz VRWFRVUUHFNXQL-XHSDSOJGSA-N 1 1 343.471 4.083 20 30 EIEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000329156560 1027614179 /nfs/dbraw/zinc/61/41/79/1027614179.db2.gz VSBCDZCKJUFZCQ-HUUCEWRRSA-N 1 1 346.471 4.192 20 30 EIEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428360339 1027640396 /nfs/dbraw/zinc/64/03/96/1027640396.db2.gz CUQYPCOHXLXGOR-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO CC1(C)OCc2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC000186611626 1027664274 /nfs/dbraw/zinc/66/42/74/1027664274.db2.gz XDFKBFUTJNHAQL-UHFFFAOYSA-N 1 1 348.446 4.368 20 30 EIEDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258957 1027676072 /nfs/dbraw/zinc/67/60/72/1027676072.db2.gz AILBLVLZBRSSSL-JKSUJKDBSA-N 1 1 347.484 4.060 20 30 EIEDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258957 1027676074 /nfs/dbraw/zinc/67/60/74/1027676074.db2.gz AILBLVLZBRSSSL-JKSUJKDBSA-N 1 1 347.484 4.060 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428364217 1027707834 /nfs/dbraw/zinc/70/78/34/1027707834.db2.gz PCEVIHYKDNGEFP-QGZVFWFLSA-N 1 1 343.490 4.174 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001168074706 1027732177 /nfs/dbraw/zinc/73/21/77/1027732177.db2.gz WZSDVOYBRKCKOZ-KRWDZBQOSA-N 1 1 335.451 4.106 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329358373 1027746703 /nfs/dbraw/zinc/74/67/03/1027746703.db2.gz XCEGQHINYZSYIC-DAYGRLMNSA-N 1 1 344.503 4.205 20 30 EIEDMO CC(=O)NC1(c2noc([C@H](C)[NH+]3CCCCCC3)n2)CCCCC1 ZINC000328612534 1027783810 /nfs/dbraw/zinc/78/38/10/1027783810.db2.gz PNZWIKQPHFEQNJ-AWEZNQCLSA-N 1 1 334.464 4.142 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328720212 1027793064 /nfs/dbraw/zinc/79/30/64/1027793064.db2.gz VZAITPPXAGYIFO-ZBFHGGJFSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328720212 1027793086 /nfs/dbraw/zinc/79/30/86/1027793086.db2.gz VZAITPPXAGYIFO-ZBFHGGJFSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686332 1027795478 /nfs/dbraw/zinc/79/54/78/1027795478.db2.gz GFUWJOQTWLPIEW-HUUCEWRRSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686332 1027795497 /nfs/dbraw/zinc/79/54/97/1027795497.db2.gz GFUWJOQTWLPIEW-HUUCEWRRSA-N 1 1 346.862 4.159 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)CC2(CCCC2)O1 ZINC000443786347 1027850787 /nfs/dbraw/zinc/85/07/87/1027850787.db2.gz GMEAVRZWGXCHQQ-UHFFFAOYSA-N 1 1 342.483 4.293 20 30 EIEDMO O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329571573 1027857315 /nfs/dbraw/zinc/85/73/15/1027857315.db2.gz QSEDFLGECOXOJP-OAHLLOKOSA-N 1 1 345.491 4.026 20 30 EIEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676273 1027958093 /nfs/dbraw/zinc/95/80/93/1027958093.db2.gz NPLJJJVZRJACSA-CXAGYDPISA-N 1 1 333.863 4.051 20 30 EIEDMO N#CC(CC[N@@H+]1CCOC2(CCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444684741 1027966965 /nfs/dbraw/zinc/96/69/65/1027966965.db2.gz LRMYQSOBEWWRBG-UHFFFAOYSA-N 1 1 346.474 4.141 20 30 EIEDMO N#CC(CC[N@H+]1CCOC2(CCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444684741 1027966983 /nfs/dbraw/zinc/96/69/83/1027966983.db2.gz LRMYQSOBEWWRBG-UHFFFAOYSA-N 1 1 346.474 4.141 20 30 EIEDMO C[C@@H](NC1(C[NH2+]Cc2cc(C#N)cs2)CCCC1)c1ccccc1 ZINC000237403241 1028020280 /nfs/dbraw/zinc/02/02/80/1028020280.db2.gz MZBVCTCDBYCMCB-MRXNPFEDSA-N 1 1 339.508 4.373 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000468285981 1028035470 /nfs/dbraw/zinc/03/54/70/1028035470.db2.gz KZVVGZZYFNHQJP-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000468285981 1028035488 /nfs/dbraw/zinc/03/54/88/1028035488.db2.gz KZVVGZZYFNHQJP-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO O=C(Nc1csc(-c2ccccn2)n1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329754788 1028114525 /nfs/dbraw/zinc/11/45/25/1028114525.db2.gz LAEHIGINGOZJOR-OAHLLOKOSA-N 1 1 342.468 4.200 20 30 EIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCCC1=CCCCC1 ZINC000329829017 1028133091 /nfs/dbraw/zinc/13/30/91/1028133091.db2.gz SAOLJJBFDJXPJR-ZCNNSNEGSA-N 1 1 348.531 4.239 20 30 EIEDMO C=C1CC(c2noc([C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)C1 ZINC000896881137 1028163216 /nfs/dbraw/zinc/16/32/16/1028163216.db2.gz AJYUZBOTOBEMTK-HNNXBMFYSA-N 1 1 338.455 4.477 20 30 EIEDMO N#CC[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000330007557 1028181813 /nfs/dbraw/zinc/18/18/13/1028181813.db2.gz DQMNZYFLJOZUMD-MSOLQXFVSA-N 1 1 325.456 4.047 20 30 EIEDMO CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)ccc2o1 ZINC000330206116 1028228022 /nfs/dbraw/zinc/22/80/22/1028228022.db2.gz CZSTXCNFACELLH-OAHLLOKOSA-N 1 1 327.428 4.340 20 30 EIEDMO Cn1c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2nc1C1CC1 ZINC000330301547 1028360605 /nfs/dbraw/zinc/36/06/05/1028360605.db2.gz NVWISBNERLUKQP-MRXNPFEDSA-N 1 1 340.471 4.303 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1 ZINC000346339291 1028391800 /nfs/dbraw/zinc/39/18/00/1028391800.db2.gz RZTNJFVAOJBHBN-KRWDZBQOSA-N 1 1 336.483 4.332 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445440328 1028560639 /nfs/dbraw/zinc/56/06/39/1028560639.db2.gz ORFLTJBQUGKQJI-ZHRRBRCNSA-N 1 1 332.447 4.181 20 30 EIEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445440328 1028560642 /nfs/dbraw/zinc/56/06/42/1028560642.db2.gz ORFLTJBQUGKQJI-ZHRRBRCNSA-N 1 1 332.447 4.181 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187782420 1028835351 /nfs/dbraw/zinc/83/53/51/1028835351.db2.gz WFCCZJGUDQUPAB-UGSOOPFHSA-N 1 1 330.378 4.199 20 30 EIEDMO CC(C)C(N)=[NH+]O[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000128468557 1028887799 /nfs/dbraw/zinc/88/77/99/1028887799.db2.gz IWONQTVNUKLIPQ-MRVPVSSYSA-N 1 1 343.214 4.049 20 30 EIEDMO C=CCCCN(C)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000522979535 1029145145 /nfs/dbraw/zinc/14/51/45/1029145145.db2.gz ZACJHFQSQUYTSV-UHFFFAOYSA-N 1 1 344.528 4.306 20 30 EIEDMO CC1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000357955896 1029166138 /nfs/dbraw/zinc/16/61/38/1029166138.db2.gz XVSWFMDESDKQMF-UHFFFAOYSA-N 1 1 347.890 4.099 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1OCCCC#N ZINC000131127666 1029284872 /nfs/dbraw/zinc/28/48/72/1029284872.db2.gz NSWZRJJLAIGNKK-OAHLLOKOSA-N 1 1 328.412 4.164 20 30 EIEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583900974 1029346507 /nfs/dbraw/zinc/34/65/07/1029346507.db2.gz FOYAMOFETUSCBW-JKSUJKDBSA-N 1 1 347.528 4.387 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000523009843 1029367856 /nfs/dbraw/zinc/36/78/56/1029367856.db2.gz LYEBEQJXZFZKEC-UHFFFAOYSA-N 1 1 334.204 4.449 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000186234568 1029385827 /nfs/dbraw/zinc/38/58/27/1029385827.db2.gz UXCFZTAPMHCEKX-UHFFFAOYSA-N 1 1 336.279 4.183 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000186234568 1029385851 /nfs/dbraw/zinc/38/58/51/1029385851.db2.gz UXCFZTAPMHCEKX-UHFFFAOYSA-N 1 1 336.279 4.183 20 30 EIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000525248944 1029532755 /nfs/dbraw/zinc/53/27/55/1029532755.db2.gz HSMXJBJWLRJTOS-GOSISDBHSA-N 1 1 333.479 4.395 20 30 EIEDMO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475352736 1029566154 /nfs/dbraw/zinc/56/61/54/1029566154.db2.gz CWNXQYPIXUIBKK-GOSISDBHSA-N 1 1 345.899 4.092 20 30 EIEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000584136893 1029642135 /nfs/dbraw/zinc/64/21/35/1029642135.db2.gz VBLMGWGQTXQWCN-KZULUSFZSA-N 1 1 332.806 4.389 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690642 1029696565 /nfs/dbraw/zinc/69/65/65/1029696565.db2.gz SESKNVMRKYGSGJ-SIKLNZKXSA-N 1 1 345.490 4.086 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690630 1029697344 /nfs/dbraw/zinc/69/73/44/1029697344.db2.gz SESKNVMRKYGSGJ-DENIHFKCSA-N 1 1 345.490 4.086 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278723428 1029737664 /nfs/dbraw/zinc/73/76/64/1029737664.db2.gz KTDLLGPALAMIFA-NSHDSACASA-N 1 1 347.178 4.095 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278723428 1029737669 /nfs/dbraw/zinc/73/76/69/1029737669.db2.gz KTDLLGPALAMIFA-NSHDSACASA-N 1 1 347.178 4.095 20 30 EIEDMO COCCCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282003561 1029786626 /nfs/dbraw/zinc/78/66/26/1029786626.db2.gz NRDHJFIGOROVKG-UHFFFAOYSA-N 1 1 344.499 4.016 20 30 EIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000184083763 1030047831 /nfs/dbraw/zinc/04/78/31/1030047831.db2.gz WMVWJQDVYWJINZ-SFHVURJKSA-N 1 1 342.414 4.195 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000184083971 1030048841 /nfs/dbraw/zinc/04/88/41/1030048841.db2.gz SURUMVPLCGYAIX-MRXNPFEDSA-N 1 1 336.464 4.383 20 30 EIEDMO CN(CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000546629242 1030062913 /nfs/dbraw/zinc/06/29/13/1030062913.db2.gz OTNMWQHDJKNPIN-ROUUACIJSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000525948630 1030118723 /nfs/dbraw/zinc/11/87/23/1030118723.db2.gz CKZHCWSWNHHUNN-DLBZAZTESA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000525948630 1030118737 /nfs/dbraw/zinc/11/87/37/1030118737.db2.gz CKZHCWSWNHHUNN-DLBZAZTESA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958355 1030132693 /nfs/dbraw/zinc/13/26/93/1030132693.db2.gz MYYGVAFEHCPPSO-QRVBRYPASA-N 1 1 332.875 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ZINC000447686259 1030274443 /nfs/dbraw/zinc/27/44/43/1030274443.db2.gz POPFXJXEEVXSJD-DYESRHJHSA-N 1 1 348.494 4.150 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451418154 1030481717 /nfs/dbraw/zinc/48/17/17/1030481717.db2.gz MEORTLBNGUXZGY-YTFSRNRJSA-N 1 1 346.474 4.351 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937138 1030524155 /nfs/dbraw/zinc/52/41/55/1030524155.db2.gz ADFDRGNWADSTPW-IBGZPJMESA-N 1 1 341.480 4.471 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937138 1030524169 /nfs/dbraw/zinc/52/41/69/1030524169.db2.gz ADFDRGNWADSTPW-IBGZPJMESA-N 1 1 341.480 4.471 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000508606693 1030528895 /nfs/dbraw/zinc/52/88/95/1030528895.db2.gz YMFZNKVSKLLFDP-UHFFFAOYSA-N 1 1 330.435 4.156 20 30 EIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961088 1030590084 /nfs/dbraw/zinc/59/00/84/1030590084.db2.gz VDHRCZCWBKYVAQ-UWJYYQICSA-N 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N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccccc4)CCCC3)o2)cc1 ZINC000183537522 1036181743 /nfs/dbraw/zinc/18/17/43/1036181743.db2.gz IGWLCWDBRKOCSD-UHFFFAOYSA-N 1 1 344.418 4.167 20 30 EIEDMO C=CCc1cc(C[N@@H+](CCc2nccs2)C(C)C)c(O)c(OC)c1 ZINC000164609220 1036200802 /nfs/dbraw/zinc/20/08/02/1036200802.db2.gz QMVSRAZFTSJCQX-UHFFFAOYSA-N 1 1 346.496 4.039 20 30 EIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCCCC#N)c1 ZINC000588156404 1036229532 /nfs/dbraw/zinc/22/95/32/1036229532.db2.gz DPDRWGMBNRKMEK-UHFFFAOYSA-N 1 1 338.455 4.467 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588156466 1036232214 /nfs/dbraw/zinc/23/22/14/1036232214.db2.gz PMFQNIDOMSKMKL-QGZVFWFLSA-N 1 1 327.472 4.474 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C(C)C ZINC000502500168 1036262825 /nfs/dbraw/zinc/26/28/25/1036262825.db2.gz UJXZOPVWYIBVQX-FQEVSTJZSA-N 1 1 339.479 4.238 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000060592476 1036275626 /nfs/dbraw/zinc/27/56/26/1036275626.db2.gz KCAYDBHVVRVMJQ-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO N#Cc1ccccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000060592476 1036275649 /nfs/dbraw/zinc/27/56/49/1036275649.db2.gz KCAYDBHVVRVMJQ-UHFFFAOYSA-N 1 1 345.421 4.337 20 30 EIEDMO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421357698 1036333667 /nfs/dbraw/zinc/33/36/67/1036333667.db2.gz PZFWQUCQLIIDCG-UHFFFAOYSA-N 1 1 341.430 4.197 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480755 1036462924 /nfs/dbraw/zinc/46/29/24/1036462924.db2.gz XWNUIVBWYRVUFO-NWDGAFQWSA-N 1 1 331.407 4.281 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)[C@H](CC)CN1C[C@H](C)CCC#N ZINC000602494922 1036467946 /nfs/dbraw/zinc/46/79/46/1036467946.db2.gz RAJYMQGHMIIKKY-IYWMVGAKSA-N 1 1 332.536 4.041 20 30 EIEDMO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@H](CC)CN1C[C@@H](C)CCC#N ZINC000602494922 1036467957 /nfs/dbraw/zinc/46/79/57/1036467957.db2.gz RAJYMQGHMIIKKY-IYWMVGAKSA-N 1 1 332.536 4.041 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)[C@H](CC)CN1C[C@@H](C)CCC#N ZINC000602494922 1036467963 /nfs/dbraw/zinc/46/79/63/1036467963.db2.gz RAJYMQGHMIIKKY-IYWMVGAKSA-N 1 1 332.536 4.041 20 30 EIEDMO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(Cl)cc1O ZINC000602582568 1036508946 /nfs/dbraw/zinc/50/89/46/1036508946.db2.gz NSKUIHGRRDTHJN-INIZCTEOSA-N 1 1 330.815 4.189 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681833 1036572980 /nfs/dbraw/zinc/57/29/80/1036572980.db2.gz NBXGILSVCAEQDS-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681833 1036573004 /nfs/dbraw/zinc/57/30/04/1036573004.db2.gz NBXGILSVCAEQDS-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974928 1036693240 /nfs/dbraw/zinc/69/32/40/1036693240.db2.gz VYNAIYBETOTXBB-UYAOXDASSA-N 1 1 333.435 4.063 20 30 EIEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974928 1036693247 /nfs/dbraw/zinc/69/32/47/1036693247.db2.gz VYNAIYBETOTXBB-UYAOXDASSA-N 1 1 333.435 4.063 20 30 EIEDMO N#Cc1csc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)n1 ZINC000598640605 1036730060 /nfs/dbraw/zinc/73/00/60/1036730060.db2.gz WKEYNCRIDOVEKU-UHFFFAOYSA-N 1 1 337.370 4.203 20 30 EIEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000598646274 1036736577 /nfs/dbraw/zinc/73/65/77/1036736577.db2.gz DNCLTLCOBHBTJC-UHFFFAOYSA-N 1 1 345.231 4.460 20 30 EIEDMO CCC[N@@H+](Cc1ccccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502879592 1036747370 /nfs/dbraw/zinc/74/73/70/1036747370.db2.gz ZSGBKZWBSKDCOQ-QGZVFWFLSA-N 1 1 335.451 4.188 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)CC(C)(C)C#N ZINC000598726167 1036763105 /nfs/dbraw/zinc/76/31/05/1036763105.db2.gz OLCXBUUWDUOKHS-FUHWJXTLSA-N 1 1 329.488 4.087 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)CC(C)(C)C#N ZINC000598726167 1036763124 /nfs/dbraw/zinc/76/31/24/1036763124.db2.gz OLCXBUUWDUOKHS-FUHWJXTLSA-N 1 1 329.488 4.087 20 30 EIEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000486736243 1036830726 /nfs/dbraw/zinc/83/07/26/1036830726.db2.gz XGOXBBNTRVNZRT-UHFFFAOYSA-N 1 1 334.891 4.234 20 30 EIEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502945172 1036831752 /nfs/dbraw/zinc/83/17/52/1036831752.db2.gz WFPMNIIBICFXAI-SFHVURJKSA-N 1 1 349.478 4.382 20 30 EIEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794622 1036858053 /nfs/dbraw/zinc/85/80/53/1036858053.db2.gz DMQMABPUJDBPRO-MLGOLLRUSA-N 1 1 333.501 4.076 20 30 EIEDMO Cc1cc(C[N@@H+](C)Cc2cc(Br)cs2)ccc1C#N ZINC000486797680 1036858650 /nfs/dbraw/zinc/85/86/50/1036858650.db2.gz WUYAHTZMYGVSEA-UHFFFAOYSA-N 1 1 335.270 4.323 20 30 EIEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000589984374 1036924857 /nfs/dbraw/zinc/92/48/57/1036924857.db2.gz QYBQLLIHLZXNOZ-NQIIRXRSSA-N 1 1 338.426 4.297 20 30 EIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cc1 ZINC000603838897 1037021229 /nfs/dbraw/zinc/02/12/29/1037021229.db2.gz UVFMWLDMUXRXMV-NRFANRHFSA-N 1 1 336.435 4.173 20 30 EIEDMO N#CCCCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526287 1037057766 /nfs/dbraw/zinc/05/77/66/1037057766.db2.gz JQGJZGOFLJVRGP-OAHLLOKOSA-N 1 1 339.302 4.309 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)c1 ZINC000599553513 1037072960 /nfs/dbraw/zinc/07/29/60/1037072960.db2.gz XYVATZYWMKLKCG-KGLIPLIRSA-N 1 1 326.387 4.047 20 30 EIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H](C#N)CCC#N ZINC000599651350 1037118387 /nfs/dbraw/zinc/11/83/87/1037118387.db2.gz GIRCYGBTMXRNIU-FMKPAKJESA-N 1 1 346.272 4.070 20 30 EIEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000487999412 1037323664 /nfs/dbraw/zinc/32/36/64/1037323664.db2.gz AFWHUWYBAOCONI-UHFFFAOYSA-N 1 1 348.425 4.038 20 30 EIEDMO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604275687 1037325744 /nfs/dbraw/zinc/32/57/44/1037325744.db2.gz AAWOGRURECIAFX-BETUJISGSA-N 1 1 336.279 4.121 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604275687 1037325764 /nfs/dbraw/zinc/32/57/64/1037325764.db2.gz AAWOGRURECIAFX-BETUJISGSA-N 1 1 336.279 4.121 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000488109629 1037361252 /nfs/dbraw/zinc/36/12/52/1037361252.db2.gz UUTZZTNHYQPGDU-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000488109629 1037361269 /nfs/dbraw/zinc/36/12/69/1037361269.db2.gz UUTZZTNHYQPGDU-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H](C#N)CCC#N ZINC000591743592 1037563550 /nfs/dbraw/zinc/56/35/50/1037563550.db2.gz LLUGVZGRKRNKNW-WMLDXEAASA-N 1 1 333.863 4.469 20 30 EIEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667068 1037707442 /nfs/dbraw/zinc/70/74/42/1037707442.db2.gz CUFJFDACYULDDT-IAGOWNOFSA-N 1 1 335.451 4.481 20 30 EIEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667068 1037707464 /nfs/dbraw/zinc/70/74/64/1037707464.db2.gz CUFJFDACYULDDT-IAGOWNOFSA-N 1 1 335.451 4.481 20 30 EIEDMO Cc1cc(C(C)(C)[NH2+]Cc2ccncc2C#N)ccc1Br ZINC000592122916 1037735436 /nfs/dbraw/zinc/73/54/36/1037735436.db2.gz SWKSCPWIUACNKT-UHFFFAOYSA-N 1 1 344.256 4.049 20 30 EIEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000592143813 1037741135 /nfs/dbraw/zinc/74/11/35/1037741135.db2.gz PQGZYVUZUPAYIE-HXUWFJFHSA-N 1 1 344.474 4.323 20 30 EIEDMO CCCn1nccc1C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000503426774 1037761994 /nfs/dbraw/zinc/76/19/94/1037761994.db2.gz BGQQETSTCWFMCO-UHFFFAOYSA-N 1 1 342.874 4.198 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669727834 1037872350 /nfs/dbraw/zinc/87/23/50/1037872350.db2.gz YKRRVYILJYWFCV-HXUWFJFHSA-N 1 1 335.451 4.113 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000669727834 1037872358 /nfs/dbraw/zinc/87/23/58/1037872358.db2.gz YKRRVYILJYWFCV-HXUWFJFHSA-N 1 1 335.451 4.113 20 30 EIEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000593067438 1037901936 /nfs/dbraw/zinc/90/19/36/1037901936.db2.gz SQSPHPYIDJLKGP-MRXNPFEDSA-N 1 1 346.902 4.402 20 30 EIEDMO C=CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679594 1038208023 /nfs/dbraw/zinc/20/80/23/1038208023.db2.gz MTWIIVNJYWCDRH-FGZHOGPDSA-N 1 1 348.490 4.079 20 30 EIEDMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528801 1038287860 /nfs/dbraw/zinc/28/78/60/1038287860.db2.gz GIEMUBOBCDAOHO-ZDUSSCGKSA-N 1 1 340.377 4.496 20 30 EIEDMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528801 1038287868 /nfs/dbraw/zinc/28/78/68/1038287868.db2.gz GIEMUBOBCDAOHO-ZDUSSCGKSA-N 1 1 340.377 4.496 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528378 1038288949 /nfs/dbraw/zinc/28/89/49/1038288949.db2.gz JGJFXTYWXFEQIR-MRXNPFEDSA-N 1 1 335.451 4.141 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528378 1038288960 /nfs/dbraw/zinc/28/89/60/1038288960.db2.gz JGJFXTYWXFEQIR-MRXNPFEDSA-N 1 1 335.451 4.141 20 30 EIEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526643 1038289221 /nfs/dbraw/zinc/28/92/21/1038289221.db2.gz WGHGNVGXBDDRBJ-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526643 1038289224 /nfs/dbraw/zinc/28/92/24/1038289224.db2.gz WGHGNVGXBDDRBJ-MRXNPFEDSA-N 1 1 343.430 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000490092981 1038342676 /nfs/dbraw/zinc/34/26/76/1038342676.db2.gz OMMAZVPMNZWTIG-IBGZPJMESA-N 1 1 328.843 4.226 20 30 EIEDMO C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001168405090 1038389169 /nfs/dbraw/zinc/38/91/69/1038389169.db2.gz WTYJBYIJZCQKOH-IPMKNSEASA-N 1 1 348.531 4.195 20 30 EIEDMO C=CC[N@@H+](CCOCc1ccc(OC)cc1)Cc1ccccc1F ZINC000594721939 1038394841 /nfs/dbraw/zinc/39/48/41/1038394841.db2.gz JSFMMDXLSUFIGQ-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO C=CC[N@H+](CCOCc1ccc(OC)cc1)Cc1ccccc1F ZINC000594721939 1038394854 /nfs/dbraw/zinc/39/48/54/1038394854.db2.gz JSFMMDXLSUFIGQ-UHFFFAOYSA-N 1 1 329.415 4.039 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3coc(-c4cccs4)n3)cc2)CC1 ZINC000594917682 1038425788 /nfs/dbraw/zinc/42/57/88/1038425788.db2.gz LKRPSUXZFJWMLZ-UHFFFAOYSA-N 1 1 335.432 4.248 20 30 EIEDMO C[C@H](NC(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926992 1038430034 /nfs/dbraw/zinc/43/00/34/1038430034.db2.gz STMHRWBDQMXJJY-SFHVURJKSA-N 1 1 347.506 4.461 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577937 1038609862 /nfs/dbraw/zinc/60/98/62/1038609862.db2.gz AJSIFZVDFBGLLU-KRWDZBQOSA-N 1 1 349.478 4.127 20 30 EIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000490405901 1038629765 /nfs/dbraw/zinc/62/97/65/1038629765.db2.gz XNHWGPOAUTVZIL-LBPRGKRZSA-N 1 1 344.256 4.121 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000490405901 1038629767 /nfs/dbraw/zinc/62/97/67/1038629767.db2.gz XNHWGPOAUTVZIL-LBPRGKRZSA-N 1 1 344.256 4.121 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)nn1 ZINC000424292003 1038768645 /nfs/dbraw/zinc/76/86/45/1038768645.db2.gz FUJZNEJPTCUIOD-MRXNPFEDSA-N 1 1 339.270 4.258 20 30 EIEDMO Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(Cl)cc1C#N ZINC000461944874 1038829792 /nfs/dbraw/zinc/82/97/92/1038829792.db2.gz CEONEJIXDRXUKT-ZBFHGGJFSA-N 1 1 346.906 4.006 20 30 EIEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)on1 ZINC000174547254 1038995273 /nfs/dbraw/zinc/99/52/73/1038995273.db2.gz XYKOJNOZAOXURG-AWEZNQCLSA-N 1 1 327.428 4.159 20 30 EIEDMO COc1c(C)cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000608991065 1038996583 /nfs/dbraw/zinc/99/65/83/1038996583.db2.gz IEEFGHSLZGKOQR-UHFFFAOYSA-N 1 1 337.467 4.237 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000424687694 1039014497 /nfs/dbraw/zinc/01/44/97/1039014497.db2.gz MZHQJSKHBDFTOD-UHFFFAOYSA-N 1 1 340.467 4.130 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000424687694 1039014517 /nfs/dbraw/zinc/01/45/17/1039014517.db2.gz MZHQJSKHBDFTOD-UHFFFAOYSA-N 1 1 340.467 4.130 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000552064482 1039085800 /nfs/dbraw/zinc/08/58/00/1039085800.db2.gz STSZHBAAXIVVCI-UHFFFAOYSA-N 1 1 334.261 4.237 20 30 EIEDMO C=C(C)C(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000424799752 1039093674 /nfs/dbraw/zinc/09/36/74/1039093674.db2.gz VQNFHNLSAUJWNR-UHFFFAOYSA-N 1 1 339.277 4.052 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2C[C@@H](C(=O)OC)C2(C)C)cc1 ZINC001168340221 1039247317 /nfs/dbraw/zinc/24/73/17/1039247317.db2.gz GDKOTSMOYBXZBY-FHWLQOOXSA-N 1 1 342.483 4.009 20 30 EIEDMO COCC[N@@H+](Cc1csc2ccccc12)Cc1ccc(C#N)cc1 ZINC000513820093 1039295952 /nfs/dbraw/zinc/29/59/52/1039295952.db2.gz JGSQXYGFGWZPFQ-UHFFFAOYSA-N 1 1 336.460 4.422 20 30 EIEDMO C=CCC[C@@H](NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccco1 ZINC000552245199 1039312993 /nfs/dbraw/zinc/31/29/93/1039312993.db2.gz UVVPOVHDDAYXFM-LJQANCHMSA-N 1 1 346.515 4.300 20 30 EIEDMO N#CCC[N@H+](CC/C=C\c1ccc(Br)cc1)CC1CC1 ZINC000478023800 1039346013 /nfs/dbraw/zinc/34/60/13/1039346013.db2.gz JONMVZPEGBHXAP-RJRFIUFISA-N 1 1 333.273 4.478 20 30 EIEDMO C=CCCC1(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000476578196 1039386488 /nfs/dbraw/zinc/38/64/88/1039386488.db2.gz ZYJZSULMUUZRGK-UHFFFAOYSA-N 1 1 332.532 4.093 20 30 EIEDMO CC(C)(C)c1csc(C2CC[NH+](Cc3cncc(C#N)c3)CC2)n1 ZINC000929444716 1039393031 /nfs/dbraw/zinc/39/30/31/1039393031.db2.gz LAXPERTUSHLIJE-UHFFFAOYSA-N 1 1 340.496 4.087 20 30 EIEDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(C)C#N ZINC000552316843 1039392902 /nfs/dbraw/zinc/39/29/02/1039392902.db2.gz OOYYJYUYPWXWFR-UHFFFAOYSA-N 1 1 329.425 4.305 20 30 EIEDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(C)C#N ZINC000552316843 1039392904 /nfs/dbraw/zinc/39/29/04/1039392904.db2.gz OOYYJYUYPWXWFR-UHFFFAOYSA-N 1 1 329.425 4.305 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1OCCCC#N ZINC000092781230 1039586622 /nfs/dbraw/zinc/58/66/22/1039586622.db2.gz HSSXACTZEWMEKQ-GOSISDBHSA-N 1 1 328.456 4.142 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000481581460 1039600821 /nfs/dbraw/zinc/60/08/21/1039600821.db2.gz WTZAFQDPDQUZLG-LJQANCHMSA-N 1 1 330.378 4.119 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000537649670 1039833109 /nfs/dbraw/zinc/83/31/09/1039833109.db2.gz URSJUVLJHSGGSJ-LJQANCHMSA-N 1 1 334.398 4.072 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000537649670 1039833112 /nfs/dbraw/zinc/83/31/12/1039833112.db2.gz URSJUVLJHSGGSJ-LJQANCHMSA-N 1 1 334.398 4.072 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924983393 1039838112 /nfs/dbraw/zinc/83/81/12/1039838112.db2.gz BJRCFNKAQOKJCM-MRXNPFEDSA-N 1 1 325.456 4.033 20 30 EIEDMO N#CCCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000541570821 1039839854 /nfs/dbraw/zinc/83/98/54/1039839854.db2.gz ZGJUVKPHJZEVHV-KRWDZBQOSA-N 1 1 329.241 4.432 20 30 EIEDMO CCC[N@@H+](CCCOc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000510010544 1039849946 /nfs/dbraw/zinc/84/99/46/1039849946.db2.gz HJMXJKPYRWOUGV-UHFFFAOYSA-N 1 1 338.451 4.248 20 30 EIEDMO COCC[N@@H+](Cc1cc2c(cc(C)cc2C)[nH]1)Cc1ccc(C#N)cc1 ZINC000481928710 1039901041 /nfs/dbraw/zinc/90/10/41/1039901041.db2.gz AKIRGQCWRGBXCQ-UHFFFAOYSA-N 1 1 347.462 4.305 20 30 EIEDMO CCCOc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)ccc1OC ZINC000434990439 1039988661 /nfs/dbraw/zinc/98/86/61/1039988661.db2.gz HMGWKUWVYSIVOZ-UHFFFAOYSA-N 1 1 342.414 4.127 20 30 EIEDMO CCCOc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)ccc1OC ZINC000434990439 1039988674 /nfs/dbraw/zinc/98/86/74/1039988674.db2.gz HMGWKUWVYSIVOZ-UHFFFAOYSA-N 1 1 342.414 4.127 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 ZINC000470906158 1040270387 /nfs/dbraw/zinc/27/03/87/1040270387.db2.gz LKPCRZWXYQBRHL-UHFFFAOYSA-N 1 1 327.399 4.271 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 ZINC000470906158 1040270398 /nfs/dbraw/zinc/27/03/98/1040270398.db2.gz LKPCRZWXYQBRHL-UHFFFAOYSA-N 1 1 327.399 4.271 20 30 EIEDMO C=C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439880 1040272105 /nfs/dbraw/zinc/27/21/05/1040272105.db2.gz IXCGNLWLTCWDNB-RBBKRZOGSA-N 1 1 348.490 4.079 20 30 EIEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000346744545 1040275093 /nfs/dbraw/zinc/27/50/93/1040275093.db2.gz AFYNZOVNQLGTSD-UHFFFAOYSA-N 1 1 342.402 4.289 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029828389 1040279184 /nfs/dbraw/zinc/27/91/84/1040279184.db2.gz DVGCUMMEQCWGJZ-INIZCTEOSA-N 1 1 335.382 4.218 20 30 EIEDMO Cn1c2ccc(Nc3c(C#N)nnc4ccccc43)cc2[nH+]c1C1CC1 ZINC000535509693 1040314554 /nfs/dbraw/zinc/31/45/54/1040314554.db2.gz AOBFIPXBPMEKRU-UHFFFAOYSA-N 1 1 340.390 4.009 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc(OC)c1O ZINC000482512688 1040316976 /nfs/dbraw/zinc/31/69/76/1040316976.db2.gz WCAMXAJQZQKVNH-WFASDCNBSA-N 1 1 343.389 4.292 20 30 EIEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000535550015 1040356218 /nfs/dbraw/zinc/35/62/18/1040356218.db2.gz IWRHYTAUHDRXEB-UHFFFAOYSA-N 1 1 334.463 4.097 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425375039 1040373093 /nfs/dbraw/zinc/37/30/93/1040373093.db2.gz RTKNBGVFKCSDML-FQEVSTJZSA-N 1 1 327.468 4.033 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636826 1040410185 /nfs/dbraw/zinc/41/01/85/1040410185.db2.gz NDJDFYPRVQKFCE-GOSISDBHSA-N 1 1 336.907 4.430 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000539467195 1040461801 /nfs/dbraw/zinc/46/18/01/1040461801.db2.gz VOIPUUVBWNGNNU-IPMKNSEASA-N 1 1 335.536 4.027 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000477434912 1040505895 /nfs/dbraw/zinc/50/58/95/1040505895.db2.gz FPFJGASFFRJHQW-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386257571 1040522560 /nfs/dbraw/zinc/52/25/60/1040522560.db2.gz FATQSCYVTVQLSN-YOEHRIQHSA-N 1 1 341.405 4.159 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)n2c1 ZINC000126474914 1040559806 /nfs/dbraw/zinc/55/98/06/1040559806.db2.gz HLBRWEDGEDGQAF-UHFFFAOYSA-N 1 1 348.837 4.149 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)n2c1 ZINC000126474914 1040559837 /nfs/dbraw/zinc/55/98/37/1040559837.db2.gz HLBRWEDGEDGQAF-UHFFFAOYSA-N 1 1 348.837 4.149 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000553828891 1040564680 /nfs/dbraw/zinc/56/46/80/1040564680.db2.gz OLFCZCTYNAVVOW-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255912 1040638254 /nfs/dbraw/zinc/63/82/54/1040638254.db2.gz GKOXGXKDCULORC-XJKSGUPXSA-N 1 1 348.372 4.172 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000483165321 1040752135 /nfs/dbraw/zinc/75/21/35/1040752135.db2.gz BXASVJCAYYTLIU-QGZVFWFLSA-N 1 1 336.483 4.381 20 30 EIEDMO Cn1cc(C[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)cc1C#N ZINC000483307340 1040812101 /nfs/dbraw/zinc/81/21/01/1040812101.db2.gz HDGIVWBKUFNENP-JJEJIETFSA-N 1 1 325.481 4.416 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Br)cc1F ZINC000902988022 1040876767 /nfs/dbraw/zinc/87/67/67/1040876767.db2.gz NBMSFKHYOMPKFM-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO N#Cc1cc(F)ccc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000462782106 1040919344 /nfs/dbraw/zinc/91/93/44/1040919344.db2.gz YFZOOCGJLKIPSK-UHFFFAOYSA-N 1 1 345.368 4.052 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000483703948 1040967384 /nfs/dbraw/zinc/96/73/84/1040967384.db2.gz YOSMZYSEUHWRGB-QUCCMNQESA-N 1 1 342.389 4.189 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1F ZINC000483956784 1041073110 /nfs/dbraw/zinc/07/31/10/1041073110.db2.gz NTDDLEKWUSJIJD-MRXNPFEDSA-N 1 1 326.440 4.312 20 30 EIEDMO C[N@H+](CC#Cc1ccccc1)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000483952696 1041077760 /nfs/dbraw/zinc/07/77/60/1041077760.db2.gz YPMKDOKLVKOAKB-UHFFFAOYSA-N 1 1 347.437 4.132 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000538124180 1041082675 /nfs/dbraw/zinc/08/26/75/1041082675.db2.gz JHNIZZHWZRCLRA-QGZVFWFLSA-N 1 1 343.430 4.383 20 30 EIEDMO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530386 1041169827 /nfs/dbraw/zinc/16/98/27/1041169827.db2.gz FDDPHERIPSRUCQ-CQSZACIVSA-N 1 1 336.414 4.260 20 30 EIEDMO CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530386 1041169840 /nfs/dbraw/zinc/16/98/40/1041169840.db2.gz FDDPHERIPSRUCQ-CQSZACIVSA-N 1 1 336.414 4.260 20 30 EIEDMO Cc1cc(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)n1C1CC1 ZINC000425533101 1041184768 /nfs/dbraw/zinc/18/47/68/1041184768.db2.gz KHAKJUYKWJHERE-OAHLLOKOSA-N 1 1 335.451 4.187 20 30 EIEDMO Cc1cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)n1C1CC1 ZINC000425533101 1041184787 /nfs/dbraw/zinc/18/47/87/1041184787.db2.gz KHAKJUYKWJHERE-OAHLLOKOSA-N 1 1 335.451 4.187 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000480521607 1041353348 /nfs/dbraw/zinc/35/33/48/1041353348.db2.gz FVHKXDODEPPJEY-UHFFFAOYSA-N 1 1 333.907 4.156 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1F ZINC000540340851 1041401042 /nfs/dbraw/zinc/40/10/42/1041401042.db2.gz QUJWCBHCXGRKOV-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1F ZINC000540340851 1041401047 /nfs/dbraw/zinc/40/10/47/1041401047.db2.gz QUJWCBHCXGRKOV-OAHLLOKOSA-N 1 1 330.790 4.004 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000538751264 1041523574 /nfs/dbraw/zinc/52/35/74/1041523574.db2.gz YOGOAHCLVYZCDP-NRFANRHFSA-N 1 1 337.463 4.290 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(SC(C)(C)C)cn2)no1 ZINC000904643977 1041561301 /nfs/dbraw/zinc/56/13/01/1041561301.db2.gz NYCMBIUYRJHGKX-CYBMUJFWSA-N 1 1 332.473 4.378 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCc4ccc(C#N)cc4)C3)nc2c1 ZINC000595403686 1041599084 /nfs/dbraw/zinc/59/90/84/1041599084.db2.gz IBJJRHJLAATHRA-LJQANCHMSA-N 1 1 344.462 4.165 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000595403686 1041599086 /nfs/dbraw/zinc/59/90/86/1041599086.db2.gz IBJJRHJLAATHRA-LJQANCHMSA-N 1 1 344.462 4.165 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000595403686 1041599093 /nfs/dbraw/zinc/59/90/93/1041599093.db2.gz IBJJRHJLAATHRA-LJQANCHMSA-N 1 1 344.462 4.165 20 30 EIEDMO C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708109 1041608199 /nfs/dbraw/zinc/60/81/99/1041608199.db2.gz SYENMJCCLNFJRQ-IAGOWNOFSA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708109 1041608208 /nfs/dbraw/zinc/60/82/08/1041608208.db2.gz SYENMJCCLNFJRQ-IAGOWNOFSA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C2CC2)cc1 ZINC000517020202 1041839786 /nfs/dbraw/zinc/83/97/86/1041839786.db2.gz AXHLFRVZRXNGRZ-CQSZACIVSA-N 1 1 344.418 4.336 20 30 EIEDMO Cc1ccccc1OCC[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000506129451 1041909265 /nfs/dbraw/zinc/90/92/65/1041909265.db2.gz XYRPEEYFRMAAEO-UHFFFAOYSA-N 1 1 338.451 4.188 20 30 EIEDMO C[N@@H+](CCOc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000506136032 1041920186 /nfs/dbraw/zinc/92/01/86/1041920186.db2.gz PWZNEZIUJTTWDQ-UHFFFAOYSA-N 1 1 335.234 4.376 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000438170648 1042070014 /nfs/dbraw/zinc/07/00/14/1042070014.db2.gz QPHDQIAMFFLQKR-HXUWFJFHSA-N 1 1 339.866 4.230 20 30 EIEDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000541953855 1042194240 /nfs/dbraw/zinc/19/42/40/1042194240.db2.gz UOGYIBPASKMDLY-CYBMUJFWSA-N 1 1 344.846 4.000 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517878924 1042245864 /nfs/dbraw/zinc/24/58/64/1042245864.db2.gz GQFYVDYYQPYYTG-HXUWFJFHSA-N 1 1 349.434 4.163 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+](CC)C(C)C)cc1OC ZINC000506355075 1042339390 /nfs/dbraw/zinc/33/93/90/1042339390.db2.gz HFPDHZGWIBKEMW-UHFFFAOYSA-N 1 1 342.277 4.253 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000509589839 1042395792 /nfs/dbraw/zinc/39/57/92/1042395792.db2.gz XZHWNWGNTZZLQE-LJQANCHMSA-N 1 1 337.467 4.028 20 30 EIEDMO CCCN(Cc1ccc(C#N)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509589839 1042395799 /nfs/dbraw/zinc/39/57/99/1042395799.db2.gz XZHWNWGNTZZLQE-LJQANCHMSA-N 1 1 337.467 4.028 20 30 EIEDMO CCCN(Cc1ccc(C#N)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509589839 1042395803 /nfs/dbraw/zinc/39/58/03/1042395803.db2.gz XZHWNWGNTZZLQE-LJQANCHMSA-N 1 1 337.467 4.028 20 30 EIEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000017305591 1042429802 /nfs/dbraw/zinc/42/98/02/1042429802.db2.gz ITNOMLSSFRKKIK-AWEZNQCLSA-N 1 1 337.448 4.240 20 30 EIEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000017305591 1042429810 /nfs/dbraw/zinc/42/98/10/1042429810.db2.gz ITNOMLSSFRKKIK-AWEZNQCLSA-N 1 1 337.448 4.240 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C#N)cc1Br ZINC000491354727 1042431083 /nfs/dbraw/zinc/43/10/83/1042431083.db2.gz CMAKWBODNCONKT-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)cc1Br ZINC000491354727 1042431087 /nfs/dbraw/zinc/43/10/87/1042431087.db2.gz CMAKWBODNCONKT-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506475184 1042477526 /nfs/dbraw/zinc/47/75/26/1042477526.db2.gz SWWDXUHKQRVEBA-AWEZNQCLSA-N 1 1 327.209 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(OC(F)F)c(F)c2)C2CC2)cc1 ZINC000506547053 1042586790 /nfs/dbraw/zinc/58/67/90/1042586790.db2.gz OLOISXCDXDXNAW-UHFFFAOYSA-N 1 1 346.352 4.463 20 30 EIEDMO COc1ccc2oc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc2c1 ZINC000506553110 1042593687 /nfs/dbraw/zinc/59/36/87/1042593687.db2.gz UHBMHXGBLOLRNM-UHFFFAOYSA-N 1 1 332.403 4.478 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157718 1042628241 /nfs/dbraw/zinc/62/82/41/1042628241.db2.gz RRTBPTPEIHDCLV-OAQYLSRUSA-N 1 1 342.446 4.259 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506631408 1042706310 /nfs/dbraw/zinc/70/63/10/1042706310.db2.gz IFGWLGCMQDEEAX-UHFFFAOYSA-N 1 1 345.446 4.417 20 30 EIEDMO C=CCC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000467389870 1042785579 /nfs/dbraw/zinc/78/55/79/1042785579.db2.gz MMOQCBZCYMWIOK-UHFFFAOYSA-N 1 1 327.472 4.322 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426508707 1042787413 /nfs/dbraw/zinc/78/74/13/1042787413.db2.gz PERKGMIUBFDGKH-HNNXBMFYSA-N 1 1 341.480 4.167 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426508707 1042787419 /nfs/dbraw/zinc/78/74/19/1042787419.db2.gz PERKGMIUBFDGKH-HNNXBMFYSA-N 1 1 341.480 4.167 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985579 1042839219 /nfs/dbraw/zinc/83/92/19/1042839219.db2.gz XFZPTLQBVRVUMU-QXAKKESOSA-N 1 1 332.875 4.117 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000493725276 1042953136 /nfs/dbraw/zinc/95/31/36/1042953136.db2.gz PYLWATPMRFTVSW-UHFFFAOYSA-N 1 1 340.511 4.103 20 30 EIEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000441657726 1042964707 /nfs/dbraw/zinc/96/47/07/1042964707.db2.gz SXWWYLSDWFACRB-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000441657726 1042964710 /nfs/dbraw/zinc/96/47/10/1042964710.db2.gz SXWWYLSDWFACRB-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000441657726 1042964716 /nfs/dbraw/zinc/96/47/16/1042964716.db2.gz SXWWYLSDWFACRB-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC000509148480 1043071486 /nfs/dbraw/zinc/07/14/86/1043071486.db2.gz ANPCJJQQXCJHDG-UHFFFAOYSA-N 1 1 331.419 4.017 20 30 EIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388369 1043089688 /nfs/dbraw/zinc/08/96/88/1043089688.db2.gz SDKGAADSTLATAE-IEBWSBKVSA-N 1 1 347.462 4.073 20 30 EIEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185639055 1043208381 /nfs/dbraw/zinc/20/83/81/1043208381.db2.gz XFXUTFOOJUQAGW-HNNXBMFYSA-N 1 1 325.225 4.419 20 30 EIEDMO CCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000077266006 1043272412 /nfs/dbraw/zinc/27/24/12/1043272412.db2.gz YLCZDHVUFKYJAS-UHFFFAOYSA-N 1 1 346.434 4.063 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000065165066 1043279477 /nfs/dbraw/zinc/27/94/77/1043279477.db2.gz AMEHGQVUVNPOGU-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557718 1043318360 /nfs/dbraw/zinc/31/83/60/1043318360.db2.gz GLIJHRCIZRKLGB-SFTDATJTSA-N 1 1 341.401 4.168 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C ZINC000674050305 1043352318 /nfs/dbraw/zinc/35/23/18/1043352318.db2.gz LXUFEWOFHQASIU-HXUWFJFHSA-N 1 1 338.451 4.016 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C ZINC000674050305 1043352339 /nfs/dbraw/zinc/35/23/39/1043352339.db2.gz LXUFEWOFHQASIU-HXUWFJFHSA-N 1 1 338.451 4.016 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000625703267 1043360811 /nfs/dbraw/zinc/36/08/11/1043360811.db2.gz JPPXEJQDDGAJPH-LBPRGKRZSA-N 1 1 341.436 4.055 20 30 EIEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000625703267 1043360825 /nfs/dbraw/zinc/36/08/25/1043360825.db2.gz JPPXEJQDDGAJPH-LBPRGKRZSA-N 1 1 341.436 4.055 20 30 EIEDMO C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000229742844 1043367238 /nfs/dbraw/zinc/36/72/38/1043367238.db2.gz CWWWJFWKRJUEON-CHWSQXEVSA-N 1 1 325.378 4.109 20 30 EIEDMO CCCCCCCC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000730084658 1043441232 /nfs/dbraw/zinc/44/12/32/1043441232.db2.gz IFHXGCAWEJACJS-KRWDZBQOSA-N 1 1 332.488 4.379 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)c1 ZINC000609195439 1043447039 /nfs/dbraw/zinc/44/70/39/1043447039.db2.gz TVYIXPSPHBIMDZ-IBGZPJMESA-N 1 1 341.499 4.061 20 30 EIEDMO CCC(CC)[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000609203665 1043481326 /nfs/dbraw/zinc/48/13/26/1043481326.db2.gz OUABSGSFTPUQHA-UHFFFAOYSA-N 1 1 341.499 4.203 20 30 EIEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000494513990 1043531314 /nfs/dbraw/zinc/53/13/14/1043531314.db2.gz MYPHMZIEKLTNQM-XIKOKIGWSA-N 1 1 332.806 4.389 20 30 EIEDMO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)C#N ZINC000191467775 1043818601 /nfs/dbraw/zinc/81/86/01/1043818601.db2.gz URNQXTYFRXPYJR-LJQANCHMSA-N 1 1 331.463 4.368 20 30 EIEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)C#N ZINC000191467775 1043818605 /nfs/dbraw/zinc/81/86/05/1043818605.db2.gz URNQXTYFRXPYJR-LJQANCHMSA-N 1 1 331.463 4.368 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000732231154 1043891334 /nfs/dbraw/zinc/89/13/34/1043891334.db2.gz INQKDBDCYSWBJG-UHFFFAOYSA-N 1 1 346.430 4.133 20 30 EIEDMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000521822314 1044013007 /nfs/dbraw/zinc/01/30/07/1044013007.db2.gz JHLPASIIOZSFHZ-UHFFFAOYSA-N 1 1 349.478 4.272 20 30 EIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(OCC#N)cc1 ZINC000733312735 1044181006 /nfs/dbraw/zinc/18/10/06/1044181006.db2.gz JCJQZCZFIFNFSB-UHFFFAOYSA-N 1 1 326.415 4.183 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895229 1044207115 /nfs/dbraw/zinc/20/71/15/1044207115.db2.gz MXHSOBDEAZKEAB-PMUMKWKESA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895229 1044207140 /nfs/dbraw/zinc/20/71/40/1044207140.db2.gz MXHSOBDEAZKEAB-PMUMKWKESA-N 1 1 345.537 4.415 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)o1 ZINC000174319803 1044258733 /nfs/dbraw/zinc/25/87/33/1044258733.db2.gz LEAZQEAVGOACTG-LJQANCHMSA-N 1 1 336.366 4.200 20 30 EIEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000174451382 1044274699 /nfs/dbraw/zinc/27/46/99/1044274699.db2.gz MIZDSFYCKBAOQU-UHFFFAOYSA-N 1 1 345.446 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246302493 1044292819 /nfs/dbraw/zinc/29/28/19/1044292819.db2.gz FNUVRVKSAWHIGJ-IFXJQAMLSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246302493 1044292828 /nfs/dbraw/zinc/29/28/28/1044292828.db2.gz FNUVRVKSAWHIGJ-IFXJQAMLSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000246757566 1044359742 /nfs/dbraw/zinc/35/97/42/1044359742.db2.gz NNERYMQZMGLDMQ-MBOZVWFJSA-N 1 1 347.462 4.011 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCCc2cnn(C)c2)C(C)(C)C)cc1 ZINC000675550064 1044380098 /nfs/dbraw/zinc/38/00/98/1044380098.db2.gz IEEYZQURKAEPHO-UHFFFAOYSA-N 1 1 341.499 4.218 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000766192535 1044401951 /nfs/dbraw/zinc/40/19/51/1044401951.db2.gz TVXRIQLSMRTCBT-HUUCEWRRSA-N 1 1 327.399 4.258 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000466414528 1044413163 /nfs/dbraw/zinc/41/31/63/1044413163.db2.gz KGSVWWLRUGYYKH-SIKLNZKXSA-N 1 1 340.511 4.103 20 30 EIEDMO C[C@@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@@H](C)N1Cc1ccccc1 ZINC001168021541 1044438914 /nfs/dbraw/zinc/43/89/14/1044438914.db2.gz PWLILTROYJQQIJ-HZPDHXFCSA-N 1 1 339.508 4.151 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@H]2COc3ccc(F)cc32)ccc1OC ZINC000466450994 1044510010 /nfs/dbraw/zinc/51/00/10/1044510010.db2.gz CFWREWXXSGDCHO-KRWDZBQOSA-N 1 1 343.398 4.013 20 30 EIEDMO C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000734296648 1044525378 /nfs/dbraw/zinc/52/53/78/1044525378.db2.gz SUVFGBOQVBDMCH-OAHLLOKOSA-N 1 1 338.411 4.047 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1Cl ZINC000466463014 1044543012 /nfs/dbraw/zinc/54/30/12/1044543012.db2.gz WZSMOZDBYSOETP-INIZCTEOSA-N 1 1 333.790 4.267 20 30 EIEDMO C=CCCC[N@@H+](C)Cc1ncc(Br)cc1Br ZINC000543446613 1044614256 /nfs/dbraw/zinc/61/42/56/1044614256.db2.gz IUBSGTPQVWUADV-UHFFFAOYSA-N 1 1 348.082 4.005 20 30 EIEDMO C=CCCC[N@H+](C)Cc1ncc(Br)cc1Br ZINC000543446613 1044614267 /nfs/dbraw/zinc/61/42/67/1044614267.db2.gz IUBSGTPQVWUADV-UHFFFAOYSA-N 1 1 348.082 4.005 20 30 EIEDMO C=CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495055117 1044625085 /nfs/dbraw/zinc/62/50/85/1044625085.db2.gz ZBZHVRMXSLPLAQ-FPOVZHCZSA-N 1 1 342.527 4.365 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc(F)cc2)c1C ZINC000914693441 1044662368 /nfs/dbraw/zinc/66/23/68/1044662368.db2.gz WMQDPHDLOHRLKW-FQEVSTJZSA-N 1 1 342.462 4.174 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000118393880 1044668650 /nfs/dbraw/zinc/66/86/50/1044668650.db2.gz FNUVRVKSAWHIGJ-KUHUBIRLSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000118393880 1044668653 /nfs/dbraw/zinc/66/86/53/1044668653.db2.gz FNUVRVKSAWHIGJ-KUHUBIRLSA-N 1 1 326.827 4.346 20 30 EIEDMO CC[C@@H](C/N=C\c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701393 1044677498 /nfs/dbraw/zinc/67/74/98/1044677498.db2.gz HKEDIRXLMFAQAK-ZIHVZMLCSA-N 1 1 342.870 4.301 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091887685 1044714044 /nfs/dbraw/zinc/71/40/44/1044714044.db2.gz VIJQCBSNUGVRAJ-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000555092385 1044725954 /nfs/dbraw/zinc/72/59/54/1044725954.db2.gz PTLLIKNGPBZKAX-QGZVFWFLSA-N 1 1 333.357 4.253 20 30 EIEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000555092385 1044725964 /nfs/dbraw/zinc/72/59/64/1044725964.db2.gz PTLLIKNGPBZKAX-QGZVFWFLSA-N 1 1 333.357 4.253 20 30 EIEDMO COc1cc(F)ccc1NN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000761884697 1044814982 /nfs/dbraw/zinc/81/49/82/1044814982.db2.gz LPLJPSCJNHNIMS-UHFFFAOYSA-N 1 1 338.386 4.165 20 30 EIEDMO CC(N=Nc1ccccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735608473 1044841913 /nfs/dbraw/zinc/84/19/13/1044841913.db2.gz BKFYQVHHLYSHKH-IBGZPJMESA-N 1 1 343.858 4.029 20 30 EIEDMO CC(N=Nc1ccccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735608473 1044841915 /nfs/dbraw/zinc/84/19/15/1044841915.db2.gz BKFYQVHHLYSHKH-IBGZPJMESA-N 1 1 343.858 4.029 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(Br)c1 ZINC000093938721 1044860849 /nfs/dbraw/zinc/86/08/49/1044860849.db2.gz WGPDGAMQKKFZAG-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735872357 1044871845 /nfs/dbraw/zinc/87/18/45/1044871845.db2.gz BWWKJIGHXZIRMV-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625775062 1044873225 /nfs/dbraw/zinc/87/32/25/1044873225.db2.gz VMVHMYRLWFDLAC-CVEARBPZSA-N 1 1 325.399 4.027 20 30 EIEDMO C=CCCC[N@@H+](C)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000736589404 1044957465 /nfs/dbraw/zinc/95/74/65/1044957465.db2.gz FLTPATHFYJBJRL-UHFFFAOYSA-N 1 1 328.485 4.136 20 30 EIEDMO C=CCCC[N@H+](C)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000736589404 1044957476 /nfs/dbraw/zinc/95/74/76/1044957476.db2.gz FLTPATHFYJBJRL-UHFFFAOYSA-N 1 1 328.485 4.136 20 30 EIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000391625817 1044971926 /nfs/dbraw/zinc/97/19/26/1044971926.db2.gz IFELXAWKBJQXOE-KRWDZBQOSA-N 1 1 327.472 4.035 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000303490544 1045012409 /nfs/dbraw/zinc/01/24/09/1045012409.db2.gz SBGNYZMAYCNCCQ-UHFFFAOYSA-N 1 1 335.476 4.436 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000303490544 1045012417 /nfs/dbraw/zinc/01/24/17/1045012417.db2.gz SBGNYZMAYCNCCQ-UHFFFAOYSA-N 1 1 335.476 4.436 20 30 EIEDMO CO[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000282539652 1045017483 /nfs/dbraw/zinc/01/74/83/1045017483.db2.gz ZPMVWHWXBOIBAX-UGKGYDQZSA-N 1 1 348.490 4.386 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272268128 1045022086 /nfs/dbraw/zinc/02/20/86/1045022086.db2.gz XXGGIPPHBXCPSE-NJNPRVFISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272268128 1045022100 /nfs/dbraw/zinc/02/21/00/1045022100.db2.gz XXGGIPPHBXCPSE-NJNPRVFISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272268128 1045022107 /nfs/dbraw/zinc/02/21/07/1045022107.db2.gz XXGGIPPHBXCPSE-NJNPRVFISA-N 1 1 333.479 4.119 20 30 EIEDMO CC(C)C[N@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000739914855 1045174853 /nfs/dbraw/zinc/17/48/53/1045174853.db2.gz PHZITPUJEHMHJS-UHFFFAOYSA-N 1 1 328.378 4.346 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=S ZINC000915210204 1045189470 /nfs/dbraw/zinc/18/94/70/1045189470.db2.gz XUNOGGPKFKVRTM-USXIJHARSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=S ZINC000915210204 1045189478 /nfs/dbraw/zinc/18/94/78/1045189478.db2.gz XUNOGGPKFKVRTM-USXIJHARSA-N 1 1 346.544 4.336 20 30 EIEDMO N#CCOc1ccc(C[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000762442009 1045241284 /nfs/dbraw/zinc/24/12/84/1045241284.db2.gz DXUWGOIGKDDZFM-UHFFFAOYSA-N 1 1 327.236 4.247 20 30 EIEDMO COc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1C#N ZINC000762455860 1045245100 /nfs/dbraw/zinc/24/51/00/1045245100.db2.gz WXYSPRYHVRLZDT-UHFFFAOYSA-N 1 1 339.197 4.303 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H](C)C#N ZINC000611261118 1045267817 /nfs/dbraw/zinc/26/78/17/1045267817.db2.gz TXFAMLGVYAXNOT-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H](C)C#N ZINC000611261118 1045267826 /nfs/dbraw/zinc/26/78/26/1045267826.db2.gz TXFAMLGVYAXNOT-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO CC(C)C[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611257860 1045268222 /nfs/dbraw/zinc/26/82/22/1045268222.db2.gz BWROBVDDRRQTOR-UHFFFAOYSA-N 1 1 336.414 4.003 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350341 1045288982 /nfs/dbraw/zinc/28/89/82/1045288982.db2.gz JDJOPEYCTZFJSG-QZTJIDSGSA-N 1 1 326.484 4.126 20 30 EIEDMO COc1cccc2c1C/C(=C\c1[nH+]c(C(C)C)n3ccccc13)C2=O ZINC000762600251 1045310762 /nfs/dbraw/zinc/31/07/62/1045310762.db2.gz LISCHWLUQNQJKN-WYMLVPIESA-N 1 1 332.403 4.289 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCc3sccc3C2)c(Br)c1 ZINC000611500539 1045319772 /nfs/dbraw/zinc/31/97/72/1045319772.db2.gz LAJYTFSJAKGKDV-UHFFFAOYSA-N 1 1 347.281 4.331 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCc3sccc3C2)c(Br)c1 ZINC000611500539 1045319783 /nfs/dbraw/zinc/31/97/83/1045319783.db2.gz LAJYTFSJAKGKDV-UHFFFAOYSA-N 1 1 347.281 4.331 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495982897 1045453062 /nfs/dbraw/zinc/45/30/62/1045453062.db2.gz PEHBOSHNALAKCV-ZWKOTPCHSA-N 1 1 349.519 4.182 20 30 EIEDMO COc1ncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1Cl ZINC000533558509 1045573627 /nfs/dbraw/zinc/57/36/27/1045573627.db2.gz WRRHYRUVWNGLLC-UHFFFAOYSA-N 1 1 343.858 4.273 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2ccsc2Cl)cc(OC)c1OC ZINC000790959590 1045636612 /nfs/dbraw/zinc/63/66/12/1045636612.db2.gz IRVPDFCGUGRVHN-UHFFFAOYSA-N 1 1 337.872 4.437 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000790965595 1045641107 /nfs/dbraw/zinc/64/11/07/1045641107.db2.gz SFMLTWBAQOOHNV-CYBMUJFWSA-N 1 1 349.228 4.013 20 30 EIEDMO C#CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000768130592 1045721716 /nfs/dbraw/zinc/72/17/16/1045721716.db2.gz RYPCUBLCIXHCFN-GOSISDBHSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000768130592 1045721733 /nfs/dbraw/zinc/72/17/33/1045721733.db2.gz RYPCUBLCIXHCFN-GOSISDBHSA-N 1 1 330.353 4.223 20 30 EIEDMO C[N@@H+](CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117405 1045738396 /nfs/dbraw/zinc/73/83/96/1045738396.db2.gz FSUNQBPULAQNOQ-ZDUSSCGKSA-N 1 1 325.275 4.222 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)c(Br)c1 ZINC000768253010 1045764532 /nfs/dbraw/zinc/76/45/32/1045764532.db2.gz UMOIDMFOOYYGBC-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)c(Br)c1 ZINC000768253010 1045764545 /nfs/dbraw/zinc/76/45/45/1045764545.db2.gz UMOIDMFOOYYGBC-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 ZINC000282132261 1045765925 /nfs/dbraw/zinc/76/59/25/1045765925.db2.gz YWVSBJSZEQRGLA-HXUWFJFHSA-N 1 1 326.484 4.486 20 30 EIEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791585742 1045779697 /nfs/dbraw/zinc/77/96/97/1045779697.db2.gz UHSCUXMQWMKJIJ-GWCFXTLKSA-N 1 1 332.753 4.015 20 30 EIEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791585742 1045779716 /nfs/dbraw/zinc/77/97/16/1045779716.db2.gz UHSCUXMQWMKJIJ-GWCFXTLKSA-N 1 1 332.753 4.015 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791647164 1045793619 /nfs/dbraw/zinc/79/36/19/1045793619.db2.gz MYHKGNNUYGLKIO-LJQANCHMSA-N 1 1 342.483 4.304 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791647164 1045793643 /nfs/dbraw/zinc/79/36/43/1045793643.db2.gz MYHKGNNUYGLKIO-LJQANCHMSA-N 1 1 342.483 4.304 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1C ZINC000536642887 1045805789 /nfs/dbraw/zinc/80/57/89/1045805789.db2.gz ZGSQCMPXWFHAMR-UHFFFAOYSA-N 1 1 338.451 4.296 20 30 EIEDMO C=CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)C ZINC000768546948 1045823101 /nfs/dbraw/zinc/82/31/01/1045823101.db2.gz FSHPCZFZFCCKFH-UHFFFAOYSA-N 1 1 332.451 4.331 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248414267 1045871971 /nfs/dbraw/zinc/87/19/71/1045871971.db2.gz MLUZKYFVYZSQMP-ZHALLVOQSA-N 1 1 335.451 4.225 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248414266 1045873245 /nfs/dbraw/zinc/87/32/45/1045873245.db2.gz MLUZKYFVYZSQMP-LMMKCTJWSA-N 1 1 335.451 4.225 20 30 EIEDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769234979 1045897137 /nfs/dbraw/zinc/89/71/37/1045897137.db2.gz ZYUIYXIIHRMBOQ-HXUWFJFHSA-N 1 1 333.479 4.334 20 30 EIEDMO C=C(C)C[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204674 1045925674 /nfs/dbraw/zinc/92/56/74/1045925674.db2.gz FBWBVPDVSDIJNG-QUCCMNQESA-N 1 1 333.520 4.437 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000769339442 1045928774 /nfs/dbraw/zinc/92/87/74/1045928774.db2.gz YYQDQSYGWINFMU-NQIIRXRSSA-N 1 1 334.463 4.432 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccccc3Cl)n2c1 ZINC000153400678 1045930707 /nfs/dbraw/zinc/93/07/07/1045930707.db2.gz GIXVSZRUEWUQJR-SFHVURJKSA-N 1 1 336.826 4.196 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccccc3Cl)n2c1 ZINC000153400678 1045930719 /nfs/dbraw/zinc/93/07/19/1045930719.db2.gz GIXVSZRUEWUQJR-SFHVURJKSA-N 1 1 336.826 4.196 20 30 EIEDMO N#CC1(c2ccccc2)CCC([NH2+]CC(F)(F)c2ccccn2)CC1 ZINC001170364800 1046015608 /nfs/dbraw/zinc/01/56/08/1046015608.db2.gz FXBBAGYENINSQZ-UHFFFAOYSA-N 1 1 341.405 4.167 20 30 EIEDMO CC[NH+](CC)C1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170387098 1046024952 /nfs/dbraw/zinc/02/49/52/1046024952.db2.gz QEMHLSCQDDWVAR-UHFFFAOYSA-N 1 1 339.527 4.197 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001170388740 1046026060 /nfs/dbraw/zinc/02/60/60/1046026060.db2.gz BWGNFHVXVHCREG-KOENEWCDSA-N 1 1 345.490 4.493 20 30 EIEDMO CCN(CC)CC[N@@H+](CC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387561 1046026673 /nfs/dbraw/zinc/02/66/73/1046026673.db2.gz XESYPLSWQZTKHU-UHFFFAOYSA-N 1 1 327.516 4.054 20 30 EIEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]1C2(Cl)Cl ZINC000792909943 1046102428 /nfs/dbraw/zinc/10/24/28/1046102428.db2.gz ULCQTMUGRBFDMC-KGLIPLIRSA-N 1 1 329.658 4.227 20 30 EIEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]1C2(Cl)Cl ZINC000792909943 1046102440 /nfs/dbraw/zinc/10/24/40/1046102440.db2.gz ULCQTMUGRBFDMC-KGLIPLIRSA-N 1 1 329.658 4.227 20 30 EIEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952137 1046114868 /nfs/dbraw/zinc/11/48/68/1046114868.db2.gz YJLJXJFYNMODFS-DLBZAZTESA-N 1 1 349.519 4.086 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423865 1046117921 /nfs/dbraw/zinc/11/79/21/1046117921.db2.gz JQJQXJSPDAUUAC-DNVCBOLYSA-N 1 1 335.407 4.407 20 30 EIEDMO O=[N+]([O-])c1cc(C=[NH+]OCc2ccccc2)ccc1N1CCCCC1 ZINC000916622480 1046118051 /nfs/dbraw/zinc/11/80/51/1046118051.db2.gz UIAFYBPYHRZOMM-UHFFFAOYSA-N 1 1 339.395 4.136 20 30 EIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399040 1046126957 /nfs/dbraw/zinc/12/69/57/1046126957.db2.gz ZTVDQWAEVGOGMB-UGSOOPFHSA-N 1 1 348.368 4.303 20 30 EIEDMO O=C(Nc1ccccc1)Nc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001170424386 1046129869 /nfs/dbraw/zinc/12/98/69/1046129869.db2.gz YYPQTTGYEFRBJL-UHFFFAOYSA-N 1 1 342.402 4.189 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409949 1046135365 /nfs/dbraw/zinc/13/53/65/1046135365.db2.gz IDXVCESLBPUQIA-FDFHNCONSA-N 1 1 334.463 4.168 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000793227281 1046175118 /nfs/dbraw/zinc/17/51/18/1046175118.db2.gz QSNDVBNCYOBAPH-UHFFFAOYSA-N 1 1 336.479 4.102 20 30 EIEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770302832 1046175656 /nfs/dbraw/zinc/17/56/56/1046175656.db2.gz CSLGGRWKZWYICW-XLIONFOSSA-N 1 1 349.478 4.208 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 ZINC000770571184 1046224056 /nfs/dbraw/zinc/22/40/56/1046224056.db2.gz BXSXMFAISDNNCK-YCRREMRBSA-N 1 1 331.350 4.088 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000770735736 1046264742 /nfs/dbraw/zinc/26/47/42/1046264742.db2.gz ZBTMGUPYSFYAOM-UHFFFAOYSA-N 1 1 334.444 4.112 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000770751397 1046266207 /nfs/dbraw/zinc/26/62/07/1046266207.db2.gz VHGXIVADPAFNMD-UHFFFAOYSA-N 1 1 326.248 4.357 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000793575087 1046308447 /nfs/dbraw/zinc/30/84/47/1046308447.db2.gz SLVHUWAWDLISFH-FQEVSTJZSA-N 1 1 338.451 4.107 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000271968086 1046386334 /nfs/dbraw/zinc/38/63/34/1046386334.db2.gz MMIPBDNZSCGZNS-HNNXBMFYSA-N 1 1 326.465 4.194 20 30 EIEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(OCCCC)cc2)o1)C(C)C ZINC000917068791 1046642444 /nfs/dbraw/zinc/64/24/44/1046642444.db2.gz BWGSMTYYGJHSCI-UHFFFAOYSA-N 1 1 329.444 4.312 20 30 EIEDMO C=CC[N@H+](Cc1nnc(-c2ccc(OCCCC)cc2)o1)C(C)C ZINC000917068791 1046642452 /nfs/dbraw/zinc/64/24/52/1046642452.db2.gz BWGSMTYYGJHSCI-UHFFFAOYSA-N 1 1 329.444 4.312 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459457935 1046697682 /nfs/dbraw/zinc/69/76/82/1046697682.db2.gz DXGBENGQAFLUDT-ZAAXVRCTSA-N 1 1 333.435 4.282 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)cc1OC ZINC000536710105 1046722510 /nfs/dbraw/zinc/72/25/10/1046722510.db2.gz JSJSKQSMUGNKIA-IBGZPJMESA-N 1 1 340.467 4.326 20 30 EIEDMO C=CC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000536744763 1046742468 /nfs/dbraw/zinc/74/24/68/1046742468.db2.gz PKCMSXDNTYERAI-UHFFFAOYSA-N 1 1 344.256 4.057 20 30 EIEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000536745471 1046744591 /nfs/dbraw/zinc/74/45/91/1046744591.db2.gz WINBVHZGMIONAB-BZUAXINKSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137633016 1046793833 /nfs/dbraw/zinc/79/38/33/1046793833.db2.gz XJPQQYKFRVVXLS-CYBMUJFWSA-N 1 1 341.252 4.440 20 30 EIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137633016 1046793845 /nfs/dbraw/zinc/79/38/45/1046793845.db2.gz XJPQQYKFRVVXLS-CYBMUJFWSA-N 1 1 341.252 4.440 20 30 EIEDMO C=CCC[N@H+](C)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000786101599 1046809082 /nfs/dbraw/zinc/80/90/82/1046809082.db2.gz NPIPBEVNPDJNNM-UHFFFAOYSA-N 1 1 325.243 4.026 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000497489275 1046825645 /nfs/dbraw/zinc/82/56/45/1046825645.db2.gz NRBVLXLOAWYHTO-INIZCTEOSA-N 1 1 339.870 4.090 20 30 EIEDMO C=CCCC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786478834 1046840909 /nfs/dbraw/zinc/84/09/09/1046840909.db2.gz TXLUGGSTBRWHEJ-LBPRGKRZSA-N 1 1 335.354 4.107 20 30 EIEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000537037584 1046907690 /nfs/dbraw/zinc/90/76/90/1046907690.db2.gz OTNLKZHWKKDWTI-MRXNPFEDSA-N 1 1 334.891 4.233 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1Cl ZINC000537112645 1046966500 /nfs/dbraw/zinc/96/65/00/1046966500.db2.gz DOIXJIWMJQOLFC-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1c(-c2ccccc2)nc2sccn12 ZINC000746693074 1047028683 /nfs/dbraw/zinc/02/86/83/1047028683.db2.gz BJAZKVOBVVNSDE-UHFFFAOYSA-N 1 1 338.480 4.434 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1c(-c2ccccc2)nc2sccn12 ZINC000746693074 1047028700 /nfs/dbraw/zinc/02/87/00/1047028700.db2.gz BJAZKVOBVVNSDE-UHFFFAOYSA-N 1 1 338.480 4.434 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCCCCC#N ZINC000805947275 1047059771 /nfs/dbraw/zinc/05/97/71/1047059771.db2.gz LFGRGCOVZSYUJT-LJQANCHMSA-N 1 1 342.483 4.304 20 30 EIEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000537290062 1047069896 /nfs/dbraw/zinc/06/98/96/1047069896.db2.gz IFALWTFMKBWKSF-WMZOPIPTSA-N 1 1 342.483 4.388 20 30 EIEDMO C#CCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCCC1 ZINC000788219053 1047134380 /nfs/dbraw/zinc/13/43/80/1047134380.db2.gz ZSDJEBTUKXJKAS-VQTJNVASSA-N 1 1 344.543 4.073 20 30 EIEDMO CC(=[NH+]n1cc(Br)cn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788438167 1047184606 /nfs/dbraw/zinc/18/46/06/1047184606.db2.gz ZKOCICXGQJQIEO-VHSXEESVSA-N 1 1 344.665 4.388 20 30 EIEDMO COc1cc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)ccc1Cl ZINC000788472328 1047197393 /nfs/dbraw/zinc/19/73/93/1047197393.db2.gz SHNOZHXCSNFAEW-UHFFFAOYSA-N 1 1 342.830 4.144 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cc1Cl ZINC000788819446 1047319250 /nfs/dbraw/zinc/31/92/50/1047319250.db2.gz RWLRJBCJQDOZPN-INIZCTEOSA-N 1 1 333.218 4.226 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325046496 1047405262 /nfs/dbraw/zinc/40/52/62/1047405262.db2.gz RJAQJLPDCLOAPN-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO C=CCCC1(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000476204399 1047417240 /nfs/dbraw/zinc/41/72/40/1047417240.db2.gz OUZPIKFMBPPQIA-QGZVFWFLSA-N 1 1 342.483 4.092 20 30 EIEDMO CCCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000026465150 1047420032 /nfs/dbraw/zinc/42/00/32/1047420032.db2.gz JEZJLIUWAUSEBJ-UHFFFAOYSA-N 1 1 339.411 4.408 20 30 EIEDMO COc1cc2c(c(C[NH2+][C@@H](CCC#N)c3ccccc3)c1)O[C@H](C)C2 ZINC000130384651 1047704037 /nfs/dbraw/zinc/70/40/37/1047704037.db2.gz JHLYXPVQZOGFSK-QRWLVFNGSA-N 1 1 336.435 4.153 20 30 EIEDMO COc1cc2c(c(C[NH2+][C@H](CCC#N)c3ccccc3)c1)O[C@H](C)C2 ZINC000130385063 1047705387 /nfs/dbraw/zinc/70/53/87/1047705387.db2.gz JHLYXPVQZOGFSK-FOIQADDNSA-N 1 1 336.435 4.153 20 30 EIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130596459 1047747940 /nfs/dbraw/zinc/74/79/40/1047747940.db2.gz SWXSJYPAYNZMMS-QGZVFWFLSA-N 1 1 347.384 4.234 20 30 EIEDMO C=C(CC(C)C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001136845227 1047847210 /nfs/dbraw/zinc/84/72/10/1047847210.db2.gz HZJPFWSWHITDIQ-UHFFFAOYSA-N 1 1 340.467 4.130 20 30 EIEDMO C=C(CC(C)C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001136845227 1047847211 /nfs/dbraw/zinc/84/72/11/1047847211.db2.gz HZJPFWSWHITDIQ-UHFFFAOYSA-N 1 1 340.467 4.130 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)c(OC)c1 ZINC000814227113 1047897674 /nfs/dbraw/zinc/89/76/74/1047897674.db2.gz CUNVHOAFOLTGMX-HXUWFJFHSA-N 1 1 338.451 4.107 20 30 EIEDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001171078636 1048057536 /nfs/dbraw/zinc/05/75/36/1048057536.db2.gz NOCIPTIEKGQSPV-CYBMUJFWSA-N 1 1 345.512 4.090 20 30 EIEDMO C=CCC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868741 1048083916 /nfs/dbraw/zinc/08/39/16/1048083916.db2.gz BUKMYIMUGZZKQG-NHCUHLMSSA-N 1 1 338.495 4.441 20 30 EIEDMO CCCCCCCCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000919812331 1048093998 /nfs/dbraw/zinc/09/39/98/1048093998.db2.gz GMMOSNRRFAYSSA-UHFFFAOYSA-N 1 1 345.531 4.473 20 30 EIEDMO CCC(=[NH+]NCc1cnc2ccccc2c1)c1ccc(Cl)c(N)c1 ZINC000814877378 1048216423 /nfs/dbraw/zinc/21/64/23/1048216423.db2.gz WHASGDUAPIVWTF-UHFFFAOYSA-N 1 1 338.842 4.374 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370164 1048294449 /nfs/dbraw/zinc/29/44/49/1048294449.db2.gz GEGACZAEIPXDAS-YVEFUNNKSA-N 1 1 332.806 4.077 20 30 EIEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844421901 1048320888 /nfs/dbraw/zinc/32/08/88/1048320888.db2.gz YOZQLILBXVCWNM-LJQANCHMSA-N 1 1 334.419 4.087 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144068186 1048395275 /nfs/dbraw/zinc/39/52/75/1048395275.db2.gz RZXHTWSTBCEMTM-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC001144084796 1048413681 /nfs/dbraw/zinc/41/36/81/1048413681.db2.gz MXVYBGBFIILPKU-QGZVFWFLSA-N 1 1 347.340 4.189 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC001144084796 1048413689 /nfs/dbraw/zinc/41/36/89/1048413689.db2.gz MXVYBGBFIILPKU-QGZVFWFLSA-N 1 1 347.340 4.189 20 30 EIEDMO CCC[N@@H+](Cc1cccc(Br)c1)Cc1cncc(C#N)c1 ZINC001144083730 1048413850 /nfs/dbraw/zinc/41/38/50/1048413850.db2.gz QZMQWHPKGFTRGO-UHFFFAOYSA-N 1 1 344.256 4.128 20 30 EIEDMO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(C#N)cn1 ZINC001144163826 1048457548 /nfs/dbraw/zinc/45/75/48/1048457548.db2.gz XPCIGXKWVWQMKF-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(C#N)cn1 ZINC001144163826 1048457559 /nfs/dbraw/zinc/45/75/59/1048457559.db2.gz XPCIGXKWVWQMKF-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cc1O ZINC000809705246 1048488832 /nfs/dbraw/zinc/48/88/32/1048488832.db2.gz PRFYQWMNTOOOMB-UHFFFAOYSA-N 1 1 343.471 4.147 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809790083 1048534258 /nfs/dbraw/zinc/53/42/58/1048534258.db2.gz XBPRKYAMVDRKIL-UHFFFAOYSA-N 1 1 349.478 4.210 20 30 EIEDMO CCOc1ccc(O)c(/C=N/[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175084 1048573053 /nfs/dbraw/zinc/57/30/53/1048573053.db2.gz TYSXVMBWAFKGTA-INJKSQGZSA-N 1 1 338.451 4.045 20 30 EIEDMO C[NH+](C)[C@H](CNc1cccc(CC#N)n1)c1ccc(Cl)cc1Cl ZINC001170590881 1048581940 /nfs/dbraw/zinc/58/19/40/1048581940.db2.gz ZLGDCOFFVXXEBX-MRXNPFEDSA-N 1 1 349.265 4.169 20 30 EIEDMO N#CC1CC[NH+](Cc2ccc3ccccc3c2Br)CC1 ZINC001144307803 1048585912 /nfs/dbraw/zinc/58/59/12/1048585912.db2.gz CGFOQYDASOUOEB-UHFFFAOYSA-N 1 1 329.241 4.338 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593680 1048594849 /nfs/dbraw/zinc/59/48/49/1048594849.db2.gz NJHFHPLNJIYXIA-LIRRHRJNSA-N 1 1 326.827 4.426 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC001206119441 1048662604 /nfs/dbraw/zinc/66/26/04/1048662604.db2.gz NTCVRSSBWXNTFP-UHFFFAOYSA-N 1 1 331.257 4.422 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)cc1 ZINC001144572467 1048732011 /nfs/dbraw/zinc/73/20/11/1048732011.db2.gz ZMLVJQYMCOWROH-KMDXXIMOSA-N 1 1 343.470 4.365 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576580 1048736186 /nfs/dbraw/zinc/73/61/86/1048736186.db2.gz NOPARYCRTRKYTQ-HXUWFJFHSA-N 1 1 325.839 4.069 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576580 1048736199 /nfs/dbraw/zinc/73/61/99/1048736199.db2.gz NOPARYCRTRKYTQ-HXUWFJFHSA-N 1 1 325.839 4.069 20 30 EIEDMO CC[N@@H+](CCCNCc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000846021888 1048790140 /nfs/dbraw/zinc/79/01/40/1048790140.db2.gz DBTFFKHMWQCEPL-SFHVURJKSA-N 1 1 343.515 4.112 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)cc1 ZINC001144721361 1048832012 /nfs/dbraw/zinc/83/20/12/1048832012.db2.gz IYMADNMMVWPBQT-HXUWFJFHSA-N 1 1 331.419 4.083 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)cc1 ZINC001144744110 1048848541 /nfs/dbraw/zinc/84/85/41/1048848541.db2.gz KKXUQNFXNXJVKG-SFHVURJKSA-N 1 1 349.459 4.211 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001171220535 1048851917 /nfs/dbraw/zinc/85/19/17/1048851917.db2.gz BJQCEHRZRHUOQD-SFHVURJKSA-N 1 1 333.479 4.221 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001171220789 1048855187 /nfs/dbraw/zinc/85/51/87/1048855187.db2.gz BYPHXLYDPLIUJM-YZZKKUAISA-N 1 1 348.490 4.495 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001171220711 1048855631 /nfs/dbraw/zinc/85/56/31/1048855631.db2.gz BCIGMBWZIFCFJL-GOSISDBHSA-N 1 1 334.463 4.170 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2nc(C)sc2C)cc(OC)c1OC ZINC000772944641 1048883072 /nfs/dbraw/zinc/88/30/72/1048883072.db2.gz AIGBMAKCYJWLAB-GFCCVEGCSA-N 1 1 346.496 4.356 20 30 EIEDMO O[C@H](C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccco1 ZINC000747659334 1048899228 /nfs/dbraw/zinc/89/92/28/1048899228.db2.gz YZXOKXQQBWFTLX-OAQYLSRUSA-N 1 1 349.405 4.006 20 30 EIEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000747659599 1048899245 /nfs/dbraw/zinc/89/92/45/1048899245.db2.gz HYQMRVNJRPLQJB-GFCCVEGCSA-N 1 1 337.286 4.384 20 30 EIEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000747659599 1048899250 /nfs/dbraw/zinc/89/92/50/1048899250.db2.gz HYQMRVNJRPLQJB-GFCCVEGCSA-N 1 1 337.286 4.384 20 30 EIEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000076801917 1048943432 /nfs/dbraw/zinc/94/34/32/1048943432.db2.gz ZDEFBLJKEVFYCY-CHWSQXEVSA-N 1 1 345.512 4.068 20 30 EIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135251216 1049093678 /nfs/dbraw/zinc/09/36/78/1049093678.db2.gz DJNCKIJJILDONK-NRFANRHFSA-N 1 1 334.463 4.370 20 30 EIEDMO COC(OC)c1ccc(F)c(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000818198502 1049109680 /nfs/dbraw/zinc/10/96/80/1049109680.db2.gz UMAZUXVPRUHYNH-IBGZPJMESA-N 1 1 342.414 4.252 20 30 EIEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000772989988 1049305600 /nfs/dbraw/zinc/30/56/00/1049305600.db2.gz ZCPNFAJKUNMFAU-ZDUSSCGKSA-N 1 1 349.352 4.290 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000609767209 1049310316 /nfs/dbraw/zinc/31/03/16/1049310316.db2.gz TTYVZJOSMRQCEY-HXUWFJFHSA-N 1 1 341.499 4.061 20 30 EIEDMO CCC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000064557120 1049324837 /nfs/dbraw/zinc/32/48/37/1049324837.db2.gz OWCORJXUVZFDOU-UHFFFAOYSA-N 1 1 348.425 4.295 20 30 EIEDMO CCC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000064557120 1049324854 /nfs/dbraw/zinc/32/48/54/1049324854.db2.gz OWCORJXUVZFDOU-UHFFFAOYSA-N 1 1 348.425 4.295 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610133949 1049556660 /nfs/dbraw/zinc/55/66/60/1049556660.db2.gz XWKKSXRLQFMHFM-HXUWFJFHSA-N 1 1 341.499 4.224 20 30 EIEDMO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000080346500 1049579736 /nfs/dbraw/zinc/57/97/36/1049579736.db2.gz CQJWTZIIBJXZDJ-UHFFFAOYSA-N 1 1 329.469 4.159 20 30 EIEDMO C#CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000773113179 1049589810 /nfs/dbraw/zinc/58/98/10/1049589810.db2.gz CCVXRUHSCIFHBE-QRWLVFNGSA-N 1 1 348.425 4.130 20 30 EIEDMO C#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795322 1049593315 /nfs/dbraw/zinc/59/33/15/1049593315.db2.gz QZLWFCWZXCCUTQ-YHYVQYDKSA-N 1 1 336.454 4.143 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000179804346 1049766978 /nfs/dbraw/zinc/76/69/78/1049766978.db2.gz GJKDMCVHWXUAGO-UHFFFAOYSA-N 1 1 347.462 4.031 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171705625 1049781246 /nfs/dbraw/zinc/78/12/46/1049781246.db2.gz DAEYRRPXKMKMFM-QRWLVFNGSA-N 1 1 340.854 4.256 20 30 EIEDMO CCCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ncsc2C1 ZINC001171724660 1049785778 /nfs/dbraw/zinc/78/57/78/1049785778.db2.gz YDOLVMPQLAPNKT-INIZCTEOSA-N 1 1 343.471 4.313 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001171824954 1049802605 /nfs/dbraw/zinc/80/26/05/1049802605.db2.gz JUUXZVAVAVPYAI-YRXWBPOGSA-N 1 1 348.531 4.288 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001171824953 1049802708 /nfs/dbraw/zinc/80/27/08/1049802708.db2.gz JUUXZVAVAVPYAI-INDMIFKZSA-N 1 1 348.531 4.288 20 30 EIEDMO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CCCC#N ZINC001171841102 1049811262 /nfs/dbraw/zinc/81/12/62/1049811262.db2.gz KBRSMTWCSIVQRL-INIZCTEOSA-N 1 1 326.362 4.286 20 30 EIEDMO C=C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001171835619 1049811376 /nfs/dbraw/zinc/81/13/76/1049811376.db2.gz LESLXLYCKFSIOH-FCHUYYIVSA-N 1 1 348.490 4.127 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846439 1049812583 /nfs/dbraw/zinc/81/25/83/1049812583.db2.gz CEEFTPRTCUNBON-XJKSGUPXSA-N 1 1 341.373 4.208 20 30 EIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1 ZINC001171846439 1049812584 /nfs/dbraw/zinc/81/25/84/1049812584.db2.gz CEEFTPRTCUNBON-XJKSGUPXSA-N 1 1 341.373 4.208 20 30 EIEDMO C=C(C)C[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121160 1049825397 /nfs/dbraw/zinc/82/53/97/1049825397.db2.gz GSWVKGTZTSSMND-OAHLLOKOSA-N 1 1 330.303 4.426 20 30 EIEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000823638491 1049865511 /nfs/dbraw/zinc/86/55/11/1049865511.db2.gz SBCVSIUGFXONEN-VQIMIIECSA-N 1 1 327.472 4.243 20 30 EIEDMO C=CCCC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001136755517 1049865614 /nfs/dbraw/zinc/86/56/14/1049865614.db2.gz YWYQLEPDJKGWML-PMACEKPBSA-N 1 1 328.500 4.117 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001172310692 1049874538 /nfs/dbraw/zinc/87/45/38/1049874538.db2.gz HZCLOQLUEUIZRH-YWZLYKJASA-N 1 1 340.467 4.495 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC001172314626 1049875647 /nfs/dbraw/zinc/87/56/47/1049875647.db2.gz KZQGEEIADLYKNA-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172311580 1049875732 /nfs/dbraw/zinc/87/57/32/1049875732.db2.gz VDWLIVAAUZIGBM-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001172318748 1049876493 /nfs/dbraw/zinc/87/64/93/1049876493.db2.gz IAFGRDWPNDPAJO-GCJKJVERSA-N 1 1 334.463 4.170 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001172354823 1049893154 /nfs/dbraw/zinc/89/31/54/1049893154.db2.gz KWHWVLOTXGOSBX-KRWDZBQOSA-N 1 1 344.503 4.417 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(C#N)cc1 ZINC000037749591 1049915964 /nfs/dbraw/zinc/91/59/64/1049915964.db2.gz QEJFVXNRBLFTML-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495742 1049921709 /nfs/dbraw/zinc/92/17/09/1049921709.db2.gz HHQXDRGDPNKADN-XLIONFOSSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922068 /nfs/dbraw/zinc/92/20/68/1049922068.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 1 1 345.556 4.363 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922076 /nfs/dbraw/zinc/92/20/76/1049922076.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 1 1 345.556 4.363 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494955 1049922167 /nfs/dbraw/zinc/92/21/67/1049922167.db2.gz AFMDPHUYGXJIBI-PXNSSMCTSA-N 1 1 349.519 4.324 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172505568 1049924006 /nfs/dbraw/zinc/92/40/06/1049924006.db2.gz PHTGKEFLZWMXEK-RBUKOAKNSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172505567 1049924716 /nfs/dbraw/zinc/92/47/16/1049924716.db2.gz PHTGKEFLZWMXEK-OALUTQOASA-N 1 1 335.536 4.491 20 30 EIEDMO C[C@@H](CCCC#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001172507430 1049926040 /nfs/dbraw/zinc/92/60/40/1049926040.db2.gz UINYUEHGURGJLH-FQEVSTJZSA-N 1 1 347.506 4.476 20 30 EIEDMO CCCn1cc[nH+]c1CCCN(C)c1c(C#N)cnc2c(C)cccc21 ZINC000617481383 1050012083 /nfs/dbraw/zinc/01/20/83/1050012083.db2.gz IYPLXGNIRDFJEZ-UHFFFAOYSA-N 1 1 347.466 4.090 20 30 EIEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC001177209651 1050161336 /nfs/dbraw/zinc/16/13/36/1050161336.db2.gz PZKINJUQXXGEND-HXUWFJFHSA-N 1 1 327.516 4.088 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181588543 1050231281 /nfs/dbraw/zinc/23/12/81/1050231281.db2.gz BKIYPYSDBYNOHZ-CYBMUJFWSA-N 1 1 342.389 4.476 20 30 EIEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173088233 1050281511 /nfs/dbraw/zinc/28/15/11/1050281511.db2.gz QHXGRABQYAMEAD-MIGQKNRLSA-N 1 1 338.373 4.283 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCc2ncsc2C1 ZINC001173141262 1050323718 /nfs/dbraw/zinc/32/37/18/1050323718.db2.gz HNJCNHOJZLVTSI-HNNXBMFYSA-N 1 1 331.872 4.070 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCc2ncsc2C1 ZINC001173141262 1050323729 /nfs/dbraw/zinc/32/37/29/1050323729.db2.gz HNJCNHOJZLVTSI-HNNXBMFYSA-N 1 1 331.872 4.070 20 30 EIEDMO C=CCOC1CCC([NH2+][C@H](CCC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173313592 1050405931 /nfs/dbraw/zinc/40/59/31/1050405931.db2.gz BGTZZNJMCOLSQH-DAWZGUTISA-N 1 1 339.520 4.236 20 30 EIEDMO Cc1nsc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001186756906 1050406343 /nfs/dbraw/zinc/40/63/43/1050406343.db2.gz HOHKOKATQCKVFF-OAHLLOKOSA-N 1 1 329.494 4.080 20 30 EIEDMO C=CCOC1CCC([N@H+](C)[C@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322722 1050415237 /nfs/dbraw/zinc/41/52/37/1050415237.db2.gz JWMAJKRJWWNLIB-SOAGJPPSSA-N 1 1 329.484 4.484 20 30 EIEDMO C=CCOC1CCC([N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001173322180 1050415524 /nfs/dbraw/zinc/41/55/24/1050415524.db2.gz XNBILGZCFVJAPZ-UHFFFAOYSA-N 1 1 342.527 4.097 20 30 EIEDMO C=CCOC1CCC([N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173323270 1050415975 /nfs/dbraw/zinc/41/59/75/1050415975.db2.gz BEODOMVOUUJCOD-ORFBVSJDSA-N 1 1 342.527 4.097 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001173326190 1050417413 /nfs/dbraw/zinc/41/74/13/1050417413.db2.gz WTQZNFJKQGRIAT-UHFFFAOYSA-N 1 1 334.548 4.229 20 30 EIEDMO C=CCOC1CCC([N@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001173326190 1050417422 /nfs/dbraw/zinc/41/74/22/1050417422.db2.gz WTQZNFJKQGRIAT-UHFFFAOYSA-N 1 1 334.548 4.229 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173326543 1050417792 /nfs/dbraw/zinc/41/77/92/1050417792.db2.gz JSTYKLAAPLPCAO-XVAXZDLZSA-N 1 1 329.484 4.181 20 30 EIEDMO Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594224 1050429362 /nfs/dbraw/zinc/42/93/62/1050429362.db2.gz SYNJTYFXFGOAGE-CHWSQXEVSA-N 1 1 336.279 4.039 20 30 EIEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2CCC(CC#N)CC2)c1 ZINC001173340662 1050430092 /nfs/dbraw/zinc/43/00/92/1050430092.db2.gz JLMABVWZHHFRFL-PPSBMQLTSA-N 1 1 326.440 4.083 20 30 EIEDMO COc1ccccc1O[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596467 1050496114 /nfs/dbraw/zinc/49/61/14/1050496114.db2.gz XXJGWXJFBUUQEF-GNZRSQJKSA-N 1 1 328.456 4.011 20 30 EIEDMO COc1cccc(O[C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173596421 1050496951 /nfs/dbraw/zinc/49/69/51/1050496951.db2.gz WOQKSJCICPYARM-AJPWXKBRSA-N 1 1 328.456 4.011 20 30 EIEDMO CC[N@H+](Cc1ccccc1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596131 1050497578 /nfs/dbraw/zinc/49/75/78/1050497578.db2.gz KOBNSJJBZHMGAG-UHFFFAOYSA-N 1 1 339.527 4.445 20 30 EIEDMO CC[N@@H+](Cc1ccccc1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596131 1050497581 /nfs/dbraw/zinc/49/75/81/1050497581.db2.gz KOBNSJJBZHMGAG-UHFFFAOYSA-N 1 1 339.527 4.445 20 30 EIEDMO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601425 1050502654 /nfs/dbraw/zinc/50/26/54/1050502654.db2.gz SXTRDBQJQBMHGA-YOLZPYMBSA-N 1 1 339.527 4.301 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)s1 ZINC000618801912 1050533518 /nfs/dbraw/zinc/53/35/18/1050533518.db2.gz BMTSYUFHJLTRSX-ZANVPECISA-N 1 1 348.269 4.115 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000155530192 1050551600 /nfs/dbraw/zinc/55/16/00/1050551600.db2.gz FCGZGCAKKWEMDF-IFMALSPDSA-N 1 1 332.447 4.226 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000093315563 1050560116 /nfs/dbraw/zinc/56/01/16/1050560116.db2.gz PHJRCLRVNFIYPW-CQSZACIVSA-N 1 1 327.424 4.028 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc(CC)nc2)C(C)(C)C)cc1 ZINC001179992779 1050843668 /nfs/dbraw/zinc/84/36/68/1050843668.db2.gz ABRNLXRWONBETD-UHFFFAOYSA-N 1 1 339.483 4.405 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000619748821 1050894517 /nfs/dbraw/zinc/89/45/17/1050894517.db2.gz POEVKVVCIFCQLB-UHFFFAOYSA-N 1 1 336.178 4.063 20 30 EIEDMO C#CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296819 1050959778 /nfs/dbraw/zinc/95/97/78/1050959778.db2.gz MBZRDBRSXQPKEX-WZONZLPQSA-N 1 1 349.474 4.223 20 30 EIEDMO Cc1cc(C#N)cc(Cl)c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446171 1050977257 /nfs/dbraw/zinc/97/72/57/1050977257.db2.gz AOOXTCVOGWGROW-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153778 1051097875 /nfs/dbraw/zinc/09/78/75/1051097875.db2.gz VBRNIXVJRZXWTK-VXKWHMMOSA-N 1 1 342.446 4.144 20 30 EIEDMO CCCCCCC[C@@H](C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001181120094 1051158363 /nfs/dbraw/zinc/15/83/63/1051158363.db2.gz GHFPOKIERQURNE-SJLPKXTDSA-N 1 1 332.488 4.366 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000775399240 1051223797 /nfs/dbraw/zinc/22/37/97/1051223797.db2.gz QMNWNGWWVZCIRN-HXUWFJFHSA-N 1 1 332.403 4.204 20 30 EIEDMO C=C(C)C[N@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccccc1 ZINC001181410209 1051226622 /nfs/dbraw/zinc/22/66/22/1051226622.db2.gz JSMDLDVQSRNUSY-UHFFFAOYSA-N 1 1 326.440 4.078 20 30 EIEDMO CCC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC(C)C ZINC001190644523 1051243542 /nfs/dbraw/zinc/24/35/42/1051243542.db2.gz XFDNFKPIOYBZEF-UHFFFAOYSA-N 1 1 349.906 4.263 20 30 EIEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001190651882 1051245685 /nfs/dbraw/zinc/24/56/85/1051245685.db2.gz RYBYZXNXBQYZBM-LJQANCHMSA-N 1 1 347.547 4.259 20 30 EIEDMO C#CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCCCC1 ZINC001190699857 1051248172 /nfs/dbraw/zinc/24/81/72/1051248172.db2.gz PANWAOVBOTXKQT-UHFFFAOYSA-N 1 1 327.859 4.294 20 30 EIEDMO C#CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCCCC1 ZINC001190699857 1051248185 /nfs/dbraw/zinc/24/81/85/1051248185.db2.gz PANWAOVBOTXKQT-UHFFFAOYSA-N 1 1 327.859 4.294 20 30 EIEDMO C#CC[C@@H](NCCC[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403312 1051257387 /nfs/dbraw/zinc/25/73/87/1051257387.db2.gz FRNXWTSSRPCCSD-ZRZAMGCNSA-N 1 1 330.475 4.085 20 30 EIEDMO C#CC[C@@H]([NH2+]CCCN[C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403312 1051257393 /nfs/dbraw/zinc/25/73/93/1051257393.db2.gz FRNXWTSSRPCCSD-ZRZAMGCNSA-N 1 1 330.475 4.085 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1Cc1ccc(C#N)cc1 ZINC001174942540 1051262289 /nfs/dbraw/zinc/26/22/89/1051262289.db2.gz WYJSRHDEHPYSSK-UHFFFAOYSA-N 1 1 347.506 4.433 20 30 EIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)C(C)(C)CN1Cc1ccccc1 ZINC001174942540 1051262294 /nfs/dbraw/zinc/26/22/94/1051262294.db2.gz WYJSRHDEHPYSSK-UHFFFAOYSA-N 1 1 347.506 4.433 20 30 EIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C(C)(C)CN1Cc1ccccc1 ZINC001174942540 1051262299 /nfs/dbraw/zinc/26/22/99/1051262299.db2.gz WYJSRHDEHPYSSK-UHFFFAOYSA-N 1 1 347.506 4.433 20 30 EIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001181729542 1051288516 /nfs/dbraw/zinc/28/85/16/1051288516.db2.gz NSRDUSPFXSLNCG-UHFFFAOYSA-N 1 1 338.882 4.212 20 30 EIEDMO CCCCCCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001191096212 1051362176 /nfs/dbraw/zinc/36/21/76/1051362176.db2.gz UYXWIFSYDWSEPY-UHFFFAOYSA-N 1 1 349.494 4.013 20 30 EIEDMO CCCCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001191096212 1051362187 /nfs/dbraw/zinc/36/21/87/1051362187.db2.gz UYXWIFSYDWSEPY-UHFFFAOYSA-N 1 1 349.494 4.013 20 30 EIEDMO CC#CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000155087946 1051375983 /nfs/dbraw/zinc/37/59/83/1051375983.db2.gz HDKJSLYUAOKZEI-CQSZACIVSA-N 1 1 340.389 4.158 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(Br)cc1 ZINC001182031176 1051377864 /nfs/dbraw/zinc/37/78/64/1051377864.db2.gz GZIDZZGNMSPEDM-SFHVURJKSA-N 1 1 344.252 4.312 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(Br)cc1 ZINC001182043352 1051379291 /nfs/dbraw/zinc/37/92/91/1051379291.db2.gz JLXRCYITCPLFEN-QGZVFWFLSA-N 1 1 348.215 4.061 20 30 EIEDMO N#CC1CC[NH+](Cc2sc3ccccc3c2Br)CC1 ZINC001237589635 1051380475 /nfs/dbraw/zinc/38/04/75/1051380475.db2.gz WEXHNTPFVBXVDP-UHFFFAOYSA-N 1 1 335.270 4.399 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc(C)c2C)cc1 ZINC001191144521 1051380603 /nfs/dbraw/zinc/38/06/03/1051380603.db2.gz JVVMUSHDTUAOOL-QFIPXVFZSA-N 1 1 346.474 4.450 20 30 EIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183573 1051391635 /nfs/dbraw/zinc/39/16/35/1051391635.db2.gz SGOHALRDTCOMGL-VGSWGCGISA-N 1 1 347.462 4.278 20 30 EIEDMO CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191257777 1051395481 /nfs/dbraw/zinc/39/54/81/1051395481.db2.gz KWOPDFXIXNNNSN-AUUYWEPGSA-N 1 1 347.890 4.441 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001182186372 1051417124 /nfs/dbraw/zinc/41/71/24/1051417124.db2.gz INNVJUHDQSZGLA-LJQANCHMSA-N 1 1 342.483 4.124 20 30 EIEDMO CCCC[N@@H+](CC)[C@H](C(=O)Nc1ccsc1C#N)c1ccccc1 ZINC001182231075 1051430025 /nfs/dbraw/zinc/43/00/25/1051430025.db2.gz GGGUXBLVIRIFIU-SFHVURJKSA-N 1 1 341.480 4.422 20 30 EIEDMO CC[C@H](CC#N)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243332 1051437388 /nfs/dbraw/zinc/43/73/88/1051437388.db2.gz GNHUJPMEOBXZCO-QZTJIDSGSA-N 1 1 347.890 4.066 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000183819475 1051458623 /nfs/dbraw/zinc/45/86/23/1051458623.db2.gz IOCCLZCASIGPTM-ZDUSSCGKSA-N 1 1 330.863 4.208 20 30 EIEDMO CCC[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001192262020 1051675464 /nfs/dbraw/zinc/67/54/64/1051675464.db2.gz PCAZFTYZJZIRDK-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO CCC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001192262020 1051675476 /nfs/dbraw/zinc/67/54/76/1051675476.db2.gz PCAZFTYZJZIRDK-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO Cc1cc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(O)cc1Cl ZINC001183023628 1051770539 /nfs/dbraw/zinc/77/05/39/1051770539.db2.gz IMVUZEVANOLISN-QGZVFWFLSA-N 1 1 325.839 4.195 20 30 EIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000158684533 1051776077 /nfs/dbraw/zinc/77/60/77/1051776077.db2.gz ZFUCOARTIDAWMP-UHFFFAOYSA-N 1 1 344.462 4.486 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC001192635856 1051784713 /nfs/dbraw/zinc/78/47/13/1051784713.db2.gz RSVKSXKPOGWIAE-INIZCTEOSA-N 1 1 347.245 4.177 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001192939838 1051841440 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CCCC#CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001184273048 1051976952 /nfs/dbraw/zinc/97/69/52/1051976952.db2.gz JZIGFODLJRGVJS-LJQANCHMSA-N 1 1 332.447 4.006 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001193957478 1052030538 /nfs/dbraw/zinc/03/05/38/1052030538.db2.gz YMCXCOQNKFWMJW-LMQGHGSNSA-N 1 1 345.914 4.343 20 30 EIEDMO C#CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194165436 1052094009 /nfs/dbraw/zinc/09/40/09/1052094009.db2.gz RXPPSHMWNUUYCD-UHFFFAOYSA-N 1 1 343.348 4.072 20 30 EIEDMO C#CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194165436 1052094017 /nfs/dbraw/zinc/09/40/17/1052094017.db2.gz RXPPSHMWNUUYCD-UHFFFAOYSA-N 1 1 343.348 4.072 20 30 EIEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222259 1052111511 /nfs/dbraw/zinc/11/15/11/1052111511.db2.gz QPHYNKZAGJIDJZ-DYESRHJHSA-N 1 1 347.462 4.360 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(F)cc1F ZINC000774799280 1052137386 /nfs/dbraw/zinc/13/73/86/1052137386.db2.gz RNHUFWSATRIPOS-LLVKDONJSA-N 1 1 336.769 4.371 20 30 EIEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccc(C#N)c(F)c1 ZINC001194457986 1052148822 /nfs/dbraw/zinc/14/88/22/1052148822.db2.gz QJVCGRBIZAJKIQ-LLVKDONJSA-N 1 1 342.805 4.420 20 30 EIEDMO C=C(C)COc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000622266599 1052169611 /nfs/dbraw/zinc/16/96/11/1052169611.db2.gz MPFJIAKBJCZLSU-ROUUACIJSA-N 1 1 346.515 4.003 20 30 EIEDMO C=C(C)COc1cc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000622266599 1052169613 /nfs/dbraw/zinc/16/96/13/1052169613.db2.gz MPFJIAKBJCZLSU-ROUUACIJSA-N 1 1 346.515 4.003 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001176662895 1052173161 /nfs/dbraw/zinc/17/31/61/1052173161.db2.gz ACAQARAOINYBSG-LJQANCHMSA-N 1 1 326.465 4.226 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1OCc1cccnc1)C(C)C ZINC000774837043 1052186776 /nfs/dbraw/zinc/18/67/76/1052186776.db2.gz ABNSWFVEJUBDGW-UHFFFAOYSA-N 1 1 326.440 4.066 20 30 EIEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814693 1052196504 /nfs/dbraw/zinc/19/65/04/1052196504.db2.gz PAJCWQMIUSOMSS-AEFFLSMTSA-N 1 1 336.435 4.456 20 30 EIEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814693 1052196509 /nfs/dbraw/zinc/19/65/09/1052196509.db2.gz PAJCWQMIUSOMSS-AEFFLSMTSA-N 1 1 336.435 4.456 20 30 EIEDMO CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000072557980 1052434409 /nfs/dbraw/zinc/43/44/09/1052434409.db2.gz QEHBMXTZRZJOOR-IBGZPJMESA-N 1 1 332.407 4.095 20 30 EIEDMO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000072898021 1052622205 /nfs/dbraw/zinc/62/22/05/1052622205.db2.gz CEFCBSAUWKJHPC-PZJWPPBQSA-N 1 1 347.462 4.095 20 30 EIEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000179933081 1052765827 /nfs/dbraw/zinc/76/58/27/1052765827.db2.gz AVDRGZWZCGMDDY-AWEZNQCLSA-N 1 1 326.415 4.486 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)ccc1OC ZINC000183256059 1052967754 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EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794708396 1053333412 /nfs/dbraw/zinc/33/34/12/1053333412.db2.gz ZQXVNLBFLLMRSP-OAHLLOKOSA-N 1 1 334.533 4.193 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794708396 1053333428 /nfs/dbraw/zinc/33/34/28/1053333428.db2.gz ZQXVNLBFLLMRSP-OAHLLOKOSA-N 1 1 334.533 4.193 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)cc1 ZINC001195376425 1053392368 /nfs/dbraw/zinc/39/23/68/1053392368.db2.gz JPLKKXMIOSJELC-NRFANRHFSA-N 1 1 346.474 4.470 20 30 EIEDMO CC(C)CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000350667721 1053425585 /nfs/dbraw/zinc/42/55/85/1053425585.db2.gz DSNYOHNMZTYVBX-UHFFFAOYSA-N 1 1 337.467 4.248 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000615438853 1053456037 /nfs/dbraw/zinc/45/60/37/1053456037.db2.gz FVMBGPNTRQEOHJ-ICCXJUOJSA-N 1 1 336.279 4.292 20 30 EIEDMO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC001195789633 1053489095 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N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(Cl)cncc1Cl ZINC000865606399 1053557808 /nfs/dbraw/zinc/55/78/08/1053557808.db2.gz YSPHHPNRPFTIKJ-QGZVFWFLSA-N 1 1 332.234 4.427 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776587363 1053568735 /nfs/dbraw/zinc/56/87/35/1053568735.db2.gz MSZZVWHOQBXKPY-IRXDYDNUSA-N 1 1 349.519 4.180 20 30 EIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047903 1053570793 /nfs/dbraw/zinc/57/07/93/1053570793.db2.gz HUYGPEDIRHSKQP-PKOBYXMFSA-N 1 1 348.531 4.147 20 30 EIEDMO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001196132705 1053586415 /nfs/dbraw/zinc/58/64/15/1053586415.db2.gz LQSOKXRTDSQIHY-JOCHJYFZSA-N 1 1 326.528 4.413 20 30 EIEDMO C#CCCCCCCN1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001196132705 1053586430 /nfs/dbraw/zinc/58/64/30/1053586430.db2.gz LQSOKXRTDSQIHY-JOCHJYFZSA-N 1 1 326.528 4.413 20 30 EIEDMO C#CCCCCCCN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001196132705 1053586445 /nfs/dbraw/zinc/58/64/45/1053586445.db2.gz LQSOKXRTDSQIHY-JOCHJYFZSA-N 1 1 326.528 4.413 20 30 EIEDMO CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001196410890 1053665831 /nfs/dbraw/zinc/66/58/31/1053665831.db2.gz VEMRNLBHZLUTKF-FQEVSTJZSA-N 1 1 342.870 4.403 20 30 EIEDMO CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001196410891 1053666246 /nfs/dbraw/zinc/66/62/46/1053666246.db2.gz VEMRNLBHZLUTKF-HXUWFJFHSA-N 1 1 342.870 4.403 20 30 EIEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000265963364 1053680700 /nfs/dbraw/zinc/68/07/00/1053680700.db2.gz LEOWMVDQFKKXJV-CVEARBPZSA-N 1 1 345.874 4.047 20 30 EIEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000265963364 1053680705 /nfs/dbraw/zinc/68/07/05/1053680705.db2.gz LEOWMVDQFKKXJV-CVEARBPZSA-N 1 1 345.874 4.047 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2csc(C#N)c2)C1 ZINC000921535313 1053720429 /nfs/dbraw/zinc/72/04/29/1053720429.db2.gz JMBCDIJLLPXMOI-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C=C(Cl)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854106164 1053758041 /nfs/dbraw/zinc/75/80/41/1053758041.db2.gz DIZJTTGMWVTITP-UHFFFAOYSA-N 1 1 331.822 4.215 20 30 EIEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC001196810101 1053762240 /nfs/dbraw/zinc/76/22/40/1053762240.db2.gz ZXYRKQAGQFQJSU-AWEZNQCLSA-N 1 1 347.890 4.298 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776745669 1053822904 /nfs/dbraw/zinc/82/29/04/1053822904.db2.gz GRNGQMHYTTUIQW-SNVBAGLBSA-N 1 1 333.750 4.110 20 30 EIEDMO C[N@@H+](CCSc1ccc(Cl)cc1)CCc1cccc(C#N)c1 ZINC001197114450 1053840140 /nfs/dbraw/zinc/84/01/40/1053840140.db2.gz HKVJZRLAHRUGIX-UHFFFAOYSA-N 1 1 330.884 4.478 20 30 EIEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1cc(Cl)ccc1OCC#N ZINC001197203924 1053853204 /nfs/dbraw/zinc/85/32/04/1053853204.db2.gz WKPSPJYHWYPYCR-UHFFFAOYSA-N 1 1 339.826 4.356 20 30 EIEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC001197604140 1053954588 /nfs/dbraw/zinc/95/45/88/1053954588.db2.gz ZSZYGYVXQCDBQW-ZDUSSCGKSA-N 1 1 347.528 4.051 20 30 EIEDMO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001197701713 1053975471 /nfs/dbraw/zinc/97/54/71/1053975471.db2.gz OIPDCDKYDXRZCC-JOCHJYFZSA-N 1 1 348.446 4.085 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1F ZINC001197882875 1054014335 /nfs/dbraw/zinc/01/43/35/1054014335.db2.gz ZYPRSUQWPTXWCL-CQSZACIVSA-N 1 1 341.455 4.022 20 30 EIEDMO CCOc1ccc(C2=CC[N@H+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000509490226 1054042100 /nfs/dbraw/zinc/04/21/00/1054042100.db2.gz WQWCPFATWSDULU-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000509490226 1054042105 /nfs/dbraw/zinc/04/21/05/1054042105.db2.gz WQWCPFATWSDULU-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C#CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCCc2ccccc21 ZINC001198103626 1054078736 /nfs/dbraw/zinc/07/87/36/1054078736.db2.gz IXEUEBHYVIAIRX-QFIPXVFZSA-N 1 1 342.442 4.453 20 30 EIEDMO N#Cc1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000921620765 1054110259 /nfs/dbraw/zinc/11/02/59/1054110259.db2.gz LCEKHULKOWOEKG-UHFFFAOYSA-N 1 1 339.508 4.286 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000857075249 1054172708 /nfs/dbraw/zinc/17/27/08/1054172708.db2.gz VTWXCOZCPDGTER-IBGZPJMESA-N 1 1 349.478 4.071 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC000872180322 1054422662 /nfs/dbraw/zinc/42/26/62/1054422662.db2.gz OIIMOHLEOKBIIW-GFCCVEGCSA-N 1 1 344.217 4.330 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc(OC)c1O ZINC000872261454 1054428045 /nfs/dbraw/zinc/42/80/45/1054428045.db2.gz FHXRFYRBRPOAEE-IBGZPJMESA-N 1 1 345.483 4.053 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776002511 1054437436 /nfs/dbraw/zinc/43/74/36/1054437436.db2.gz FBVCXQIODQHWRY-PXNSSMCTSA-N 1 1 325.452 4.283 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012674 1054444434 /nfs/dbraw/zinc/44/44/34/1054444434.db2.gz INULANRJXJZZKO-XJKCOSOUSA-N 1 1 326.362 4.140 20 30 EIEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)c(C)n1-c1cccc(C)c1 ZINC000858293117 1054455676 /nfs/dbraw/zinc/45/56/76/1054455676.db2.gz JSDJNKPPTJIVOO-UHFFFAOYSA-N 1 1 336.464 4.021 20 30 EIEDMO CC1(C)CCc2onc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2C1 ZINC000873174098 1054499795 /nfs/dbraw/zinc/49/97/95/1054499795.db2.gz KPTOWUKJAIXYLZ-UHFFFAOYSA-N 1 1 335.451 4.034 20 30 EIEDMO C[C@H](CCNCc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC001200941840 1054597325 /nfs/dbraw/zinc/59/73/25/1054597325.db2.gz KTBPMJIIKVVYIE-LJQANCHMSA-N 1 1 349.522 4.488 20 30 EIEDMO C[C@H](CCNCc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200941840 1054597342 /nfs/dbraw/zinc/59/73/42/1054597342.db2.gz KTBPMJIIKVVYIE-LJQANCHMSA-N 1 1 349.522 4.488 20 30 EIEDMO C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC001200941840 1054597359 /nfs/dbraw/zinc/59/73/59/1054597359.db2.gz KTBPMJIIKVVYIE-LJQANCHMSA-N 1 1 349.522 4.488 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c(Br)c1 ZINC000776155159 1054758855 /nfs/dbraw/zinc/75/88/55/1054758855.db2.gz ZJOHJJLYVCQYQV-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO N#Cc1cccc(F)c1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474368 1054826931 /nfs/dbraw/zinc/82/69/31/1054826931.db2.gz FFYPPKRQNVPSLR-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO N#Cc1cccc(F)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474368 1054826939 /nfs/dbraw/zinc/82/69/39/1054826939.db2.gz FFYPPKRQNVPSLR-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO N#Cc1cccc(F)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474368 1054826943 /nfs/dbraw/zinc/82/69/43/1054826943.db2.gz FFYPPKRQNVPSLR-MOPGFXCFSA-N 1 1 333.410 4.430 20 30 EIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000125824037 1054868821 /nfs/dbraw/zinc/86/88/21/1054868821.db2.gz HCMLQVNMJIISLV-KRWDZBQOSA-N 1 1 337.467 4.238 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCc1ccccc1)[C@H]2CC ZINC001201661403 1054879345 /nfs/dbraw/zinc/87/93/45/1054879345.db2.gz PUUVMTZHUPJYLI-UNMCSNQZSA-N 1 1 340.511 4.041 20 30 EIEDMO Cc1[nH+]ccn1CCCSCc1cc(Cl)ccc1OCC#N ZINC000776207084 1054898272 /nfs/dbraw/zinc/89/82/72/1054898272.db2.gz ASDONUUPMUTFPY-UHFFFAOYSA-N 1 1 335.860 4.071 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201762461 1054899305 /nfs/dbraw/zinc/89/93/05/1054899305.db2.gz LWGRBNZDDLUPFW-VQTJNVASSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001201762312 1054900641 /nfs/dbraw/zinc/90/06/41/1054900641.db2.gz FNEHDAFYVJCODV-NJDAHSKKSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCCC[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001201813752 1054912467 /nfs/dbraw/zinc/91/24/67/1054912467.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 1 1 336.564 4.027 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001201813752 1054912473 /nfs/dbraw/zinc/91/24/73/1054912473.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 1 1 336.564 4.027 20 30 EIEDMO CCCCCCCN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201776602 1054913903 /nfs/dbraw/zinc/91/39/03/1054913903.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 1 1 346.563 4.027 20 30 EIEDMO CCCCCCCN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201776602 1054913916 /nfs/dbraw/zinc/91/39/16/1054913916.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 1 1 346.563 4.027 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001201815185 1054914485 /nfs/dbraw/zinc/91/44/85/1054914485.db2.gz YMVCDIWIXOXHME-SFHVURJKSA-N 1 1 333.520 4.106 20 30 EIEDMO CCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@]2(CCN(CC)C2=O)C1 ZINC001201776878 1054917948 /nfs/dbraw/zinc/91/79/48/1054917948.db2.gz OULDWGPLUZNXML-IRLDBZIGSA-N 1 1 342.527 4.295 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CCCCCCCCC)CC2 ZINC001201839627 1054932335 /nfs/dbraw/zinc/93/23/35/1054932335.db2.gz ONBHTRMTAFLESJ-UHFFFAOYSA-N 1 1 333.520 4.231 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201840230 1054934798 /nfs/dbraw/zinc/93/47/98/1054934798.db2.gz XDTAKQVEDBLQSF-OAQYLSRUSA-N 1 1 343.515 4.261 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000876793196 1054957805 /nfs/dbraw/zinc/95/78/05/1054957805.db2.gz IWHIPGZQHJLPTI-FUHWJXTLSA-N 1 1 328.481 4.224 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccc(F)c(F)c1 ZINC001202066432 1055007999 /nfs/dbraw/zinc/00/79/99/1055007999.db2.gz YJLJORWOXWVZHJ-LJQANCHMSA-N 1 1 340.377 4.157 20 30 EIEDMO C[C@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000877170167 1055030274 /nfs/dbraw/zinc/03/02/74/1055030274.db2.gz JFTGDACPNUPTKJ-OXJNMPFZSA-N 1 1 335.451 4.032 20 30 EIEDMO Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(OCC#N)cc2)on1 ZINC001137121342 1055065265 /nfs/dbraw/zinc/06/52/65/1055065265.db2.gz GARRKAKESLIHOI-UHFFFAOYSA-N 1 1 347.418 4.088 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(OCC#N)cc2)on1 ZINC001137121342 1055065285 /nfs/dbraw/zinc/06/52/85/1055065285.db2.gz GARRKAKESLIHOI-UHFFFAOYSA-N 1 1 347.418 4.088 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137122881 1055083362 /nfs/dbraw/zinc/08/33/62/1055083362.db2.gz XGPBHRNKSDLIMR-FQEVSTJZSA-N 1 1 336.435 4.072 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137122881 1055083371 /nfs/dbraw/zinc/08/33/71/1055083371.db2.gz XGPBHRNKSDLIMR-FQEVSTJZSA-N 1 1 336.435 4.072 20 30 EIEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877582830 1055086268 /nfs/dbraw/zinc/08/62/68/1055086268.db2.gz AITHRZWAUVGQDH-MRXNPFEDSA-N 1 1 331.422 4.251 20 30 EIEDMO CCc1ccc(C[N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877932439 1055157362 /nfs/dbraw/zinc/15/73/62/1055157362.db2.gz GPYQAZRGKBKKKY-QFIPXVFZSA-N 1 1 334.463 4.121 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044468 1055179159 /nfs/dbraw/zinc/17/91/59/1055179159.db2.gz PFISORDNKOJTSL-XMSQKQJNSA-N 1 1 334.463 4.163 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000878109170 1055190040 /nfs/dbraw/zinc/19/00/40/1055190040.db2.gz NEHYTLHSNXOXOQ-QTGUNEKASA-N 1 1 346.474 4.305 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120784 1055192111 /nfs/dbraw/zinc/19/21/11/1055192111.db2.gz PGLSVHYKFCWZOH-CVDCTZTESA-N 1 1 348.490 4.299 20 30 EIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874928 1055196606 /nfs/dbraw/zinc/19/66/06/1055196606.db2.gz XGMXYSYCZMTBGH-AWEZNQCLSA-N 1 1 329.469 4.094 20 30 EIEDMO N#CCC1CC[NH+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815661 1055334407 /nfs/dbraw/zinc/33/44/07/1055334407.db2.gz UNKQCSBJBONDFR-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(C#N)c(F)c1 ZINC000553768902 1055824960 /nfs/dbraw/zinc/82/49/60/1055824960.db2.gz BDZARABFZZVFDX-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301510648 1055944321 /nfs/dbraw/zinc/94/43/21/1055944321.db2.gz BHNKUKHPGIYWCU-HOCLYGCPSA-N 1 1 340.858 4.072 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134389 1056021018 /nfs/dbraw/zinc/02/10/18/1056021018.db2.gz ZJTYQQKSSAOKAZ-KKSFZXQISA-N 1 1 347.462 4.226 20 30 EIEDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412106 1056112979 /nfs/dbraw/zinc/11/29/79/1056112979.db2.gz USAMYIRUSQPIEN-HYFFOGBASA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412106 1056113026 /nfs/dbraw/zinc/11/30/26/1056113026.db2.gz USAMYIRUSQPIEN-HYFFOGBASA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412106 1056113059 /nfs/dbraw/zinc/11/30/59/1056113059.db2.gz USAMYIRUSQPIEN-HYFFOGBASA-N 1 1 333.479 4.044 20 30 EIEDMO COc1ccc([C@H]2C[C@H]([N@@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653662 1056160338 /nfs/dbraw/zinc/16/03/38/1056160338.db2.gz NJGWTVGXRCHRQG-UYAOXDASSA-N 1 1 328.456 4.074 20 30 EIEDMO COc1cccc(C[NH2+]Cc2csc(C#N)c2)c1OC1CCCC1 ZINC000921737592 1056286252 /nfs/dbraw/zinc/28/62/52/1056286252.db2.gz HZHCEWGXFVEPET-UHFFFAOYSA-N 1 1 342.464 4.240 20 30 EIEDMO N#Cc1cnc2ccccc2c1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303777669 1056288621 /nfs/dbraw/zinc/28/86/21/1056288621.db2.gz KGBMGJDETQBCCR-LJQANCHMSA-N 1 1 342.446 4.183 20 30 EIEDMO N#Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn2ccccc12 ZINC000554835236 1056374849 /nfs/dbraw/zinc/37/48/49/1056374849.db2.gz PUYYFHVMOWUOJU-QGZVFWFLSA-N 1 1 347.384 4.365 20 30 EIEDMO N#Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn2ccccc12 ZINC000554835236 1056374867 /nfs/dbraw/zinc/37/48/67/1056374867.db2.gz PUYYFHVMOWUOJU-QGZVFWFLSA-N 1 1 347.384 4.365 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000619535304 1056398031 /nfs/dbraw/zinc/39/80/31/1056398031.db2.gz ZKUWGYBAEWCYAK-UHFFFAOYSA-N 1 1 344.817 4.451 20 30 EIEDMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(C#N)CCC3)s2)cc1 ZINC000450729417 1056732502 /nfs/dbraw/zinc/73/25/02/1056732502.db2.gz PLQJUKFKIWQFBJ-ZDUSSCGKSA-N 1 1 341.480 4.472 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000742381642 1058585246 /nfs/dbraw/zinc/58/52/46/1058585246.db2.gz AOQPDINUCVBAOY-UHFFFAOYSA-N 1 1 340.732 4.242 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743262267 1058909496 /nfs/dbraw/zinc/90/94/96/1058909496.db2.gz SNNBBRZMURKWIV-LJQANCHMSA-N 1 1 331.843 4.070 20 30 EIEDMO CCCCCC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000743450173 1058996862 /nfs/dbraw/zinc/99/68/62/1058996862.db2.gz HDKXASDZBQPPQB-QZTJIDSGSA-N 1 1 330.520 4.228 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000746151502 1060048078 /nfs/dbraw/zinc/04/80/78/1060048078.db2.gz BZEBJUHYOKPMSE-FQEVSTJZSA-N 1 1 344.405 4.028 20 30 EIEDMO C#CCOc1ccc([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766409447 1060339181 /nfs/dbraw/zinc/33/91/81/1060339181.db2.gz PLUZLDSKWUMWRH-GOSISDBHSA-N 1 1 340.511 4.146 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168903307 1060512729 /nfs/dbraw/zinc/51/27/29/1060512729.db2.gz RCXDDGCTMBWMRM-FQEVSTJZSA-N 1 1 341.499 4.099 20 30 EIEDMO Cc1cc(C#N)cc(C)c1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001169536282 1060849391 /nfs/dbraw/zinc/84/93/91/1060849391.db2.gz AEFKTRGEYWKXLY-QGZVFWFLSA-N 1 1 339.508 4.115 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169748388 1060925761 /nfs/dbraw/zinc/92/57/61/1060925761.db2.gz XFZXMJCWOAGITO-MDMXATFFSA-N 1 1 338.499 4.484 20 30 EIEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C1CCCCC1 ZINC000766864616 1061004098 /nfs/dbraw/zinc/00/40/98/1061004098.db2.gz WPFLIPLDYQIEPM-UHFFFAOYSA-N 1 1 326.484 4.290 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccc(-c2ccccn2)cc1 ZINC001169888431 1061006890 /nfs/dbraw/zinc/00/68/90/1061006890.db2.gz RMYKQKNXVVRIFK-UHFFFAOYSA-N 1 1 341.418 4.291 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001169901271 1061024097 /nfs/dbraw/zinc/02/40/97/1061024097.db2.gz RHLTVKKRXJBPQU-UHFFFAOYSA-N 1 1 338.838 4.380 20 30 EIEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001169934266 1061038791 /nfs/dbraw/zinc/03/87/91/1061038791.db2.gz ZBYBYKOOADXONY-AWEZNQCLSA-N 1 1 347.890 4.441 20 30 EIEDMO Cc1cc(C)c(NC(=O)CCC[N@@H+](CCC#N)CC(C)C)c(C)c1 ZINC000766897977 1061058029 /nfs/dbraw/zinc/05/80/29/1061058029.db2.gz UVXIZTPPKQSTHN-UHFFFAOYSA-N 1 1 329.488 4.202 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000096970079 218907678 /nfs/dbraw/zinc/90/76/78/218907678.db2.gz DUZJYQZAJLXJGX-UHFFFAOYSA-N 1 1 341.480 4.086 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017268 721835993 /nfs/dbraw/zinc/83/59/93/721835993.db2.gz JRNKVZBEPIHXTL-LJQANCHMSA-N 1 1 326.488 4.291 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)cc1 ZINC000760266124 1032161681 /nfs/dbraw/zinc/16/16/81/1032161681.db2.gz RZDBKKSVMFHZKJ-BAQGIRSFSA-N 1 1 337.810 4.434 20 30 EIEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450000159 1032190189 /nfs/dbraw/zinc/19/01/89/1032190189.db2.gz RPVBUYQGVXAWAS-HXUWFJFHSA-N 1 1 340.511 4.103 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000237501524 1032229761 /nfs/dbraw/zinc/22/97/61/1032229761.db2.gz HEXAHNWQOGRASC-KKSFZXQISA-N 1 1 332.403 4.450 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000237607999 1032233645 /nfs/dbraw/zinc/23/36/45/1032233645.db2.gz DSCLGJSBNBIRGO-VGOFRKELSA-N 1 1 343.430 4.252 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000532744741 1032281131 /nfs/dbraw/zinc/28/11/31/1032281131.db2.gz WNWVCRVMIWDNIL-HXUWFJFHSA-N 1 1 333.435 4.032 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000532779841 1032307518 /nfs/dbraw/zinc/30/75/18/1032307518.db2.gz MANBWUDZYHVSSN-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000532779841 1032307533 /nfs/dbraw/zinc/30/75/33/1032307533.db2.gz MANBWUDZYHVSSN-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956491 1032313841 /nfs/dbraw/zinc/31/38/41/1032313841.db2.gz GWDIHIPRPIWFFO-IBGZPJMESA-N 1 1 349.434 4.162 20 30 EIEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956491 1032313855 /nfs/dbraw/zinc/31/38/55/1032313855.db2.gz GWDIHIPRPIWFFO-IBGZPJMESA-N 1 1 349.434 4.162 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000533070394 1032471487 /nfs/dbraw/zinc/47/14/87/1032471487.db2.gz OEFJCVYRRJPMFW-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000533070394 1032471499 /nfs/dbraw/zinc/47/14/99/1032471499.db2.gz OEFJCVYRRJPMFW-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000533289215 1032601000 /nfs/dbraw/zinc/60/10/00/1032601000.db2.gz AFEKXFOADJZWDI-GOSISDBHSA-N 1 1 337.423 4.016 20 30 EIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000533289215 1032601016 /nfs/dbraw/zinc/60/10/16/1032601016.db2.gz AFEKXFOADJZWDI-GOSISDBHSA-N 1 1 337.423 4.016 20 30 EIEDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533309701 1032619809 /nfs/dbraw/zinc/61/98/09/1032619809.db2.gz NOJNRMDYJRFVTC-OAHLLOKOSA-N 1 1 326.415 4.473 20 30 EIEDMO CCOc1ccccc1C1=CC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000512389678 1032628244 /nfs/dbraw/zinc/62/82/44/1032628244.db2.gz QBOAHCYKMOQEIQ-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000512389678 1032628255 /nfs/dbraw/zinc/62/82/55/1032628255.db2.gz QBOAHCYKMOQEIQ-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246116714 1032709671 /nfs/dbraw/zinc/70/96/71/1032709671.db2.gz RETYONIMDPHWBN-WMZOPIPTSA-N 1 1 332.513 4.016 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274590316 1018821480 /nfs/dbraw/zinc/82/14/80/1018821480.db2.gz JUCOYUFPUMJVAV-NXEZZACHSA-N 1 1 325.359 4.445 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274590317 1018822312 /nfs/dbraw/zinc/82/23/12/1018822312.db2.gz JUCOYUFPUMJVAV-UWVGGRQHSA-N 1 1 325.359 4.445 20 30 EIEDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428063 1019674438 /nfs/dbraw/zinc/67/44/38/1019674438.db2.gz BTFDUYHQJMHZIP-LBPRGKRZSA-N 1 1 345.258 4.309 20 30 EIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000339660300 1019784035 /nfs/dbraw/zinc/78/40/35/1019784035.db2.gz WVJFXXUQBVEJPT-LJQANCHMSA-N 1 1 348.425 4.020 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001167094432 1019916475 /nfs/dbraw/zinc/91/64/75/1019916475.db2.gz PJWBIZKHWMRSOQ-UHFFFAOYSA-N 1 1 344.842 4.121 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094638 1019925654 /nfs/dbraw/zinc/92/56/54/1019925654.db2.gz XCMTWTSVQKJZHC-UHFFFAOYSA-N 1 1 344.842 4.121 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CCCCCC/C=C\CC)CC2 ZINC001209286460 1020187341 /nfs/dbraw/zinc/18/73/41/1020187341.db2.gz HEIQYYSLKRGAAT-SREVYHEPSA-N 1 1 345.531 4.398 20 30 EIEDMO C=CC[N@H+](CCSc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC001167115759 1020215960 /nfs/dbraw/zinc/21/59/60/1020215960.db2.gz JEZMXCOTSJEJFD-UHFFFAOYSA-N 1 1 343.492 4.484 20 30 EIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218055 /nfs/dbraw/zinc/21/80/55/1020218055.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 1 1 347.506 4.387 20 30 EIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218059 /nfs/dbraw/zinc/21/80/59/1020218059.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218062 /nfs/dbraw/zinc/21/80/62/1020218062.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 1 1 347.506 4.387 20 30 EIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218066 /nfs/dbraw/zinc/21/80/66/1020218066.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 1 1 347.506 4.387 20 30 EIEDMO C=CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC001167251891 1020676842 /nfs/dbraw/zinc/67/68/42/1020676842.db2.gz MZIYPMOHXGUEAU-UHFFFAOYSA-N 1 1 334.539 4.292 20 30 EIEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000610281353 1020965750 /nfs/dbraw/zinc/96/57/50/1020965750.db2.gz ZTIQTLYBQZQYOX-MAUKXSAKSA-N 1 1 340.496 4.127 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC2(c3ccccc3)COC2)cc1 ZINC001167301340 1020978551 /nfs/dbraw/zinc/97/85/51/1020978551.db2.gz AIBIFLASWYOXGS-QFIPXVFZSA-N 1 1 348.490 4.390 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000261475198 1021034023 /nfs/dbraw/zinc/03/40/23/1021034023.db2.gz KOAFQMXMHRVBNP-QGZVFWFLSA-N 1 1 339.464 4.094 20 30 EIEDMO N#CCC1(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC001167318154 1021069813 /nfs/dbraw/zinc/06/98/13/1021069813.db2.gz DGUPJIKGVYSQTK-UHFFFAOYSA-N 1 1 326.440 4.244 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001167331965 1021185435 /nfs/dbraw/zinc/18/54/35/1021185435.db2.gz DSIZQAHSDGWDJD-OAQYLSRUSA-N 1 1 334.463 4.282 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337346 1021253351 /nfs/dbraw/zinc/25/33/51/1021253351.db2.gz NRWHGQKWAVUCOF-JOCHJYFZSA-N 1 1 334.463 4.079 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000340555776 1021389853 /nfs/dbraw/zinc/38/98/53/1021389853.db2.gz XNLNUYUCAGUHEJ-OAQYLSRUSA-N 1 1 347.462 4.079 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3ccccc3n2CCC)cc1 ZINC000512522400 1032981966 /nfs/dbraw/zinc/98/19/66/1032981966.db2.gz SYPGJCJPIIKKMO-UHFFFAOYSA-N 1 1 335.451 4.301 20 30 EIEDMO C[C@H](CNc1ccc(Cl)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000511394126 1021493613 /nfs/dbraw/zinc/49/36/13/1021493613.db2.gz AXFXVJDXVNFPIT-CQSZACIVSA-N 1 1 325.843 4.070 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236038095 1021610735 /nfs/dbraw/zinc/61/07/35/1021610735.db2.gz WAHHZURRNVRURZ-UHFFFAOYSA-N 1 1 339.458 4.101 20 30 EIEDMO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(F)(F)F)cs1 ZINC000177708386 1021628495 /nfs/dbraw/zinc/62/84/95/1021628495.db2.gz SQDUMPBPIWURTI-JTQLQIEISA-N 1 1 331.388 4.336 20 30 EIEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000548987974 1021709907 /nfs/dbraw/zinc/70/99/07/1021709907.db2.gz XELUQGQRWUNSJR-AWEZNQCLSA-N 1 1 342.874 4.211 20 30 EIEDMO C=CCC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1 ZINC000414080655 1021812944 /nfs/dbraw/zinc/81/29/44/1021812944.db2.gz AMOQIIYJAWNNPA-UKRRQHHQSA-N 1 1 330.453 4.288 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187792983 1022178689 /nfs/dbraw/zinc/17/86/89/1022178689.db2.gz XMWOQIYDYFDZMU-IBGZPJMESA-N 1 1 330.378 4.330 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OC)s1)c1ccc(F)c(F)c1 ZINC000187794163 1022391000 /nfs/dbraw/zinc/39/10/00/1022391000.db2.gz VJTUONBLQPQXIS-INIZCTEOSA-N 1 1 337.391 4.220 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCSC1 ZINC000472580383 1022474325 /nfs/dbraw/zinc/47/43/25/1022474325.db2.gz KFRKYELUYFFBKM-FQEVSTJZSA-N 1 1 336.504 4.324 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCSC1 ZINC000472580384 1022474839 /nfs/dbraw/zinc/47/48/39/1022474839.db2.gz KFRKYELUYFFBKM-HXUWFJFHSA-N 1 1 336.504 4.324 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000561332741 1022898708 /nfs/dbraw/zinc/89/87/08/1022898708.db2.gz KANUWABGHPAAKI-JOCHJYFZSA-N 1 1 345.490 4.285 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000561332741 1022898709 /nfs/dbraw/zinc/89/87/09/1022898709.db2.gz KANUWABGHPAAKI-JOCHJYFZSA-N 1 1 345.490 4.285 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000340945925 1023146519 /nfs/dbraw/zinc/14/65/19/1023146519.db2.gz DPYFHLUKZCCTTD-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C[C@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CCCSCC#N ZINC000364034566 1023164871 /nfs/dbraw/zinc/16/48/71/1023164871.db2.gz ODSSWJPURZLPOB-MRXNPFEDSA-N 1 1 325.481 4.388 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376739064 1023275997 /nfs/dbraw/zinc/27/59/97/1023275997.db2.gz WLDFABGHSSXRKP-OAHLLOKOSA-N 1 1 325.843 4.353 20 30 EIEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccncc2)c2cc(F)ccc2F)C1 ZINC000376955494 1023340562 /nfs/dbraw/zinc/34/05/62/1023340562.db2.gz OJFTZTKPLKLWFN-NRXGSXMXSA-N 1 1 327.378 4.121 20 30 EIEDMO COc1cccc(C2(F)CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000500167195 1023561755 /nfs/dbraw/zinc/56/17/55/1023561755.db2.gz QTDNQFZWDHSVFD-UHFFFAOYSA-N 1 1 342.389 4.167 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nccc(-c2ccccc2)c1C#N ZINC001167748251 1023563860 /nfs/dbraw/zinc/56/38/60/1023563860.db2.gz FWXZCMHFSOVNHH-QGZVFWFLSA-N 1 1 334.467 4.297 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000477307352 1023574993 /nfs/dbraw/zinc/57/49/93/1023574993.db2.gz WVDAZZDJFZWHBZ-HNNXBMFYSA-N 1 1 343.496 4.348 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(Br)cc1 ZINC000471699592 1023703514 /nfs/dbraw/zinc/70/35/14/1023703514.db2.gz AJFISRDKCMHIBG-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@H+]2CCCCC#N)CCC1 ZINC000933502636 1023766781 /nfs/dbraw/zinc/76/67/81/1023766781.db2.gz SBDCDWCDFOQPRB-KRWDZBQOSA-N 1 1 349.519 4.230 20 30 EIEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281786 1023800298 /nfs/dbraw/zinc/80/02/98/1023800298.db2.gz FVGFICUZCWZRQR-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281786 1023800304 /nfs/dbraw/zinc/80/03/04/1023800304.db2.gz FVGFICUZCWZRQR-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281786 1023800308 /nfs/dbraw/zinc/80/03/08/1023800308.db2.gz FVGFICUZCWZRQR-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000109813190 1023847176 /nfs/dbraw/zinc/84/71/76/1023847176.db2.gz JJHGLNWEOBBDSE-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000109813190 1023847181 /nfs/dbraw/zinc/84/71/81/1023847181.db2.gz JJHGLNWEOBBDSE-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc(F)c(F)c1 ZINC000631112578 1023848338 /nfs/dbraw/zinc/84/83/38/1023848338.db2.gz ANSOSOBTYSANQW-LJQANCHMSA-N 1 1 331.410 4.368 20 30 EIEDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341584897 1023892965 /nfs/dbraw/zinc/89/29/65/1023892965.db2.gz MKXAEIAVSKIPBE-GFCCVEGCSA-N 1 1 347.871 4.041 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341584897 1023892966 /nfs/dbraw/zinc/89/29/66/1023892966.db2.gz MKXAEIAVSKIPBE-GFCCVEGCSA-N 1 1 347.871 4.041 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000093863711 1023901985 /nfs/dbraw/zinc/90/19/85/1023901985.db2.gz CEXFNHAGEXKIOX-KRWDZBQOSA-N 1 1 345.874 4.148 20 30 EIEDMO CCc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000430750521 1024008541 /nfs/dbraw/zinc/00/85/41/1024008541.db2.gz OOFHIEZCXHPQRL-GOSISDBHSA-N 1 1 339.395 4.123 20 30 EIEDMO CCc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000430750523 1024010237 /nfs/dbraw/zinc/01/02/37/1024010237.db2.gz OOFHIEZCXHPQRL-SFHVURJKSA-N 1 1 339.395 4.123 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380602 1024080078 /nfs/dbraw/zinc/08/00/78/1024080078.db2.gz OWZHPXRFEZBVIP-GXTWGEPZSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380602 1024080099 /nfs/dbraw/zinc/08/00/99/1024080099.db2.gz OWZHPXRFEZBVIP-GXTWGEPZSA-N 1 1 331.485 4.363 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379097 1024082555 /nfs/dbraw/zinc/08/25/55/1024082555.db2.gz STGFPZBFJZFPDL-ZIAGYGMSSA-N 1 1 340.389 4.321 20 30 EIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)c1C ZINC001167493537 1024337908 /nfs/dbraw/zinc/33/79/08/1024337908.db2.gz ZNOLYDNWXIWREQ-AZUAARDMSA-N 1 1 326.484 4.275 20 30 EIEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1cccs1 ZINC000510798848 1024492583 /nfs/dbraw/zinc/49/25/83/1024492583.db2.gz UEKOGMFTBLPYIT-UHFFFAOYSA-N 1 1 345.493 4.480 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610719297 1024716903 /nfs/dbraw/zinc/71/69/03/1024716903.db2.gz WHUJQMAEJYPFME-NQIIRXRSSA-N 1 1 338.426 4.297 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092709561 1024836409 /nfs/dbraw/zinc/83/64/09/1024836409.db2.gz QCCIKOYZCQEARK-PXNSSMCTSA-N 1 1 334.467 4.228 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079704 1024849313 /nfs/dbraw/zinc/84/93/13/1024849313.db2.gz LOTBVYGRJKVCOT-BMFZPTHFSA-N 1 1 327.403 4.428 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000662090937 1024856981 /nfs/dbraw/zinc/85/69/81/1024856981.db2.gz UKZYPYAKHPWHNA-BNOWGMLFSA-N 1 1 328.485 4.134 20 30 EIEDMO N#CCc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248851638 1024872626 /nfs/dbraw/zinc/87/26/26/1024872626.db2.gz BIPXFMNUOQYFDZ-KSEOMHKRSA-N 1 1 331.463 4.075 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000093872327 1024895898 /nfs/dbraw/zinc/89/58/98/1024895898.db2.gz KQJNHHLXFQERAR-NHCUHLMSSA-N 1 1 330.431 4.234 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000093872327 1024895901 /nfs/dbraw/zinc/89/59/01/1024895901.db2.gz KQJNHHLXFQERAR-NHCUHLMSSA-N 1 1 330.431 4.234 20 30 EIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710010 1025157558 /nfs/dbraw/zinc/15/75/58/1025157558.db2.gz ZYIPPDSSVYBYGI-DZGCQCFKSA-N 1 1 343.452 4.015 20 30 EIEDMO N#Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)ccn1 ZINC000610991761 1025224871 /nfs/dbraw/zinc/22/48/71/1025224871.db2.gz PDUJCGWQHLNEPW-JOCHJYFZSA-N 1 1 325.415 4.101 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)ccn1 ZINC000610993606 1025229901 /nfs/dbraw/zinc/22/99/01/1025229901.db2.gz VQYLNMISKGVKMD-UHFFFAOYSA-N 1 1 327.378 4.176 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)ccn1 ZINC000610993606 1025229917 /nfs/dbraw/zinc/22/99/17/1025229917.db2.gz VQYLNMISKGVKMD-UHFFFAOYSA-N 1 1 327.378 4.176 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473191070 1025295801 /nfs/dbraw/zinc/29/58/01/1025295801.db2.gz WHXGBVVFRDGRNO-JKSUJKDBSA-N 1 1 345.430 4.122 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473191070 1025295815 /nfs/dbraw/zinc/29/58/15/1025295815.db2.gz WHXGBVVFRDGRNO-JKSUJKDBSA-N 1 1 345.430 4.122 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)cs2)[C@H](C)C2CC2)cc1 ZINC000506731134 1025518035 /nfs/dbraw/zinc/51/80/35/1025518035.db2.gz PSOXZYNMKJBXHL-CQSZACIVSA-N 1 1 326.465 4.429 20 30 EIEDMO Cc1cc(C#N)cc(C)c1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505452 1025544054 /nfs/dbraw/zinc/54/40/54/1025544054.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 1 1 347.506 4.129 20 30 EIEDMO Cc1cc(C#N)cc(C)c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505452 1025544075 /nfs/dbraw/zinc/54/40/75/1025544075.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 1 1 347.506 4.129 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167505452 1025544096 /nfs/dbraw/zinc/54/40/96/1025544096.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 1 1 347.506 4.129 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167505452 1025544115 /nfs/dbraw/zinc/54/41/15/1025544115.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 1 1 347.506 4.129 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426554840 1025568751 /nfs/dbraw/zinc/56/87/51/1025568751.db2.gz XHYACHOMXURXOL-OAHLLOKOSA-N 1 1 329.425 4.259 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426554840 1025568770 /nfs/dbraw/zinc/56/87/70/1025568770.db2.gz XHYACHOMXURXOL-OAHLLOKOSA-N 1 1 329.425 4.259 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068649 1025585815 /nfs/dbraw/zinc/58/58/15/1025585815.db2.gz DJZAYQQNIGGWQN-FUHIMQAGSA-N 1 1 330.903 4.029 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719523 1025801864 /nfs/dbraw/zinc/80/18/64/1025801864.db2.gz YQCDSSSWCLRCKS-KSSFIOAISA-N 1 1 345.899 4.345 20 30 EIEDMO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000512046064 1025842245 /nfs/dbraw/zinc/84/22/45/1025842245.db2.gz QFHHZAMYPLDMLP-UXBLZVDNSA-N 1 1 333.391 4.168 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H](O)c1ccc(C)cc1 ZINC001167516997 1025890387 /nfs/dbraw/zinc/89/03/87/1025890387.db2.gz MLHJGEGUAAEIFD-FQEVSTJZSA-N 1 1 327.855 4.055 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)o1 ZINC000467025102 1025904187 /nfs/dbraw/zinc/90/41/87/1025904187.db2.gz RDGHFFQRKNICTA-SFHVURJKSA-N 1 1 329.827 4.268 20 30 EIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)o1 ZINC000467025102 1025904197 /nfs/dbraw/zinc/90/41/97/1025904197.db2.gz RDGHFFQRKNICTA-SFHVURJKSA-N 1 1 329.827 4.268 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540275 1026001515 /nfs/dbraw/zinc/00/15/15/1026001515.db2.gz YDEWVGKERTUBIR-RBUKOAKNSA-N 1 1 330.447 4.257 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551449627 1026187393 /nfs/dbraw/zinc/18/73/93/1026187393.db2.gz YDNJSQMDYCGMSA-NRFANRHFSA-N 1 1 336.410 4.168 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551449627 1026187402 /nfs/dbraw/zinc/18/74/02/1026187402.db2.gz YDNJSQMDYCGMSA-NRFANRHFSA-N 1 1 336.410 4.168 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccc(Cl)cc21 ZINC000512177546 1026239430 /nfs/dbraw/zinc/23/94/30/1026239430.db2.gz FCHDIMQUYGVTQA-IBGZPJMESA-N 1 1 331.843 4.491 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000892202898 1026239836 /nfs/dbraw/zinc/23/98/36/1026239836.db2.gz VDTLYDNRRRLOOP-FPOVZHCZSA-N 1 1 336.483 4.353 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000892202898 1026239849 /nfs/dbraw/zinc/23/98/49/1026239849.db2.gz VDTLYDNRRRLOOP-FPOVZHCZSA-N 1 1 336.483 4.353 20 30 EIEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1CCCCC#N ZINC000582145382 1026252455 /nfs/dbraw/zinc/25/24/55/1026252455.db2.gz DUJUULJERIQARF-GASCZTMLSA-N 1 1 339.405 4.298 20 30 EIEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557722 1026287788 /nfs/dbraw/zinc/28/77/88/1026287788.db2.gz GNFXZUGPBLPWFH-WOJBJXKFSA-N 1 1 342.389 4.189 20 30 EIEDMO CCCCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C(C)C ZINC000279407753 1026415545 /nfs/dbraw/zinc/41/55/45/1026415545.db2.gz NJTRKMKMSQVDMK-UHFFFAOYSA-N 1 1 339.487 4.259 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC3(C2)CCCCC3)c(-c2ccncc2)n1 ZINC000279505245 1026470142 /nfs/dbraw/zinc/47/01/42/1026470142.db2.gz ZTTFJSSKSFDUBZ-UHFFFAOYSA-N 1 1 349.482 4.015 20 30 EIEDMO N#Cc1ccc(C2=CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000342545774 1026613925 /nfs/dbraw/zinc/61/39/25/1026613925.db2.gz OJNKRJIVLAGZQB-UHFFFAOYSA-N 1 1 340.224 4.009 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000507123216 1026652513 /nfs/dbraw/zinc/65/25/13/1026652513.db2.gz XJNLVNICJKOLJP-UHFFFAOYSA-N 1 1 338.842 4.270 20 30 EIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1OC ZINC000507170676 1026684870 /nfs/dbraw/zinc/68/48/70/1026684870.db2.gz PSNXEVORBBYDFP-UHFFFAOYSA-N 1 1 338.451 4.376 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112702889 1026691752 /nfs/dbraw/zinc/69/17/52/1026691752.db2.gz RUOIEUPHUXSUSQ-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112702889 1026691762 /nfs/dbraw/zinc/69/17/62/1026691762.db2.gz RUOIEUPHUXSUSQ-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)CC)cc1OC ZINC000507189437 1026694606 /nfs/dbraw/zinc/69/46/06/1026694606.db2.gz VCSHVNKXJCVKNL-LBPRGKRZSA-N 1 1 342.277 4.253 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@@H]2CCc3ccc(-c4ccccc4)cc32)nn1 ZINC000657441420 1026696251 /nfs/dbraw/zinc/69/62/51/1026696251.db2.gz XUHGGKNGXXCGHI-JOCHJYFZSA-N 1 1 344.462 4.298 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1nccs1 ZINC000119877732 1026714297 /nfs/dbraw/zinc/71/42/97/1026714297.db2.gz XMTZNPWIQXLWQJ-OAHLLOKOSA-N 1 1 345.468 4.075 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507320075 1026743533 /nfs/dbraw/zinc/74/35/33/1026743533.db2.gz RTMHBFWCUDPNSV-UHFFFAOYSA-N 1 1 344.462 4.371 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CC(C)C)c1 ZINC000500461292 1026771657 /nfs/dbraw/zinc/77/16/57/1026771657.db2.gz WPAUBDLOSOPGBE-IBGZPJMESA-N 1 1 341.499 4.061 20 30 EIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135118006 1026776199 /nfs/dbraw/zinc/77/61/99/1026776199.db2.gz VJXKMZSKECPQRY-CMJOXMDJSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135118006 1026776215 /nfs/dbraw/zinc/77/62/15/1026776215.db2.gz VJXKMZSKECPQRY-CMJOXMDJSA-N 1 1 345.895 4.122 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000582689352 1026939622 /nfs/dbraw/zinc/93/96/22/1026939622.db2.gz NNULAOWCBHUQTP-NRFANRHFSA-N 1 1 344.462 4.367 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000582689352 1026939632 /nfs/dbraw/zinc/93/96/32/1026939632.db2.gz NNULAOWCBHUQTP-NRFANRHFSA-N 1 1 344.462 4.367 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000342761981 1026961719 /nfs/dbraw/zinc/96/17/19/1026961719.db2.gz WIGNTDARDWCTCE-UHFFFAOYSA-N 1 1 330.501 4.300 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000342761981 1026961730 /nfs/dbraw/zinc/96/17/30/1026961730.db2.gz WIGNTDARDWCTCE-UHFFFAOYSA-N 1 1 330.501 4.300 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)c(F)c1 ZINC000440624185 1026988343 /nfs/dbraw/zinc/98/83/43/1026988343.db2.gz YJWWTBXFPKFOTI-IBGZPJMESA-N 1 1 328.362 4.252 20 30 EIEDMO C[NH+](C)CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796154 1026993759 /nfs/dbraw/zinc/99/37/59/1026993759.db2.gz YJNRAHHRTPQSHK-MRXNPFEDSA-N 1 1 341.421 4.033 20 30 EIEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC000519906025 1027039554 /nfs/dbraw/zinc/03/95/54/1027039554.db2.gz BUHXSFMCBSQCTI-OAQYLSRUSA-N 1 1 349.478 4.038 20 30 EIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(C(F)(F)F)c1 ZINC000520042007 1027147558 /nfs/dbraw/zinc/14/75/58/1027147558.db2.gz CRZZITLPQDMXCS-UHFFFAOYSA-N 1 1 343.352 4.462 20 30 EIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(C(F)(F)F)c1 ZINC000520042007 1027147578 /nfs/dbraw/zinc/14/75/78/1027147578.db2.gz CRZZITLPQDMXCS-UHFFFAOYSA-N 1 1 343.352 4.462 20 30 EIEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000441051052 1027217760 /nfs/dbraw/zinc/21/77/60/1027217760.db2.gz PVVBKCKQIQUJGZ-KKSFZXQISA-N 1 1 334.463 4.312 20 30 EIEDMO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745621 1027224118 /nfs/dbraw/zinc/22/41/18/1027224118.db2.gz RRWSUBDIQYAGIS-HTAPYJJXSA-N 1 1 333.479 4.360 20 30 EIEDMO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745621 1027224127 /nfs/dbraw/zinc/22/41/27/1027224127.db2.gz RRWSUBDIQYAGIS-HTAPYJJXSA-N 1 1 333.479 4.360 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000237483600 1027238019 /nfs/dbraw/zinc/23/80/19/1027238019.db2.gz ZCPFMUFPUQCXID-IBGZPJMESA-N 1 1 348.490 4.014 20 30 EIEDMO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000188278578 1027258668 /nfs/dbraw/zinc/25/86/68/1027258668.db2.gz BNOQPNCDXZAULV-ZDUSSCGKSA-N 1 1 330.815 4.102 20 30 EIEDMO C=CC[N@H+](CCOc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000441284959 1027414339 /nfs/dbraw/zinc/41/43/39/1027414339.db2.gz LPICGDCTLANQLT-UHFFFAOYSA-N 1 1 338.476 4.347 20 30 EIEDMO CC1CC[NH+](CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000474709991 1027428428 /nfs/dbraw/zinc/42/84/28/1027428428.db2.gz YKSZEBGTNSBQAX-UHFFFAOYSA-N 1 1 349.434 4.021 20 30 EIEDMO C[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141893943 1027501260 /nfs/dbraw/zinc/50/12/60/1027501260.db2.gz DGXCSCQLTRBXFF-HNNXBMFYSA-N 1 1 325.225 4.035 20 30 EIEDMO C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141893943 1027501273 /nfs/dbraw/zinc/50/12/73/1027501273.db2.gz DGXCSCQLTRBXFF-HNNXBMFYSA-N 1 1 325.225 4.035 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)CCCC ZINC000475550996 1027589561 /nfs/dbraw/zinc/58/95/61/1027589561.db2.gz VNQMXPCVAOCZDZ-UHFFFAOYSA-N 1 1 331.504 4.392 20 30 EIEDMO C[N@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)c1F ZINC000223525085 1027616236 /nfs/dbraw/zinc/61/62/36/1027616236.db2.gz IQUGGQGDWISWLG-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)c1F ZINC000223525085 1027616261 /nfs/dbraw/zinc/61/62/61/1027616261.db2.gz IQUGGQGDWISWLG-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000329371614 1027755676 /nfs/dbraw/zinc/75/56/76/1027755676.db2.gz JASHPXPYIYHUQN-LPHOPBHVSA-N 1 1 338.455 4.275 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000329387870 1027759461 /nfs/dbraw/zinc/75/94/61/1027759461.db2.gz RDFWNEQRLNRJCR-DJIMGWMZSA-N 1 1 332.492 4.413 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CCOCC1 ZINC000193081195 1027794092 /nfs/dbraw/zinc/79/40/92/1027794092.db2.gz GLVCZLYEIQOTSH-UHFFFAOYSA-N 1 1 348.490 4.245 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686333 1027796592 /nfs/dbraw/zinc/79/65/92/1027796592.db2.gz GFUWJOQTWLPIEW-LSDHHAIUSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686333 1027796606 /nfs/dbraw/zinc/79/66/06/1027796606.db2.gz GFUWJOQTWLPIEW-LSDHHAIUSA-N 1 1 346.862 4.159 20 30 EIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc2ccsc21 ZINC000328856848 1027820745 /nfs/dbraw/zinc/82/07/45/1027820745.db2.gz YAOLNKHLZLTKIC-HNNXBMFYSA-N 1 1 340.452 4.116 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)n1 ZINC000572926966 1027955069 /nfs/dbraw/zinc/95/50/69/1027955069.db2.gz WSLHSSBXWXJOBB-QGZVFWFLSA-N 1 1 325.481 4.250 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)n1 ZINC000572926966 1027955083 /nfs/dbraw/zinc/95/50/83/1027955083.db2.gz WSLHSSBXWXJOBB-QGZVFWFLSA-N 1 1 325.481 4.250 20 30 EIEDMO CO[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1C ZINC000444677136 1027963075 /nfs/dbraw/zinc/96/30/75/1027963075.db2.gz VTCVTLBVKSOGQP-UGKGYDQZSA-N 1 1 348.490 4.243 20 30 EIEDMO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000444684329 1027970376 /nfs/dbraw/zinc/97/03/76/1027970376.db2.gz JIBSAJBBHWUEPY-OAHLLOKOSA-N 1 1 326.444 4.031 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000507749838 1027980273 /nfs/dbraw/zinc/98/02/73/1027980273.db2.gz UUONQXDTIDIJIT-UHFFFAOYSA-N 1 1 338.451 4.234 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1(C)C ZINC000444784713 1028073180 /nfs/dbraw/zinc/07/31/80/1028073180.db2.gz WJJLEXMEMHTGOD-QGZVFWFLSA-N 1 1 336.439 4.175 20 30 EIEDMO C=C1CC(c2noc([C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)C1 ZINC000896881138 1028161259 /nfs/dbraw/zinc/16/12/59/1028161259.db2.gz AJYUZBOTOBEMTK-OAHLLOKOSA-N 1 1 338.455 4.477 20 30 EIEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000322974598 1028180647 /nfs/dbraw/zinc/18/06/47/1028180647.db2.gz SXCMMVQZVZDZMG-LBPRGKRZSA-N 1 1 327.815 4.021 20 30 EIEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523564941 1028236963 /nfs/dbraw/zinc/23/69/63/1028236963.db2.gz DTCVTDHSTAPCSE-HXUWFJFHSA-N 1 1 343.515 4.039 20 30 EIEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001167659874 1028259545 /nfs/dbraw/zinc/25/95/45/1028259545.db2.gz WFXYACSQYNHXAU-IAGOWNOFSA-N 1 1 338.289 4.263 20 30 EIEDMO C=CC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000523607649 1028260608 /nfs/dbraw/zinc/26/06/08/1028260608.db2.gz ODYVBEBGHJVIJC-UHFFFAOYSA-N 1 1 332.444 4.259 20 30 EIEDMO C=CCN(Cc1cccs1)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346144117 1028280531 /nfs/dbraw/zinc/28/05/31/1028280531.db2.gz QQLTYBNZZIYHNP-UHFFFAOYSA-N 1 1 347.553 4.159 20 30 EIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000330316976 1028411149 /nfs/dbraw/zinc/41/11/49/1028411149.db2.gz ZTNNSUPTDCGHFJ-GFCCVEGCSA-N 1 1 349.500 4.151 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000125985134 1028508676 /nfs/dbraw/zinc/50/86/76/1028508676.db2.gz UOJHVVZRFZOYFM-LJQANCHMSA-N 1 1 332.451 4.192 20 30 EIEDMO COc1cc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc(OC)c1 ZINC000330345004 1028605884 /nfs/dbraw/zinc/60/58/84/1028605884.db2.gz DPOZQWSGFGZEGX-GOSISDBHSA-N 1 1 332.444 4.089 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000281488388 1028646702 /nfs/dbraw/zinc/64/67/02/1028646702.db2.gz VWADJHOCSSMCBU-AWEZNQCLSA-N 1 1 346.272 4.072 20 30 EIEDMO COc1cc(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000440806120 1028736433 /nfs/dbraw/zinc/73/64/33/1028736433.db2.gz HGOAMFNDCWNNHC-KRWDZBQOSA-N 1 1 349.478 4.411 20 30 EIEDMO N#Cc1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000281819756 1028879592 /nfs/dbraw/zinc/87/95/92/1028879592.db2.gz HNOIUNKTNPTSON-HNNXBMFYSA-N 1 1 340.858 4.128 20 30 EIEDMO CC(C)[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445798752 1028916584 /nfs/dbraw/zinc/91/65/84/1028916584.db2.gz QVZRCIVIAQEODT-UHFFFAOYSA-N 1 1 344.462 4.214 20 30 EIEDMO C[C@H](C1CC1)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281924181 1028965385 /nfs/dbraw/zinc/96/53/85/1028965385.db2.gz HMTWJGZQQUCEHN-GOSISDBHSA-N 1 1 326.484 4.388 20 30 EIEDMO N#CC1(CCC[N@H+]2CC[C@@H](CSc3ccccc3)C2)CCOCC1 ZINC000281923538 1028965454 /nfs/dbraw/zinc/96/54/54/1028965454.db2.gz HJQSASQQTXYANH-GOSISDBHSA-N 1 1 344.524 4.201 20 30 EIEDMO C[C@@H]1SCC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837409 1028988371 /nfs/dbraw/zinc/98/83/71/1028988371.db2.gz YQJPLBBJSGMYIR-JXFKEZNVSA-N 1 1 338.476 4.116 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000340461228 1029138760 /nfs/dbraw/zinc/13/87/60/1029138760.db2.gz PSFDEDXEICDLNQ-LBPRGKRZSA-N 1 1 326.350 4.154 20 30 EIEDMO C[C@@H]1C[C@@H]([NH+]2CCC(CC#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053970 1029185142 /nfs/dbraw/zinc/18/51/42/1029185142.db2.gz QNYRKPUHKNUDGX-RMFSNUHRSA-N 1 1 325.500 4.054 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@@H]12 ZINC000524758842 1029207990 /nfs/dbraw/zinc/20/79/90/1029207990.db2.gz GYMTZRTWTYBBGX-FHLIZLRMSA-N 1 1 336.439 4.009 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058787 1029372237 /nfs/dbraw/zinc/37/22/37/1029372237.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 1 1 325.500 4.054 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000247640985 1029383956 /nfs/dbraw/zinc/38/39/56/1029383956.db2.gz VQFSTVZXIGDVMJ-ROUUACIJSA-N 1 1 341.499 4.124 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278553188 1029474795 /nfs/dbraw/zinc/47/47/95/1029474795.db2.gz ZMUCNIAUYXZLIL-INIZCTEOSA-N 1 1 342.395 4.106 20 30 EIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCCC12CCCC2 ZINC000329625121 1029536388 /nfs/dbraw/zinc/53/63/88/1029536388.db2.gz OLPAMWOTQVVILM-ROUUACIJSA-N 1 1 344.503 4.073 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000281996907 1029618535 /nfs/dbraw/zinc/61/85/35/1029618535.db2.gz NFURXHXEHCYAHG-LJQANCHMSA-N 1 1 330.447 4.453 20 30 EIEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000584136894 1029642313 /nfs/dbraw/zinc/64/23/13/1029642313.db2.gz VBLMGWGQTXQWCN-SGTLLEGYSA-N 1 1 332.806 4.389 20 30 EIEDMO Fc1ccc(C#CC[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000447042988 1029670130 /nfs/dbraw/zinc/67/01/30/1029670130.db2.gz VXTSMFVRCKUZBQ-UHFFFAOYSA-N 1 1 337.438 4.106 20 30 EIEDMO CC[C@H](C#N)Oc1cc(CNc2cc[nH+]cc2Cl)ccc1OC ZINC000301521263 1029749336 /nfs/dbraw/zinc/74/93/36/1029749336.db2.gz NNFCBRPGPOABGQ-CYBMUJFWSA-N 1 1 331.803 4.037 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000185230216 1030132226 /nfs/dbraw/zinc/13/22/26/1030132226.db2.gz QBKVZPIBDUOEML-VQIMIIECSA-N 1 1 338.451 4.238 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000450960605 1030138483 /nfs/dbraw/zinc/13/84/83/1030138483.db2.gz SAEVGBHMLINLBJ-SJBKTWHCSA-N 1 1 340.511 4.393 20 30 EIEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)c(C#N)c1C ZINC000128249489 1030146228 /nfs/dbraw/zinc/14/62/28/1030146228.db2.gz PLZMXAGTJANYGY-GFCCVEGCSA-N 1 1 345.830 4.053 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(Cl)c2)c(C#N)c1C ZINC000128249489 1030146241 /nfs/dbraw/zinc/14/62/41/1030146241.db2.gz PLZMXAGTJANYGY-GFCCVEGCSA-N 1 1 345.830 4.053 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000363535097 1030172157 /nfs/dbraw/zinc/17/21/57/1030172157.db2.gz GTZYZAXSCFEMIO-JOCHJYFZSA-N 1 1 346.405 4.112 20 30 EIEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000527077787 1030469904 /nfs/dbraw/zinc/46/99/04/1030469904.db2.gz GEZOQXYHMBGYRP-AWEZNQCLSA-N 1 1 337.261 4.144 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000399115875 1030748157 /nfs/dbraw/zinc/74/81/57/1030748157.db2.gz GBPQGROVZRYUNY-UHFFFAOYSA-N 1 1 329.241 4.147 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000451977022 1030815897 /nfs/dbraw/zinc/81/58/97/1030815897.db2.gz ZOKMMQKCXZKRQP-SFHVURJKSA-N 1 1 334.410 4.202 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452003794 1030818906 /nfs/dbraw/zinc/81/89/06/1030818906.db2.gz GNNRIYFCWREUJM-HUUCEWRRSA-N 1 1 345.512 4.140 20 30 EIEDMO COc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)cc1C#N ZINC000527746818 1030840127 /nfs/dbraw/zinc/84/01/27/1030840127.db2.gz XPXQBWURLCWBET-UHFFFAOYSA-N 1 1 337.448 4.201 20 30 EIEDMO C=CCCOCCCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452362851 1030995129 /nfs/dbraw/zinc/99/51/29/1030995129.db2.gz ZLCMRIZHJMAULO-UHFFFAOYSA-N 1 1 341.455 4.002 20 30 EIEDMO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000528029998 1031044303 /nfs/dbraw/zinc/04/43/03/1031044303.db2.gz UNOHYRAHULGAKY-MRXNPFEDSA-N 1 1 327.472 4.187 20 30 EIEDMO CC[N@@H+](Cc1ccccc1OCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000179464022 1031080055 /nfs/dbraw/zinc/08/00/55/1031080055.db2.gz UXDHFMDAZZKQFO-QGZVFWFLSA-N 1 1 338.451 4.167 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463174 1031080979 /nfs/dbraw/zinc/08/09/79/1031080979.db2.gz ZOCUVGUDEFGWEF-CYBMUJFWSA-N 1 1 330.863 4.091 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463174 1031080992 /nfs/dbraw/zinc/08/09/92/1031080992.db2.gz ZOCUVGUDEFGWEF-CYBMUJFWSA-N 1 1 330.863 4.091 20 30 EIEDMO CCC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000508609416 1031149019 /nfs/dbraw/zinc/14/90/19/1031149019.db2.gz QDFXAXRLZYNCDL-UHFFFAOYSA-N 1 1 336.464 4.422 20 30 EIEDMO CC(C)CC[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000532496518 1031238701 /nfs/dbraw/zinc/23/87/01/1031238701.db2.gz XWPFMZWBKJRBRT-UHFFFAOYSA-N 1 1 333.501 4.239 20 30 EIEDMO C=CC[NH+]1CCC(NCc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000531535394 1031339429 /nfs/dbraw/zinc/33/94/29/1031339429.db2.gz HNUPHEMPNVPUAG-UHFFFAOYSA-N 1 1 336.479 4.102 20 30 EIEDMO C[C@@H](C#N)C[N@H+](Cc1ccnc2c(Br)cccc12)C1CC1 ZINC000449033741 1031369048 /nfs/dbraw/zinc/36/90/48/1031369048.db2.gz APQNBTGCSCGZJW-LBPRGKRZSA-N 1 1 344.256 4.121 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccnc2c(Br)cccc12)C1CC1 ZINC000449033741 1031369063 /nfs/dbraw/zinc/36/90/63/1031369063.db2.gz APQNBTGCSCGZJW-LBPRGKRZSA-N 1 1 344.256 4.121 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000120000037 1031420701 /nfs/dbraw/zinc/42/07/01/1031420701.db2.gz GJTFFYIZNINYEI-LLVKDONJSA-N 1 1 331.407 4.281 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000612407172 1031492161 /nfs/dbraw/zinc/49/21/61/1031492161.db2.gz ZQYUVJRFELTHSJ-QGZVFWFLSA-N 1 1 348.372 4.017 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000612407172 1031492163 /nfs/dbraw/zinc/49/21/63/1031492163.db2.gz ZQYUVJRFELTHSJ-QGZVFWFLSA-N 1 1 348.372 4.017 20 30 EIEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190865 1031509005 /nfs/dbraw/zinc/50/90/05/1031509005.db2.gz WTQQJWUZFGTRRF-NHUPUQRLSA-N 1 1 339.527 4.205 20 30 EIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000449301079 1031608226 /nfs/dbraw/zinc/60/82/26/1031608226.db2.gz GMLHMXJTTUXRJH-KMFTYDHNSA-N 1 1 339.527 4.002 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000612585931 1031679083 /nfs/dbraw/zinc/67/90/83/1031679083.db2.gz YVIJYOOXUSPAPV-UHFFFAOYSA-N 1 1 336.464 4.240 20 30 EIEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCc1ccc(F)cc1 ZINC000612585825 1031679261 /nfs/dbraw/zinc/67/92/61/1031679261.db2.gz RNUKLWXBTWPQKH-UHFFFAOYSA-N 1 1 342.414 4.053 20 30 EIEDMO CCc1cccc2c(C3CC[NH+](C[C@H](C#N)CCC#N)CC3)c[nH]c21 ZINC000129049741 1031776070 /nfs/dbraw/zinc/77/60/70/1031776070.db2.gz CTJHCLCUSWFKPW-INIZCTEOSA-N 1 1 334.467 4.353 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000449517060 1031818381 /nfs/dbraw/zinc/81/83/81/1031818381.db2.gz ISNLFJIEYPKRLH-UXHICEINSA-N 1 1 327.468 4.033 20 30 EIEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000528774050 1031846373 /nfs/dbraw/zinc/84/63/73/1031846373.db2.gz PGKBYWRIQNLMHK-OAHLLOKOSA-N 1 1 338.455 4.256 20 30 EIEDMO N#CCc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000449697236 1031935955 /nfs/dbraw/zinc/93/59/55/1031935955.db2.gz LDDUJAHJDMBALN-KSEOMHKRSA-N 1 1 331.463 4.075 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088177 1032013599 /nfs/dbraw/zinc/01/35/99/1032013599.db2.gz FBXAXYMEBPLDKL-ZDUSSCGKSA-N 1 1 345.443 4.171 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453608324 1032043338 /nfs/dbraw/zinc/04/33/38/1032043338.db2.gz GQOUVWBFFVBPGZ-HNNXBMFYSA-N 1 1 336.277 4.311 20 30 EIEDMO C=C(C)C[N@H+](CCCc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512557524 1033339966 /nfs/dbraw/zinc/33/99/66/1033339966.db2.gz SUWMCFPTRSVGON-UHFFFAOYSA-N 1 1 341.499 4.484 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000429841475 1033394746 /nfs/dbraw/zinc/39/47/46/1033394746.db2.gz XJCCWLMMMYBGNP-KRWDZBQOSA-N 1 1 328.500 4.280 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000614160546 1033533410 /nfs/dbraw/zinc/53/34/10/1033533410.db2.gz AYNXFRVGCFOJCU-HXUWFJFHSA-N 1 1 338.451 4.262 20 30 EIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000614166725 1033549826 /nfs/dbraw/zinc/54/98/26/1033549826.db2.gz NDGTWKKLNNMCCZ-OAQYLSRUSA-N 1 1 334.463 4.234 20 30 EIEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166503 1033550254 /nfs/dbraw/zinc/55/02/54/1033550254.db2.gz MQQFJAZBPZHAMM-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184870 1033637155 /nfs/dbraw/zinc/63/71/55/1033637155.db2.gz BHMSIJBRFUYQBF-PKOBYXMFSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184870 1033637167 /nfs/dbraw/zinc/63/71/67/1033637167.db2.gz BHMSIJBRFUYQBF-PKOBYXMFSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184867 1033637490 /nfs/dbraw/zinc/63/74/90/1033637490.db2.gz BHMSIJBRFUYQBF-IEBWSBKVSA-N 1 1 339.527 4.230 20 30 EIEDMO C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184867 1033637505 /nfs/dbraw/zinc/63/75/05/1033637505.db2.gz BHMSIJBRFUYQBF-IEBWSBKVSA-N 1 1 339.527 4.230 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000433012368 1033651822 /nfs/dbraw/zinc/65/18/22/1033651822.db2.gz KDJLGGCYHPDZTL-GOSISDBHSA-N 1 1 332.407 4.261 20 30 EIEDMO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666055 1033662162 /nfs/dbraw/zinc/66/21/62/1033662162.db2.gz IJBWLFVHDMZQSX-IIBYNOLFSA-N 1 1 337.442 4.185 20 30 EIEDMO C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667023 1033667090 /nfs/dbraw/zinc/66/70/90/1033667090.db2.gz NPHKPTKPOGHIPH-IAGOWNOFSA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000433026705 1033675157 /nfs/dbraw/zinc/67/51/57/1033675157.db2.gz QONPRDMYWXAJRR-QGZVFWFLSA-N 1 1 334.467 4.228 20 30 EIEDMO CN(c1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1)C1CC1 ZINC000433035441 1033688831 /nfs/dbraw/zinc/68/88/31/1033688831.db2.gz MARWQKQRWHJMDC-SFHVURJKSA-N 1 1 340.496 4.266 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000614396881 1034537111 /nfs/dbraw/zinc/53/71/11/1034537111.db2.gz XGWPSPOQHRSXMQ-FGZHOGPDSA-N 1 1 334.463 4.466 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1Cl ZINC000430090582 1034576549 /nfs/dbraw/zinc/57/65/49/1034576549.db2.gz ODAUYYKZHZZBNZ-JKSUJKDBSA-N 1 1 327.802 4.382 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000729316530 1034780881 /nfs/dbraw/zinc/78/08/81/1034780881.db2.gz LRCVRALZUSZZNE-NHCUHLMSSA-N 1 1 347.462 4.155 20 30 EIEDMO COc1ccc(-c2cc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000614479712 1034859901 /nfs/dbraw/zinc/85/99/01/1034859901.db2.gz NXKZPWYTSLNICN-HNNXBMFYSA-N 1 1 347.418 4.415 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(Cl)c1 ZINC000513323034 1034877566 /nfs/dbraw/zinc/87/75/66/1034877566.db2.gz AOEGHZXPVUEZQB-UHFFFAOYSA-N 1 1 326.827 4.408 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@H](C)C#N ZINC000513406091 1034919772 /nfs/dbraw/zinc/91/97/72/1034919772.db2.gz MTSOPXZFFYLRBW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@H](C)C#N ZINC000513406091 1034919780 /nfs/dbraw/zinc/91/97/80/1034919780.db2.gz MTSOPXZFFYLRBW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000513412843 1034931911 /nfs/dbraw/zinc/93/19/11/1034931911.db2.gz DAXTZWPPKNHLJP-IBGZPJMESA-N 1 1 333.435 4.048 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000182518738 1034963675 /nfs/dbraw/zinc/96/36/75/1034963675.db2.gz GQKYHVVMVVKZPJ-NSHDSACASA-N 1 1 338.304 4.447 20 30 EIEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000664212320 1035066877 /nfs/dbraw/zinc/06/68/77/1035066877.db2.gz IJCIOZYQJJIMPP-RDJZCZTQSA-N 1 1 349.544 4.175 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000280126846 1035182624 /nfs/dbraw/zinc/18/26/24/1035182624.db2.gz CDJIONORUQUQGW-UHFFFAOYSA-N 1 1 347.462 4.466 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000280126846 1035182635 /nfs/dbraw/zinc/18/26/35/1035182635.db2.gz CDJIONORUQUQGW-UHFFFAOYSA-N 1 1 347.462 4.466 20 30 EIEDMO Cc1oc(C#N)cc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000280674364 1035319314 /nfs/dbraw/zinc/31/93/14/1035319314.db2.gz YSRJOVIYMQSTHG-UHFFFAOYSA-N 1 1 348.406 4.080 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CC(C)C)c1C ZINC000501098057 1035376582 /nfs/dbraw/zinc/37/65/82/1035376582.db2.gz CIRQFYOGZVITRR-IBGZPJMESA-N 1 1 341.499 4.061 20 30 EIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490548017 1035505636 /nfs/dbraw/zinc/50/56/36/1035505636.db2.gz ROSFWTHYXMYLCL-LJQANCHMSA-N 1 1 336.483 4.359 20 30 EIEDMO COc1c(Br)cccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982125 1035514236 /nfs/dbraw/zinc/51/42/36/1035514236.db2.gz ZOKXYGSXLPFPGN-UHFFFAOYSA-N 1 1 337.261 4.021 20 30 EIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594995758 1035522827 /nfs/dbraw/zinc/52/28/27/1035522827.db2.gz SHINTGLNAFAGDN-UHFFFAOYSA-N 1 1 340.446 4.192 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(N3CCCC3)c2)no1 ZINC000904709259 1035535669 /nfs/dbraw/zinc/53/56/69/1035535669.db2.gz VNKUDNNANPSBSJ-INIZCTEOSA-N 1 1 326.444 4.001 20 30 EIEDMO C=CCCSCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000595057727 1035535827 /nfs/dbraw/zinc/53/58/27/1035535827.db2.gz DERHRAFCBRIQAK-INIZCTEOSA-N 1 1 335.904 4.062 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595297765 1035627644 /nfs/dbraw/zinc/62/76/44/1035627644.db2.gz YDBQVMRMLPHAQJ-UHFFFAOYSA-N 1 1 330.435 4.160 20 30 EIEDMO C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342640 1035634694 /nfs/dbraw/zinc/63/46/94/1035634694.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCc1ccc(C#N)cc1 ZINC000595304872 1035640000 /nfs/dbraw/zinc/64/00/00/1035640000.db2.gz OSONQNLXXCUVEC-UHFFFAOYSA-N 1 1 344.462 4.055 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595433936 1035679764 /nfs/dbraw/zinc/67/97/64/1035679764.db2.gz XBKSQHVCFUREON-SFTDATJTSA-N 1 1 338.426 4.092 20 30 EIEDMO CCCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000595566554 1035696208 /nfs/dbraw/zinc/69/62/08/1035696208.db2.gz HDNDOZNWFMKFBW-GOSISDBHSA-N 1 1 339.508 4.217 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610974 1035748356 /nfs/dbraw/zinc/74/83/56/1035748356.db2.gz FHXBOAGSFNCSSQ-DLBZAZTESA-N 1 1 327.472 4.071 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610974 1035748379 /nfs/dbraw/zinc/74/83/79/1035748379.db2.gz FHXBOAGSFNCSSQ-DLBZAZTESA-N 1 1 327.472 4.071 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609182 1035749161 /nfs/dbraw/zinc/74/91/61/1035749161.db2.gz HQMJNMXPHVEPFJ-QGZVFWFLSA-N 1 1 333.435 4.065 20 30 EIEDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611089 1035749217 /nfs/dbraw/zinc/74/92/17/1035749217.db2.gz GQNHIRDHCDNMNS-STQMWFEESA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611089 1035749239 /nfs/dbraw/zinc/74/92/39/1035749239.db2.gz GQNHIRDHCDNMNS-STQMWFEESA-N 1 1 330.819 4.077 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610497 1035750816 /nfs/dbraw/zinc/75/08/16/1035750816.db2.gz ZTXAHPZBHIJNKG-LJQANCHMSA-N 1 1 334.463 4.418 20 30 EIEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1cccc2ccccc21 ZINC000595614396 1035752394 /nfs/dbraw/zinc/75/23/94/1035752394.db2.gz HJMZHALZFUXEJE-OKZBNKHCSA-N 1 1 349.478 4.031 20 30 EIEDMO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751948 1035784838 /nfs/dbraw/zinc/78/48/38/1035784838.db2.gz ZOPVEZMLKKNPQG-KRWDZBQOSA-N 1 1 349.261 4.225 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751948 1035784856 /nfs/dbraw/zinc/78/48/56/1035784856.db2.gz ZOPVEZMLKKNPQG-KRWDZBQOSA-N 1 1 349.261 4.225 20 30 EIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CC3CCC3)o2)cc1 ZINC000595870720 1035804811 /nfs/dbraw/zinc/80/48/11/1035804811.db2.gz JXMWASUYHUMVAS-GOSISDBHSA-N 1 1 336.439 4.153 20 30 EIEDMO CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000761192376 1036004613 /nfs/dbraw/zinc/00/46/13/1036004613.db2.gz MFIAVKZNGUWEPQ-OAHLLOKOSA-N 1 1 345.487 4.244 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000597011069 1036068769 /nfs/dbraw/zinc/06/87/69/1036068769.db2.gz TUJKXPYCWANCMC-JOCHJYFZSA-N 1 1 346.474 4.114 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000597011860 1036069259 /nfs/dbraw/zinc/06/92/59/1036069259.db2.gz GHJORUXPFBHDEI-ZCNNSNEGSA-N 1 1 338.495 4.267 20 30 EIEDMO C=CCc1cc(C[N@H+](CC)[C@@H](CC)c2ccncc2)c(O)c(OC)c1 ZINC000164400330 1036076326 /nfs/dbraw/zinc/07/63/26/1036076326.db2.gz GZOQTCYNNRAEJI-IBGZPJMESA-N 1 1 340.467 4.498 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015262 1036076963 /nfs/dbraw/zinc/07/69/63/1036076963.db2.gz TWHVSNXHDSZWEZ-SFHVURJKSA-N 1 1 332.447 4.240 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060464625 1036118263 /nfs/dbraw/zinc/11/82/63/1036118263.db2.gz VFLXTOZIULYSSM-MRXNPFEDSA-N 1 1 339.870 4.090 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000597175085 1036140817 /nfs/dbraw/zinc/14/08/17/1036140817.db2.gz VUPBEHKPQRPELG-MAUKXSAKSA-N 1 1 348.874 4.023 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000597175085 1036140834 /nfs/dbraw/zinc/14/08/34/1036140834.db2.gz VUPBEHKPQRPELG-MAUKXSAKSA-N 1 1 348.874 4.023 20 30 EIEDMO N#CCC1C[NH+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000597194745 1036141560 /nfs/dbraw/zinc/14/15/60/1036141560.db2.gz ZXRVCPJGZANTSB-UHFFFAOYSA-N 1 1 326.827 4.264 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173163 1036143080 /nfs/dbraw/zinc/14/30/80/1036143080.db2.gz GQDPZDJYJYUGNE-AWEZNQCLSA-N 1 1 348.372 4.017 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597174430 1036144260 /nfs/dbraw/zinc/14/42/60/1036144260.db2.gz QCOAETRVMNKAHZ-QGZVFWFLSA-N 1 1 330.435 4.151 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000597178196 1036146794 /nfs/dbraw/zinc/14/67/94/1036146794.db2.gz WGVLJINGOOXLBY-OAHLLOKOSA-N 1 1 325.387 4.139 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000597178196 1036146826 /nfs/dbraw/zinc/14/68/26/1036146826.db2.gz WGVLJINGOOXLBY-OAHLLOKOSA-N 1 1 325.387 4.139 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000597187197 1036151243 /nfs/dbraw/zinc/15/12/43/1036151243.db2.gz LZCBIHCAQKXFGX-QGZVFWFLSA-N 1 1 328.456 4.166 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000571732806 1036158912 /nfs/dbraw/zinc/15/89/12/1036158912.db2.gz FOXWPNRNGHLYEQ-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000597224371 1036170678 /nfs/dbraw/zinc/17/06/78/1036170678.db2.gz HESLHERGAYBKTG-PZJWPPBQSA-N 1 1 342.483 4.150 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000502430114 1036191384 /nfs/dbraw/zinc/19/13/84/1036191384.db2.gz GBPOYNFHCUDEKO-GOSISDBHSA-N 1 1 345.487 4.028 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CCCCC1 ZINC000601755479 1036230047 /nfs/dbraw/zinc/23/00/47/1036230047.db2.gz GIURDSRBEISLND-UHFFFAOYSA-N 1 1 330.501 4.112 20 30 EIEDMO C[NH+](C)Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1Cl ZINC000597596369 1036288350 /nfs/dbraw/zinc/28/83/50/1036288350.db2.gz CPKCMZQRKRTPRI-UHFFFAOYSA-N 1 1 333.863 4.204 20 30 EIEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555262 1036344249 /nfs/dbraw/zinc/34/42/49/1036344249.db2.gz WATFJFOIEGYJSR-HNNXBMFYSA-N 1 1 333.391 4.317 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](C)CCC#N ZINC000602428979 1036444177 /nfs/dbraw/zinc/44/41/77/1036444177.db2.gz AUKOXUDFZCKHQF-GFCCVEGCSA-N 1 1 342.270 4.194 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000602456616 1036455027 /nfs/dbraw/zinc/45/50/27/1036455027.db2.gz AWSGLNYWYJMZJQ-KRWDZBQOSA-N 1 1 325.431 4.205 20 30 EIEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)CC1(C#N)CCOCC1 ZINC000602492279 1036465959 /nfs/dbraw/zinc/46/59/59/1036465959.db2.gz FVKJHVKUBRNHEF-QGZVFWFLSA-N 1 1 327.472 4.106 20 30 EIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC(C)(C)C1 ZINC000414529012 1036472061 /nfs/dbraw/zinc/47/20/61/1036472061.db2.gz BXMWRWBNCXNXMN-UHFFFAOYSA-N 1 1 336.483 4.474 20 30 EIEDMO C[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC000602977408 1036684245 /nfs/dbraw/zinc/68/42/45/1036684245.db2.gz ATJZOXKIGCRFMA-CJNGLKHVSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC000602977408 1036684259 /nfs/dbraw/zinc/68/42/59/1036684259.db2.gz ATJZOXKIGCRFMA-CJNGLKHVSA-N 1 1 344.256 4.121 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907676553 1036691574 /nfs/dbraw/zinc/69/15/74/1036691574.db2.gz KKGZGCUVPBCVPA-HKUYNNGSSA-N 1 1 326.484 4.494 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000598592003 1036709910 /nfs/dbraw/zinc/70/99/10/1036709910.db2.gz DOCFSPWYHSZMSV-NHCUHLMSSA-N 1 1 334.463 4.087 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000589279335 1036729376 /nfs/dbraw/zinc/72/93/76/1036729376.db2.gz MXKVPEZHVDCSIN-OAQYLSRUSA-N 1 1 345.490 4.125 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000598676377 1036749342 /nfs/dbraw/zinc/74/93/42/1036749342.db2.gz POCGSTSPWGGUFD-SFHVURJKSA-N 1 1 344.462 4.190 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000598676377 1036749362 /nfs/dbraw/zinc/74/93/62/1036749362.db2.gz POCGSTSPWGGUFD-SFHVURJKSA-N 1 1 344.462 4.190 20 30 EIEDMO Cc1cc(NCc2ccc(C#N)s2)c[nH+]c1N1CCCC[C@@H]1C ZINC000502869374 1036752531 /nfs/dbraw/zinc/75/25/31/1036752531.db2.gz DPEVQUSLXOKICG-AWEZNQCLSA-N 1 1 326.469 4.314 20 30 EIEDMO C=CCOc1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000056642493 1036769277 /nfs/dbraw/zinc/76/92/77/1036769277.db2.gz SFSLHODKGZYJCA-KRWDZBQOSA-N 1 1 345.487 4.028 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)Cc2ncccc2O)cc1 ZINC000572645499 1036804614 /nfs/dbraw/zinc/80/46/14/1036804614.db2.gz SOSIZHOICPUUJB-UHFFFAOYSA-N 1 1 347.393 4.000 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)Cc2ncccc2O)cc1 ZINC000572645499 1036804617 /nfs/dbraw/zinc/80/46/17/1036804617.db2.gz SOSIZHOICPUUJB-UHFFFAOYSA-N 1 1 347.393 4.000 20 30 EIEDMO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)ncc1Br ZINC000598969732 1036829550 /nfs/dbraw/zinc/82/95/50/1036829550.db2.gz HDVRATJSRDCHFR-QGZVFWFLSA-N 1 1 344.256 4.287 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc2ccccc2n1C(F)F ZINC000603423084 1036830638 /nfs/dbraw/zinc/83/06/38/1036830638.db2.gz KZVCWGZCIGGOOE-JTQLQIEISA-N 1 1 332.379 4.215 20 30 EIEDMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973449 1036837536 /nfs/dbraw/zinc/83/75/36/1036837536.db2.gz ITFRWSNOJIBYFG-FQEVSTJZSA-N 1 1 333.479 4.188 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]Cc2nsc3ccccc23)c1 ZINC000603427680 1036837940 /nfs/dbraw/zinc/83/79/40/1036837940.db2.gz DAWKGTVFJZBBKP-UHFFFAOYSA-N 1 1 337.448 4.269 20 30 EIEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000486798427 1036858329 /nfs/dbraw/zinc/85/83/29/1036858329.db2.gz NOKOYVKZLXZZRT-INIZCTEOSA-N 1 1 345.512 4.285 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000486815159 1036863070 /nfs/dbraw/zinc/86/30/70/1036863070.db2.gz XNAJFDCPOKCYQW-UHFFFAOYSA-N 1 1 326.390 4.324 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000486815159 1036863071 /nfs/dbraw/zinc/86/30/71/1036863071.db2.gz XNAJFDCPOKCYQW-UHFFFAOYSA-N 1 1 326.390 4.324 20 30 EIEDMO C[C@H]1C[C@@H]1c1ccc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593688330 1036886706 /nfs/dbraw/zinc/88/67/06/1036886706.db2.gz OOULUXPNCBJCFB-KKSFZXQISA-N 1 1 349.478 4.029 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCC(C)C)C2CC2)c1 ZINC000061187175 1036912980 /nfs/dbraw/zinc/91/29/80/1036912980.db2.gz CPGIFXYEZBTIBN-UHFFFAOYSA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000589984939 1036922147 /nfs/dbraw/zinc/92/21/47/1036922147.db2.gz LHXCWGWTBGLKIG-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000589984939 1036922169 /nfs/dbraw/zinc/92/21/69/1036922169.db2.gz LHXCWGWTBGLKIG-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000599313142 1036950550 /nfs/dbraw/zinc/95/05/50/1036950550.db2.gz FWNXEJSYLVJVBO-QGZVFWFLSA-N 1 1 331.419 4.388 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487089002 1036979227 /nfs/dbraw/zinc/97/92/27/1036979227.db2.gz RMYWGWIHHFSYEO-IBGZPJMESA-N 1 1 343.515 4.342 20 30 EIEDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000599526431 1037058776 /nfs/dbraw/zinc/05/87/76/1037058776.db2.gz LGJFJGTYJAYZGF-UHFFFAOYSA-N 1 1 348.494 4.134 20 30 EIEDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000599526431 1037058797 /nfs/dbraw/zinc/05/87/97/1037058797.db2.gz LGJFJGTYJAYZGF-UHFFFAOYSA-N 1 1 348.494 4.134 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000603868467 1037064103 /nfs/dbraw/zinc/06/41/03/1037064103.db2.gz OQZFFJXKTFOROE-IBGZPJMESA-N 1 1 345.446 4.027 20 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EIEDMO CCN(Cc1ccc(C#N)c(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488414701 1037583004 /nfs/dbraw/zinc/58/30/04/1037583004.db2.gz OEUXXYSYSBAWKA-JOCHJYFZSA-N 1 1 347.506 4.211 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488594928 1037684852 /nfs/dbraw/zinc/68/48/52/1037684852.db2.gz RVVDTENUUMXJFV-CQSZACIVSA-N 1 1 345.512 4.114 20 30 EIEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667069 1037706081 /nfs/dbraw/zinc/70/60/81/1037706081.db2.gz CUFJFDACYULDDT-IRXDYDNUSA-N 1 1 335.451 4.481 20 30 EIEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000488667069 1037706099 /nfs/dbraw/zinc/70/60/99/1037706099.db2.gz CUFJFDACYULDDT-IRXDYDNUSA-N 1 1 335.451 4.481 20 30 EIEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154027 1037738418 /nfs/dbraw/zinc/73/84/18/1037738418.db2.gz IIVLOKCLRCJOER-HXUWFJFHSA-N 1 1 327.516 4.301 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592145501 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EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461690 1038059715 /nfs/dbraw/zinc/05/97/15/1038059715.db2.gz WVEDUGUBHRRSIA-HNNXBMFYSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461690 1038059735 /nfs/dbraw/zinc/05/97/35/1038059735.db2.gz WVEDUGUBHRRSIA-HNNXBMFYSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489476487 1038069834 /nfs/dbraw/zinc/06/98/34/1038069834.db2.gz NGBUQTBKNQWKGB-AWEZNQCLSA-N 1 1 337.345 4.296 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489476487 1038069857 /nfs/dbraw/zinc/06/98/57/1038069857.db2.gz NGBUQTBKNQWKGB-AWEZNQCLSA-N 1 1 337.345 4.296 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000489545419 1038102251 /nfs/dbraw/zinc/10/22/51/1038102251.db2.gz FWYLDPVGPRMGRR-UHFFFAOYSA-N 1 1 326.390 4.291 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCC1 ZINC000593652951 1038120635 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C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)cc1F ZINC000046517875 1038298254 /nfs/dbraw/zinc/29/82/54/1038298254.db2.gz CDYCPKSLFWFRKX-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(C)CCCC1 ZINC000490118238 1038350143 /nfs/dbraw/zinc/35/01/43/1038350143.db2.gz HJCYKDTUBNOZGN-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000059375190 1038497154 /nfs/dbraw/zinc/49/71/54/1038497154.db2.gz UJIXQHSWKXWXDA-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063751283 1038814886 /nfs/dbraw/zinc/81/48/86/1038814886.db2.gz HIGBINBTVMRASE-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063751283 1038814887 /nfs/dbraw/zinc/81/48/87/1038814887.db2.gz HIGBINBTVMRASE-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128992 1038857176 /nfs/dbraw/zinc/85/71/76/1038857176.db2.gz 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C=CC[C@@H](C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)c1ccccc1 ZINC000899508813 1039227181 /nfs/dbraw/zinc/22/71/81/1039227181.db2.gz FRSNNHCASYBBCT-LJQANCHMSA-N 1 1 337.467 4.092 20 30 EIEDMO N#Cc1cc(F)ccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534243548 1039239388 /nfs/dbraw/zinc/23/93/88/1039239388.db2.gz CFSZWEOGCVBMEP-UHFFFAOYSA-N 1 1 349.453 4.190 20 30 EIEDMO COc1ccc(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1C#N ZINC000481333824 1039324125 /nfs/dbraw/zinc/32/41/25/1039324125.db2.gz AAZVUMDFJVQCDN-FQEVSTJZSA-N 1 1 349.478 4.497 20 30 EIEDMO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC000092504637 1039561419 /nfs/dbraw/zinc/56/14/19/1039561419.db2.gz VPUJOLPYSNZEIX-UHFFFAOYSA-N 1 1 346.459 4.265 20 30 EIEDMO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC000092504637 1039561446 /nfs/dbraw/zinc/56/14/46/1039561446.db2.gz VPUJOLPYSNZEIX-UHFFFAOYSA-N 1 1 346.459 4.265 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000534622617 1039616377 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C=CCCCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534856509 1039815661 /nfs/dbraw/zinc/81/56/61/1039815661.db2.gz OIJVLMPXPPSVDD-UHFFFAOYSA-N 1 1 329.400 4.428 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCC(C)(C)C#N ZINC000481831821 1039851674 /nfs/dbraw/zinc/85/16/74/1039851674.db2.gz NHKPSEKWEQMHSE-ZACQAIPSSA-N 1 1 334.504 4.291 20 30 EIEDMO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1)c1ccccc1 ZINC000505501229 1039853194 /nfs/dbraw/zinc/85/31/94/1039853194.db2.gz ZRKZGQDTZBYTQU-SIKLNZKXSA-N 1 1 348.490 4.082 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc1OC ZINC000535067342 1039929177 /nfs/dbraw/zinc/92/91/77/1039929177.db2.gz NSABMUJMIOGVOK-LJQANCHMSA-N 1 1 338.451 4.382 20 30 EIEDMO C=CCC(C)(C)c1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000551138235 1040013232 /nfs/dbraw/zinc/01/32/32/1040013232.db2.gz OJXFEAYBPHHTLT-UHFFFAOYSA-N 1 1 345.353 4.109 20 30 EIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000478953884 1040039801 /nfs/dbraw/zinc/03/98/01/1040039801.db2.gz CZVHDZNAUJDRJV-AWEZNQCLSA-N 1 1 333.353 4.456 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801701 1040247743 /nfs/dbraw/zinc/24/77/43/1040247743.db2.gz YIVPHMANSIRVFF-ZIAGYGMSSA-N 1 1 338.282 4.198 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000482500422 1040297900 /nfs/dbraw/zinc/29/79/00/1040297900.db2.gz AMZVIAPYYSVOPB-JQFCIGGWSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000482500422 1040297916 /nfs/dbraw/zinc/29/79/16/1040297916.db2.gz AMZVIAPYYSVOPB-JQFCIGGWSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000482500429 1040299264 /nfs/dbraw/zinc/29/92/64/1040299264.db2.gz AMZVIAPYYSVOPB-XKQJLSEDSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000482500429 1040299274 /nfs/dbraw/zinc/29/92/74/1040299274.db2.gz AMZVIAPYYSVOPB-XKQJLSEDSA-N 1 1 346.496 4.095 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000425366171 1040341149 /nfs/dbraw/zinc/34/11/49/1040341149.db2.gz OMCGKSATOHOHDC-ZIAGYGMSSA-N 1 1 325.481 4.333 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000425366171 1040341165 /nfs/dbraw/zinc/34/11/65/1040341165.db2.gz OMCGKSATOHOHDC-ZIAGYGMSSA-N 1 1 325.481 4.333 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619972 1040389544 /nfs/dbraw/zinc/38/95/44/1040389544.db2.gz NPCRRKXAEPHYHI-HXUWFJFHSA-N 1 1 328.500 4.147 20 30 EIEDMO C=CCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000479537786 1040443126 /nfs/dbraw/zinc/44/31/26/1040443126.db2.gz GZHZWDCPUCUDTH-UHFFFAOYSA-N 1 1 348.490 4.277 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000539467193 1040460825 /nfs/dbraw/zinc/46/08/25/1040460825.db2.gz VOIPUUVBWNGNNU-GBESFXJTSA-N 1 1 335.536 4.027 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Br)cn1 ZINC000479555103 1040465118 /nfs/dbraw/zinc/46/51/18/1040465118.db2.gz MYBDUPJDCGNMRE-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO CC#CCC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000462334363 1040487467 /nfs/dbraw/zinc/48/74/67/1040487467.db2.gz JJSRQAXAMHBEDE-QGZVFWFLSA-N 1 1 329.488 4.175 20 30 EIEDMO C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(C#N)c(F)c1 ZINC000553768900 1040501135 /nfs/dbraw/zinc/50/11/35/1040501135.db2.gz BDZARABFZZVFDX-SECBINFHSA-N 1 1 339.233 4.372 20 30 EIEDMO Cc1ccccc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000160517754 1040578010 /nfs/dbraw/zinc/57/80/10/1040578010.db2.gz ORDZMQGFDAOTPE-UHFFFAOYSA-N 1 1 344.462 4.404 20 30 EIEDMO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(F)c(C#N)c1 ZINC000160552753 1040591327 /nfs/dbraw/zinc/59/13/27/1040591327.db2.gz VSDBQPAQUXNGHE-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(F)c(C#N)c1 ZINC000160552753 1040591334 /nfs/dbraw/zinc/59/13/34/1040591334.db2.gz VSDBQPAQUXNGHE-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000428791331 1040636989 /nfs/dbraw/zinc/63/69/89/1040636989.db2.gz ZORXFGNLACQJEI-XJKSGUPXSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(C)(C)C#N ZINC000428791331 1040637005 /nfs/dbraw/zinc/63/70/05/1040637005.db2.gz ZORXFGNLACQJEI-XJKSGUPXSA-N 1 1 340.389 4.407 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483165316 1040751499 /nfs/dbraw/zinc/75/14/99/1040751499.db2.gz BXASVJCAYYTLIU-KRWDZBQOSA-N 1 1 336.483 4.381 20 30 EIEDMO Cn1cc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1C#N ZINC000483258313 1040795354 /nfs/dbraw/zinc/79/53/54/1040795354.db2.gz AYKKXKSRPQOWOL-QFIPXVFZSA-N 1 1 327.431 4.044 20 30 EIEDMO CC(C)(C#N)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000903100003 1040900820 /nfs/dbraw/zinc/90/08/20/1040900820.db2.gz FOIDYAKPCJKMQQ-LBPRGKRZSA-N 1 1 325.275 4.125 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1F ZINC000903148937 1040937684 /nfs/dbraw/zinc/93/76/84/1040937684.db2.gz YGKBECOIBDQQBK-UONOGXRCSA-N 1 1 326.419 4.106 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000505781310 1041012267 /nfs/dbraw/zinc/01/22/67/1041012267.db2.gz FJURXGGFADOLAD-MRXNPFEDSA-N 1 1 333.435 4.112 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982946 1041082840 /nfs/dbraw/zinc/08/28/40/1041082840.db2.gz VYGCTSNCKSDAIU-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982946 1041082856 /nfs/dbraw/zinc/08/28/56/1041082856.db2.gz VYGCTSNCKSDAIU-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)nc2c1 ZINC000484083271 1041110347 /nfs/dbraw/zinc/11/03/47/1041110347.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 1 1 329.447 4.102 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083271 1041110372 /nfs/dbraw/zinc/11/03/72/1041110372.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 1 1 329.447 4.102 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083271 1041110396 /nfs/dbraw/zinc/11/03/96/1041110396.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 1 1 329.447 4.102 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1Cl ZINC000425532750 1041176508 /nfs/dbraw/zinc/17/65/08/1041176508.db2.gz KBLWHFACDFQNIL-CYBMUJFWSA-N 1 1 342.826 4.191 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1Cl ZINC000425532750 1041176518 /nfs/dbraw/zinc/17/65/18/1041176518.db2.gz KBLWHFACDFQNIL-CYBMUJFWSA-N 1 1 342.826 4.191 20 30 EIEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)ccc1Oc1ccc(F)cc1 ZINC000554487774 1041182089 /nfs/dbraw/zinc/18/20/89/1041182089.db2.gz KJNYKRMLPWHDPW-KRWDZBQOSA-N 1 1 337.398 4.460 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000425543062 1041223681 /nfs/dbraw/zinc/22/36/81/1041223681.db2.gz ZAAHYYFTUGBXRI-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000425539283 1041225921 /nfs/dbraw/zinc/22/59/21/1041225921.db2.gz TYBYTAWYIHBVPY-INIZCTEOSA-N 1 1 346.434 4.234 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508225 1041396407 /nfs/dbraw/zinc/39/64/07/1041396407.db2.gz CVLSVQFQGWJZGL-FTRWYGJKSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508225 1041396416 /nfs/dbraw/zinc/39/64/16/1041396416.db2.gz CVLSVQFQGWJZGL-FTRWYGJKSA-N 1 1 337.442 4.183 20 30 EIEDMO N#Cc1ccccc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000540418770 1041446532 /nfs/dbraw/zinc/44/65/32/1041446532.db2.gz NFPRDJBIDANOBR-QFIPXVFZSA-N 1 1 328.415 4.468 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2ccc(C#N)s2)C[C@H]2CCCO2)cc1 ZINC000538735221 1041503711 /nfs/dbraw/zinc/50/37/11/1041503711.db2.gz IXXIBAMZURVHMA-GOSISDBHSA-N 1 1 340.492 4.152 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(Br)c1 ZINC000480753531 1041511650 /nfs/dbraw/zinc/51/16/50/1041511650.db2.gz ZMEYHSRRKAFOCU-MRXNPFEDSA-N 1 1 341.252 4.310 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC(C)(C)C ZINC000463367528 1041535462 /nfs/dbraw/zinc/53/54/62/1041535462.db2.gz MNOJROMWANCZQR-HNNXBMFYSA-N 1 1 347.528 4.387 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(CCCOc2cccc(C)c2C)no1 ZINC000904596219 1041549340 /nfs/dbraw/zinc/54/93/40/1041549340.db2.gz JEUSXTAWYGUUSU-INIZCTEOSA-N 1 1 329.444 4.054 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000507190088 1041628106 /nfs/dbraw/zinc/62/81/06/1041628106.db2.gz KVZUSMLOLOKVJS-UHFFFAOYSA-N 1 1 336.435 4.154 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000437424407 1041796883 /nfs/dbraw/zinc/79/68/83/1041796883.db2.gz FLMGGQMPVMUOND-QGZVFWFLSA-N 1 1 328.362 4.279 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ccnn2CC)C(C)(C)C)cc1 ZINC000506050629 1041804899 /nfs/dbraw/zinc/80/48/99/1041804899.db2.gz CJKURHBULINWMR-UHFFFAOYSA-N 1 1 327.472 4.269 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437576348 1041844628 /nfs/dbraw/zinc/84/46/28/1041844628.db2.gz CCMOPDNVRPBDJC-QFBILLFUSA-N 1 1 340.492 4.098 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437576348 1041844631 /nfs/dbraw/zinc/84/46/31/1041844631.db2.gz CCMOPDNVRPBDJC-QFBILLFUSA-N 1 1 340.492 4.098 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000541280674 1041872815 /nfs/dbraw/zinc/87/28/15/1041872815.db2.gz HRZNIFIAZPQRKR-KRWDZBQOSA-N 1 1 349.409 4.413 20 30 EIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314784 1041889269 /nfs/dbraw/zinc/88/92/69/1041889269.db2.gz JIIOOCXXAWGNCQ-QRWLVFNGSA-N 1 1 336.435 4.159 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000541576664 1042023526 /nfs/dbraw/zinc/02/35/26/1042023526.db2.gz PRWYTNFMXOGJBG-FCHUYYIVSA-N 1 1 334.463 4.365 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700912 1042076971 /nfs/dbraw/zinc/07/69/71/1042076971.db2.gz GWZPBSAZWKIKSP-OALUTQOASA-N 1 1 342.389 4.189 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000541760861 1042096431 /nfs/dbraw/zinc/09/64/31/1042096431.db2.gz PBXBEOWKVAIYPU-NSHDSACASA-N 1 1 335.270 4.427 20 30 EIEDMO N#Cc1c(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cn2ccccc12 ZINC000464763272 1042155220 /nfs/dbraw/zinc/15/52/20/1042155220.db2.gz AMVWCINFPLWODJ-KRWDZBQOSA-N 1 1 347.487 4.425 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464838466 1042182944 /nfs/dbraw/zinc/18/29/44/1042182944.db2.gz ZVOMXVISLVJYBK-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464838466 1042182947 /nfs/dbraw/zinc/18/29/47/1042182947.db2.gz ZVOMXVISLVJYBK-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464838466 1042182951 /nfs/dbraw/zinc/18/29/51/1042182951.db2.gz ZVOMXVISLVJYBK-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO N#CCC1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000541948726 1042191906 /nfs/dbraw/zinc/19/19/06/1042191906.db2.gz KVKIMNUKRLDQQA-UHFFFAOYSA-N 1 1 349.356 4.486 20 30 EIEDMO CCC[C@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001168439519 1042199566 /nfs/dbraw/zinc/19/95/66/1042199566.db2.gz VXMQLIPXXBWKPZ-QHCPKHFHSA-N 1 1 347.506 4.239 20 30 EIEDMO CCC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC001168439519 1042199567 /nfs/dbraw/zinc/19/95/67/1042199567.db2.gz VXMQLIPXXBWKPZ-QHCPKHFHSA-N 1 1 347.506 4.239 20 30 EIEDMO CCC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC001168439519 1042199568 /nfs/dbraw/zinc/19/95/68/1042199568.db2.gz VXMQLIPXXBWKPZ-QHCPKHFHSA-N 1 1 347.506 4.239 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656033 1042224556 /nfs/dbraw/zinc/22/45/56/1042224556.db2.gz QRQSTBMXBUYMSU-RHSMWYFYSA-N 1 1 326.827 4.426 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000506264374 1042225284 /nfs/dbraw/zinc/22/52/84/1042225284.db2.gz OELFEKZYOLLIHR-KRWDZBQOSA-N 1 1 345.446 4.250 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000506264374 1042225289 /nfs/dbraw/zinc/22/52/89/1042225289.db2.gz OELFEKZYOLLIHR-KRWDZBQOSA-N 1 1 345.446 4.250 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443655711 1042231774 /nfs/dbraw/zinc/23/17/74/1042231774.db2.gz QRQSTBMXBUYMSU-PBHICJAKSA-N 1 1 326.827 4.426 20 30 EIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000506297776 1042286077 /nfs/dbraw/zinc/28/60/77/1042286077.db2.gz MUWRLFMVCNJKOX-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc4ccccc4o3)CC2)cc1 ZINC000506297776 1042286084 /nfs/dbraw/zinc/28/60/84/1042286084.db2.gz MUWRLFMVCNJKOX-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4ccccc4o3)CC2)cc1 ZINC000506297776 1042286089 /nfs/dbraw/zinc/28/60/89/1042286089.db2.gz MUWRLFMVCNJKOX-UHFFFAOYSA-N 1 1 345.446 4.012 20 30 EIEDMO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(C#N)c1 ZINC000271785828 1042382717 /nfs/dbraw/zinc/38/27/17/1042382717.db2.gz HAPDDZJUWBYSNI-INIZCTEOSA-N 1 1 342.446 4.083 20 30 EIEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000609149752 1042393186 /nfs/dbraw/zinc/39/31/86/1042393186.db2.gz CBCBLWSTQQTRBS-UHFFFAOYSA-N 1 1 339.870 4.232 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2cccc(F)c2)n1 ZINC000491388271 1042434815 /nfs/dbraw/zinc/43/48/15/1042434815.db2.gz ZQGOGPYVYLPEFU-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1coc(-c2cccc(F)c2)n1 ZINC000491388271 1042434821 /nfs/dbraw/zinc/43/48/21/1042434821.db2.gz ZQGOGPYVYLPEFU-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000518286786 1042453660 /nfs/dbraw/zinc/45/36/60/1042453660.db2.gz LDQIPKBGIDYAKE-UHFFFAOYSA-N 1 1 328.431 4.216 20 30 EIEDMO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000439055678 1042484593 /nfs/dbraw/zinc/48/45/93/1042484593.db2.gz JNEQIABOAFLFHQ-QGZVFWFLSA-N 1 1 347.462 4.493 20 30 EIEDMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271966236 1042593478 /nfs/dbraw/zinc/59/34/78/1042593478.db2.gz SMOPDGQOVTWMOK-ZIAGYGMSSA-N 1 1 336.414 4.479 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449443 1042634651 /nfs/dbraw/zinc/63/46/51/1042634651.db2.gz IQUOLFIHPNCMKY-QGZVFWFLSA-N 1 1 330.815 4.288 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449443 1042634661 /nfs/dbraw/zinc/63/46/61/1042634661.db2.gz IQUOLFIHPNCMKY-QGZVFWFLSA-N 1 1 330.815 4.288 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000439449369 1042634738 /nfs/dbraw/zinc/63/47/38/1042634738.db2.gz GPEWJIQOBJYASB-CGTJXYLNSA-N 1 1 332.875 4.237 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2C2CCC2)c2ccccc21 ZINC000174844903 1042715439 /nfs/dbraw/zinc/71/54/39/1042715439.db2.gz RLGVJAPMJPPOFN-IBGZPJMESA-N 1 1 335.451 4.002 20 30 EIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492725392 1042733136 /nfs/dbraw/zinc/73/31/36/1042733136.db2.gz XIKWXFZUWKRQDS-LBPRGKRZSA-N 1 1 341.318 4.284 20 30 EIEDMO CC(C)c1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000030958406 1042756452 /nfs/dbraw/zinc/75/64/52/1042756452.db2.gz BRQDGXHKBJLHQJ-UHFFFAOYSA-N 1 1 341.480 4.204 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1C ZINC000519002865 1042785417 /nfs/dbraw/zinc/78/54/17/1042785417.db2.gz KHXFEQVOVYZBEU-QFBILLFUSA-N 1 1 341.499 4.061 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253621033 1042817817 /nfs/dbraw/zinc/81/78/17/1042817817.db2.gz ZOEVHEULWFTXGH-QWHCGFSZSA-N 1 1 345.512 4.481 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253621033 1042817819 /nfs/dbraw/zinc/81/78/19/1042817819.db2.gz ZOEVHEULWFTXGH-QWHCGFSZSA-N 1 1 345.512 4.481 20 30 EIEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1(C)C ZINC000353935679 1042839309 /nfs/dbraw/zinc/83/93/09/1042839309.db2.gz VFWNQRFNJFENSF-ICSRJNTNSA-N 1 1 330.472 4.005 20 30 EIEDMO C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000311384583 1042859032 /nfs/dbraw/zinc/85/90/32/1042859032.db2.gz WGXXYCBVARLARB-RXVVDRJESA-N 1 1 349.478 4.444 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178513274 1042868812 /nfs/dbraw/zinc/86/88/12/1042868812.db2.gz WVKDETKKOURHTD-FQEVSTJZSA-N 1 1 338.426 4.200 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178513274 1042868813 /nfs/dbraw/zinc/86/88/13/1042868813.db2.gz WVKDETKKOURHTD-FQEVSTJZSA-N 1 1 338.426 4.200 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441656894 1042962332 /nfs/dbraw/zinc/96/23/32/1042962332.db2.gz IAHNFPIJEUENME-SFTDATJTSA-N 1 1 332.447 4.084 20 30 EIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000441658422 1042966308 /nfs/dbraw/zinc/96/63/08/1042966308.db2.gz PQKJCOJFHDPGDV-MRXNPFEDSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444305 1043121104 /nfs/dbraw/zinc/12/11/04/1043121104.db2.gz WBSWPBYHIQONQW-XJKSGUPXSA-N 1 1 348.372 4.172 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444303 1043123174 /nfs/dbraw/zinc/12/31/74/1043123174.db2.gz WBSWPBYHIQONQW-CZUORRHYSA-N 1 1 348.372 4.172 20 30 EIEDMO Cc1nsc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310442192 1043138395 /nfs/dbraw/zinc/13/83/95/1043138395.db2.gz WABMYXKFFARYCW-QGZVFWFLSA-N 1 1 340.496 4.037 20 30 EIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000112699433 1043138960 /nfs/dbraw/zinc/13/89/60/1043138960.db2.gz IWKQBWVSPNMXAQ-NRFANRHFSA-N 1 1 335.451 4.216 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848845 1043152151 /nfs/dbraw/zinc/15/21/51/1043152151.db2.gz CDGQWTSICHIHNO-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507859582 1043158745 /nfs/dbraw/zinc/15/87/45/1043158745.db2.gz MPHFAWRYDQLXTF-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO N#CC1CCC(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000929333805 1043240041 /nfs/dbraw/zinc/24/00/41/1043240041.db2.gz YEMZVROUXQMDOO-BPNZPQAUSA-N 1 1 342.327 4.379 20 30 EIEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000441819442 1043252667 /nfs/dbraw/zinc/25/26/67/1043252667.db2.gz GQCWZZCIHKBURH-LJQANCHMSA-N 1 1 347.890 4.099 20 30 EIEDMO C[N@@H+](CCCSCC#N)Cc1cc(Br)ccc1Cl ZINC000494279139 1043398911 /nfs/dbraw/zinc/39/89/11/1043398911.db2.gz HKZIEBINLNLUSP-UHFFFAOYSA-N 1 1 347.709 4.181 20 30 EIEDMO Cc1cc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2cccnc2)ccc1F ZINC000542481274 1043413338 /nfs/dbraw/zinc/41/33/38/1043413338.db2.gz RMEKRBRGJSGQAH-OAQYLSRUSA-N 1 1 331.394 4.280 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000520888064 1043427221 /nfs/dbraw/zinc/42/72/21/1043427221.db2.gz DWTZTNUEXYPENY-KRWDZBQOSA-N 1 1 349.544 4.100 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195531 1043448675 /nfs/dbraw/zinc/44/86/75/1043448675.db2.gz OPFWOAUDUYGZFC-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(F)c2)c1 ZINC000171416624 1043566803 /nfs/dbraw/zinc/56/68/03/1043566803.db2.gz AYYVIKOAZADCPA-HXUWFJFHSA-N 1 1 335.357 4.111 20 30 EIEDMO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000521253903 1043676768 /nfs/dbraw/zinc/67/67/68/1043676768.db2.gz HEHBQMTWLHDSLW-SGTLLEGYSA-N 1 1 341.798 4.145 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCCCCO)Cc2cccc(F)c2)cc1 ZINC000078687166 1043724607 /nfs/dbraw/zinc/72/46/07/1043724607.db2.gz LKFSBPCCLOQJOK-UHFFFAOYSA-N 1 1 340.442 4.252 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000114733250 1043741454 /nfs/dbraw/zinc/74/14/54/1043741454.db2.gz WQUYOFOVUHKDKV-WMLDXEAASA-N 1 1 339.464 4.092 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000521431728 1043769731 /nfs/dbraw/zinc/76/97/31/1043769731.db2.gz OPYJUNLXCSDOHN-UHFFFAOYSA-N 1 1 345.512 4.090 20 30 EIEDMO N#Cc1c(Cl)nsc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731479715 1043770992 /nfs/dbraw/zinc/77/09/92/1043770992.db2.gz PDWHLCPKZNQRNS-ZDUSSCGKSA-N 1 1 338.908 4.125 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000732213025 1043885295 /nfs/dbraw/zinc/88/52/95/1043885295.db2.gz YBNIXYDCPXRORR-KRWDZBQOSA-N 1 1 326.827 4.232 20 30 EIEDMO Cc1c(Cl)cnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1C#N ZINC000543138102 1043953671 /nfs/dbraw/zinc/95/36/71/1043953671.db2.gz GPTMYEYOWVAFFX-UHFFFAOYSA-N 1 1 337.814 4.423 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000157563918 1043953740 /nfs/dbraw/zinc/95/37/40/1043953740.db2.gz YTKHODPHVUCGBX-KRWDZBQOSA-N 1 1 334.394 4.198 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521822277 1044013265 /nfs/dbraw/zinc/01/32/65/1044013265.db2.gz IFUMVNCEDWCILN-UHFFFAOYSA-N 1 1 342.826 4.351 20 30 EIEDMO C=C(CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)c1ccccc1 ZINC000673342736 1044048982 /nfs/dbraw/zinc/04/89/82/1044048982.db2.gz ZGBGQBNEGACTAL-UHFFFAOYSA-N 1 1 336.479 4.360 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000323802359 1044140123 /nfs/dbraw/zinc/14/01/23/1044140123.db2.gz JIQYRUGBFUTFMY-IBGZPJMESA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000323802359 1044140158 /nfs/dbraw/zinc/14/01/58/1044140158.db2.gz JIQYRUGBFUTFMY-IBGZPJMESA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323802359 1044140186 /nfs/dbraw/zinc/14/01/86/1044140186.db2.gz JIQYRUGBFUTFMY-IBGZPJMESA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245911371 1044209311 /nfs/dbraw/zinc/20/93/11/1044209311.db2.gz FWXQGKRQZIYEKJ-OPAMFIHVSA-N 1 1 342.446 4.152 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2ccccc2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016434 1044249861 /nfs/dbraw/zinc/24/98/61/1044249861.db2.gz VWVBUJHFCYZIFR-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C=CCC[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302940 1044306833 /nfs/dbraw/zinc/30/68/33/1044306833.db2.gz VMGDMKJEOGLYBP-VXKWHMMOSA-N 1 1 348.490 4.332 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121094683 1044343949 /nfs/dbraw/zinc/34/39/49/1044343949.db2.gz BNEUMEABOTWJQQ-QFIPXVFZSA-N 1 1 344.414 4.392 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121094683 1044343965 /nfs/dbraw/zinc/34/39/65/1044343965.db2.gz BNEUMEABOTWJQQ-QFIPXVFZSA-N 1 1 344.414 4.392 20 30 EIEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742029 1044345273 /nfs/dbraw/zinc/34/52/73/1044345273.db2.gz PXBMDDLWLGSMRU-ROUUACIJSA-N 1 1 349.478 4.161 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000466386168 1044349698 /nfs/dbraw/zinc/34/96/98/1044349698.db2.gz NUCXWWTWGPKFED-YZGWKJHDSA-N 1 1 343.515 4.208 20 30 EIEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348030037 1044367998 /nfs/dbraw/zinc/36/79/98/1044367998.db2.gz IHPGOWITZRDVPW-LJQANCHMSA-N 1 1 325.456 4.115 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000466414524 1044411833 /nfs/dbraw/zinc/41/18/33/1044411833.db2.gz KGSVWWLRUGYYKH-DENIHFKCSA-N 1 1 340.511 4.103 20 30 EIEDMO Oc1ccccc1/C=N/[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903385 1044411883 /nfs/dbraw/zinc/41/18/83/1044411883.db2.gz MMWHHAUEPPCLEB-HPMPDSITSA-N 1 1 348.368 4.104 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)c1 ZINC000761758501 1044443739 /nfs/dbraw/zinc/44/37/39/1044443739.db2.gz ZKBCQGZNKCZKTM-QFIPXVFZSA-N 1 1 328.415 4.285 20 30 EIEDMO C#Cc1ccc(CNC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021586 1044445299 /nfs/dbraw/zinc/44/52/99/1044445299.db2.gz QKHOVNWRVYSUSQ-OALUTQOASA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1ccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021586 1044445308 /nfs/dbraw/zinc/44/53/08/1044445308.db2.gz QKHOVNWRVYSUSQ-OALUTQOASA-N 1 1 332.491 4.199 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3csc4ccccc34)CCO2)c1 ZINC000761765841 1044489929 /nfs/dbraw/zinc/48/99/29/1044489929.db2.gz ONSZSWBESKWLAY-IBGZPJMESA-N 1 1 334.444 4.346 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3csc4ccccc34)CCO2)c1 ZINC000761765841 1044489939 /nfs/dbraw/zinc/48/99/39/1044489939.db2.gz ONSZSWBESKWLAY-IBGZPJMESA-N 1 1 334.444 4.346 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000914576310 1044522492 /nfs/dbraw/zinc/52/24/92/1044522492.db2.gz DBHUBNQWQUVSOH-GOSISDBHSA-N 1 1 346.268 4.171 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000895314390 1044576668 /nfs/dbraw/zinc/57/66/68/1044576668.db2.gz UZZHUSWVQXGHDU-ZDUSSCGKSA-N 1 1 335.473 4.221 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000895314390 1044576683 /nfs/dbraw/zinc/57/66/83/1044576683.db2.gz UZZHUSWVQXGHDU-ZDUSSCGKSA-N 1 1 335.473 4.221 20 30 EIEDMO Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(CC(F)(F)C3(F)F)C2)[nH+]1 ZINC000895385166 1044711927 /nfs/dbraw/zinc/71/19/27/1044711927.db2.gz GBDLQWALBSLCKF-LLVKDONJSA-N 1 1 342.258 4.280 20 30 EIEDMO N#Cc1ccc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000474169044 1044748646 /nfs/dbraw/zinc/74/86/46/1044748646.db2.gz JVKVNHXTHNNTEN-JOCHJYFZSA-N 1 1 331.463 4.051 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1Cl ZINC000922471945 1044753627 /nfs/dbraw/zinc/75/36/27/1044753627.db2.gz ZXQRHBUKKDDOSR-UHFFFAOYSA-N 1 1 334.872 4.140 20 30 EIEDMO CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306244 1044791660 /nfs/dbraw/zinc/79/16/60/1044791660.db2.gz LCHKRJQJWNFQBH-UHFFFAOYSA-N 1 1 344.842 4.273 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000735309481 1044797357 /nfs/dbraw/zinc/79/73/57/1044797357.db2.gz FWASXJGGXCHTCA-MRXNPFEDSA-N 1 1 326.827 4.232 20 30 EIEDMO C[N@@H+](CCCOc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308871 1044799701 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CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000282132258 1045767854 /nfs/dbraw/zinc/76/78/54/1045767854.db2.gz YWVSBJSZEQRGLA-FQEVSTJZSA-N 1 1 326.484 4.486 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000768258941 1045769832 /nfs/dbraw/zinc/76/98/32/1045769832.db2.gz ZAHYSWZOUURXOX-QGZVFWFLSA-N 1 1 349.478 4.208 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)cc1 ZINC000763235808 1045786692 /nfs/dbraw/zinc/78/66/92/1045786692.db2.gz MPWCGLOOXSWWKI-HSZRJFAPSA-N 1 1 342.442 4.409 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000768542175 1045818405 /nfs/dbraw/zinc/81/84/05/1045818405.db2.gz PACMGKJCKQTVJA-UHFFFAOYSA-N 1 1 341.798 4.284 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000769191750 1045885666 /nfs/dbraw/zinc/88/56/66/1045885666.db2.gz CLCBDBFNTJVRJZ-UHFFFAOYSA-N 1 1 341.886 4.364 20 30 EIEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769319159 1045919453 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ZINC000124705923 1046256886 /nfs/dbraw/zinc/25/68/86/1046256886.db2.gz XPVHVDQWQUFVRZ-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000124705923 1046256907 /nfs/dbraw/zinc/25/69/07/1046256907.db2.gz XPVHVDQWQUFVRZ-UHFFFAOYSA-N 1 1 330.353 4.117 20 30 EIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282063282 1046313240 /nfs/dbraw/zinc/31/32/40/1046313240.db2.gz SGADYHVGSHTSED-NRFANRHFSA-N 1 1 340.511 4.432 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cc(F)ccc1F ZINC000916987743 1046526422 /nfs/dbraw/zinc/52/64/22/1046526422.db2.gz VYDRMUFFMNZVPE-OAHLLOKOSA-N 1 1 343.826 4.401 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cc(F)ccc1F ZINC000916987743 1046526446 /nfs/dbraw/zinc/52/64/46/1046526446.db2.gz VYDRMUFFMNZVPE-OAHLLOKOSA-N 1 1 343.826 4.401 20 30 EIEDMO CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000536650494 1046616162 /nfs/dbraw/zinc/61/61/62/1046616162.db2.gz IEXGTDANURQQDC-GOSISDBHSA-N 1 1 344.462 4.386 20 30 EIEDMO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C(C)C ZINC000917069126 1046643612 /nfs/dbraw/zinc/64/36/12/1046643612.db2.gz ISIHKBWBSOXQHW-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C(C)C ZINC000917069126 1046643621 /nfs/dbraw/zinc/64/36/21/1046643621.db2.gz ISIHKBWBSOXQHW-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000536696710 1046696112 /nfs/dbraw/zinc/69/61/12/1046696112.db2.gz FRPSRHPMOQNRKL-UHFFFAOYSA-N 1 1 342.483 4.294 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC000154389206 1046874750 /nfs/dbraw/zinc/87/47/50/1046874750.db2.gz SNJLVJDNEHOPAD-UHFFFAOYSA-N 1 1 348.475 4.487 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594358 1046875918 /nfs/dbraw/zinc/87/59/18/1046875918.db2.gz WUZOIEINOUAVLZ-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594358 1046875922 /nfs/dbraw/zinc/87/59/22/1046875922.db2.gz WUZOIEINOUAVLZ-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594357 1046876279 /nfs/dbraw/zinc/87/62/79/1046876279.db2.gz WUZOIEINOUAVLZ-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594357 1046876283 /nfs/dbraw/zinc/87/62/83/1046876283.db2.gz WUZOIEINOUAVLZ-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCOc1ccccc1C#N ZINC000497613090 1046891161 /nfs/dbraw/zinc/89/11/61/1046891161.db2.gz VVOFLPDQZDCMHW-AWEZNQCLSA-N 1 1 337.448 4.240 20 30 EIEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCOc1ccccc1C#N ZINC000497613090 1046891169 /nfs/dbraw/zinc/89/11/69/1046891169.db2.gz VVOFLPDQZDCMHW-AWEZNQCLSA-N 1 1 337.448 4.240 20 30 EIEDMO CCN(C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)C1CCCCC1 ZINC000497618236 1046895661 /nfs/dbraw/zinc/89/56/61/1046895661.db2.gz LURLMWAEFOECMV-KRWDZBQOSA-N 1 1 341.499 4.122 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787152019 1046919284 /nfs/dbraw/zinc/91/92/84/1046919284.db2.gz DJGHETHFHRSUSY-UHFFFAOYSA-N 1 1 339.748 4.257 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787152019 1046919296 /nfs/dbraw/zinc/91/92/96/1046919296.db2.gz DJGHETHFHRSUSY-UHFFFAOYSA-N 1 1 339.748 4.257 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000128586199 1046975303 /nfs/dbraw/zinc/97/53/03/1046975303.db2.gz SYSGUXBKCIQYDN-IEBWSBKVSA-N 1 1 343.446 4.070 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826657 1047035945 /nfs/dbraw/zinc/03/59/45/1047035945.db2.gz GJLTYPQEOLPTRP-GOSISDBHSA-N 1 1 349.519 4.230 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCCn2ccnc2)C(C)(C)C)cc1 ZINC000537250088 1047061472 /nfs/dbraw/zinc/06/14/72/1047061472.db2.gz VGXUZHPBLJDNQS-UHFFFAOYSA-N 1 1 327.472 4.139 20 30 EIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000917842601 1047165392 /nfs/dbraw/zinc/16/53/92/1047165392.db2.gz YCKHREGKNDOXTJ-IBGZPJMESA-N 1 1 349.478 4.071 20 30 EIEDMO C#CCC1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCCCC1 ZINC000788451041 1047191293 /nfs/dbraw/zinc/19/12/93/1047191293.db2.gz NRBQDYUZQQGTJY-QGZVFWFLSA-N 1 1 349.478 4.332 20 30 EIEDMO C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537407929 1047198779 /nfs/dbraw/zinc/19/87/79/1047198779.db2.gz YAVNEACBHJSDLU-HOTGVXAUSA-N 1 1 339.458 4.477 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1cccc(C#N)c1 ZINC000788608260 1047245084 /nfs/dbraw/zinc/24/50/84/1047245084.db2.gz DGFLSWUWXBSCKB-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1nc(Br)ccc1F)c1cccc(C#N)c1 ZINC000788608259 1047245869 /nfs/dbraw/zinc/24/58/69/1047245869.db2.gz DGFLSWUWXBSCKB-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO C=C(Br)CN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729542554 1047247681 /nfs/dbraw/zinc/24/76/81/1047247681.db2.gz LVNBBVWYOOOLOI-NVXWUHKLSA-N 1 1 337.305 4.052 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000760326764 1047322779 /nfs/dbraw/zinc/32/27/79/1047322779.db2.gz QBEAFJHKORBIRL-MRXNPFEDSA-N 1 1 345.215 4.237 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446136 1047396405 /nfs/dbraw/zinc/39/64/05/1047396405.db2.gz UZMOGGJQBIDRBJ-UHFFFAOYSA-N 1 1 341.252 4.485 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3cccs3)cc2)n1 ZINC000789328978 1047404038 /nfs/dbraw/zinc/40/40/38/1047404038.db2.gz GZTHLOWKMFBSHZ-UHFFFAOYSA-N 1 1 335.476 4.267 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3cccs3)cc2)n1 ZINC000789328978 1047404028 /nfs/dbraw/zinc/40/40/28/1047404028.db2.gz GZTHLOWKMFBSHZ-UHFFFAOYSA-N 1 1 335.476 4.267 20 30 EIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000476267912 1047441024 /nfs/dbraw/zinc/44/10/24/1047441024.db2.gz BBKSPTALTZOYEQ-IBGZPJMESA-N 1 1 345.446 4.027 20 30 EIEDMO C=CCCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000476313865 1047466507 /nfs/dbraw/zinc/46/65/07/1047466507.db2.gz LFVNTMPOBUDAKO-SFHVURJKSA-N 1 1 332.532 4.236 20 30 EIEDMO Cc1cccnc1N=NC1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000790188230 1047533640 /nfs/dbraw/zinc/53/36/40/1047533640.db2.gz WIWQDWDSNAZTGU-RBUKOAKNSA-N 1 1 334.467 4.090 20 30 EIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739302 1047631270 /nfs/dbraw/zinc/63/12/70/1047631270.db2.gz JUEHRFSLHHNQFL-KRWDZBQOSA-N 1 1 333.435 4.282 20 30 EIEDMO COc1ccc(C[N@H+](C)[C@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC000556534705 1047809296 /nfs/dbraw/zinc/80/92/96/1047809296.db2.gz UNPFHXQCACIOOA-QFIPXVFZSA-N 1 1 348.446 4.037 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC000556534705 1047809299 /nfs/dbraw/zinc/80/92/99/1047809299.db2.gz UNPFHXQCACIOOA-QFIPXVFZSA-N 1 1 348.446 4.037 20 30 EIEDMO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000057873824 1047812205 /nfs/dbraw/zinc/81/22/05/1047812205.db2.gz VCXUUJFJKKDHHH-NSHDSACASA-N 1 1 348.233 4.154 20 30 EIEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1SC(F)(F)F ZINC000814670437 1048125121 /nfs/dbraw/zinc/12/51/21/1048125121.db2.gz RZIQCFBNNGYWME-UHFFFAOYSA-N 1 1 332.391 4.289 20 30 EIEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1SC(F)(F)F ZINC000814670437 1048125132 /nfs/dbraw/zinc/12/51/32/1048125132.db2.gz RZIQCFBNNGYWME-UHFFFAOYSA-N 1 1 332.391 4.289 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143769463 1048188374 /nfs/dbraw/zinc/18/83/74/1048188374.db2.gz NHDHUWJYNVHZBE-LJQANCHMSA-N 1 1 342.389 4.188 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1)C(C)C ZINC000809088546 1048204742 /nfs/dbraw/zinc/20/47/42/1048204742.db2.gz SHLHNNZSEVCWEB-IZAXUBKRSA-N 1 1 342.483 4.404 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1O ZINC000919939506 1048321753 /nfs/dbraw/zinc/32/17/53/1048321753.db2.gz YFBWXKKNJUCPEK-GOSISDBHSA-N 1 1 342.439 4.153 20 30 EIEDMO C=C[C@@H](C)ONC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000844488246 1048362878 /nfs/dbraw/zinc/36/28/78/1048362878.db2.gz RYLMQHSWQJTBQS-OAHLLOKOSA-N 1 1 331.460 4.079 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCSC[C@@H]2c2cccc3ccccc32)c1 ZINC001144086445 1048404033 /nfs/dbraw/zinc/40/40/33/1048404033.db2.gz SNMSRAPUKBDCNE-OAQYLSRUSA-N 1 1 345.471 4.397 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CCSC[C@@H]2c2cccc3ccccc32)c1 ZINC001144086445 1048404036 /nfs/dbraw/zinc/40/40/36/1048404036.db2.gz SNMSRAPUKBDCNE-OAQYLSRUSA-N 1 1 345.471 4.397 20 30 EIEDMO C#Cc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000809580344 1048409478 /nfs/dbraw/zinc/40/94/78/1048409478.db2.gz IODORTXYSPLOHB-UHFFFAOYSA-N 1 1 341.476 4.039 20 30 EIEDMO C[N@H+](Cc1cccc(Oc2ccccc2)c1)Cc1cncc(C#N)c1 ZINC001144084558 1048414786 /nfs/dbraw/zinc/41/47/86/1048414786.db2.gz GOJCZLQGZXFKLG-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1cccc(Oc2ccccc2)c1)Cc1cncc(C#N)c1 ZINC001144084558 1048414790 /nfs/dbraw/zinc/41/47/90/1048414790.db2.gz GOJCZLQGZXFKLG-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)s1 ZINC000809699345 1048462806 /nfs/dbraw/zinc/46/28/06/1048462806.db2.gz QNPMWUJRVMKLJH-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO Cc1ccc(C#N)nc1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170585483 1048483146 /nfs/dbraw/zinc/48/31/46/1048483146.db2.gz LMDKCHSMDFTQTA-INIZCTEOSA-N 1 1 349.265 4.283 20 30 EIEDMO C[NH+](C)[C@H](CNc1ccc(CC#N)cn1)c1ccc(Cl)cc1Cl ZINC001170587006 1048528456 /nfs/dbraw/zinc/52/84/56/1048528456.db2.gz ZJJXEJKSSGHCAJ-MRXNPFEDSA-N 1 1 349.265 4.169 20 30 EIEDMO CCOc1cccc(/C=N\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174134 1048571142 /nfs/dbraw/zinc/57/11/42/1048571142.db2.gz KIOLQSIBANIVNC-KDNRWNGDSA-N 1 1 338.451 4.045 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C/c2cc(Cl)ccc2O)C1 ZINC000920173964 1048572066 /nfs/dbraw/zinc/57/20/66/1048572066.db2.gz HYDPHKARPWQBRI-IHGRXGKKSA-N 1 1 328.843 4.300 20 30 EIEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001144498554 1048698876 /nfs/dbraw/zinc/69/88/76/1048698876.db2.gz QOQVYRGDFMUFFZ-UHFFFAOYSA-N 1 1 338.451 4.400 20 30 EIEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001144498554 1048698888 /nfs/dbraw/zinc/69/88/88/1048698888.db2.gz QOQVYRGDFMUFFZ-UHFFFAOYSA-N 1 1 338.451 4.400 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730341 /nfs/dbraw/zinc/73/03/41/1048730341.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 1 1 346.518 4.063 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730355 /nfs/dbraw/zinc/73/03/55/1048730355.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 1 1 346.518 4.063 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001144573888 1048732089 /nfs/dbraw/zinc/73/20/89/1048732089.db2.gz SCEWZQYAEIXXTE-QHCPKHFHSA-N 1 1 348.465 4.048 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001144569012 1048733130 /nfs/dbraw/zinc/73/31/30/1048733130.db2.gz IOEICNRVFWYGTL-GOTSBHOMSA-N 1 1 331.459 4.207 20 30 EIEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000133624093 1048752088 /nfs/dbraw/zinc/75/20/88/1048752088.db2.gz PUOAFEVNCFMSCS-DLBZAZTESA-N 1 1 346.434 4.033 20 30 EIEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846009045 1048787133 /nfs/dbraw/zinc/78/71/33/1048787133.db2.gz ZXLIQMYHOHFBPP-SFHVURJKSA-N 1 1 348.368 4.051 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001171220788 1048855642 /nfs/dbraw/zinc/85/56/42/1048855642.db2.gz BYPHXLYDPLIUJM-IUKKYPGJSA-N 1 1 348.490 4.495 20 30 EIEDMO C=CCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001144795988 1048858790 /nfs/dbraw/zinc/85/87/90/1048858790.db2.gz UHANOXSIFRPUIJ-UHFFFAOYSA-N 1 1 332.532 4.238 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224237 1048859240 /nfs/dbraw/zinc/85/92/40/1048859240.db2.gz QCMTUJFTZGZZFV-MGPUTAFESA-N 1 1 340.467 4.418 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001171223324 1048860938 /nfs/dbraw/zinc/86/09/38/1048860938.db2.gz MRKWGDDQUVUJBT-GCJKJVERSA-N 1 1 334.463 4.170 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171232447 1048877592 /nfs/dbraw/zinc/87/75/92/1048877592.db2.gz SKXJIXPQAPSSEX-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171232447 1048877597 /nfs/dbraw/zinc/87/75/97/1048877597.db2.gz SKXJIXPQAPSSEX-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171232447 1048877599 /nfs/dbraw/zinc/87/75/99/1048877599.db2.gz SKXJIXPQAPSSEX-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO O[C@@H](C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccco1 ZINC000747659332 1048899730 /nfs/dbraw/zinc/89/97/30/1048899730.db2.gz YZXOKXQQBWFTLX-NRFANRHFSA-N 1 1 349.405 4.006 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3nc(Cl)ccc3Cl)CCC2)cc1 ZINC000847062228 1048995371 /nfs/dbraw/zinc/99/53/71/1048995371.db2.gz XNZGZFBSQLZTRF-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350085 1049052291 /nfs/dbraw/zinc/05/22/91/1049052291.db2.gz CDYZCOXSTTUPRS-UHFFFAOYSA-N 1 1 348.406 4.130 20 30 EIEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350085 1049052302 /nfs/dbraw/zinc/05/23/02/1049052302.db2.gz CDYZCOXSTTUPRS-UHFFFAOYSA-N 1 1 348.406 4.130 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171297941 1049097727 /nfs/dbraw/zinc/09/77/27/1049097727.db2.gz QPXUSBFTEGFZLV-AEFFLSMTSA-N 1 1 327.472 4.033 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nc(C)sc2C)c1 ZINC000772982292 1049192658 /nfs/dbraw/zinc/19/26/58/1049192658.db2.gz BSNUCZLIRTZULE-WBMJQRKESA-N 1 1 329.469 4.292 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 ZINC000811691057 1049228214 /nfs/dbraw/zinc/22/82/14/1049228214.db2.gz IZJTUMHTJAPPMQ-JXMROGBWSA-N 1 1 331.350 4.088 20 30 EIEDMO N#Cc1ccc([C@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)cc1 ZINC000819431373 1049326216 /nfs/dbraw/zinc/32/62/16/1049326216.db2.gz UKSKMMIPHIMJPL-OAQYLSRUSA-N 1 1 335.451 4.306 20 30 EIEDMO C[C@H]1SCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000609829487 1049349285 /nfs/dbraw/zinc/34/92/85/1049349285.db2.gz XPHRXLKLMOZRFP-OXQOHEQNSA-N 1 1 338.476 4.116 20 30 EIEDMO C=CCN(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000079392735 1049394221 /nfs/dbraw/zinc/39/42/21/1049394221.db2.gz IJDOGUPGKKNUFN-LJQANCHMSA-N 1 1 343.515 4.039 20 30 EIEDMO N#Cc1c(Cl)nsc1S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000819933979 1049394324 /nfs/dbraw/zinc/39/43/24/1049394324.db2.gz FTOJEBRQJRFPHA-ZDUSSCGKSA-N 1 1 349.912 4.425 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)c(F)c1 ZINC000105642730 1049403044 /nfs/dbraw/zinc/40/30/44/1049403044.db2.gz UQWXFRISNNISBG-UHFFFAOYSA-N 1 1 326.343 4.036 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000773042451 1049545740 /nfs/dbraw/zinc/54/57/40/1049545740.db2.gz VLAMLULODPDQNW-CYBMUJFWSA-N 1 1 344.798 4.111 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000610132344 1049556169 /nfs/dbraw/zinc/55/61/69/1049556169.db2.gz WCJWAANQCHPXDJ-UHFFFAOYSA-N 1 1 338.451 4.201 20 30 EIEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170685440 1049566802 /nfs/dbraw/zinc/56/68/02/1049566802.db2.gz NAJZWEWFHGGNBC-GOSISDBHSA-N 1 1 326.390 4.238 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170685440 1049566815 /nfs/dbraw/zinc/56/68/15/1049566815.db2.gz NAJZWEWFHGGNBC-GOSISDBHSA-N 1 1 326.390 4.238 20 30 EIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000773113177 1049590558 /nfs/dbraw/zinc/59/05/58/1049590558.db2.gz CCVXRUHSCIFHBE-MGPUTAFESA-N 1 1 348.425 4.130 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c(OCC)c(OC)c1)c1ccc(F)cc1 ZINC000812793776 1049592507 /nfs/dbraw/zinc/59/25/07/1049592507.db2.gz DLNBLSYJSQYFRL-QGZVFWFLSA-N 1 1 347.817 4.351 20 30 EIEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853501 1049614045 /nfs/dbraw/zinc/61/40/45/1049614045.db2.gz RIHSHPGWXDIIBN-IFXJQAMLSA-N 1 1 328.843 4.156 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853861 1049616937 /nfs/dbraw/zinc/61/69/37/1049616937.db2.gz TWHLNGMQILVXHC-AUUYWEPGSA-N 1 1 328.843 4.156 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(C)(C)C ZINC001171616500 1049766852 /nfs/dbraw/zinc/76/68/52/1049766852.db2.gz CHUNYMHVRIOQEH-JXXFODFXSA-N 1 1 349.519 4.036 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000179849298 1049777434 /nfs/dbraw/zinc/77/74/34/1049777434.db2.gz MEKKFPIZCKSHOS-UHFFFAOYSA-N 1 1 344.462 4.076 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000179849298 1049777445 /nfs/dbraw/zinc/77/74/45/1049777445.db2.gz MEKKFPIZCKSHOS-UHFFFAOYSA-N 1 1 344.462 4.076 20 30 EIEDMO C[C@@H]1C[C@@H](N(CCC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171746602 1049789477 /nfs/dbraw/zinc/78/94/77/1049789477.db2.gz PSGRFUGDRKYUPI-DENIHFKCSA-N 1 1 333.479 4.065 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)c(F)c1)C1CSC1 ZINC001171867947 1049815609 /nfs/dbraw/zinc/81/56/09/1049815609.db2.gz SDUDYCZSWYAACD-UHFFFAOYSA-N 1 1 327.424 4.169 20 30 EIEDMO C#CC[N@H+](Cc1ccc(Oc2ccccc2)c(F)c1)C1CSC1 ZINC001171867947 1049815610 /nfs/dbraw/zinc/81/56/10/1049815610.db2.gz SDUDYCZSWYAACD-UHFFFAOYSA-N 1 1 327.424 4.169 20 30 EIEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC001171006409 1049824918 /nfs/dbraw/zinc/82/49/18/1049824918.db2.gz FJJKSFVLASNTIJ-AWEZNQCLSA-N 1 1 346.833 4.444 20 30 EIEDMO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CCN1Cc1ccccc1 ZINC001171972317 1049834949 /nfs/dbraw/zinc/83/49/49/1049834949.db2.gz PZBRXSCGTBUYJT-MISYRCLQSA-N 1 1 325.500 4.102 20 30 EIEDMO CC1(C)C[C@@H](NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171973027 1049835762 /nfs/dbraw/zinc/83/57/62/1049835762.db2.gz VDVSTJQEISINLN-IBGZPJMESA-N 1 1 325.500 4.246 20 30 EIEDMO CC1(C)C[C@@H](NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC001171982486 1049838584 /nfs/dbraw/zinc/83/85/84/1049838584.db2.gz JAJFRXQDGKFMKA-KRWDZBQOSA-N 1 1 339.508 4.153 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC001171982486 1049838594 /nfs/dbraw/zinc/83/85/94/1049838594.db2.gz JAJFRXQDGKFMKA-KRWDZBQOSA-N 1 1 339.508 4.153 20 30 EIEDMO N#C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064547 1049851685 /nfs/dbraw/zinc/85/16/85/1049851685.db2.gz HCKZMSMNWNSXET-GPJHCHHRSA-N 1 1 345.490 4.427 20 30 EIEDMO CC(C)C[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066691 1049851813 /nfs/dbraw/zinc/85/18/13/1049851813.db2.gz CNENVHDBYOIORT-LRSLUSHPSA-N 1 1 339.527 4.490 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616594 1049863107 /nfs/dbraw/zinc/86/31/07/1049863107.db2.gz ATKOQWMFXMLYRQ-UGSOOPFHSA-N 1 1 348.368 4.303 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001172314682 1049875497 /nfs/dbraw/zinc/87/54/97/1049875497.db2.gz LEZMOXQTMBUFDK-ZDUSSCGKSA-N 1 1 333.357 4.035 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312873 1049875641 /nfs/dbraw/zinc/87/56/41/1049875641.db2.gz KZJJNGAPSHZFAH-GCJKJVERSA-N 1 1 348.490 4.453 20 30 EIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312805 1049875835 /nfs/dbraw/zinc/87/58/35/1049875835.db2.gz JQRKIXBGPIRFJC-LAUBAEHRSA-N 1 1 334.463 4.473 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172312186 1049875844 /nfs/dbraw/zinc/87/58/44/1049875844.db2.gz FOUNSCTWNDOZDM-FOIQADDNSA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172312186 1049875849 /nfs/dbraw/zinc/87/58/49/1049875849.db2.gz FOUNSCTWNDOZDM-FOIQADDNSA-N 1 1 340.854 4.216 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)[C@@H]2CC ZINC001172373453 1049883725 /nfs/dbraw/zinc/88/37/25/1049883725.db2.gz MPHWIZYYOOLQOZ-FKAKKMJLSA-N 1 1 332.532 4.233 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)[C@H]2CC ZINC001172373461 1049883769 /nfs/dbraw/zinc/88/37/69/1049883769.db2.gz MPHWIZYYOOLQOZ-KKKDIUQISA-N 1 1 332.532 4.233 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001172354241 1049893495 /nfs/dbraw/zinc/89/34/95/1049893495.db2.gz FTJIZMKPWFMWQO-MOPGFXCFSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001172356512 1049893872 /nfs/dbraw/zinc/89/38/72/1049893872.db2.gz WJGMBKNFPIRYSK-CEXWTWQISA-N 1 1 346.515 4.423 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001172359612 1049895352 /nfs/dbraw/zinc/89/53/52/1049895352.db2.gz YZMSYPFBDVXKHT-QGZVFWFLSA-N 1 1 336.524 4.158 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001172359612 1049895357 /nfs/dbraw/zinc/89/53/57/1049895357.db2.gz YZMSYPFBDVXKHT-QGZVFWFLSA-N 1 1 336.524 4.158 20 30 EIEDMO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)[C@@H](C)CCCC#N ZINC001172497526 1049921348 /nfs/dbraw/zinc/92/13/48/1049921348.db2.gz CLMAABNSWYRWON-HKUYNNGSSA-N 1 1 330.472 4.159 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001172500840 1049922958 /nfs/dbraw/zinc/92/29/58/1049922958.db2.gz AXFLRJBYRWFVKS-JKSUJKDBSA-N 1 1 333.476 4.058 20 30 EIEDMO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923182 /nfs/dbraw/zinc/92/31/82/1049923182.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 1 1 325.500 4.179 20 30 EIEDMO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923191 /nfs/dbraw/zinc/92/31/91/1049923191.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 1 1 325.500 4.179 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172505520 1049923757 /nfs/dbraw/zinc/92/37/57/1049923757.db2.gz ONNDIMXWNVSUBM-MSOLQXFVSA-N 1 1 335.536 4.495 20 30 EIEDMO CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172503345 1049924274 /nfs/dbraw/zinc/92/42/74/1049924274.db2.gz FMXMLAXIECFQGX-IAGOWNOFSA-N 1 1 337.508 4.038 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172510922 1049927156 /nfs/dbraw/zinc/92/71/56/1049927156.db2.gz KEUSIZZNDHXGEP-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172510922 1049927165 /nfs/dbraw/zinc/92/71/65/1049927165.db2.gz KEUSIZZNDHXGEP-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)CC(C)(C)C#N ZINC000840073144 1049940782 /nfs/dbraw/zinc/94/07/82/1049940782.db2.gz LMPOLZAXJLHLAY-UHFFFAOYSA-N 1 1 347.256 4.289 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645876 1049954745 /nfs/dbraw/zinc/95/47/45/1049954745.db2.gz PBHHUNIKNZMYGK-HLIPFELVSA-N 1 1 349.519 4.180 20 30 EIEDMO CC1(C)CC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC(C)(C)O1 ZINC001172658935 1049958697 /nfs/dbraw/zinc/95/86/97/1049958697.db2.gz INRMZKZOEBZBGL-LJQANCHMSA-N 1 1 342.483 4.138 20 30 EIEDMO C=CCOCc1ncn2c1C[N@H+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172725974 1049967237 /nfs/dbraw/zinc/96/72/37/1049967237.db2.gz JNUQTDSXGJQMLA-UHFFFAOYSA-N 1 1 343.515 4.294 20 30 EIEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326048 1050049758 /nfs/dbraw/zinc/04/97/58/1050049758.db2.gz BQOBZOZFKZJPKZ-HZPDHXFCSA-N 1 1 347.528 4.245 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000248947849 1050085500 /nfs/dbraw/zinc/08/55/00/1050085500.db2.gz DQIBGNKMHDEENT-RUYXUALKSA-N 1 1 327.516 4.063 20 30 EIEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N1CCCCCC1 ZINC001177209306 1050161604 /nfs/dbraw/zinc/16/16/04/1050161604.db2.gz LQMZZXHRSCWIBV-NRFANRHFSA-N 1 1 339.527 4.232 20 30 EIEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172864148 1050200068 /nfs/dbraw/zinc/20/00/68/1050200068.db2.gz OOWHSDCTERUKAJ-CYBMUJFWSA-N 1 1 328.818 4.340 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773670355 1050237272 /nfs/dbraw/zinc/23/72/72/1050237272.db2.gz SVPPENXPEGZWGT-UHFFFAOYSA-N 1 1 326.802 4.015 20 30 EIEDMO Fc1ccc(C#CC[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773670355 1050237279 /nfs/dbraw/zinc/23/72/79/1050237279.db2.gz SVPPENXPEGZWGT-UHFFFAOYSA-N 1 1 326.802 4.015 20 30 EIEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000181670382 1050292989 /nfs/dbraw/zinc/29/29/89/1050292989.db2.gz OWXBSPHWSCJLGL-GOSISDBHSA-N 1 1 330.378 4.476 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000763498925 1050313953 /nfs/dbraw/zinc/31/39/53/1050313953.db2.gz FZXZZINJZYNNJP-VXKWHMMOSA-N 1 1 332.447 4.134 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618283291 1050328111 /nfs/dbraw/zinc/32/81/11/1050328111.db2.gz FZSDUFJBPIOOLM-PHIMTYICSA-N 1 1 330.316 4.379 20 30 EIEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000618284595 1050329167 /nfs/dbraw/zinc/32/91/67/1050329167.db2.gz YXMUCJRGJUHDNV-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000618284595 1050329172 /nfs/dbraw/zinc/32/91/72/1050329172.db2.gz YXMUCJRGJUHDNV-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000618284595 1050329188 /nfs/dbraw/zinc/32/91/88/1050329188.db2.gz YXMUCJRGJUHDNV-LJQANCHMSA-N 1 1 327.516 4.303 20 30 EIEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(Br)c1 ZINC001236856286 1050380821 /nfs/dbraw/zinc/38/08/21/1050380821.db2.gz QPFMZMIDLZFGQQ-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C=CCOC1CCC([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173321353 1050414841 /nfs/dbraw/zinc/41/48/41/1050414841.db2.gz JHLZHZGKTIXAGH-ONZKCSKKSA-N 1 1 342.527 4.095 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326901 1050418453 /nfs/dbraw/zinc/41/84/53/1050418453.db2.gz UKXKSGNNYPXPQY-SOAGJPPSSA-N 1 1 349.902 4.401 20 30 EIEDMO C=CCOC1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC001173316236 1050439553 /nfs/dbraw/zinc/43/95/53/1050439553.db2.gz YPOGUDVAGBUCHT-UHFFFAOYSA-N 1 1 346.858 4.197 20 30 EIEDMO COC(=O)CCCC[C@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001173457215 1050468378 /nfs/dbraw/zinc/46/83/78/1050468378.db2.gz JKBFUCBENGHDCF-HNNXBMFYSA-N 1 1 336.863 4.178 20 30 EIEDMO COC(=O)CCCC[C@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001173457215 1050468388 /nfs/dbraw/zinc/46/83/88/1050468388.db2.gz JKBFUCBENGHDCF-HNNXBMFYSA-N 1 1 336.863 4.178 20 30 EIEDMO CC(C)[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173601010 1050501874 /nfs/dbraw/zinc/50/18/74/1050501874.db2.gz NJFDCENMAFJXJJ-OHTSDLOESA-N 1 1 349.519 4.179 20 30 EIEDMO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808022 1050535646 /nfs/dbraw/zinc/53/56/46/1050535646.db2.gz YNSNMQRGPSMPKW-BSLALVQMSA-N 1 1 337.511 4.178 20 30 EIEDMO CCCCCCCOc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC001178851975 1050570976 /nfs/dbraw/zinc/57/09/76/1050570976.db2.gz PQDVJKGINMIJSO-SFHVURJKSA-N 1 1 341.499 4.406 20 30 EIEDMO CC(=O)Oc1ccc(C2CCC([N@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC001173790017 1050572211 /nfs/dbraw/zinc/57/22/11/1050572211.db2.gz ZWEXMNWYDOXGMA-ZJRDLVKKSA-N 1 1 340.467 4.264 20 30 EIEDMO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC#N)C[C@H]2CC1 ZINC001273551380 1050663599 /nfs/dbraw/zinc/66/35/99/1050663599.db2.gz LUOHOCTXCGEXFI-SLFFLAALSA-N 1 1 347.547 4.067 20 30 EIEDMO COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1Cl ZINC001174151939 1050791442 /nfs/dbraw/zinc/79/14/42/1050791442.db2.gz RVPUENJNODXDHI-UHFFFAOYSA-N 1 1 333.844 4.013 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCCCO2 ZINC001180030179 1050858294 /nfs/dbraw/zinc/85/82/94/1050858294.db2.gz JPGIKSOMGYQDIR-UHFFFAOYSA-N 1 1 339.410 4.013 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCCCO2 ZINC001180030179 1050858300 /nfs/dbraw/zinc/85/83/00/1050858300.db2.gz JPGIKSOMGYQDIR-UHFFFAOYSA-N 1 1 339.410 4.013 20 30 EIEDMO C#CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1CCCCC1 ZINC001180029871 1050858372 /nfs/dbraw/zinc/85/83/72/1050858372.db2.gz GSCZOHSZIWEBHG-KRWDZBQOSA-N 1 1 336.520 4.051 20 30 EIEDMO C[C@@H](CCC#N)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001180372502 1050982588 /nfs/dbraw/zinc/98/25/88/1050982588.db2.gz TULDECJFXPYFIO-FQEVSTJZSA-N 1 1 347.506 4.333 20 30 EIEDMO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196055 1051057609 /nfs/dbraw/zinc/05/76/09/1051057609.db2.gz LILPYUAGXJTJGE-IBGZPJMESA-N 1 1 340.511 4.007 20 30 EIEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758109 1051180522 /nfs/dbraw/zinc/18/05/22/1051180522.db2.gz ACFFQVHIWPSNMU-RHSMWYFYSA-N 1 1 340.389 4.031 20 30 EIEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)[C@@H]1CCc2ccccc21 ZINC001190528843 1051205847 /nfs/dbraw/zinc/20/58/47/1051205847.db2.gz MXTZLTLVLSXDNR-JOCHJYFZSA-N 1 1 347.458 4.375 20 30 EIEDMO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001190529550 1051206640 /nfs/dbraw/zinc/20/66/40/1051206640.db2.gz SQEZGRHFUMKFKJ-IOOHMRRSSA-N 1 1 332.447 4.116 20 30 EIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1OC ZINC001190944965 1051307298 /nfs/dbraw/zinc/30/72/98/1051307298.db2.gz WRMURUOAMYUTNT-UHFFFAOYSA-N 1 1 326.415 4.161 20 30 EIEDMO C=CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCCCC1 ZINC001190986140 1051319854 /nfs/dbraw/zinc/31/98/54/1051319854.db2.gz VUETXMPHCPHOSC-UHFFFAOYSA-N 1 1 336.407 4.311 20 30 EIEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001175103473 1051351928 /nfs/dbraw/zinc/35/19/28/1051351928.db2.gz KNALAXWGRWPLOC-IAGOWNOFSA-N 1 1 338.289 4.303 20 30 EIEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122402 1051358901 /nfs/dbraw/zinc/35/89/01/1051358901.db2.gz QCRITJYCDNYNEZ-IBGZPJMESA-N 1 1 341.499 4.205 20 30 EIEDMO C#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020939 1051384489 /nfs/dbraw/zinc/38/44/89/1051384489.db2.gz QTSJZPHLQFOKCT-VXKWHMMOSA-N 1 1 348.465 4.287 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000775454914 1051453178 /nfs/dbraw/zinc/45/31/78/1051453178.db2.gz OSISGJDFELOITF-UHFFFAOYSA-N 1 1 330.790 4.160 20 30 EIEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175263149 1051502000 /nfs/dbraw/zinc/50/20/00/1051502000.db2.gz BUESVLAEFLQZHA-LJQANCHMSA-N 1 1 328.500 4.102 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646449 1051508513 /nfs/dbraw/zinc/50/85/13/1051508513.db2.gz NGMFEEYLUBEXKN-QFIPXVFZSA-N 1 1 344.458 4.148 20 30 EIEDMO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC001175418120 1051581335 /nfs/dbraw/zinc/58/13/35/1051581335.db2.gz FKWHZNTXGZIIKF-IBGZPJMESA-N 1 1 343.833 4.343 20 30 EIEDMO COc1cc(C[N@H+](C)CC#Cc2ccc(F)cc2)ccc1SC ZINC000157160105 1051608255 /nfs/dbraw/zinc/60/82/55/1051608255.db2.gz SXPFMABUELXLFB-UHFFFAOYSA-N 1 1 329.440 4.040 20 30 EIEDMO COc1cc(C[N@@H+](C)CC#Cc2ccc(F)cc2)ccc1SC ZINC000157160105 1051608270 /nfs/dbraw/zinc/60/82/70/1051608270.db2.gz SXPFMABUELXLFB-UHFFFAOYSA-N 1 1 329.440 4.040 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 ZINC000080914810 1051616815 /nfs/dbraw/zinc/61/68/15/1051616815.db2.gz NHZATUCNLUKEKR-GFCCVEGCSA-N 1 1 337.814 4.274 20 30 EIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC001192108123 1051633018 /nfs/dbraw/zinc/63/30/18/1051633018.db2.gz QYGNWEJQPRWZGM-OAQYLSRUSA-N 1 1 349.478 4.230 20 30 EIEDMO N#Cc1c(F)cc(F)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175507889 1051642371 /nfs/dbraw/zinc/64/23/71/1051642371.db2.gz XUKSKEPYZWFXBD-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172327 1051644302 /nfs/dbraw/zinc/64/43/02/1051644302.db2.gz BGMWAEDQKIBEAG-RDTXWAMCSA-N 1 1 347.890 4.441 20 30 EIEDMO C#CC(C)(C)C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001182638373 1051656833 /nfs/dbraw/zinc/65/68/33/1051656833.db2.gz RIRIMZPKLJTCPM-UHFFFAOYSA-N 1 1 345.446 4.360 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175580206 1051675894 /nfs/dbraw/zinc/67/58/94/1051675894.db2.gz XBUHVBZPVHVEOD-OALUTQOASA-N 1 1 348.531 4.292 20 30 EIEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001175935427 1051847386 /nfs/dbraw/zinc/84/73/86/1051847386.db2.gz NELSTCRQPNXTRJ-CYBMUJFWSA-N 1 1 347.178 4.095 20 30 EIEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001175935427 1051847390 /nfs/dbraw/zinc/84/73/90/1051847390.db2.gz NELSTCRQPNXTRJ-CYBMUJFWSA-N 1 1 347.178 4.095 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC001183481689 1051850361 /nfs/dbraw/zinc/85/03/61/1051850361.db2.gz HJEULEGHVNVCHE-MRXNPFEDSA-N 1 1 338.426 4.476 20 30 EIEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001193066223 1051860253 /nfs/dbraw/zinc/86/02/53/1051860253.db2.gz ABZCRGLRBBAFKU-FQEVSTJZSA-N 1 1 335.407 4.064 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000775578353 1051873016 /nfs/dbraw/zinc/87/30/16/1051873016.db2.gz VYTIWHNDGQWEDZ-DJJJIMSYSA-N 1 1 346.833 4.467 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385353 1051915196 /nfs/dbraw/zinc/91/51/96/1051915196.db2.gz UMJAHUONTDPVOH-CHWSQXEVSA-N 1 1 332.271 4.020 20 30 EIEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC001203269813 1051918493 /nfs/dbraw/zinc/91/84/93/1051918493.db2.gz DMGCYVQLJUNLTA-SFHVURJKSA-N 1 1 348.918 4.116 20 30 EIEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC001203269813 1051918498 /nfs/dbraw/zinc/91/84/98/1051918498.db2.gz DMGCYVQLJUNLTA-SFHVURJKSA-N 1 1 348.918 4.116 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)ccc1C#N ZINC001183863397 1051918914 /nfs/dbraw/zinc/91/89/14/1051918914.db2.gz DEMSEWUYGKIXMB-KRWDZBQOSA-N 1 1 337.492 4.192 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC[C@H](C)C2)c1 ZINC001193516536 1051942704 /nfs/dbraw/zinc/94/27/04/1051942704.db2.gz CYDUJDALETUSQH-LPHOPBHVSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc(F)cc2F)C1 ZINC001184217247 1051968210 /nfs/dbraw/zinc/96/82/10/1051968210.db2.gz CYFAKLUKRIEEOV-XUWXXGDYSA-N 1 1 331.410 4.122 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nc(Cc3cccc(F)c3)no2)CCCC1(C)C ZINC001193920991 1052029444 /nfs/dbraw/zinc/02/94/44/1052029444.db2.gz SHZBTIHKBFSIEH-QGZVFWFLSA-N 1 1 343.446 4.366 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001193957477 1052031661 /nfs/dbraw/zinc/03/16/61/1052031661.db2.gz YMCXCOQNKFWMJW-LGYWMIHWSA-N 1 1 345.914 4.343 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001193943377 1052044111 /nfs/dbraw/zinc/04/41/11/1052044111.db2.gz VSHDEAOWPNTLHM-IBGZPJMESA-N 1 1 329.484 4.423 20 30 EIEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194073810 1052070991 /nfs/dbraw/zinc/07/09/91/1052070991.db2.gz LPWPEJBOYFEIGT-HXUWFJFHSA-N 1 1 334.463 4.434 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001176554334 1052131733 /nfs/dbraw/zinc/13/17/33/1052131733.db2.gz COOFPEXBXJRQED-OAHLLOKOSA-N 1 1 341.263 4.092 20 30 EIEDMO Cc1ccc(C)c(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC001176805016 1052194812 /nfs/dbraw/zinc/19/48/12/1052194812.db2.gz VIYZAUNFEYZNNC-UHFFFAOYSA-N 1 1 349.434 4.463 20 30 EIEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814694 1052196427 /nfs/dbraw/zinc/19/64/27/1052196427.db2.gz PAJCWQMIUSOMSS-FUHWJXTLSA-N 1 1 336.435 4.456 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001176814694 1052196434 /nfs/dbraw/zinc/19/64/34/1052196434.db2.gz PAJCWQMIUSOMSS-FUHWJXTLSA-N 1 1 336.435 4.456 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072869223 1052616233 /nfs/dbraw/zinc/61/62/33/1052616233.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072869223 1052616236 /nfs/dbraw/zinc/61/62/36/1052616236.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869223 1052616240 /nfs/dbraw/zinc/61/62/40/1052616240.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869223 1052616241 /nfs/dbraw/zinc/61/62/41/1052616241.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000182946103 1052956408 /nfs/dbraw/zinc/95/64/08/1052956408.db2.gz SZFXDAONZNYZLB-GOSISDBHSA-N 1 1 333.378 4.007 20 30 EIEDMO Cc1csc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000184264494 1052996196 /nfs/dbraw/zinc/99/61/96/1052996196.db2.gz XQZBHMREMMZFKU-GFCCVEGCSA-N 1 1 340.370 4.052 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850351928 1053124662 /nfs/dbraw/zinc/12/46/62/1053124662.db2.gz KAHCENBGGZFKJH-APWZRJJASA-N 1 1 342.487 4.423 20 30 EIEDMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764658238 1053249248 /nfs/dbraw/zinc/24/92/48/1053249248.db2.gz OFXDPXYAECXQMC-UHFFFAOYSA-N 1 1 347.821 4.152 20 30 EIEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764647947 1053251769 /nfs/dbraw/zinc/25/17/69/1053251769.db2.gz DHKURTOMZHGFFF-UHFFFAOYSA-N 1 1 343.858 4.321 20 30 EIEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001195083452 1053267348 /nfs/dbraw/zinc/26/73/48/1053267348.db2.gz BSZKBWRUUNLZQY-OAQYLSRUSA-N 1 1 333.479 4.140 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000764746710 1053288339 /nfs/dbraw/zinc/28/83/39/1053288339.db2.gz QNXWWWLTYOZUAP-WMZHIEFXSA-N 1 1 348.490 4.186 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001195257970 1053347870 /nfs/dbraw/zinc/34/78/70/1053347870.db2.gz LPWFVSBEFCMFSM-GOSISDBHSA-N 1 1 342.389 4.052 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001195277097 1053356900 /nfs/dbraw/zinc/35/69/00/1053356900.db2.gz DUYUGURMEQWQHA-WBVHZDCISA-N 1 1 347.890 4.297 20 30 EIEDMO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000764884021 1053357115 /nfs/dbraw/zinc/35/71/15/1053357115.db2.gz HZDPPCYUQGPKGH-UHFFFAOYSA-N 1 1 348.541 4.406 20 30 EIEDMO C=CCn1c(-c2cccs2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000764884021 1053357133 /nfs/dbraw/zinc/35/71/33/1053357133.db2.gz HZDPPCYUQGPKGH-UHFFFAOYSA-N 1 1 348.541 4.406 20 30 EIEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC001195349813 1053379571 /nfs/dbraw/zinc/37/95/71/1053379571.db2.gz DPNRCIWNBHBBEL-DLBZAZTESA-N 1 1 334.504 4.293 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1-c1ccc(C)cc1 ZINC001195707785 1053466587 /nfs/dbraw/zinc/46/65/87/1053466587.db2.gz KUGWCEGOPGNTSJ-FQEVSTJZSA-N 1 1 348.490 4.351 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289640 1053493919 /nfs/dbraw/zinc/49/39/19/1053493919.db2.gz CHWHZBRXXIXJIR-SJORKVTESA-N 1 1 336.907 4.200 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289640 1053493928 /nfs/dbraw/zinc/49/39/28/1053493928.db2.gz CHWHZBRXXIXJIR-SJORKVTESA-N 1 1 336.907 4.200 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289631 1053494702 /nfs/dbraw/zinc/49/47/02/1053494702.db2.gz CHWHZBRXXIXJIR-DLBZAZTESA-N 1 1 336.907 4.200 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289631 1053494707 /nfs/dbraw/zinc/49/47/07/1053494707.db2.gz CHWHZBRXXIXJIR-DLBZAZTESA-N 1 1 336.907 4.200 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)C)nc1C ZINC000338940038 1053495990 /nfs/dbraw/zinc/49/59/90/1053495990.db2.gz RUBIQTLXLTVFRO-UHFFFAOYSA-N 1 1 337.467 4.034 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000865462840 1053514161 /nfs/dbraw/zinc/51/41/61/1053514161.db2.gz CETHUENHRJMPFD-HNNXBMFYSA-N 1 1 343.496 4.411 20 30 EIEDMO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001196055501 1053564124 /nfs/dbraw/zinc/56/41/24/1053564124.db2.gz CMMNTDHZWJIGLB-QFIPXVFZSA-N 1 1 332.447 4.226 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCCO2 ZINC000852782204 1053613531 /nfs/dbraw/zinc/61/35/31/1053613531.db2.gz SFWHEAVPZLWCFF-ZDUSSCGKSA-N 1 1 326.827 4.387 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001196329089 1053640242 /nfs/dbraw/zinc/64/02/42/1053640242.db2.gz LGBPZLIIYDPWPK-HDICACEKSA-N 1 1 334.504 4.207 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001196358664 1053651168 /nfs/dbraw/zinc/65/11/68/1053651168.db2.gz VUVWYUCGLDUBHQ-UHFFFAOYSA-N 1 1 330.472 4.057 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001196358664 1053651171 /nfs/dbraw/zinc/65/11/71/1053651171.db2.gz VUVWYUCGLDUBHQ-UHFFFAOYSA-N 1 1 330.472 4.057 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1O ZINC000866220494 1053654456 /nfs/dbraw/zinc/65/44/56/1053654456.db2.gz HLSKHEOOPRMYKX-VXGBXAGGSA-N 1 1 332.350 4.277 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCOc1ccc(C#N)cc1)CCC2 ZINC000111310752 1053675167 /nfs/dbraw/zinc/67/51/67/1053675167.db2.gz CRLHZXLQXWLJQH-SFHVURJKSA-N 1 1 341.480 4.102 20 30 EIEDMO COC[C@@H](C)[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646622 1053715274 /nfs/dbraw/zinc/71/52/74/1053715274.db2.gz MUGAEUTZXRKTNC-VFNWGFHPSA-N 1 1 338.426 4.222 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121937347 1053861876 /nfs/dbraw/zinc/86/18/76/1053861876.db2.gz NQTZFUBXFKFPNY-MOPGFXCFSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121937347 1053861878 /nfs/dbraw/zinc/86/18/78/1053861878.db2.gz NQTZFUBXFKFPNY-MOPGFXCFSA-N 1 1 342.414 4.159 20 30 EIEDMO CCCCCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC001197317411 1053871853 /nfs/dbraw/zinc/87/18/53/1053871853.db2.gz SWTGEYQCBLLGDR-GOSISDBHSA-N 1 1 331.504 4.483 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1cccnc1 ZINC000130776383 1053872442 /nfs/dbraw/zinc/87/24/42/1053872442.db2.gz CZMWGNXTSMMRCS-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC001197921517 1054023759 /nfs/dbraw/zinc/02/37/59/1054023759.db2.gz VOLGKFDRLVRQGY-CQSZACIVSA-N 1 1 331.872 4.123 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@H]1CCCc2ccccc21 ZINC001198104923 1054079189 /nfs/dbraw/zinc/07/91/89/1054079189.db2.gz VPYZTPXCZWAHID-QFIPXVFZSA-N 1 1 346.474 4.255 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@H]1CCCc2ccccc21 ZINC001198104923 1054079202 /nfs/dbraw/zinc/07/92/02/1054079202.db2.gz VPYZTPXCZWAHID-QFIPXVFZSA-N 1 1 346.474 4.255 20 30 EIEDMO CC1(C)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001198202835 1054094587 /nfs/dbraw/zinc/09/45/87/1054094587.db2.gz ROPZTJHMDLHNSS-SFTDATJTSA-N 1 1 334.463 4.107 20 30 EIEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC001198666909 1054229017 /nfs/dbraw/zinc/22/90/17/1054229017.db2.gz GWYVIFWAAAEJNN-ZJPYXAASSA-N 1 1 334.504 4.149 20 30 EIEDMO C#CCOc1cccc(Cl)c1CNCCC[N@H+](C)C1CCCCC1 ZINC001198919251 1054303602 /nfs/dbraw/zinc/30/36/02/1054303602.db2.gz VFUBNFOLVQCUBN-UHFFFAOYSA-N 1 1 348.918 4.096 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H](C)c2cc(O)ccc2F)cc(OC)c1OC ZINC000872048056 1054361065 /nfs/dbraw/zinc/36/10/65/1054361065.db2.gz WYXDEXLNXGYVMZ-ZDUSSCGKSA-N 1 1 345.414 4.128 20 30 EIEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C(C)C ZINC001199197090 1054362552 /nfs/dbraw/zinc/36/25/52/1054362552.db2.gz FJVZRYOKWCJXMN-OAHLLOKOSA-N 1 1 342.314 4.177 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001168580843 1054495661 /nfs/dbraw/zinc/49/56/61/1054495661.db2.gz QUJOCALLNSLICV-UHFFFAOYSA-N 1 1 333.815 4.072 20 30 EIEDMO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000776153944 1054748127 /nfs/dbraw/zinc/74/81/27/1054748127.db2.gz KZEQQKJCPLFHPM-UTKZUKDTSA-N 1 1 343.515 4.140 20 30 EIEDMO Cc1cc(NCc2csc(C#N)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC001201618173 1054865602 /nfs/dbraw/zinc/86/56/02/1054865602.db2.gz NIZLHIQLDRXXMF-AWEZNQCLSA-N 1 1 326.469 4.314 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001201762828 1054899236 /nfs/dbraw/zinc/89/92/36/1054899236.db2.gz XCHAVWDAWQDTBP-SFTDATJTSA-N 1 1 330.516 4.464 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001201762313 1054899719 /nfs/dbraw/zinc/89/97/19/1054899719.db2.gz FNEHDAFYVJCODV-PWRODBHTSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001201797712 1054909918 /nfs/dbraw/zinc/90/99/18/1054909918.db2.gz DICSOBQLRODGBM-SFHVURJKSA-N 1 1 337.529 4.240 20 30 EIEDMO CCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776524 1054914317 /nfs/dbraw/zinc/91/43/17/1054914317.db2.gz DZZOWWMAOOIBKB-OAQYLSRUSA-N 1 1 343.515 4.009 20 30 EIEDMO CCCCCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001201874673 1054941939 /nfs/dbraw/zinc/94/19/39/1054941939.db2.gz CGGMHKDHVOAYDO-LDLYASANSA-N 1 1 334.548 4.364 20 30 EIEDMO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000876722562 1054950461 /nfs/dbraw/zinc/95/04/61/1054950461.db2.gz YJHDOBPDPIWPTD-UHFFFAOYSA-N 1 1 341.842 4.257 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201974188 1054973587 /nfs/dbraw/zinc/97/35/87/1054973587.db2.gz WLPUCNYMFDGYPS-SFHVURJKSA-N 1 1 345.531 4.253 20 30 EIEDMO N#Cc1ccc(F)c(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067021 1055010862 /nfs/dbraw/zinc/01/08/62/1055010862.db2.gz AGPVFITUFNHFJZ-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067021 1055010880 /nfs/dbraw/zinc/01/08/80/1055010880.db2.gz AGPVFITUFNHFJZ-DENIHFKCSA-N 1 1 349.453 4.155 20 30 EIEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877079971 1055013726 /nfs/dbraw/zinc/01/37/26/1055013726.db2.gz MQXRZRJGHVOZGE-QGZVFWFLSA-N 1 1 343.858 4.492 20 30 EIEDMO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137122882 1055085106 /nfs/dbraw/zinc/08/51/06/1055085106.db2.gz XGPBHRNKSDLIMR-HXUWFJFHSA-N 1 1 336.435 4.072 20 30 EIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137122882 1055085109 /nfs/dbraw/zinc/08/51/09/1055085109.db2.gz XGPBHRNKSDLIMR-HXUWFJFHSA-N 1 1 336.435 4.072 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000877622650 1055092937 /nfs/dbraw/zinc/09/29/37/1055092937.db2.gz RWNBQFACCABKII-HNNXBMFYSA-N 1 1 329.444 4.159 20 30 EIEDMO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877808020 1055126020 /nfs/dbraw/zinc/12/60/20/1055126020.db2.gz WIHRBSDEOJLXCO-UHFFFAOYSA-N 1 1 329.831 4.074 20 30 EIEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877905006 1055149508 /nfs/dbraw/zinc/14/95/08/1055149508.db2.gz VLYRXUROLFOXAO-LJQANCHMSA-N 1 1 326.465 4.011 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000877960772 1055163057 /nfs/dbraw/zinc/16/30/57/1055163057.db2.gz BOTGYPVUIOUUBN-VQTJNVASSA-N 1 1 338.476 4.326 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878000426 1055171626 /nfs/dbraw/zinc/17/16/26/1055171626.db2.gz CEXWYMVFZWVSSM-QHCPKHFHSA-N 1 1 346.474 4.158 20 30 EIEDMO CCS[C@@H]1CCCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098685 1055186933 /nfs/dbraw/zinc/18/69/33/1055186933.db2.gz ZVINPORAKGYRIH-WOJBJXKFSA-N 1 1 344.524 4.035 20 30 EIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151406 1055196389 /nfs/dbraw/zinc/19/63/89/1055196389.db2.gz QHCJYSNRFIZWDF-VAMGGRTRSA-N 1 1 344.524 4.033 20 30 EIEDMO C=CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000111258431 1055218879 /nfs/dbraw/zinc/21/88/79/1055218879.db2.gz YYCBERWPAXHRHL-UHFFFAOYSA-N 1 1 346.780 4.195 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]([C@@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267629 1055224614 /nfs/dbraw/zinc/22/46/14/1055224614.db2.gz CSXNVENAWFACBN-HRAATJIYSA-N 1 1 336.435 4.246 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]([C@@H](C)c1ccco1)C1CC1)c1ccccc1 ZINC000878267629 1055224632 /nfs/dbraw/zinc/22/46/32/1055224632.db2.gz CSXNVENAWFACBN-HRAATJIYSA-N 1 1 336.435 4.246 20 30 EIEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000765816130 1055516423 /nfs/dbraw/zinc/51/64/23/1055516423.db2.gz HXUTWORXGNRDQJ-UGSOOPFHSA-N 1 1 326.419 4.203 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273358708 1055780595 /nfs/dbraw/zinc/78/05/95/1055780595.db2.gz CHPCYEKXEIHZPP-MAUKXSAKSA-N 1 1 330.428 4.111 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2cc(C)cnc2Cl)cc(OC)c1OC ZINC000921692935 1055890451 /nfs/dbraw/zinc/89/04/51/1055890451.db2.gz CPGGTCCJGOLDJA-UHFFFAOYSA-N 1 1 346.858 4.079 20 30 EIEDMO N#Cc1cc(F)c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000301070324 1055894124 /nfs/dbraw/zinc/89/41/24/1055894124.db2.gz BNKGJERYFIZAGV-CYBMUJFWSA-N 1 1 347.434 4.222 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nc(C(F)(F)F)ccc1C#N ZINC000301300302 1055919357 /nfs/dbraw/zinc/91/93/57/1055919357.db2.gz QRGNNDAOCXRRKU-CYBMUJFWSA-N 1 1 340.393 4.039 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000301433551 1055937051 /nfs/dbraw/zinc/93/70/51/1055937051.db2.gz RGMYDAWWHOFBIH-UGSOOPFHSA-N 1 1 329.444 4.254 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301565028 1055950828 /nfs/dbraw/zinc/95/08/28/1055950828.db2.gz YYZIHXNJJHMQLB-UHFFFAOYSA-N 1 1 336.483 4.055 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301693879 1055970935 /nfs/dbraw/zinc/97/09/35/1055970935.db2.gz YXSYDYDDEXVEIV-OAHLLOKOSA-N 1 1 346.906 4.088 20 30 EIEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C#N)nc3ccccc32)c1 ZINC000301986938 1056005430 /nfs/dbraw/zinc/00/54/30/1056005430.db2.gz MXGORUZAKLUYLH-UHFFFAOYSA-N 1 1 330.435 4.170 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041452 1056010365 /nfs/dbraw/zinc/01/03/65/1056010365.db2.gz LOKBSJAGQZBDRD-MJGOQNOKSA-N 1 1 348.494 4.197 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000302135766 1056021403 /nfs/dbraw/zinc/02/14/03/1056021403.db2.gz ZYYSKDHKJXYLRW-IERDGZPVSA-N 1 1 347.462 4.083 20 30 EIEDMO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412336 1056103629 /nfs/dbraw/zinc/10/36/29/1056103629.db2.gz PJXBQWZJSGYKAT-VGOFRKELSA-N 1 1 333.479 4.045 20 30 EIEDMO CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412336 1056103702 /nfs/dbraw/zinc/10/37/02/1056103702.db2.gz PJXBQWZJSGYKAT-VGOFRKELSA-N 1 1 333.479 4.045 20 30 EIEDMO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412336 1056103740 /nfs/dbraw/zinc/10/37/40/1056103740.db2.gz PJXBQWZJSGYKAT-VGOFRKELSA-N 1 1 333.479 4.045 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000303141478 1056140486 /nfs/dbraw/zinc/14/04/86/1056140486.db2.gz QCKZAXYQVYCBDF-HNNXBMFYSA-N 1 1 325.843 4.095 20 30 EIEDMO C=CC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccncc1 ZINC000921746893 1056408713 /nfs/dbraw/zinc/40/87/13/1056408713.db2.gz JFBWENJDJWHHKT-GFCCVEGCSA-N 1 1 338.274 4.016 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000111261340 1056778760 /nfs/dbraw/zinc/77/87/60/1056778760.db2.gz RABRLUQRVVDERX-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCC(F)(F)F ZINC000075596158 1056798568 /nfs/dbraw/zinc/79/85/68/1056798568.db2.gz SVOYESGBUSMYOW-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)[C@H](C)C(C)C)c1=S ZINC000742550010 1058669917 /nfs/dbraw/zinc/66/99/17/1058669917.db2.gz KFTAYGIKZDKBKA-CQSZACIVSA-N 1 1 334.489 4.184 20 30 EIEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)[C@H](C)C(C)C)c1=S ZINC000742550010 1058669924 /nfs/dbraw/zinc/66/99/24/1058669924.db2.gz KFTAYGIKZDKBKA-CQSZACIVSA-N 1 1 334.489 4.184 20 30 EIEDMO CCCCCC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000743450178 1058998765 /nfs/dbraw/zinc/99/87/65/1058998765.db2.gz HDKXASDZBQPPQB-ZWKOTPCHSA-N 1 1 330.520 4.228 20 30 EIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC000743853646 1059154824 /nfs/dbraw/zinc/15/48/24/1059154824.db2.gz BFULAPLSNJBEOA-QFIPXVFZSA-N 1 1 349.478 4.230 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000746125375 1060037098 /nfs/dbraw/zinc/03/70/98/1060037098.db2.gz HDCRKKPQJOCCRH-FVJLSDCUSA-N 1 1 347.462 4.153 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1C ZINC001169285771 1060743728 /nfs/dbraw/zinc/74/37/28/1060743728.db2.gz XVFWPEGEAVKZJK-CXAGYDPISA-N 1 1 333.863 4.051 20 30 EIEDMO C=CC[N@H+](C[C@@H](C)C(C)(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293358 1060752952 /nfs/dbraw/zinc/75/29/52/1060752952.db2.gz UIDKVBPYFIEBEN-IEBWSBKVSA-N 1 1 331.500 4.331 20 30 EIEDMO C=CC[N@@H+](C[C@@H](C)C(C)(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293358 1060752965 /nfs/dbraw/zinc/75/29/65/1060752965.db2.gz UIDKVBPYFIEBEN-IEBWSBKVSA-N 1 1 331.500 4.331 20 30 EIEDMO N#CC12CCC(Nc3nc(N4Cc5ccccc5C4)cc[nH+]3)(CC1)CC2 ZINC001169747735 1060926663 /nfs/dbraw/zinc/92/66/63/1060926663.db2.gz DAYGGLSRXSOGEF-UHFFFAOYSA-N 1 1 345.450 4.025 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCCC1(C)C ZINC001169845819 1060997545 /nfs/dbraw/zinc/99/75/45/1060997545.db2.gz WOQTXOKPPLOXEN-GOSISDBHSA-N 1 1 344.890 4.487 20 30 EIEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855134 1061001453 /nfs/dbraw/zinc/00/14/53/1061001453.db2.gz XHMTXXHOLJSOBH-QAPCUYQASA-N 1 1 335.407 4.153 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000766895725 1061055349 /nfs/dbraw/zinc/05/53/49/1061055349.db2.gz RGRZZSITHBMPRS-UHFFFAOYSA-N 1 1 337.467 4.043 20 30 EIEDMO N#Cc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532243985 1032121123 /nfs/dbraw/zinc/12/11/23/1032121123.db2.gz QSDWFWGEHRNBBH-PKTZIBPZSA-N 1 1 345.490 4.045 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000729681930 1032131476 /nfs/dbraw/zinc/13/14/76/1032131476.db2.gz OGHFPHJYKFTMJN-UHFFFAOYSA-N 1 1 342.277 4.118 20 30 EIEDMO Cc1cc(Br)sc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236834059 1050319302 /nfs/dbraw/zinc/31/93/02/1050319302.db2.gz REVMXWUHTUKRPY-CNDDSTCGSA-N 1 1 325.275 4.086 20 30 EIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC001211975935 1032269755 /nfs/dbraw/zinc/26/97/55/1032269755.db2.gz UUJCRODALXBIKO-MSOLQXFVSA-N 1 1 343.471 4.123 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000532927293 1032393243 /nfs/dbraw/zinc/39/32/43/1032393243.db2.gz NIMMEIXXNWKKNH-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532973256 1032430280 /nfs/dbraw/zinc/43/02/80/1032430280.db2.gz RCQWJUPBPRLXII-GOSISDBHSA-N 1 1 327.472 4.178 20 30 EIEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177152999 1032488230 /nfs/dbraw/zinc/48/82/30/1032488230.db2.gz GZMNAFQMQDPPJZ-GOSISDBHSA-N 1 1 339.401 4.338 20 30 EIEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000302817815 1032512397 /nfs/dbraw/zinc/51/23/97/1032512397.db2.gz SDWBDLDXFGKUGJ-UHFFFAOYSA-N 1 1 337.467 4.392 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)C(C)C ZINC000533256567 1032568773 /nfs/dbraw/zinc/56/87/73/1032568773.db2.gz SDRYIXQZKZJBOC-HOTGVXAUSA-N 1 1 347.528 4.243 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Br)c2cccnc12)CC1CC1 ZINC000180076567 1032583888 /nfs/dbraw/zinc/58/38/88/1032583888.db2.gz YYFYBLXTVUOUIR-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Br)c2cccnc12)CC1CC1 ZINC000180076567 1032583899 /nfs/dbraw/zinc/58/38/99/1032583899.db2.gz YYFYBLXTVUOUIR-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533347968 1032657390 /nfs/dbraw/zinc/65/73/90/1032657390.db2.gz WREUGYNCBQYZFC-GOSISDBHSA-N 1 1 346.352 4.169 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533347968 1032657404 /nfs/dbraw/zinc/65/74/04/1032657404.db2.gz WREUGYNCBQYZFC-GOSISDBHSA-N 1 1 346.352 4.169 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCOC2)cc1 ZINC000533350155 1032681390 /nfs/dbraw/zinc/68/13/90/1032681390.db2.gz AQWCWUHCRRKPTL-FQEVSTJZSA-N 1 1 338.426 4.126 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186890652 1018926715 /nfs/dbraw/zinc/92/67/15/1018926715.db2.gz IBCAKIXWNLABJI-UHFFFAOYSA-N 1 1 332.806 4.384 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000064808633 1019375377 /nfs/dbraw/zinc/37/53/77/1019375377.db2.gz KJOOHJWUYIQNHH-UHFFFAOYSA-N 1 1 330.497 4.310 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000157563772 1019475107 /nfs/dbraw/zinc/47/51/07/1019475107.db2.gz YTKHODPHVUCGBX-QGZVFWFLSA-N 1 1 334.394 4.198 20 30 EIEDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000510117999 1019604472 /nfs/dbraw/zinc/60/44/72/1019604472.db2.gz GTSGWLWJYQOZOF-UHFFFAOYSA-N 1 1 348.874 4.013 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274816882 1019755632 /nfs/dbraw/zinc/75/56/32/1019755632.db2.gz ZJHHKFHHHPXGQA-GGPKGHCWSA-N 1 1 349.478 4.300 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001209442610 1020352704 /nfs/dbraw/zinc/35/27/04/1020352704.db2.gz ZGFBCTICUMJTJW-NRFANRHFSA-N 1 1 341.499 4.037 20 30 EIEDMO C=C(C)C[N@@H+](CCCc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512487120 1032894743 /nfs/dbraw/zinc/89/47/43/1032894743.db2.gz QOEYMERGZREYDE-UHFFFAOYSA-N 1 1 333.859 4.436 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC001167206174 1020550167 /nfs/dbraw/zinc/55/01/67/1020550167.db2.gz MJGPZSJIDPPTQS-SFHVURJKSA-N 1 1 345.364 4.426 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C(C)C ZINC001167227460 1020603628 /nfs/dbraw/zinc/60/36/28/1020603628.db2.gz QSPHXUCWOCVACQ-HXUWFJFHSA-N 1 1 332.463 4.070 20 30 EIEDMO CC1CC[NH+](C[C@H]2CCCN(CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254979 1020682678 /nfs/dbraw/zinc/68/26/78/1020682678.db2.gz CHCODQKQQOALRM-FQEVSTJZSA-N 1 1 331.548 4.294 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001167309514 1021017526 /nfs/dbraw/zinc/01/75/26/1021017526.db2.gz DDQBZSXZSSDXRE-KVZIAJEVSA-N 1 1 345.483 4.123 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000512511932 1032959214 /nfs/dbraw/zinc/95/92/14/1032959214.db2.gz NUFXWNUDZMEHMN-UHFFFAOYSA-N 1 1 337.448 4.060 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001167331964 1021184628 /nfs/dbraw/zinc/18/46/28/1021184628.db2.gz DSIZQAHSDGWDJD-NRFANRHFSA-N 1 1 334.463 4.282 20 30 EIEDMO CCC[N@H+]1CCc2c(N)sc(Nc3cc(Cl)cc(C#N)c3)c2C1 ZINC001210538019 1021199512 /nfs/dbraw/zinc/19/95/12/1021199512.db2.gz PJKCVFOUIYSIPU-UHFFFAOYSA-N 1 1 346.887 4.367 20 30 EIEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000180028786 1021376343 /nfs/dbraw/zinc/37/63/43/1021376343.db2.gz JADRXKUJHRDTQI-UHFFFAOYSA-N 1 1 332.407 4.014 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cc1 ZINC000180029837 1021377310 /nfs/dbraw/zinc/37/73/10/1021377310.db2.gz YBJOJRZPHOPYAL-UHFFFAOYSA-N 1 1 346.409 4.252 20 30 EIEDMO CC1CC[NH+](Cc2ccc(CNCc3cc(C#N)cs3)cc2)CC1 ZINC000177683031 1021438294 /nfs/dbraw/zinc/43/82/94/1021438294.db2.gz WYEZPZWBYOHLBX-UHFFFAOYSA-N 1 1 339.508 4.141 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)c(F)c1 ZINC000512516601 1032990585 /nfs/dbraw/zinc/99/05/85/1032990585.db2.gz IRMNLRPNRRKOQM-UHFFFAOYSA-N 1 1 331.435 4.190 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)c(F)c1 ZINC000512516601 1032990607 /nfs/dbraw/zinc/99/06/07/1032990607.db2.gz IRMNLRPNRRKOQM-UHFFFAOYSA-N 1 1 331.435 4.190 20 30 EIEDMO C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431814113 1021895468 /nfs/dbraw/zinc/89/54/68/1021895468.db2.gz OHDVWTIIEXEMFC-WMLDXEAASA-N 1 1 340.858 4.072 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1C)c1ccc(F)c(F)c1 ZINC000187792433 1022134461 /nfs/dbraw/zinc/13/44/61/1022134461.db2.gz MEFFDBDIVJAJCX-FQEVSTJZSA-N 1 1 344.405 4.427 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC001167429896 1022363027 /nfs/dbraw/zinc/36/30/27/1022363027.db2.gz NZCKXDCIABCHQB-UHFFFAOYSA-N 1 1 338.426 4.173 20 30 EIEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1Br ZINC000481058256 1022395169 /nfs/dbraw/zinc/39/51/69/1022395169.db2.gz NYPGKBFKMBKRGM-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954080 1022619443 /nfs/dbraw/zinc/61/94/43/1022619443.db2.gz POQOEVIMKKWVMC-NVXWUHKLSA-N 1 1 330.497 4.438 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000356303571 1022706332 /nfs/dbraw/zinc/70/63/32/1022706332.db2.gz OPPZPIRRVHVHKY-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000356303571 1022706347 /nfs/dbraw/zinc/70/63/47/1022706347.db2.gz OPPZPIRRVHVHKY-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000540976119 1022737603 /nfs/dbraw/zinc/73/76/03/1022737603.db2.gz SZDQMOBIKMPHOJ-CQSZACIVSA-N 1 1 339.414 4.287 20 30 EIEDMO Cc1ccc2c(c1)C(=O)/C(=C/c1nc3c(s1)C[N@H+](C(C)C)CC3)C2 ZINC000378636483 1022898674 /nfs/dbraw/zinc/89/86/74/1022898674.db2.gz JGRSXDRJSOVSRM-XNTDXEJSSA-N 1 1 338.476 4.040 20 30 EIEDMO Cc1ccc2c(c1)C(=O)/C(=C/c1nc3c(s1)C[N@@H+](C(C)C)CC3)C2 ZINC000378636483 1022898678 /nfs/dbraw/zinc/89/86/78/1022898678.db2.gz JGRSXDRJSOVSRM-XNTDXEJSSA-N 1 1 338.476 4.040 20 30 EIEDMO Cc1cccc(C(=O)/C=C/c2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000378639664 1022899840 /nfs/dbraw/zinc/89/98/40/1022899840.db2.gz SZOYLKVWHHFGSR-BQYQJAHWSA-N 1 1 326.465 4.114 20 30 EIEDMO Cc1cccc(C(=O)/C=C/c2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000378639664 1022899843 /nfs/dbraw/zinc/89/98/43/1022899843.db2.gz SZOYLKVWHHFGSR-BQYQJAHWSA-N 1 1 326.465 4.114 20 30 EIEDMO CC(C)[N@@H+]1CCc2nc(/C=C/C(=O)c3ccc(Cl)cc3)sc2C1 ZINC000378641892 1022906988 /nfs/dbraw/zinc/90/69/88/1022906988.db2.gz LXGMZEGTCLBZDB-BQYQJAHWSA-N 1 1 346.883 4.459 20 30 EIEDMO CC(C)[N@H+]1CCc2nc(/C=C/C(=O)c3ccc(Cl)cc3)sc2C1 ZINC000378641892 1022907011 /nfs/dbraw/zinc/90/70/11/1022907011.db2.gz LXGMZEGTCLBZDB-BQYQJAHWSA-N 1 1 346.883 4.459 20 30 EIEDMO C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000376544953 1022956802 /nfs/dbraw/zinc/95/68/02/1022956802.db2.gz GGEYCPZSOOJZRT-PBHICJAKSA-N 1 1 335.373 4.112 20 30 EIEDMO C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000376544953 1022956811 /nfs/dbraw/zinc/95/68/11/1022956811.db2.gz GGEYCPZSOOJZRT-PBHICJAKSA-N 1 1 335.373 4.112 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167461970 1023212593 /nfs/dbraw/zinc/21/25/93/1023212593.db2.gz XBYNRGCBRVMYMJ-CQSZACIVSA-N 1 1 333.863 4.217 20 30 EIEDMO C=CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000659824048 1023309980 /nfs/dbraw/zinc/30/99/80/1023309980.db2.gz YLMUCWVZAWXGNR-LJQANCHMSA-N 1 1 338.476 4.178 20 30 EIEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000749515251 1023352875 /nfs/dbraw/zinc/35/28/75/1023352875.db2.gz XSBQMOZOELPUCB-GOSISDBHSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000749515251 1023352887 /nfs/dbraw/zinc/35/28/87/1023352887.db2.gz XSBQMOZOELPUCB-GOSISDBHSA-N 1 1 328.362 4.182 20 30 EIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000477307353 1023574482 /nfs/dbraw/zinc/57/44/82/1023574482.db2.gz WVDAZZDJFZWHBZ-OAHLLOKOSA-N 1 1 343.496 4.348 20 30 EIEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001167749221 1023584456 /nfs/dbraw/zinc/58/44/56/1023584456.db2.gz BBAVXOJYJOIZAO-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO C=C(C)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001167749221 1023584463 /nfs/dbraw/zinc/58/44/63/1023584463.db2.gz BBAVXOJYJOIZAO-OAHLLOKOSA-N 1 1 327.255 4.363 20 30 EIEDMO Cc1cccc2c1C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC000759880660 1023769234 /nfs/dbraw/zinc/76/92/34/1023769234.db2.gz PXJRWRLUQFKMOJ-UHFFFAOYSA-N 1 1 326.827 4.109 20 30 EIEDMO Cc1cccc2c1C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC000759880660 1023769243 /nfs/dbraw/zinc/76/92/43/1023769243.db2.gz PXJRWRLUQFKMOJ-UHFFFAOYSA-N 1 1 326.827 4.109 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178961 1023781435 /nfs/dbraw/zinc/78/14/35/1023781435.db2.gz YAYHZWGQIVREAZ-NPPFBWRTSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178961 1023781444 /nfs/dbraw/zinc/78/14/44/1023781444.db2.gz YAYHZWGQIVREAZ-NPPFBWRTSA-N 1 1 333.479 4.262 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341578186 1023883624 /nfs/dbraw/zinc/88/36/24/1023883624.db2.gz XFQXASUDTJHQHW-MRXNPFEDSA-N 1 1 334.341 4.350 20 30 EIEDMO C=C(C)C[N@@H+](CCc1nsc2ccccc12)Cc1ccc(CO)o1 ZINC000660538263 1023896957 /nfs/dbraw/zinc/89/69/57/1023896957.db2.gz OFVLLNGNOOBUSX-UHFFFAOYSA-N 1 1 342.464 4.002 20 30 EIEDMO CCCOc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1F ZINC001211665641 1024035421 /nfs/dbraw/zinc/03/54/21/1024035421.db2.gz DMVWTIRITAOSDS-UHFFFAOYSA-N 1 1 345.443 4.279 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(OC(F)F)c1 ZINC000610613640 1024320029 /nfs/dbraw/zinc/32/00/29/1024320029.db2.gz WDDOWHBNAXDNAJ-QGZVFWFLSA-N 1 1 344.361 4.202 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(OC(F)F)c1 ZINC000610613640 1024320050 /nfs/dbraw/zinc/32/00/50/1024320050.db2.gz WDDOWHBNAXDNAJ-QGZVFWFLSA-N 1 1 344.361 4.202 20 30 EIEDMO CC(C)(C)c1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000341695065 1024328548 /nfs/dbraw/zinc/32/85/48/1024328548.db2.gz BMLCUCFYXZPDTL-QGZVFWFLSA-N 1 1 325.481 4.479 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706048 1024367121 /nfs/dbraw/zinc/36/71/21/1024367121.db2.gz GCWBURPBKXDDKB-GOSISDBHSA-N 1 1 334.891 4.184 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc(C#N)ccn2)C1 ZINC000341722599 1024478117 /nfs/dbraw/zinc/47/81/17/1024478117.db2.gz OPBSYELMHIKHDT-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000341901267 1024976868 /nfs/dbraw/zinc/97/68/68/1024976868.db2.gz BYKXZBOYQKIDNS-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000341901267 1024976879 /nfs/dbraw/zinc/97/68/79/1024976879.db2.gz BYKXZBOYQKIDNS-UHFFFAOYSA-N 1 1 343.352 4.261 20 30 EIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000473177636 1025111923 /nfs/dbraw/zinc/11/19/23/1025111923.db2.gz NSLJAJXRLKENAJ-UHFFFAOYSA-N 1 1 337.854 4.103 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181286966 1025156209 /nfs/dbraw/zinc/15/62/09/1025156209.db2.gz CTXFKRDWPKCNPM-JTQLQIEISA-N 1 1 334.769 4.194 20 30 EIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181286966 1025156216 /nfs/dbraw/zinc/15/62/16/1025156216.db2.gz CTXFKRDWPKCNPM-JTQLQIEISA-N 1 1 334.769 4.194 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710329 1025159014 /nfs/dbraw/zinc/15/90/14/1025159014.db2.gz ZYIPPDSSVYBYGI-UKRRQHHQSA-N 1 1 343.452 4.015 20 30 EIEDMO C[N@@H+](Cc1ccccc1NCc1ccnc(C#N)c1)C1CCCCC1 ZINC000610956743 1025167514 /nfs/dbraw/zinc/16/75/14/1025167514.db2.gz YYPBOOKCPKLLPZ-UHFFFAOYSA-N 1 1 334.467 4.330 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610991249 1025220381 /nfs/dbraw/zinc/22/03/81/1025220381.db2.gz BDRCHQYLBRILIN-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499328 1025337193 /nfs/dbraw/zinc/33/71/93/1025337193.db2.gz GMIPXAYMWMAASO-UWJYYQICSA-N 1 1 347.462 4.012 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000519201635 1025592347 /nfs/dbraw/zinc/59/23/47/1025592347.db2.gz RLXGBYDIERLGGF-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)cc1C#N ZINC000569155385 1025605842 /nfs/dbraw/zinc/60/58/42/1025605842.db2.gz CYHCZYKIPCPGBB-UHFFFAOYSA-N 1 1 331.822 4.101 20 30 EIEDMO Cn1cc(C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)cc1C#N ZINC000569155385 1025605864 /nfs/dbraw/zinc/60/58/64/1025605864.db2.gz CYHCZYKIPCPGBB-UHFFFAOYSA-N 1 1 331.822 4.101 20 30 EIEDMO CCCOc1ccc(C[N@@H+](CCC)Cc2ccc(C#N)o2)cc1OC ZINC000506804607 1025778155 /nfs/dbraw/zinc/77/81/55/1025778155.db2.gz HOSCMAVEXHOQDK-UHFFFAOYSA-N 1 1 342.439 4.361 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000548615846 1025804124 /nfs/dbraw/zinc/80/41/24/1025804124.db2.gz PAQUBDHQKBQIJG-SFTDATJTSA-N 1 1 334.463 4.039 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000548615846 1025804134 /nfs/dbraw/zinc/80/41/34/1025804134.db2.gz PAQUBDHQKBQIJG-SFTDATJTSA-N 1 1 334.463 4.039 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187721239 1025843534 /nfs/dbraw/zinc/84/35/34/1025843534.db2.gz GKOXGXKDCULORC-CJNGLKHVSA-N 1 1 348.372 4.172 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000438128284 1025887080 /nfs/dbraw/zinc/88/70/80/1025887080.db2.gz OCSIQYNPYZMSPH-ZLNRFVROSA-N 1 1 346.474 4.442 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540276 1026000884 /nfs/dbraw/zinc/00/08/84/1026000884.db2.gz YDEWVGKERTUBIR-RTBURBONSA-N 1 1 330.447 4.257 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C ZINC000512154750 1026163540 /nfs/dbraw/zinc/16/35/40/1026163540.db2.gz OZSGYLRAOCENLY-HZPDHXFCSA-N 1 1 345.512 4.141 20 30 EIEDMO N#CCCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000582179320 1026311232 /nfs/dbraw/zinc/31/12/32/1026311232.db2.gz XBFSFVFXDQXQGH-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)nc1 ZINC000934350638 1026338664 /nfs/dbraw/zinc/33/86/64/1026338664.db2.gz WOAFGBRMSAIIHQ-HXUWFJFHSA-N 1 1 335.451 4.228 20 30 EIEDMO C=C(C)C[N@@H+](CCCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512197063 1026406554 /nfs/dbraw/zinc/40/65/54/1026406554.db2.gz RHENZVNIWDVMPU-UHFFFAOYSA-N 1 1 333.859 4.436 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000582329280 1026457142 /nfs/dbraw/zinc/45/71/42/1026457142.db2.gz ITAVKIZOEITPIJ-HXUWFJFHSA-N 1 1 345.490 4.125 20 30 EIEDMO C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590720 1026506974 /nfs/dbraw/zinc/50/69/74/1026506974.db2.gz BTMOUPTVOSIOHV-BPXKWBHBSA-N 1 1 337.511 4.178 20 30 EIEDMO C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590720 1026506979 /nfs/dbraw/zinc/50/69/79/1026506979.db2.gz BTMOUPTVOSIOHV-BPXKWBHBSA-N 1 1 337.511 4.178 20 30 EIEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000432559006 1026524430 /nfs/dbraw/zinc/52/44/30/1026524430.db2.gz QFSMGPPHUKJZTF-DOTOQJQBSA-N 1 1 349.544 4.033 20 30 EIEDMO CC(C)c1nnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000582395372 1026575141 /nfs/dbraw/zinc/57/51/41/1026575141.db2.gz JJJFODPOVYYEEQ-INIZCTEOSA-N 1 1 326.469 4.090 20 30 EIEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccc(OC)cc2)cc(OC)c1O ZINC000506995380 1026581896 /nfs/dbraw/zinc/58/18/96/1026581896.db2.gz QVRQKFHHCGTENJ-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1 ZINC000507187876 1026682380 /nfs/dbraw/zinc/68/23/80/1026682380.db2.gz MVMCPDZWNJTUQX-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112702891 1026692234 /nfs/dbraw/zinc/69/22/34/1026692234.db2.gz RUOIEUPHUXSUSQ-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112702891 1026692242 /nfs/dbraw/zinc/69/22/42/1026692242.db2.gz RUOIEUPHUXSUSQ-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@H]2CCc3ccc(-c4ccccc4)cc32)nn1 ZINC000657441421 1026697274 /nfs/dbraw/zinc/69/72/74/1026697274.db2.gz XUHGGKNGXXCGHI-QFIPXVFZSA-N 1 1 344.462 4.298 20 30 EIEDMO Cc1nsc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000339971382 1026863462 /nfs/dbraw/zinc/86/34/62/1026863462.db2.gz SNPWHLKDLXQYMF-CQSZACIVSA-N 1 1 340.496 4.310 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749602 1026868019 /nfs/dbraw/zinc/86/80/19/1026868019.db2.gz IXFZBMZIHNWPAT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277749602 1026868020 /nfs/dbraw/zinc/86/80/20/1026868020.db2.gz IXFZBMZIHNWPAT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277749602 1026868026 /nfs/dbraw/zinc/86/80/26/1026868026.db2.gz IXFZBMZIHNWPAT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(F)c1 ZINC000519728907 1026963658 /nfs/dbraw/zinc/96/36/58/1026963658.db2.gz ULDFHXHOJYPJQE-UHFFFAOYSA-N 1 1 338.304 4.015 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000520173748 1027275721 /nfs/dbraw/zinc/27/57/21/1027275721.db2.gz ZBENIRRPPOSYCK-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000520173748 1027275767 /nfs/dbraw/zinc/27/57/67/1027275767.db2.gz ZBENIRRPPOSYCK-UHFFFAOYSA-N 1 1 341.842 4.061 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000520227128 1027349847 /nfs/dbraw/zinc/34/98/47/1027349847.db2.gz GSRJLELGLRNZKP-UHFFFAOYSA-N 1 1 328.431 4.216 20 30 EIEDMO C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441259215 1027393208 /nfs/dbraw/zinc/39/32/08/1027393208.db2.gz UOPRGMIUUJAANH-JKSUJKDBSA-N 1 1 336.907 4.284 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)cc2)CC1 ZINC000896527215 1027548271 /nfs/dbraw/zinc/54/82/71/1027548271.db2.gz DDITXBPKGOACIJ-KRWDZBQOSA-N 1 1 337.492 4.153 20 30 EIEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3o2)C1 ZINC000329147205 1027609051 /nfs/dbraw/zinc/60/90/51/1027609051.db2.gz XQKUGDZYMLOOSA-HNNXBMFYSA-N 1 1 343.471 4.227 20 30 EIEDMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)nn1C(C)(C)C ZINC000329200783 1027646322 /nfs/dbraw/zinc/64/63/22/1027646322.db2.gz XKCORTARRAUQQI-OAHLLOKOSA-N 1 1 346.519 4.083 20 30 EIEDMO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237306709 1027688157 /nfs/dbraw/zinc/68/81/57/1027688157.db2.gz SFFRIDGQQOWJKK-UHFFFAOYSA-N 1 1 339.197 4.303 20 30 EIEDMO N#Cc1ccc(NCC[NH+]2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000609962233 1027695399 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EIEDMO C[N@@H+](Cc1cc(Br)ccc1C#N)[C@@H]1CCc2ccccc21 ZINC001141907860 1027808290 /nfs/dbraw/zinc/80/82/90/1027808290.db2.gz RGSGYSVZMVOZKC-GOSISDBHSA-N 1 1 341.252 4.440 20 30 EIEDMO CC1(C)CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)(C(N)=O)CC1 ZINC000328877117 1027824927 /nfs/dbraw/zinc/82/49/27/1027824927.db2.gz IJDQABISBYKBTL-OAHLLOKOSA-N 1 1 349.519 4.472 20 30 EIEDMO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1C(C)C ZINC000330391360 1027849809 /nfs/dbraw/zinc/84/98/09/1027849809.db2.gz HQMIKVXERLHWGG-ZIAGYGMSSA-N 1 1 347.503 4.074 20 30 EIEDMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1C(C)C ZINC000330398962 1027851105 /nfs/dbraw/zinc/85/11/05/1027851105.db2.gz RBNDZUVVMOCARE-KGLIPLIRSA-N 1 1 347.503 4.074 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000330896621 1027899571 /nfs/dbraw/zinc/89/95/71/1027899571.db2.gz LPRTXHRHOYAWFS-OAHLLOKOSA-N 1 1 347.459 4.108 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651736 1027918691 /nfs/dbraw/zinc/91/86/91/1027918691.db2.gz RVVZSOVAKMMHBC-KRWDZBQOSA-N 1 1 330.447 4.440 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651737 1027920711 /nfs/dbraw/zinc/92/07/11/1027920711.db2.gz RVVZSOVAKMMHBC-QGZVFWFLSA-N 1 1 330.447 4.440 20 30 EIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCC(C)(C)C#N ZINC000444642061 1027936166 /nfs/dbraw/zinc/93/61/66/1027936166.db2.gz QKQLVVPAVHOKDX-LJQANCHMSA-N 1 1 346.563 4.433 20 30 EIEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000444642061 1027936180 /nfs/dbraw/zinc/93/61/80/1027936180.db2.gz QKQLVVPAVHOKDX-LJQANCHMSA-N 1 1 346.563 4.433 20 30 EIEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444642061 1027936197 /nfs/dbraw/zinc/93/61/97/1027936197.db2.gz QKQLVVPAVHOKDX-LJQANCHMSA-N 1 1 346.563 4.433 20 30 EIEDMO COC(C)(C)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000583077938 1027962476 /nfs/dbraw/zinc/96/24/76/1027962476.db2.gz DTXADOSEMSRYKM-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/11/65/00/1028116500.db2.gz VOWAOTDDXGTUKB-FRRDWIJNSA-N 1 1 330.457 4.054 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000189351844 1028122073 /nfs/dbraw/zinc/12/20/73/1028122073.db2.gz MUJZDJHGAKUGCY-OAQYLSRUSA-N 1 1 348.425 4.205 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000329969136 1028169774 /nfs/dbraw/zinc/16/97/74/1028169774.db2.gz XCEKLMQFZJSFPF-UHFFFAOYSA-N 1 1 338.455 4.096 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)onc1-c1ccccc1C ZINC000330097357 1028201486 /nfs/dbraw/zinc/20/14/86/1028201486.db2.gz YHUUIEMOBNEMIV-MRXNPFEDSA-N 1 1 341.455 4.137 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000523564944 1028237736 /nfs/dbraw/zinc/23/77/36/1028237736.db2.gz DVZZJTQCXUDHSO-UHFFFAOYSA-N 1 1 328.500 4.491 20 30 EIEDMO COc1cccc2sc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)nc21 ZINC000330290672 1028268731 /nfs/dbraw/zinc/26/87/31/1028268731.db2.gz GAOTTYSDDGPIDA-LBPRGKRZSA-N 1 1 333.457 4.157 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(-n4ccnc4)cs3)CC2)cc1 ZINC000346169667 1028306192 /nfs/dbraw/zinc/30/61/92/1028306192.db2.gz MOBKVDZVGZFWMX-UHFFFAOYSA-N 1 1 346.459 4.095 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000150887949 1028458665 /nfs/dbraw/zinc/45/86/65/1028458665.db2.gz CLKSEGODHLCZFP-CYBMUJFWSA-N 1 1 333.501 4.341 20 30 EIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)ccc1Br ZINC001307481216 1028484572 /nfs/dbraw/zinc/48/45/72/1028484572.db2.gz ZZHDXJPKZMSEJS-MRRJBJDNSA-N 1 1 333.273 4.474 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1OCCCC#N ZINC000127379858 1028776411 /nfs/dbraw/zinc/77/64/11/1028776411.db2.gz MQRQDNPTWKUPQC-SFHVURJKSA-N 1 1 339.439 4.043 20 30 EIEDMO COc1cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)ccc1C#N ZINC000440832011 1028833248 /nfs/dbraw/zinc/83/32/48/1028833248.db2.gz OGGROOGAVSCLDX-GFCCVEGCSA-N 1 1 329.469 4.172 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000157011263 1028893200 /nfs/dbraw/zinc/89/32/00/1028893200.db2.gz CXLZJIOYZNMLGL-DYESRHJHSA-N 1 1 335.451 4.490 20 30 EIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347172178 1028893870 /nfs/dbraw/zinc/89/38/70/1028893870.db2.gz RBZQEKUWZYPVNO-GUYCJALGSA-N 1 1 343.377 4.138 20 30 EIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347172178 1028893872 /nfs/dbraw/zinc/89/38/72/1028893872.db2.gz RBZQEKUWZYPVNO-GUYCJALGSA-N 1 1 343.377 4.138 20 30 EIEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001125682555 1028893833 /nfs/dbraw/zinc/89/38/33/1028893833.db2.gz OVVUDEDUPVSEDI-FQEVSTJZSA-N 1 1 328.500 4.246 20 30 EIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc2C1 ZINC000281910263 1028935316 /nfs/dbraw/zinc/93/53/16/1028935316.db2.gz GKNOBQMILZEVPB-OAQYLSRUSA-N 1 1 340.511 4.356 20 30 EIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281991932 1029046127 /nfs/dbraw/zinc/04/61/27/1029046127.db2.gz MUNQSXVLNXDXBN-HXUWFJFHSA-N 1 1 328.500 4.349 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000583706376 1029060951 /nfs/dbraw/zinc/06/09/51/1029060951.db2.gz AZSBQDJUEILFRO-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000583706376 1029060972 /nfs/dbraw/zinc/06/09/72/1029060972.db2.gz AZSBQDJUEILFRO-UHFFFAOYSA-N 1 1 340.492 4.078 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000444220991 1029087501 /nfs/dbraw/zinc/08/75/01/1029087501.db2.gz CSIQZSLUMZTQHP-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000444220991 1029087515 /nfs/dbraw/zinc/08/75/15/1029087515.db2.gz CSIQZSLUMZTQHP-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000522981669 1029144002 /nfs/dbraw/zinc/14/40/02/1029144002.db2.gz AIYIQUUVOFNXAL-GOSISDBHSA-N 1 1 343.515 4.026 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000524907391 1029321998 /nfs/dbraw/zinc/32/19/98/1029321998.db2.gz BLSQPTGCPQWSFV-UHFFFAOYSA-N 1 1 344.480 4.226 20 30 EIEDMO CC[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000343492801 1029362591 /nfs/dbraw/zinc/36/25/91/1029362591.db2.gz CBKZUQUGBZWSEX-SJORKVTESA-N 1 1 332.806 4.125 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1OC ZINC000475288009 1029500792 /nfs/dbraw/zinc/50/07/92/1029500792.db2.gz QHJDFKPSCQRLTC-ZFWWWQNUSA-N 1 1 343.389 4.423 20 30 EIEDMO CCCc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000428449539 1029505430 /nfs/dbraw/zinc/50/54/30/1029505430.db2.gz UFQBIIBYVQVHKH-UHFFFAOYSA-N 1 1 325.456 4.465 20 30 EIEDMO CC(C)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCC1 ZINC000193211214 1029589044 /nfs/dbraw/zinc/58/90/44/1029589044.db2.gz CAMJPEQVPNYOCC-UHFFFAOYSA-N 1 1 337.467 4.248 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000080914770 1029757036 /nfs/dbraw/zinc/75/70/36/1029757036.db2.gz SWZGWUQJYZYCLA-ZDUSSCGKSA-N 1 1 347.378 4.134 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2noc(-c3cncc(C)c3)n2)CCCC1(C)C ZINC000450869357 1030059354 /nfs/dbraw/zinc/05/93/54/1030059354.db2.gz OACLGCONNLOYPC-MRXNPFEDSA-N 1 1 326.444 4.007 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2noc(-c3cncc(C)c3)n2)CCCC1(C)C ZINC000450869357 1030059374 /nfs/dbraw/zinc/05/93/74/1030059374.db2.gz OACLGCONNLOYPC-MRXNPFEDSA-N 1 1 326.444 4.007 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441256648 1030077862 /nfs/dbraw/zinc/07/78/62/1030077862.db2.gz NPIAYZSKOYBCBL-IBGZPJMESA-N 1 1 344.418 4.254 20 30 EIEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367383036 1030099495 /nfs/dbraw/zinc/09/94/95/1030099495.db2.gz AZGQXSDKDFYXOF-PXNSSMCTSA-N 1 1 346.902 4.033 20 30 EIEDMO C[C@@H](c1cccc(F)c1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000525948632 1030116497 /nfs/dbraw/zinc/11/64/97/1030116497.db2.gz CKZHCWSWNHHUNN-IRXDYDNUSA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000525948632 1030116522 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4.405 20 30 EIEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413890 1030476687 /nfs/dbraw/zinc/47/66/87/1030476687.db2.gz ZJARTGRUELYWFF-MFKMUULPSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413890 1030476699 /nfs/dbraw/zinc/47/66/99/1030476699.db2.gz ZJARTGRUELYWFF-MFKMUULPSA-N 1 1 348.315 4.322 20 30 EIEDMO N#CCCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000399280539 1030747566 /nfs/dbraw/zinc/74/75/66/1030747566.db2.gz ALTTYZAOICJIHW-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000530865845 1030772300 /nfs/dbraw/zinc/77/23/00/1030772300.db2.gz KSPAPEZZVLFPAF-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000530865845 1030772321 /nfs/dbraw/zinc/77/23/21/1030772321.db2.gz KSPAPEZZVLFPAF-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1Cl ZINC000548860031 1030855166 /nfs/dbraw/zinc/85/51/66/1030855166.db2.gz AEWOZQAFEQQHIC-UHFFFAOYSA-N 1 1 325.843 4.101 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729046 1030943777 /nfs/dbraw/zinc/94/37/77/1030943777.db2.gz DNWUDMLAOUTZQS-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729046 1030943799 /nfs/dbraw/zinc/94/37/99/1030943799.db2.gz DNWUDMLAOUTZQS-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000612165093 1031072145 /nfs/dbraw/zinc/07/21/45/1031072145.db2.gz IWPCZHRFMIYMER-KRWDZBQOSA-N 1 1 340.389 4.490 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463965 1031074149 /nfs/dbraw/zinc/07/41/49/1031074149.db2.gz MIVKXIURJZXAEE-SFHVURJKSA-N 1 1 346.478 4.491 20 30 EIEDMO C[C@H]([N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C ZINC000532490614 1031228708 /nfs/dbraw/zinc/22/87/08/1031228708.db2.gz CWMMBEXVDJWESV-HNNXBMFYSA-N 1 1 325.456 4.104 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1Br ZINC000120107173 1031328477 /nfs/dbraw/zinc/32/84/77/1031328477.db2.gz PFYBELYETPQXSL-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)Cc2cccc(C#N)c2)c(C)c1 ZINC000136477953 1031391089 /nfs/dbraw/zinc/39/10/89/1031391089.db2.gz UCKICQGUSQNXCR-UHFFFAOYSA-N 1 1 349.478 4.334 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000612406419 1031479802 /nfs/dbraw/zinc/47/98/02/1031479802.db2.gz LSYWVXDEMYQONJ-GOSISDBHSA-N 1 1 341.436 4.449 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000612406419 1031479815 /nfs/dbraw/zinc/47/98/15/1031479815.db2.gz LSYWVXDEMYQONJ-GOSISDBHSA-N 1 1 341.436 4.449 20 30 EIEDMO COc1cc(C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364875 1031660503 /nfs/dbraw/zinc/66/05/03/1031660503.db2.gz RTMDGZDGKJGLJY-YWPYICTPSA-N 1 1 326.362 4.118 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000612585922 1031679221 /nfs/dbraw/zinc/67/92/21/1031679221.db2.gz YCBFFFWOHSTCRS-UHFFFAOYSA-N 1 1 341.842 4.232 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000612585269 1031679549 /nfs/dbraw/zinc/67/95/49/1031679549.db2.gz UJGVGGUFDHYNTK-UHFFFAOYSA-N 1 1 330.435 4.179 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000528666943 1031758765 /nfs/dbraw/zinc/75/87/65/1031758765.db2.gz BGOYOXMBJJJTLR-LBPRGKRZSA-N 1 1 330.815 4.080 20 30 EIEDMO COCC[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000449551027 1031838961 /nfs/dbraw/zinc/83/89/61/1031838961.db2.gz FJRSTGHKBCAEOF-GOSISDBHSA-N 1 1 348.368 4.444 20 30 EIEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000528774983 1031845296 /nfs/dbraw/zinc/84/52/96/1031845296.db2.gz UNSBPSUZCQBLRI-OAHLLOKOSA-N 1 1 338.455 4.256 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc2ccccc21 ZINC000053017152 1032010432 /nfs/dbraw/zinc/01/04/32/1032010432.db2.gz DCWYUHVOZCPAIG-UHFFFAOYSA-N 1 1 349.459 4.234 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC000512557570 1033342209 /nfs/dbraw/zinc/34/22/09/1033342209.db2.gz UJWLHRSNCDTZAI-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413347 1033345125 /nfs/dbraw/zinc/34/51/25/1033345125.db2.gz VOQKNELQJCILPH-CJNGLKHVSA-N 1 1 340.389 4.093 20 30 EIEDMO CCC[C@@H](C#N)N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000410829986 1033399912 /nfs/dbraw/zinc/39/99/12/1033399912.db2.gz SVLRJQYFVNGKGE-NRFANRHFSA-N 1 1 349.478 4.083 20 30 EIEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512615492 1033498709 /nfs/dbraw/zinc/49/87/09/1033498709.db2.gz ZFBOFRZNFMSJOI-STQMWFEESA-N 1 1 328.387 4.126 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c(OC)c1 ZINC000614160038 1033528930 /nfs/dbraw/zinc/52/89/30/1033528930.db2.gz LFAQVFKXLNXHGC-UHFFFAOYSA-N 1 1 338.451 4.137 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512626125 1033541187 /nfs/dbraw/zinc/54/11/87/1033541187.db2.gz SCNSRGLKMYQQRK-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614176977 1033595523 /nfs/dbraw/zinc/59/55/23/1033595523.db2.gz DCJXZZWLPDQOAZ-UHFFFAOYSA-N 1 1 334.463 4.097 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649503 1033604667 /nfs/dbraw/zinc/60/46/67/1033604667.db2.gz SGFNFMLVBGUXFL-QFBILLFUSA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649503 1033604682 /nfs/dbraw/zinc/60/46/82/1033604682.db2.gz SGFNFMLVBGUXFL-QFBILLFUSA-N 1 1 337.442 4.013 20 30 EIEDMO N#CC1(CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)CCCCC1 ZINC000411294514 1033813853 /nfs/dbraw/zinc/81/38/53/1033813853.db2.gz MYEUVFZLJHWZKJ-HXUWFJFHSA-N 1 1 326.484 4.389 20 30 EIEDMO Cc1cnc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000433153813 1033943950 /nfs/dbraw/zinc/94/39/50/1033943950.db2.gz XNJOXCVBNDCFQB-UHFFFAOYSA-N 1 1 330.884 4.336 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000614401743 1034547230 /nfs/dbraw/zinc/54/72/30/1034547230.db2.gz BQQBAPVKASNUAQ-NRFANRHFSA-N 1 1 344.462 4.481 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000614401743 1034547256 /nfs/dbraw/zinc/54/72/56/1034547256.db2.gz BQQBAPVKASNUAQ-NRFANRHFSA-N 1 1 344.462 4.481 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513467552 1034969319 /nfs/dbraw/zinc/96/93/19/1034969319.db2.gz WVNKVDFQITVIFY-IBGZPJMESA-N 1 1 338.426 4.498 20 30 EIEDMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090539 1035371220 /nfs/dbraw/zinc/37/12/20/1035371220.db2.gz SNNPVHWIDOMLJM-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090539 1035371224 /nfs/dbraw/zinc/37/12/24/1035371224.db2.gz SNNPVHWIDOMLJM-LAUBAEHRSA-N 1 1 334.463 4.450 20 30 EIEDMO N#CC1(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000501542406 1035462590 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347.466 4.210 20 30 EIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C#N)c3ccccc3)C2)s1 ZINC000595477703 1035687288 /nfs/dbraw/zinc/68/72/88/1035687288.db2.gz SWKZSTLBJUWHFH-YLJYHZDGSA-N 1 1 339.508 4.075 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616084 1035747509 /nfs/dbraw/zinc/74/75/09/1035747509.db2.gz OVLRDGFMTFHLGT-ROUUACIJSA-N 1 1 347.462 4.306 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616084 1035747527 /nfs/dbraw/zinc/74/75/27/1035747527.db2.gz OVLRDGFMTFHLGT-ROUUACIJSA-N 1 1 347.462 4.306 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595615782 1035747678 /nfs/dbraw/zinc/74/76/78/1035747678.db2.gz NSQQNCBXIWDPKO-SFHVURJKSA-N 1 1 347.462 4.308 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786945 1035794997 /nfs/dbraw/zinc/79/49/97/1035794997.db2.gz CZFSVEWGFVXQTJ-QUCCMNQESA-N 1 1 326.484 4.269 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000595841952 1035796374 /nfs/dbraw/zinc/79/63/74/1035796374.db2.gz BAUUTWRRWDSMHO-KRWDZBQOSA-N 1 1 331.872 4.216 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000595841952 1035796401 /nfs/dbraw/zinc/79/64/01/1035796401.db2.gz BAUUTWRRWDSMHO-KRWDZBQOSA-N 1 1 331.872 4.216 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849716 1035798183 /nfs/dbraw/zinc/79/81/83/1035798183.db2.gz DFIVNMBFPSIHNC-KRWDZBQOSA-N 1 1 341.480 4.420 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1C#N ZINC000593125901 1035800551 /nfs/dbraw/zinc/80/05/51/1035800551.db2.gz QPRZBBTXCMWUFB-BVSLBCMMSA-N 1 1 348.446 4.061 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126977 1035805659 /nfs/dbraw/zinc/80/56/59/1035805659.db2.gz ZOUAHDFPRAHOBM-ONTIZHBOSA-N 1 1 348.446 4.061 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2C1 ZINC000597111180 1036107925 /nfs/dbraw/zinc/10/79/25/1036107925.db2.gz WOBRDRIPQBEPFU-UHFFFAOYSA-N 1 1 325.456 4.215 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2C1 ZINC000597111180 1036107957 /nfs/dbraw/zinc/10/79/57/1036107957.db2.gz WOBRDRIPQBEPFU-UHFFFAOYSA-N 1 1 325.456 4.215 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CCCN(c4ccccc4F)CC3)cc2)CC1 ZINC000597127938 1036112010 /nfs/dbraw/zinc/11/20/10/1036112010.db2.gz SDWBOZVSFBYOTF-UHFFFAOYSA-N 1 1 349.453 4.093 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597118296 1036114244 /nfs/dbraw/zinc/11/42/44/1036114244.db2.gz VNTXEESVYMIOOD-LJQANCHMSA-N 1 1 334.467 4.185 20 30 EIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597118296 1036114287 /nfs/dbraw/zinc/11/42/87/1036114287.db2.gz VNTXEESVYMIOOD-LJQANCHMSA-N 1 1 334.467 4.185 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000597137887 1036119137 /nfs/dbraw/zinc/11/91/37/1036119137.db2.gz HHKCOBNAFISZFQ-UXHICEINSA-N 1 1 336.479 4.023 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1OC ZINC000045004577 1036133167 /nfs/dbraw/zinc/13/31/67/1036133167.db2.gz XTMNFCJEDYVIRW-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1OC ZINC000045004577 1036133190 /nfs/dbraw/zinc/13/31/90/1036133190.db2.gz XTMNFCJEDYVIRW-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597176987 1036143232 /nfs/dbraw/zinc/14/32/32/1036143232.db2.gz LDFYNTLBOKYOJL-KRWDZBQOSA-N 1 1 349.482 4.186 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597177014 1036144292 /nfs/dbraw/zinc/14/42/92/1036144292.db2.gz LOILAWAYCVLKEA-ZDUSSCGKSA-N 1 1 348.372 4.221 20 30 EIEDMO C=CCc1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c(O)c(OC)c1 ZINC000164473154 1036165337 /nfs/dbraw/zinc/16/53/37/1036165337.db2.gz IFEHQGLJEUPTRC-UHFFFAOYSA-N 1 1 343.389 4.294 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000597224372 1036169981 /nfs/dbraw/zinc/16/99/81/1036169981.db2.gz HESLHERGAYBKTG-TZIWHRDSSA-N 1 1 342.483 4.150 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1CC1 ZINC000513746090 1036241225 /nfs/dbraw/zinc/24/12/25/1036241225.db2.gz NZVQNPAZHNESED-UHFFFAOYSA-N 1 1 341.436 4.449 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1CC1 ZINC000513746090 1036241249 /nfs/dbraw/zinc/24/12/49/1036241249.db2.gz NZVQNPAZHNESED-UHFFFAOYSA-N 1 1 341.436 4.449 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000502467405 1036242768 /nfs/dbraw/zinc/24/27/68/1036242768.db2.gz WCKXSSPESMHCMB-MRXNPFEDSA-N 1 1 340.492 4.424 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000502467405 1036242794 /nfs/dbraw/zinc/24/27/94/1036242794.db2.gz WCKXSSPESMHCMB-MRXNPFEDSA-N 1 1 340.492 4.424 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000502465269 1036243564 /nfs/dbraw/zinc/24/35/64/1036243564.db2.gz PYZGTYJTVURDOR-MRXNPFEDSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000502465269 1036243587 /nfs/dbraw/zinc/24/35/87/1036243587.db2.gz PYZGTYJTVURDOR-MRXNPFEDSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C(C)C ZINC000502500169 1036265249 /nfs/dbraw/zinc/26/52/49/1036265249.db2.gz UJXZOPVWYIBVQX-HXUWFJFHSA-N 1 1 339.479 4.238 20 30 EIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000421357600 1036331741 /nfs/dbraw/zinc/33/17/41/1036331741.db2.gz PJPURBUWHPXDPI-SFHVURJKSA-N 1 1 326.419 4.155 20 30 EIEDMO Cc1ccc(F)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000679335266 1036358109 /nfs/dbraw/zinc/35/81/09/1036358109.db2.gz KJGLEEUHZBWZMY-VXGBXAGGSA-N 1 1 329.259 4.307 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502751317 1036621209 /nfs/dbraw/zinc/62/12/09/1036621209.db2.gz SYSGUXBKCIQYDN-HKUYNNGSSA-N 1 1 343.446 4.070 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000598594347 1036707344 /nfs/dbraw/zinc/70/73/44/1036707344.db2.gz HTRDMDSNCPVZDL-QGZVFWFLSA-N 1 1 336.426 4.010 20 30 EIEDMO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594215 1036708876 /nfs/dbraw/zinc/70/88/76/1036708876.db2.gz ZVPVKZFTKADOMV-YPMHNXCESA-N 1 1 341.282 4.213 20 30 EIEDMO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594215 1036708902 /nfs/dbraw/zinc/70/89/02/1036708902.db2.gz ZVPVKZFTKADOMV-YPMHNXCESA-N 1 1 341.282 4.213 20 30 EIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000589336970 1036739831 /nfs/dbraw/zinc/73/98/31/1036739831.db2.gz PIBPUFATLGATBO-NZQKXSOJSA-N 1 1 345.490 4.047 20 30 EIEDMO C=CCCc1ccccc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000669675601 1036794205 /nfs/dbraw/zinc/79/42/05/1036794205.db2.gz VDTPXGNPLLAWSW-UHFFFAOYSA-N 1 1 349.478 4.364 20 30 EIEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000589984381 1036922074 /nfs/dbraw/zinc/92/20/74/1036922074.db2.gz QYBQLLIHLZXNOZ-WIYYLYMNSA-N 1 1 338.426 4.297 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC[C@H](C#N)C1 ZINC000590157706 1036990110 /nfs/dbraw/zinc/99/01/10/1036990110.db2.gz DEWJPPGAFSHOKT-WMLDXEAASA-N 1 1 327.403 4.037 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000590202941 1037009781 /nfs/dbraw/zinc/00/97/81/1037009781.db2.gz OHRYUACZLSWRMH-LJQANCHMSA-N 1 1 326.827 4.094 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000590202941 1037009793 /nfs/dbraw/zinc/00/97/93/1037009793.db2.gz OHRYUACZLSWRMH-LJQANCHMSA-N 1 1 326.827 4.094 20 30 EIEDMO COc1ccc2cc(C[N@@H+](C)CCOc3cccc(C#N)c3)ccc2c1 ZINC000603844653 1037036543 /nfs/dbraw/zinc/03/65/43/1037036543.db2.gz XTDGNPYUXPYIEE-UHFFFAOYSA-N 1 1 346.430 4.231 20 30 EIEDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000603859738 1037052144 /nfs/dbraw/zinc/05/21/44/1037052144.db2.gz OUHCDLSHHUPLNG-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cn2cc[nH+]c12 ZINC000590500828 1037078668 /nfs/dbraw/zinc/07/86/68/1037078668.db2.gz HQYFSDOGFVFYAJ-UHFFFAOYSA-N 1 1 345.189 4.074 20 30 EIEDMO C=CCC[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467303062 1037080912 /nfs/dbraw/zinc/08/09/12/1037080912.db2.gz RMXOSKNHMNMOLV-UHFFFAOYSA-N 1 1 336.435 4.154 20 30 EIEDMO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000599572674 1037080637 /nfs/dbraw/zinc/08/06/37/1037080637.db2.gz FBPVXQJZZNKTMM-HNNXBMFYSA-N 1 1 337.261 4.288 20 30 EIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCC(C)C)c1C#N ZINC000603900965 1037082677 /nfs/dbraw/zinc/08/26/77/1037082677.db2.gz OUCNBZNNHCMYAK-UHFFFAOYSA-N 1 1 344.503 4.008 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@](C)(Cc2ccccc2)c2ccccc2)nn1 ZINC000653763423 1037121379 /nfs/dbraw/zinc/12/13/79/1037121379.db2.gz JLPOTXYNMBSRQQ-JOCHJYFZSA-N 1 1 346.478 4.102 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000487869493 1037270880 /nfs/dbraw/zinc/27/08/80/1037270880.db2.gz LIHWDYVXZGZGQI-ZDUSSCGKSA-N 1 1 346.377 4.361 20 30 EIEDMO CCC(CC)[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000604434796 1037391909 /nfs/dbraw/zinc/39/19/09/1037391909.db2.gz KXMHACNWJOZITE-UHFFFAOYSA-N 1 1 341.499 4.203 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000488239198 1037446422 /nfs/dbraw/zinc/44/64/22/1037446422.db2.gz YJAGWLJRGWMKHA-SFHVURJKSA-N 1 1 330.472 4.153 20 30 EIEDMO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(OCC#N)cc1 ZINC000171768387 1037660898 /nfs/dbraw/zinc/66/08/98/1037660898.db2.gz UGQHIZFKLSDXBU-ZDUSSCGKSA-N 1 1 339.420 4.156 20 30 EIEDMO CCC1CCC([N@@H+](CCO)Cc2cccc(OCCCC#N)c2)CC1 ZINC000488578852 1037676352 /nfs/dbraw/zinc/67/63/52/1037676352.db2.gz HTAHFCUVSAUMQZ-UHFFFAOYSA-N 1 1 344.499 4.132 20 30 EIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573689011 1037684645 /nfs/dbraw/zinc/68/46/45/1037684645.db2.gz ZKWXNMMUBOJGHR-KRWDZBQOSA-N 1 1 339.395 4.106 20 30 EIEDMO C=CCCC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000605150383 1037693951 /nfs/dbraw/zinc/69/39/51/1037693951.db2.gz QISLZXRJKKOHSZ-IBGZPJMESA-N 1 1 327.468 4.256 20 30 EIEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccncc1C#N ZINC000592123512 1037737498 /nfs/dbraw/zinc/73/74/98/1037737498.db2.gz VTBFNLOCVLHQJO-CYBMUJFWSA-N 1 1 333.357 4.035 20 30 EIEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccncc1C#N ZINC000592123512 1037737515 /nfs/dbraw/zinc/73/75/15/1037737515.db2.gz VTBFNLOCVLHQJO-CYBMUJFWSA-N 1 1 333.357 4.035 20 30 EIEDMO CCCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ncsc2C1 ZINC000592187206 1037779935 /nfs/dbraw/zinc/77/99/35/1037779935.db2.gz IFFPECCJKWTELL-KRWDZBQOSA-N 1 1 325.481 4.174 20 30 EIEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573970744 1037798087 /nfs/dbraw/zinc/79/80/87/1037798087.db2.gz MTSMAOOYWKLTTP-UHFFFAOYSA-N 1 1 328.378 4.214 20 30 EIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000592788138 1037866888 /nfs/dbraw/zinc/86/68/88/1037866888.db2.gz KVHOKIYONWRIIT-LSWWBPAMSA-N 1 1 344.503 4.011 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)cccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000606433615 1038058931 /nfs/dbraw/zinc/05/89/31/1038058931.db2.gz QOMWUWRIQCZTIQ-SFHVURJKSA-N 1 1 347.466 4.028 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000489684617 1038189905 /nfs/dbraw/zinc/18/99/05/1038189905.db2.gz KMJFNVVIUJYRKF-QHAWAJNXSA-N 1 1 340.511 4.210 20 30 EIEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000593942240 1038202749 /nfs/dbraw/zinc/20/27/49/1038202749.db2.gz DGOOWBDTXFZSBF-MRXNPFEDSA-N 1 1 349.394 4.008 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2cccnc21 ZINC000063288277 1038208862 /nfs/dbraw/zinc/20/88/62/1038208862.db2.gz XGVLQRZUWXHUKE-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCC2)cc1 ZINC000594033364 1038235949 /nfs/dbraw/zinc/23/59/49/1038235949.db2.gz NVWJNEZREKRWHR-UHFFFAOYSA-N 1 1 341.798 4.289 20 30 EIEDMO C=C(C)COc1cc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1OC ZINC000594053254 1038241860 /nfs/dbraw/zinc/24/18/60/1038241860.db2.gz RFKILGWLAXYJLC-HDICACEKSA-N 1 1 346.515 4.003 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)ccc1OC ZINC000594053254 1038241875 /nfs/dbraw/zinc/24/18/75/1038241875.db2.gz RFKILGWLAXYJLC-HDICACEKSA-N 1 1 346.515 4.003 20 30 EIEDMO CCC[N@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490057366 1038325573 /nfs/dbraw/zinc/32/55/73/1038325573.db2.gz SRMHGDODFBHCPU-IBGZPJMESA-N 1 1 334.463 4.086 20 30 EIEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490057366 1038325586 /nfs/dbraw/zinc/32/55/86/1038325586.db2.gz SRMHGDODFBHCPU-IBGZPJMESA-N 1 1 334.463 4.086 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000594512336 1038357925 /nfs/dbraw/zinc/35/79/25/1038357925.db2.gz KYJWLVHRUMRIRU-UHFFFAOYSA-N 1 1 339.386 4.253 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000063495795 1038394870 /nfs/dbraw/zinc/39/48/70/1038394870.db2.gz LCUHVGPBMJPGPV-UHFFFAOYSA-N 1 1 347.528 4.194 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)nn1 ZINC000424295072 1038772709 /nfs/dbraw/zinc/77/27/09/1038772709.db2.gz MEAODMDRCRUHOF-INIZCTEOSA-N 1 1 337.254 4.012 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000554940323 1038782000 /nfs/dbraw/zinc/78/20/00/1038782000.db2.gz CQJDXBQPAOYWRO-UHFFFAOYSA-N 1 1 344.528 4.331 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000608833234 1038916605 /nfs/dbraw/zinc/91/66/05/1038916605.db2.gz CHOLEGMBSPJSKG-UHFFFAOYSA-N 1 1 345.874 4.196 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000505038902 1038917072 /nfs/dbraw/zinc/91/70/72/1038917072.db2.gz LIVNMDVBMJSPIW-SFHVURJKSA-N 1 1 343.515 4.439 20 30 EIEDMO C[C@H]1CSCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630441 1039167556 /nfs/dbraw/zinc/16/75/56/1039167556.db2.gz WZYOVTRSTPRLFJ-INIZCTEOSA-N 1 1 338.476 4.075 20 30 EIEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000552218957 1039267393 /nfs/dbraw/zinc/26/73/93/1039267393.db2.gz BUHHYTYRROPHRX-CHWSQXEVSA-N 1 1 341.282 4.233 20 30 EIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632669 1039272075 /nfs/dbraw/zinc/27/20/75/1039272075.db2.gz JSBMGIMEGFJXGV-NHCUHLMSSA-N 1 1 344.462 4.283 20 30 EIEDMO N#CCC[N@H+](CC/C=C/c1ccc(Br)cc1)CC1CC1 ZINC000478023793 1039348166 /nfs/dbraw/zinc/34/81/66/1039348166.db2.gz JONMVZPEGBHXAP-DAFODLJHSA-N 1 1 333.273 4.478 20 30 EIEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)c(C(F)(F)F)c1 ZINC000600215440 1039388455 /nfs/dbraw/zinc/38/84/55/1039388455.db2.gz LGERPYWDXRDNOB-UHFFFAOYSA-N 1 1 336.382 4.313 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000481602687 1039606011 /nfs/dbraw/zinc/60/60/11/1039606011.db2.gz AFPAVVJEWQYZKL-SFHVURJKSA-N 1 1 348.349 4.289 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1F)c1ccc(F)c(F)c1 ZINC000481608320 1039620508 /nfs/dbraw/zinc/62/05/08/1039620508.db2.gz LZPBGNXIFHJVFQ-IBGZPJMESA-N 1 1 348.368 4.258 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000481665881 1039714806 /nfs/dbraw/zinc/71/48/06/1039714806.db2.gz DRTGNZKONJOYTR-QFIPXVFZSA-N 1 1 337.511 4.322 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000093667804 1039728908 /nfs/dbraw/zinc/72/89/08/1039728908.db2.gz QKCRALXISYWRLE-FXAWDEMLSA-N 1 1 348.446 4.215 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000093704319 1039739866 /nfs/dbraw/zinc/73/98/66/1039739866.db2.gz KRETZAMPCHUWJQ-PXNSSMCTSA-N 1 1 335.451 4.054 20 30 EIEDMO CC[C@@H](C[N@@H+](CC)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481744661 1039807932 /nfs/dbraw/zinc/80/79/32/1039807932.db2.gz BSDFRLJWLHCTCK-SFHVURJKSA-N 1 1 349.478 4.403 20 30 EIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000537648866 1039827570 /nfs/dbraw/zinc/82/75/70/1039827570.db2.gz WKUWIYQAGIKSJB-LJQANCHMSA-N 1 1 332.451 4.049 20 30 EIEDMO Cc1ccc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000600553522 1039834091 /nfs/dbraw/zinc/83/40/91/1039834091.db2.gz UJTDIWGUMVEKGN-HDICACEKSA-N 1 1 349.478 4.088 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986663 1039954917 /nfs/dbraw/zinc/95/49/17/1039954917.db2.gz MKNHBURBTXEHOE-LBPRGKRZSA-N 1 1 332.435 4.458 20 30 EIEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)OCC ZINC000535138786 1039994025 /nfs/dbraw/zinc/99/40/25/1039994025.db2.gz SBNXWNROFVDIEY-YLJYHZDGSA-N 1 1 344.499 4.228 20 30 EIEDMO C=CCC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000435097491 1040063286 /nfs/dbraw/zinc/06/32/86/1040063286.db2.gz GYPQBHGABMXHHX-QUCCMNQESA-N 1 1 343.515 4.114 20 30 EIEDMO C=CCC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000435097490 1040065023 /nfs/dbraw/zinc/06/50/23/1040065023.db2.gz GYPQBHGABMXHHX-ICSRJNTNSA-N 1 1 343.515 4.114 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000476979109 1040079989 /nfs/dbraw/zinc/07/99/89/1040079989.db2.gz CTJRGXITBDTMNJ-KRWDZBQOSA-N 1 1 343.490 4.174 20 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/nfs/dbraw/zinc/49/52/55/1040495255.db2.gz GJCZIDMOEOLMFC-MRXNPFEDSA-N 1 1 339.508 4.373 20 30 EIEDMO C=CCC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001270001473 1040534669 /nfs/dbraw/zinc/53/46/69/1040534669.db2.gz YOPJXMAYLBZCJP-YESZJQIVSA-N 1 1 342.474 4.089 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(COC)cs1 ZINC000668147108 1040537244 /nfs/dbraw/zinc/53/72/44/1040537244.db2.gz ZTTUPSWAASIRPX-UHFFFAOYSA-N 1 1 333.501 4.250 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(COC)cs1 ZINC000668147108 1040537262 /nfs/dbraw/zinc/53/72/62/1040537262.db2.gz ZTTUPSWAASIRPX-UHFFFAOYSA-N 1 1 333.501 4.250 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553864840 1040594772 /nfs/dbraw/zinc/59/47/72/1040594772.db2.gz ALZQDTIUHRFQQV-WIYYLYMNSA-N 1 1 340.511 4.069 20 30 EIEDMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792513 1040657498 /nfs/dbraw/zinc/65/74/98/1040657498.db2.gz HHSSMMLZKXMDNG-IIBYNOLFSA-N 1 1 343.430 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/nfs/dbraw/zinc/80/65/27/1040806527.db2.gz MBODXJWEFQESAB-QGZVFWFLSA-N 1 1 338.451 4.019 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000539836710 1040831648 /nfs/dbraw/zinc/83/16/48/1040831648.db2.gz ACZAQAGBLIZIHZ-UHFFFAOYSA-N 1 1 346.478 4.391 20 30 EIEDMO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000515551783 1040851644 /nfs/dbraw/zinc/85/16/44/1040851644.db2.gz SAOJPANFHVWJEC-MRXNPFEDSA-N 1 1 348.494 4.414 20 30 EIEDMO CCOc1ccccc1C1=CC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483578669 1040895956 /nfs/dbraw/zinc/89/59/56/1040895956.db2.gz FCNWEWYORBEYQV-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483578669 1040895964 /nfs/dbraw/zinc/89/59/64/1040895964.db2.gz FCNWEWYORBEYQV-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539923997 1040909733 /nfs/dbraw/zinc/90/97/33/1040909733.db2.gz OOZXIXBCFXZQNX-HYXAFXHYSA-N 1 1 345.402 4.269 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000483703951 1040967657 /nfs/dbraw/zinc/96/76/57/1040967657.db2.gz YOSMZYSEUHWRGB-UYAOXDASSA-N 1 1 342.389 4.189 20 30 EIEDMO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000483888027 1041058583 /nfs/dbraw/zinc/05/85/83/1041058583.db2.gz SUJAKDBREILVSD-LJQANCHMSA-N 1 1 349.563 4.419 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1F ZINC000483956173 1041074503 /nfs/dbraw/zinc/07/45/03/1041074503.db2.gz NTDDLEKWUSJIJD-INIZCTEOSA-N 1 1 326.440 4.312 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000538124178 1041080442 /nfs/dbraw/zinc/08/04/42/1041080442.db2.gz JHNIZZHWZRCLRA-KRWDZBQOSA-N 1 1 343.430 4.383 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000484078922 1041107346 /nfs/dbraw/zinc/10/73/46/1041107346.db2.gz LDWMEVSNRQHYFR-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000425531148 1041172956 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EIEDMO CC(C)CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCCC1 ZINC000325683942 1041460654 /nfs/dbraw/zinc/46/06/54/1041460654.db2.gz MCQZRSCDYDKSGM-UHFFFAOYSA-N 1 1 327.472 4.178 20 30 EIEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001270130225 1041493023 /nfs/dbraw/zinc/49/30/23/1041493023.db2.gz FCVAQAQOWZXHCN-HXUWFJFHSA-N 1 1 340.511 4.150 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1OC ZINC000538731273 1041502630 /nfs/dbraw/zinc/50/26/30/1041502630.db2.gz XEFJFTZUJYNWKX-MRXNPFEDSA-N 1 1 341.451 4.029 20 30 EIEDMO N#CCCCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540591668 1041549174 /nfs/dbraw/zinc/54/91/74/1041549174.db2.gz KGIXFXRXRZZHGV-UHFFFAOYSA-N 1 1 326.271 4.199 20 30 EIEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(OC(C)(C)C)c1 ZINC000540619475 1041568515 /nfs/dbraw/zinc/56/85/15/1041568515.db2.gz AJJGMRRPGUJXEX-UHFFFAOYSA-N 1 1 326.415 4.473 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1Cl ZINC000540768575 1041657032 /nfs/dbraw/zinc/65/70/32/1041657032.db2.gz RUSRLVBWEHGVRV-SFHVURJKSA-N 1 1 335.875 4.296 20 30 EIEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437425132 1041798484 /nfs/dbraw/zinc/79/84/84/1041798484.db2.gz GHKKXXNTROPVDN-GFCCVEGCSA-N 1 1 334.341 4.492 20 30 EIEDMO CC[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000506055793 1041819191 /nfs/dbraw/zinc/81/91/91/1041819191.db2.gz HIYIFDBAQOUKPJ-CQSZACIVSA-N 1 1 328.378 4.346 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(OC)cc1 ZINC000437588397 1041852391 /nfs/dbraw/zinc/85/23/91/1041852391.db2.gz BNTZOZJWAZKAJL-UHFFFAOYSA-N 1 1 339.464 4.335 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000464435947 1042005602 /nfs/dbraw/zinc/00/56/02/1042005602.db2.gz BFCGOQGNNXZMIC-ROUUACIJSA-N 1 1 328.500 4.280 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000438170646 1042069651 /nfs/dbraw/zinc/06/96/51/1042069651.db2.gz QPHDQIAMFFLQKR-FQEVSTJZSA-N 1 1 339.866 4.230 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1)C(C)C ZINC000464644386 1042095180 /nfs/dbraw/zinc/09/51/80/1042095180.db2.gz BNAFGKPYYXSROH-UHFFFAOYSA-N 1 1 339.414 4.180 20 30 EIEDMO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000541763804 1042098059 /nfs/dbraw/zinc/09/80/59/1042098059.db2.gz XRQDQHREGGZFFS-KRWDZBQOSA-N 1 1 344.462 4.351 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000541765071 1042098376 /nfs/dbraw/zinc/09/83/76/1042098376.db2.gz SCSBIIVKBNNOBA-MRXNPFEDSA-N 1 1 348.425 4.236 20 30 EIEDMO CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000506236147 1042181229 /nfs/dbraw/zinc/18/12/29/1042181229.db2.gz ZAYDALXSYDGEFU-UHFFFAOYSA-N 1 1 344.462 4.499 20 30 EIEDMO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000506236147 1042181235 /nfs/dbraw/zinc/18/12/35/1042181235.db2.gz ZAYDALXSYDGEFU-UHFFFAOYSA-N 1 1 344.462 4.499 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464838464 1042182885 /nfs/dbraw/zinc/18/28/85/1042182885.db2.gz ZVOMXVISLVJYBK-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464838464 1042182887 /nfs/dbraw/zinc/18/28/87/1042182887.db2.gz ZVOMXVISLVJYBK-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464838464 1042182891 /nfs/dbraw/zinc/18/28/91/1042182891.db2.gz ZVOMXVISLVJYBK-RBUKOAKNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000464868263 1042199400 /nfs/dbraw/zinc/19/94/00/1042199400.db2.gz KLZIRSWPGZYOGA-ZDUSSCGKSA-N 1 1 342.464 4.298 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000271750272 1042289735 /nfs/dbraw/zinc/28/97/35/1042289735.db2.gz KKMSABWFXJVROW-GFCCVEGCSA-N 1 1 332.350 4.019 20 30 EIEDMO CC(C)[N@@H+](CCCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000542202289 1042332953 /nfs/dbraw/zinc/33/29/53/1042332953.db2.gz XVKGUHVZWCLKGY-UHFFFAOYSA-N 1 1 330.472 4.281 20 30 EIEDMO 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/nfs/dbraw/zinc/42/81/01/1042428101.db2.gz QEFJCRJSWZUWQK-UHFFFAOYSA-N 1 1 341.386 4.008 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000491368480 1042428106 /nfs/dbraw/zinc/42/81/06/1042428106.db2.gz QEFJCRJSWZUWQK-UHFFFAOYSA-N 1 1 341.386 4.008 20 30 EIEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000491766737 1042495868 /nfs/dbraw/zinc/49/58/68/1042495868.db2.gz HKQGRCYWTAHPCF-CQSZACIVSA-N 1 1 326.827 4.046 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1 ZINC000506524216 1042557471 /nfs/dbraw/zinc/55/74/71/1042557471.db2.gz IGOKWNPSPHYFDT-FQEVSTJZSA-N 1 1 341.499 4.121 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439428941 1042620454 /nfs/dbraw/zinc/62/04/54/1042620454.db2.gz HAGWSYSRPYKLBE-UHFFFAOYSA-N 1 1 343.833 4.427 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492415533 1042639496 /nfs/dbraw/zinc/63/94/96/1042639496.db2.gz GEQCOIDBMNIFNA-UHFFFAOYSA-N 1 1 332.425 4.243 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492415533 1042639502 /nfs/dbraw/zinc/63/95/02/1042639502.db2.gz GEQCOIDBMNIFNA-UHFFFAOYSA-N 1 1 332.425 4.243 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCc2ccccc21 ZINC000492461445 1042665278 /nfs/dbraw/zinc/66/52/78/1042665278.db2.gz KXSALEKMAZJKDK-SFHVURJKSA-N 1 1 341.252 4.440 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCc2ccccc21 ZINC000492461445 1042665285 /nfs/dbraw/zinc/66/52/85/1042665285.db2.gz KXSALEKMAZJKDK-SFHVURJKSA-N 1 1 341.252 4.440 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000518848483 1042716078 /nfs/dbraw/zinc/71/60/78/1042716078.db2.gz IOPCGWFMSKCCKM-GOSISDBHSA-N 1 1 347.499 4.430 20 30 EIEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1Cl ZINC000174864101 1042717551 /nfs/dbraw/zinc/71/75/51/1042717551.db2.gz MICDUFSQJUCYAB-UHFFFAOYSA-N 1 1 326.843 4.257 20 30 EIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492725391 1042732861 /nfs/dbraw/zinc/73/28/61/1042732861.db2.gz 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Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751049 1043047140 /nfs/dbraw/zinc/04/71/40/1043047140.db2.gz BHYIZJPRSMXTKO-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751049 1043047152 /nfs/dbraw/zinc/04/71/52/1043047152.db2.gz BHYIZJPRSMXTKO-UHFFFAOYSA-N 1 1 335.451 4.024 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c(F)c1 ZINC000162540283 1043077537 /nfs/dbraw/zinc/07/75/37/1043077537.db2.gz KVFWIKQNEALGFF-UHFFFAOYSA-N 1 1 326.268 4.145 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000186852293 1043080917 /nfs/dbraw/zinc/08/09/17/1043080917.db2.gz RSJCVZNZDQEXNB-GOSISDBHSA-N 1 1 344.480 4.231 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320412 1043082153 /nfs/dbraw/zinc/08/21/53/1043082153.db2.gz YHOMPGZKAMOUJF-HNNXBMFYSA-N 1 1 345.855 4.049 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320412 1043082165 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N#Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000312037167 1043381687 /nfs/dbraw/zinc/38/16/87/1043381687.db2.gz ZNAUDNQKOOIZTF-GOSISDBHSA-N 1 1 342.446 4.040 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000494259286 1043387724 /nfs/dbraw/zinc/38/77/24/1043387724.db2.gz JVFWRQYLXNCFKK-UHFFFAOYSA-N 1 1 341.842 4.081 20 30 EIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499601365 1043389689 /nfs/dbraw/zinc/38/96/89/1043389689.db2.gz XAMJZRZDHASHLN-HOTGVXAUSA-N 1 1 330.447 4.234 20 30 EIEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000366892061 1043432620 /nfs/dbraw/zinc/43/26/20/1043432620.db2.gz CZAIBEKOCRNBFL-FQEVSTJZSA-N 1 1 326.484 4.103 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1OCC ZINC000785471613 1043451438 /nfs/dbraw/zinc/45/14/38/1043451438.db2.gz WHGONAJJKKOSNE-UHFFFAOYSA-N 1 1 329.827 4.041 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000521823168 1043543784 /nfs/dbraw/zinc/54/37/84/1043543784.db2.gz LAWFADKBMPBJRK-NRFANRHFSA-N 1 1 349.478 4.406 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000171630488 1043633881 /nfs/dbraw/zinc/63/38/81/1043633881.db2.gz WQHLHSIJKZXXEV-HXUWFJFHSA-N 1 1 342.446 4.328 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000171630488 1043633898 /nfs/dbraw/zinc/63/38/98/1043633898.db2.gz WQHLHSIJKZXXEV-HXUWFJFHSA-N 1 1 342.446 4.328 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000171630488 1043633922 /nfs/dbraw/zinc/63/39/22/1043633922.db2.gz WQHLHSIJKZXXEV-HXUWFJFHSA-N 1 1 342.446 4.328 20 30 EIEDMO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000521253902 1043677621 /nfs/dbraw/zinc/67/76/21/1043677621.db2.gz HEHBQMTWLHDSLW-KZULUSFZSA-N 1 1 341.798 4.145 20 30 EIEDMO N#CCOc1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000731211495 1043713734 /nfs/dbraw/zinc/71/37/34/1043713734.db2.gz LCGOHABCGKHWKS-UHFFFAOYSA-N 1 1 326.827 4.407 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000114733719 1043741065 /nfs/dbraw/zinc/74/10/65/1043741065.db2.gz QPOKONFDQRYPCX-WMLDXEAASA-N 1 1 339.464 4.092 20 30 EIEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000521424993 1043751967 /nfs/dbraw/zinc/75/19/67/1043751967.db2.gz ASGOOTHTAJTXHJ-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO COC[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191493270 1043820739 /nfs/dbraw/zinc/82/07/39/1043820739.db2.gz CWTQHOUVOYRSMK-FQEVSTJZSA-N 1 1 348.490 4.245 20 30 EIEDMO COC[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191493257 1043821407 /nfs/dbraw/zinc/82/14/07/1043821407.db2.gz CWTQHOUVOYRSMK-HXUWFJFHSA-N 1 1 348.490 4.245 20 30 EIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831436 1043859398 /nfs/dbraw/zinc/85/93/98/1043859398.db2.gz ADTLVQUMCFIPRK-FOIQADDNSA-N 1 1 336.435 4.159 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000443062070 1043980857 /nfs/dbraw/zinc/98/08/57/1043980857.db2.gz ADYVPPCYGRGLJS-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO CC(C)[NH+]1CCC(NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766107226 1044194011 /nfs/dbraw/zinc/19/40/11/1044194011.db2.gz DCNLRGPZUHTBJT-UHFFFAOYSA-N 1 1 339.508 4.249 20 30 EIEDMO CC(C)N1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766107226 1044194026 /nfs/dbraw/zinc/19/40/26/1044194026.db2.gz DCNLRGPZUHTBJT-UHFFFAOYSA-N 1 1 339.508 4.249 20 30 EIEDMO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104091 1044221207 /nfs/dbraw/zinc/22/12/07/1044221207.db2.gz GTLPRCMKKQVHHK-ROUUACIJSA-N 1 1 333.479 4.434 20 30 EIEDMO C=CC[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000494821588 1044386186 /nfs/dbraw/zinc/38/61/86/1044386186.db2.gz LQGYKDRZNRFGKB-JYRKZWEQSA-N 1 1 340.511 4.210 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760429 1044469741 /nfs/dbraw/zinc/46/97/41/1044469741.db2.gz VHPUPLCZUHOUMT-SFTDATJTSA-N 1 1 336.410 4.148 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760429 1044469755 /nfs/dbraw/zinc/46/97/55/1044469755.db2.gz VHPUPLCZUHOUMT-SFTDATJTSA-N 1 1 336.410 4.148 20 30 EIEDMO C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000734295622 1044524525 /nfs/dbraw/zinc/52/45/25/1044524525.db2.gz FQRPQJRHOIYIJD-MRXNPFEDSA-N 1 1 345.450 4.082 20 30 EIEDMO C[C@H]1CC(N=Nc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000734299325 1044524856 /nfs/dbraw/zinc/52/48/56/1044524856.db2.gz UUBZOFGZOHHWBM-AWEZNQCLSA-N 1 1 328.847 4.187 20 30 EIEDMO C=CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495055119 1044625019 /nfs/dbraw/zinc/62/50/19/1044625019.db2.gz ZBZHVRMXSLPLAQ-TZIWHRDSSA-N 1 1 342.527 4.365 20 30 EIEDMO Fc1ccc(CC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000676083433 1044645699 /nfs/dbraw/zinc/64/56/99/1044645699.db2.gz XTDPHNKPTUBUQC-UWVGGRQHSA-N 1 1 347.249 4.180 20 30 EIEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491811 1044647556 /nfs/dbraw/zinc/64/75/56/1044647556.db2.gz GGJKIGHCFKLYLT-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491811 1044647571 /nfs/dbraw/zinc/64/75/71/1044647571.db2.gz GGJKIGHCFKLYLT-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378491811 1044647578 /nfs/dbraw/zinc/64/75/78/1044647578.db2.gz GGJKIGHCFKLYLT-SVMVAKDDSA-N 1 1 333.479 4.119 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc(C)cc2)c1C ZINC000914693203 1044661796 /nfs/dbraw/zinc/66/17/96/1044661796.db2.gz PBYKNKUVIHLYEM-NRFANRHFSA-N 1 1 338.499 4.344 20 30 EIEDMO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000734840050 1044698378 /nfs/dbraw/zinc/69/83/78/1044698378.db2.gz VCSVJRXBDWNZEK-HXUWFJFHSA-N 1 1 338.476 4.188 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)cs1 ZINC000092101145 1044727907 /nfs/dbraw/zinc/72/79/07/1044727907.db2.gz 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/nfs/dbraw/zinc/86/79/55/1044867955.db2.gz IBTHPCKPBPHIDP-UHFFFAOYSA-N 1 1 330.241 4.003 20 30 EIEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931594 1044876464 /nfs/dbraw/zinc/87/64/64/1044876464.db2.gz QDOKENSTPAZJGU-BBRMVZONSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931594 1044876465 /nfs/dbraw/zinc/87/64/65/1044876465.db2.gz QDOKENSTPAZJGU-BBRMVZONSA-N 1 1 340.389 4.407 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000922695382 1044893343 /nfs/dbraw/zinc/89/33/43/1044893343.db2.gz HDEUJQBKMWSUPY-UHFFFAOYSA-N 1 1 325.481 4.113 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800072 1044893848 /nfs/dbraw/zinc/89/38/48/1044893848.db2.gz AJQHUCBCONYTLU-AOMKIAJQSA-N 1 1 346.430 4.119 20 30 EIEDMO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000429295944 1044912997 /nfs/dbraw/zinc/91/29/97/1044912997.db2.gz BUJMOGRCHTYOID-BLLLJJGKSA-N 1 1 346.272 4.106 20 30 EIEDMO CCCCn1nc(C)c(C[NH2+]Cc2ccc(C)c(C#N)c2)c1Cl ZINC000922762231 1044929681 /nfs/dbraw/zinc/92/96/81/1044929681.db2.gz LGEFIHJSHOUHNT-UHFFFAOYSA-N 1 1 330.863 4.115 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000155800451 1044956939 /nfs/dbraw/zinc/95/69/39/1044956939.db2.gz HTLIKRCBDWGWSY-LJQANCHMSA-N 1 1 339.439 4.036 20 30 EIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000736623440 1044957129 /nfs/dbraw/zinc/95/71/29/1044957129.db2.gz KIFBXKQEPKZVJZ-HNNXBMFYSA-N 1 1 328.843 4.305 20 30 EIEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000736629529 1044959614 /nfs/dbraw/zinc/95/96/14/1044959614.db2.gz QFOISRFEVBVFFH-LJQANCHMSA-N 1 1 338.426 4.031 20 30 EIEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000625980134 1045089357 /nfs/dbraw/zinc/08/93/57/1045089357.db2.gz DSCFKHUGTKHFSO-GFCCVEGCSA-N 1 1 333.300 4.056 20 30 EIEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000625980134 1045089371 /nfs/dbraw/zinc/08/93/71/1045089371.db2.gz DSCFKHUGTKHFSO-GFCCVEGCSA-N 1 1 333.300 4.056 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930822 1045175826 /nfs/dbraw/zinc/17/58/26/1045175826.db2.gz PALWWVLBPOSAPM-SFHVURJKSA-N 1 1 343.515 4.292 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=S ZINC000915210202 1045186806 /nfs/dbraw/zinc/18/68/06/1045186806.db2.gz XUNOGGPKFKVRTM-BHYGNILZSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=S ZINC000915210202 1045186812 /nfs/dbraw/zinc/18/68/12/1045186812.db2.gz XUNOGGPKFKVRTM-BHYGNILZSA-N 1 1 346.544 4.336 20 30 EIEDMO C=CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018920 1045200800 /nfs/dbraw/zinc/20/08/00/1045200800.db2.gz JRFOMBQIYAUZKB-QIJUGHKUSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018920 1045200809 /nfs/dbraw/zinc/20/08/09/1045200809.db2.gz JRFOMBQIYAUZKB-QIJUGHKUSA-N 1 1 335.495 4.342 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CN=Cc1cc2ccccc2[nH]c1=O ZINC000915271164 1045226882 /nfs/dbraw/zinc/22/68/82/1045226882.db2.gz MJUVZENDVJNDKB-UCQKPKSFSA-N 1 1 347.462 4.400 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000740878605 1045235123 /nfs/dbraw/zinc/23/51/23/1045235123.db2.gz ONZANGDXLIVCTG-UHFFFAOYSA-N 1 1 332.414 4.253 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000740878605 1045235133 /nfs/dbraw/zinc/23/51/33/1045235133.db2.gz ONZANGDXLIVCTG-UHFFFAOYSA-N 1 1 332.414 4.253 20 30 EIEDMO C=CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccncc1 ZINC000766020919 1045235551 /nfs/dbraw/zinc/23/55/51/1045235551.db2.gz RBIGUWXGDONEGZ-OXQOHEQNSA-N 1 1 347.466 4.247 20 30 EIEDMO C=CCOCCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428819451 1045276394 /nfs/dbraw/zinc/27/63/94/1045276394.db2.gz RXGRRULBZKVYTM-RHSMWYFYSA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428819451 1045276402 /nfs/dbraw/zinc/27/64/02/1045276402.db2.gz RXGRRULBZKVYTM-RHSMWYFYSA-N 1 1 343.389 4.060 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1C#N ZINC000611346693 1045287962 /nfs/dbraw/zinc/28/79/62/1045287962.db2.gz DSERJCWDHVVBNT-IBGZPJMESA-N 1 1 342.446 4.042 20 30 EIEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1C#N ZINC000611346694 1045288063 /nfs/dbraw/zinc/28/80/63/1045288063.db2.gz DSERJCWDHVVBNT-LJQANCHMSA-N 1 1 342.446 4.042 20 30 EIEDMO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000611386462 1045292671 /nfs/dbraw/zinc/29/26/71/1045292671.db2.gz ZTEOUFBDWVUDMU-AWEZNQCLSA-N 1 1 333.391 4.073 20 30 EIEDMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000611389278 1045294571 /nfs/dbraw/zinc/29/45/71/1045294571.db2.gz RYKNTYSAXZQLID-CQSZACIVSA-N 1 1 333.391 4.073 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(C#N)c1 ZINC000611387006 1045295773 /nfs/dbraw/zinc/29/57/73/1045295773.db2.gz YIGOLRVIDXIQHK-GFCCVEGCSA-N 1 1 326.350 4.154 20 30 EIEDMO C[C@@H]([NH2+][C@@H](CN1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438272 1045308388 /nfs/dbraw/zinc/30/83/88/1045308388.db2.gz AUOFNUMVINUFSI-GCJKJVERSA-N 1 1 333.479 4.436 20 30 EIEDMO CC(C)c1[nH+]c(C=CC(=O)c2c[nH]c3ncccc23)c2ccccn21 ZINC000762600705 1045310885 /nfs/dbraw/zinc/31/08/85/1045310885.db2.gz PJVICXLNDVOZKF-HJWRWDBZSA-N 1 1 330.391 4.230 20 30 EIEDMO COc1ccc2c(c1)C(=O)/C(=C/c1[nH+]c(C(C)C)n3ccccc13)C2 ZINC000762601054 1045311594 /nfs/dbraw/zinc/31/15/94/1045311594.db2.gz XXMPWEFJFJXLOP-RVDMUPIBSA-N 1 1 332.403 4.289 20 30 EIEDMO CCn1nc(C)c(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)c1C ZINC000762601756 1045312373 /nfs/dbraw/zinc/31/23/73/1045312373.db2.gz AZKYSIZYNFREGC-KHPPLWFESA-N 1 1 336.439 4.187 20 30 EIEDMO C=CCCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000533529309 1045540720 /nfs/dbraw/zinc/54/07/20/1045540720.db2.gz RNMCBJNKBOJIOW-UHFFFAOYSA-N 1 1 343.858 4.142 20 30 EIEDMO C=CCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000533529309 1045540749 /nfs/dbraw/zinc/54/07/49/1045540749.db2.gz RNMCBJNKBOJIOW-UHFFFAOYSA-N 1 1 343.858 4.142 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1C#N ZINC000533538443 1045554826 /nfs/dbraw/zinc/55/48/26/1045554826.db2.gz AZPHTQWLJKCBIF-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1C#N ZINC000533538443 1045554834 /nfs/dbraw/zinc/55/48/34/1045554834.db2.gz AZPHTQWLJKCBIF-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO C#CC[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000768130593 1045722503 /nfs/dbraw/zinc/72/25/03/1045722503.db2.gz RYPCUBLCIXHCFN-SFHVURJKSA-N 1 1 330.353 4.223 20 30 EIEDMO C#CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000768130593 1045722485 /nfs/dbraw/zinc/72/24/85/1045722485.db2.gz RYPCUBLCIXHCFN-SFHVURJKSA-N 1 1 330.353 4.223 20 30 EIEDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763231732 1045780205 /nfs/dbraw/zinc/78/02/05/1045780205.db2.gz PQDHYAQDAAPHRQ-LJQANCHMSA-N 1 1 328.843 4.156 20 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N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769549736 1046016883 /nfs/dbraw/zinc/01/68/83/1046016883.db2.gz UUYAHSRMXKQWGK-ROUUACIJSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769549736 1046016858 /nfs/dbraw/zinc/01/68/58/1046016858.db2.gz UUYAHSRMXKQWGK-ROUUACIJSA-N 1 1 326.827 4.317 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001170379227 1046032922 /nfs/dbraw/zinc/03/29/22/1046032922.db2.gz UOYLZAHUYNHMJX-QHCGNWPDSA-N 1 1 336.479 4.224 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001170379226 1046033934 /nfs/dbraw/zinc/03/39/34/1046033934.db2.gz UOYLZAHUYNHMJX-LNSLMDJYSA-N 1 1 336.479 4.224 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000757719745 1046067836 /nfs/dbraw/zinc/06/78/36/1046067836.db2.gz DAFCTFPIGSWRTB-UHFFFAOYSA-N 1 1 332.341 4.138 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000757719745 1046067852 /nfs/dbraw/zinc/06/78/52/1046067852.db2.gz DAFCTFPIGSWRTB-UHFFFAOYSA-N 1 1 332.341 4.138 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078587697 1046087168 /nfs/dbraw/zinc/08/71/68/1046087168.db2.gz BVONCMNVDXTRGY-QGZVFWFLSA-N 1 1 345.446 4.431 20 30 EIEDMO C#C[C@H](C)[N@H+](C)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000769975988 1046120112 /nfs/dbraw/zinc/12/01/12/1046120112.db2.gz SXVLLSHRNFOMMV-AWEZNQCLSA-N 1 1 334.891 4.137 20 30 EIEDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405441 1046133634 /nfs/dbraw/zinc/13/36/34/1046133634.db2.gz BNBWRUOIENGBDY-GOSISDBHSA-N 1 1 348.368 4.133 20 30 EIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763413395 1046147381 /nfs/dbraw/zinc/14/73/81/1046147381.db2.gz KVEPJIPOHBVNEN-RYGJVYDSSA-N 1 1 338.451 4.220 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413473 1046147695 /nfs/dbraw/zinc/14/76/95/1046147695.db2.gz MPRJAJYSNMMANS-AUSJPIAWSA-N 1 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C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000917019881 1046564325 /nfs/dbraw/zinc/56/43/25/1046564325.db2.gz KVMUOAISIJCYPZ-UHFFFAOYSA-N 1 1 349.478 4.059 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 ZINC000804537319 1046590250 /nfs/dbraw/zinc/59/02/50/1046590250.db2.gz QSRKOBDTLFXULA-JTQLQIEISA-N 1 1 343.843 4.335 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000459398634 1046593553 /nfs/dbraw/zinc/59/35/53/1046593553.db2.gz LMEFUUQCHGHFHM-IBGZPJMESA-N 1 1 335.407 4.488 20 30 EIEDMO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C(C)C ZINC000917069782 1046644496 /nfs/dbraw/zinc/64/44/96/1046644496.db2.gz VNLBWMJKZGSPEI-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C(C)C ZINC000917069782 1046644511 /nfs/dbraw/zinc/64/45/11/1046644511.db2.gz VNLBWMJKZGSPEI-UHFFFAOYSA-N 1 1 332.469 4.224 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000536698454 1046695499 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EIEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459592192 1046802666 /nfs/dbraw/zinc/80/26/66/1046802666.db2.gz MTPUSNNADQKWBP-MRXNPFEDSA-N 1 1 348.903 4.390 20 30 EIEDMO CC(C)(CC#N)C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000459737187 1046875632 /nfs/dbraw/zinc/87/56/32/1046875632.db2.gz VWXKATOPRQFVNE-UHFFFAOYSA-N 1 1 349.887 4.405 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593844 1046876763 /nfs/dbraw/zinc/87/67/63/1046876763.db2.gz KRPXJNMKPFYEMM-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593844 1046876770 /nfs/dbraw/zinc/87/67/70/1046876770.db2.gz KRPXJNMKPFYEMM-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CC[N@@H+](CCOCCOc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600134 1046884065 /nfs/dbraw/zinc/88/40/65/1046884065.db2.gz SSIVBTNMGYMQOC-SFHVURJKSA-N 1 1 338.451 4.037 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418620 1047002814 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/nfs/dbraw/zinc/52/27/79/1047522779.db2.gz DKQUAYNWFBCDCB-MRXNPFEDSA-N 1 1 328.847 4.187 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2nccnc2C2CCC2)cc1 ZINC000807994514 1047569015 /nfs/dbraw/zinc/56/90/15/1047569015.db2.gz PTXVJYCLLCEFFW-UHFFFAOYSA-N 1 1 346.438 4.074 20 30 EIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000918739303 1047632443 /nfs/dbraw/zinc/63/24/43/1047632443.db2.gz JUEHRFSLHHNQFL-QGZVFWFLSA-N 1 1 333.435 4.282 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000194916822 1047842592 /nfs/dbraw/zinc/84/25/92/1047842592.db2.gz CTQDXQDFECIAEB-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000824716168 1047909065 /nfs/dbraw/zinc/90/90/65/1047909065.db2.gz SRCMMLZMPDJHSA-GUTXKFCHSA-N 1 1 326.362 4.140 20 30 EIEDMO CCCCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001131298513 1047939495 /nfs/dbraw/zinc/93/94/95/1047939495.db2.gz JJZXOXJLHUOFNF-FQEVSTJZSA-N 1 1 330.516 4.436 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC001136957726 1047989117 /nfs/dbraw/zinc/98/91/17/1047989117.db2.gz MQZXBSOJGXWDKT-QGZVFWFLSA-N 1 1 349.459 4.211 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC001136957726 1047989138 /nfs/dbraw/zinc/98/91/38/1047989138.db2.gz MQZXBSOJGXWDKT-QGZVFWFLSA-N 1 1 349.459 4.211 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001136974766 1048007082 /nfs/dbraw/zinc/00/70/82/1048007082.db2.gz MIXGACXEMLXLBO-LJQANCHMSA-N 1 1 345.446 4.391 20 30 EIEDMO CC(C)(C#N)CCN1CC[N@@H+](CCC(C)(C)C#N)C2(CCCCC2)C1 ZINC000131910653 1048167314 /nfs/dbraw/zinc/16/73/14/1048167314.db2.gz WLPMHNSLHNGFOW-UHFFFAOYSA-N 1 1 344.547 4.187 20 30 EIEDMO CC(C)(C#N)CCN1CC[N@H+](CCC(C)(C)C#N)CC12CCCCC2 ZINC000131910653 1048167319 /nfs/dbraw/zinc/16/73/19/1048167319.db2.gz WLPMHNSLHNGFOW-UHFFFAOYSA-N 1 1 344.547 4.187 20 30 EIEDMO CC(C)(C#N)CCN1CC[N@@H+](CCC(C)(C)C#N)CC12CCCCC2 ZINC000131910653 1048167330 /nfs/dbraw/zinc/16/73/30/1048167330.db2.gz WLPMHNSLHNGFOW-UHFFFAOYSA-N 1 1 344.547 4.187 20 30 EIEDMO COc1cccc(CCC[N@H+](C)Cc2c(Cl)cccc2C#N)c1 ZINC001143731330 1048177809 /nfs/dbraw/zinc/17/78/09/1048177809.db2.gz TVKVRNUNAAGULG-UHFFFAOYSA-N 1 1 328.843 4.285 20 30 EIEDMO COc1cccc(CCC[N@@H+](C)Cc2c(Cl)cccc2C#N)c1 ZINC001143731330 1048177821 /nfs/dbraw/zinc/17/78/21/1048177821.db2.gz TVKVRNUNAAGULG-UHFFFAOYSA-N 1 1 328.843 4.285 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001143767766 1048186038 /nfs/dbraw/zinc/18/60/38/1048186038.db2.gz LVRUEYYGAJKQNZ-LJQANCHMSA-N 1 1 342.389 4.188 20 30 EIEDMO CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1OC(F)F ZINC000814899837 1048224048 /nfs/dbraw/zinc/22/40/48/1048224048.db2.gz QGKDSODMINMWOG-UHFFFAOYSA-N 1 1 327.334 4.094 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000919935372 1048316953 /nfs/dbraw/zinc/31/69/53/1048316953.db2.gz DUXWBJKLCAQGMW-OAHLLOKOSA-N 1 1 343.389 4.294 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000556960562 1048322696 /nfs/dbraw/zinc/32/26/96/1048322696.db2.gz VPQMPDXSRYZNNF-PMACEKPBSA-N 1 1 348.494 4.474 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439943 1048341644 /nfs/dbraw/zinc/34/16/44/1048341644.db2.gz ZCHKHFBSKSJYJP-HNNXBMFYSA-N 1 1 345.311 4.058 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001144069464 1048398155 /nfs/dbraw/zinc/39/81/55/1048398155.db2.gz ZGDQCYZIJHPAMS-FQEVSTJZSA-N 1 1 340.511 4.244 20 30 EIEDMO CC(C)[N@H+](Cc1cncc(C#N)c1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144083222 1048413558 /nfs/dbraw/zinc/41/35/58/1048413558.db2.gz CGKWDVIWMICKGW-JOCHJYFZSA-N 1 1 345.446 4.050 20 30 EIEDMO N#Cc1cncc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC001144083497 1048414268 /nfs/dbraw/zinc/41/42/68/1048414268.db2.gz HTBUQZDLACUZRE-UHFFFAOYSA-N 1 1 327.431 4.198 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135010326 1048445965 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CCC[N@H+](CCN1CCCCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809788522 1048533701 /nfs/dbraw/zinc/53/37/01/1048533701.db2.gz SMOPYWVUSIJFGT-LJQANCHMSA-N 1 1 343.515 4.065 20 30 EIEDMO CCC[N@@H+](CCN1CCCCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809788522 1048533712 /nfs/dbraw/zinc/53/37/12/1048533712.db2.gz SMOPYWVUSIJFGT-LJQANCHMSA-N 1 1 343.515 4.065 20 30 EIEDMO COc1cc2cc[nH]c2cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184282 1048673862 /nfs/dbraw/zinc/67/38/62/1048673862.db2.gz ITBHFDIHMVPEJW-UHFFFAOYSA-N 1 1 331.375 4.072 20 30 EIEDMO [NH2+]=C(Nc1cc(Cl)nc2cnccc21)c1ccc2cc(O)ccc2c1 ZINC001171185748 1048683562 /nfs/dbraw/zinc/68/35/62/1048683562.db2.gz HTADOYTYMFUTEO-UHFFFAOYSA-N 1 1 348.793 4.179 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001135487002 1048746635 /nfs/dbraw/zinc/74/66/35/1048746635.db2.gz NLOYXTNFBXRIGT-OAHLLOKOSA-N 1 1 340.920 4.037 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1O ZINC000816490683 1048814277 /nfs/dbraw/zinc/81/42/77/1048814277.db2.gz BJUSOMJGNAGNNY-UHFFFAOYSA-N 1 1 346.430 4.066 20 30 EIEDMO C[NH+](C)C1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCCCC1 ZINC000920945095 1048819463 /nfs/dbraw/zinc/81/94/63/1048819463.db2.gz QCNKLNRNPYLMAF-GRSHGNNSSA-N 1 1 329.271 4.382 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1OC ZINC000846106473 1048822074 /nfs/dbraw/zinc/82/20/74/1048822074.db2.gz BQDKYLIEPLRORW-SFHVURJKSA-N 1 1 337.410 4.271 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846105310 1048822527 /nfs/dbraw/zinc/82/25/27/1048822527.db2.gz RXVMYYXTVNHZTK-CQSZACIVSA-N 1 1 330.300 4.198 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846105310 1048822530 /nfs/dbraw/zinc/82/25/30/1048822530.db2.gz RXVMYYXTVNHZTK-CQSZACIVSA-N 1 1 330.300 4.198 20 30 EIEDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000793565207 1048847012 /nfs/dbraw/zinc/84/70/12/1048847012.db2.gz GHYHMNGTLXTODK-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000793565207 1048847017 /nfs/dbraw/zinc/84/70/17/1048847017.db2.gz GHYHMNGTLXTODK-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230245 1048872202 /nfs/dbraw/zinc/87/22/02/1048872202.db2.gz CACMRGGSZLPOTF-UWJYYQICSA-N 1 1 334.463 4.473 20 30 EIEDMO N#CCCCC[C@@H]([NH3+])c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000846769213 1048892476 /nfs/dbraw/zinc/89/24/76/1048892476.db2.gz DUASXUIBLDOFNQ-GOSISDBHSA-N 1 1 346.434 4.334 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027843 1048982668 /nfs/dbraw/zinc/98/26/68/1048982668.db2.gz DFVILRHDTQRTKI-QZTJIDSGSA-N 1 1 332.447 4.026 20 30 EIEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847030363 1048983549 /nfs/dbraw/zinc/98/35/49/1048983549.db2.gz MLKPIBXIWOTFSA-SFHVURJKSA-N 1 1 332.447 4.027 20 30 EIEDMO CCN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000077249684 1048996108 /nfs/dbraw/zinc/99/61/08/1048996108.db2.gz SMWGFQUHEXXXLQ-UHFFFAOYSA-N 1 1 333.479 4.141 20 30 EIEDMO CC[NH+]1CCC(N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000077249684 1048996193 /nfs/dbraw/zinc/99/61/93/1048996193.db2.gz SMWGFQUHEXXXLQ-UHFFFAOYSA-N 1 1 333.479 4.141 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(Cl)cc1 ZINC000811516007 1049100560 /nfs/dbraw/zinc/10/05/60/1049100560.db2.gz AFMPXKFCHXKTAZ-QGZVFWFLSA-N 1 1 329.827 4.130 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811516259 1049130682 /nfs/dbraw/zinc/13/06/82/1049130682.db2.gz HZDHZVNBJHWLGX-MRXNPFEDSA-N 1 1 348.229 4.229 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/Cc3ccc(C#N)cc3C2=O)c2ccccn21 ZINC000811693985 1049232828 /nfs/dbraw/zinc/23/28/28/1049232828.db2.gz NHLPIJBXKFCOEG-WJDWOHSUSA-N 1 1 327.387 4.152 20 30 EIEDMO N#Cc1ccc(C[N@H+](CC[C@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600419 1049260336 /nfs/dbraw/zinc/26/03/36/1049260336.db2.gz KHZOWLYQSFFTKN-OAQYLSRUSA-N 1 1 338.426 4.269 20 30 EIEDMO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000811926952 1049321886 /nfs/dbraw/zinc/32/18/86/1049321886.db2.gz FYOLNUBXESNHEJ-QUCCMNQESA-N 1 1 347.547 4.171 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064557235 1049329348 /nfs/dbraw/zinc/32/93/48/1049329348.db2.gz ICIYOLXOYHAVEJ-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064557235 1049329357 /nfs/dbraw/zinc/32/93/57/1049329357.db2.gz ICIYOLXOYHAVEJ-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO N#Cc1cccc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000609893346 1049384679 /nfs/dbraw/zinc/38/46/79/1049384679.db2.gz HCIXEKADUXLYDD-GOSISDBHSA-N 1 1 340.858 4.073 20 30 EIEDMO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000348206580 1049494988 /nfs/dbraw/zinc/49/49/88/1049494988.db2.gz MJVBNXAJHPMEHB-KPZWWZAWSA-N 1 1 332.806 4.125 20 30 EIEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000773005123 1049518368 /nfs/dbraw/zinc/51/83/68/1049518368.db2.gz OMOCJNPNWRTPQA-DZGCQCFKSA-N 1 1 327.827 4.177 20 30 EIEDMO Cc1c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1-c1ccccc1 ZINC000773023487 1049537780 /nfs/dbraw/zinc/53/77/80/1049537780.db2.gz GGDUSNZRLOKXOZ-AWEZNQCLSA-N 1 1 334.398 4.042 20 30 EIEDMO C=C(C)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136949713 1049558667 /nfs/dbraw/zinc/55/86/67/1049558667.db2.gz HAJOMTDNHIUETB-UHFFFAOYSA-N 1 1 326.406 4.178 20 30 EIEDMO C=C(C)C[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136949713 1049558681 /nfs/dbraw/zinc/55/86/81/1049558681.db2.gz HAJOMTDNHIUETB-UHFFFAOYSA-N 1 1 326.406 4.178 20 30 EIEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000773077751 1049566269 /nfs/dbraw/zinc/56/62/69/1049566269.db2.gz IVALVFXVRMKCGZ-INIZCTEOSA-N 1 1 337.471 4.052 20 30 EIEDMO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000615239232 1049569149 /nfs/dbraw/zinc/56/91/49/1049569149.db2.gz RPAJVAWJAJBYCM-UHFFFAOYSA-N 1 1 340.467 4.125 20 30 EIEDMO CC#CCCCC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001133432852 1049579368 /nfs/dbraw/zinc/57/93/68/1049579368.db2.gz XJHVCINKSNVUHF-UHFFFAOYSA-N 1 1 340.511 4.131 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(Cl)c(OC)c(OCC)c1)c1ccc(F)cc1 ZINC000812792764 1049580519 /nfs/dbraw/zinc/58/05/19/1049580519.db2.gz HTFHEKONPIMLGC-KRWDZBQOSA-N 1 1 347.817 4.351 20 30 EIEDMO C=CC1(CC(=O)NCc2cccc(C[N@H+](C)CC)c2)CCCCC1 ZINC001136398808 1049581727 /nfs/dbraw/zinc/58/17/27/1049581727.db2.gz WZHZZKCCVZQWER-UHFFFAOYSA-N 1 1 328.500 4.281 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000812794249 1049590980 /nfs/dbraw/zinc/59/09/80/1049590980.db2.gz WRLYZBGYZWRWDM-KRWDZBQOSA-N 1 1 337.316 4.231 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000812794349 1049591442 /nfs/dbraw/zinc/59/14/42/1049591442.db2.gz ZFONSKWMXAWOJP-MRXNPFEDSA-N 1 1 336.179 4.191 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1cc2ccccc2cc1O ZINC001171399090 1049616731 /nfs/dbraw/zinc/61/67/31/1049616731.db2.gz BVWPZCCPWUYZBD-UHFFFAOYSA-N 1 1 330.391 4.088 20 30 EIEDMO COC(=O)c1cc2cc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400312 1049622088 /nfs/dbraw/zinc/62/20/88/1049622088.db2.gz VXIYIXOLJIMJLX-CQSZACIVSA-N 1 1 348.402 4.284 20 30 EIEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171527218 1049750047 /nfs/dbraw/zinc/75/00/47/1049750047.db2.gz ABDLQIQXDDSXJU-INIZCTEOSA-N 1 1 344.380 4.377 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171527218 1049750056 /nfs/dbraw/zinc/75/00/56/1049750056.db2.gz ABDLQIQXDDSXJU-INIZCTEOSA-N 1 1 344.380 4.377 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC001171613680 1049765321 /nfs/dbraw/zinc/76/53/21/1049765321.db2.gz OPDGJSZPDILMDL-IKGGRYGDSA-N 1 1 349.519 4.036 20 30 EIEDMO N#C[C@@H]1CCC[N@H+]1C1CCC(c2ccc(Br)cc2)CC1 ZINC001171650535 1049771394 /nfs/dbraw/zinc/77/13/94/1049771394.db2.gz TWEGZQYGOAVTDU-PREGVCBESA-N 1 1 333.273 4.463 20 30 EIEDMO N#C[C@@H]1CCC[N@@H+]1C1CCC(c2ccc(Br)cc2)CC1 ZINC001171650535 1049771399 /nfs/dbraw/zinc/77/13/99/1049771399.db2.gz TWEGZQYGOAVTDU-PREGVCBESA-N 1 1 333.273 4.463 20 30 EIEDMO CCCCC[C@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001212273561 1049773412 /nfs/dbraw/zinc/77/34/12/1049773412.db2.gz ZYHPMBOJQBXFMB-ZDUSSCGKSA-N 1 1 339.226 4.495 20 30 EIEDMO CC1(C)C[C@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171963745 1049825819 /nfs/dbraw/zinc/82/58/19/1049825819.db2.gz JAEFDVGVWOAXBV-OAQYLSRUSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171963745 1049825821 /nfs/dbraw/zinc/82/58/21/1049825821.db2.gz JAEFDVGVWOAXBV-OAQYLSRUSA-N 1 1 333.479 4.091 20 30 EIEDMO CCCCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984607 1049839814 /nfs/dbraw/zinc/83/98/14/1049839814.db2.gz NSNFJZYRNRDDBX-HXUWFJFHSA-N 1 1 327.516 4.445 20 30 EIEDMO CC1(C)CC(=O)C=C(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983737 1049840344 /nfs/dbraw/zinc/84/03/44/1049840344.db2.gz PYNWZEYDVMDKDV-SFHVURJKSA-N 1 1 340.511 4.292 20 30 EIEDMO N#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172073565 1049845621 /nfs/dbraw/zinc/84/56/21/1049845621.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 1 1 337.511 4.198 20 30 EIEDMO N#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172073565 1049845627 /nfs/dbraw/zinc/84/56/27/1049845627.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 1 1 337.511 4.198 20 30 EIEDMO CC(C)C[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066687 1049850951 /nfs/dbraw/zinc/85/09/51/1049850951.db2.gz CNENVHDBYOIORT-KJJMTIBFSA-N 1 1 339.527 4.490 20 30 EIEDMO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066698 1049851347 /nfs/dbraw/zinc/85/13/47/1049851347.db2.gz CNENVHDBYOIORT-YUMYIRISSA-N 1 1 339.527 4.490 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000823617260 1049863348 /nfs/dbraw/zinc/86/33/48/1049863348.db2.gz HXBXGPFPPSKUBV-SGTLLEGYSA-N 1 1 332.806 4.077 20 30 EIEDMO C=CCCCC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000823638489 1049864968 /nfs/dbraw/zinc/86/49/68/1049864968.db2.gz SBCVSIUGFXONEN-QFBILLFUSA-N 1 1 327.472 4.243 20 30 EIEDMO C=CCCCC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000823638487 1049865219 /nfs/dbraw/zinc/86/52/19/1049865219.db2.gz SBCVSIUGFXONEN-LPHOPBHVSA-N 1 1 327.472 4.243 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172308426 1049874728 /nfs/dbraw/zinc/87/47/28/1049874728.db2.gz XVCUAQAKHWGVBW-LJQANCHMSA-N 1 1 347.506 4.086 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310589 1049874814 /nfs/dbraw/zinc/87/48/14/1049874814.db2.gz GITNBRMFVPZTKT-XMSQKQJNSA-N 1 1 348.490 4.453 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172309397 1049874827 /nfs/dbraw/zinc/87/48/27/1049874827.db2.gz TYJMGMNEMZIWGQ-AWEZNQCLSA-N 1 1 347.384 4.078 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001172316795 1049876427 /nfs/dbraw/zinc/87/64/27/1049876427.db2.gz XRFFDHIAYDFPAM-IBGZPJMESA-N 1 1 347.506 4.086 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320605 1049877452 /nfs/dbraw/zinc/87/74/52/1049877452.db2.gz WRVPEYMVIBQPGT-QRWLVFNGSA-N 1 1 340.467 4.418 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001172353759 1049893344 /nfs/dbraw/zinc/89/33/44/1049893344.db2.gz BHMLHANXRUGZAV-IBGZPJMESA-N 1 1 340.552 4.085 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001172362010 1049896060 /nfs/dbraw/zinc/89/60/60/1049896060.db2.gz QSEHTDKLNVCKFH-MRXNPFEDSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001172362010 1049896062 /nfs/dbraw/zinc/89/60/62/1049896062.db2.gz QSEHTDKLNVCKFH-MRXNPFEDSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001172362301 1049896470 /nfs/dbraw/zinc/89/64/70/1049896470.db2.gz UTKCFZOKEAIWLL-HNNXBMFYSA-N 1 1 336.476 4.349 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001172362301 1049896471 /nfs/dbraw/zinc/89/64/71/1049896471.db2.gz UTKCFZOKEAIWLL-HNNXBMFYSA-N 1 1 336.476 4.349 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](CCC)CCCCCC ZINC001172387557 1049904793 /nfs/dbraw/zinc/90/47/93/1049904793.db2.gz LSFHLAXTFKZKES-IEBWSBKVSA-N 1 1 348.535 4.056 20 30 EIEDMO C=C(Br)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180565049 1049918605 /nfs/dbraw/zinc/91/86/05/1049918605.db2.gz PFLYPJIXQFCQOA-LLVKDONJSA-N 1 1 326.131 4.317 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495500 1049921407 /nfs/dbraw/zinc/92/14/07/1049921407.db2.gz FILPZMAGUIVZSM-PXNSSMCTSA-N 1 1 349.519 4.182 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001172492373 1049922052 /nfs/dbraw/zinc/92/20/52/1049922052.db2.gz KNADNVDAAHXRBS-QGZVFWFLSA-N 1 1 349.519 4.182 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001172498900 1049922593 /nfs/dbraw/zinc/92/25/93/1049922593.db2.gz SQEJRGLQOGDTJX-NQIIRXRSSA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@H](CCCC#N)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001172498900 1049922594 /nfs/dbraw/zinc/92/25/94/1049922594.db2.gz SQEJRGLQOGDTJX-NQIIRXRSSA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@H](CCCC#N)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001172498900 1049922595 /nfs/dbraw/zinc/92/25/95/1049922595.db2.gz SQEJRGLQOGDTJX-NQIIRXRSSA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001172498850 1049923227 /nfs/dbraw/zinc/92/32/27/1049923227.db2.gz RTFLCSWCIZYHSG-HNNXBMFYSA-N 1 1 343.471 4.474 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172510463 1049925190 /nfs/dbraw/zinc/92/51/90/1049925190.db2.gz CJRWBDAXBBSQCL-CADBVGFASA-N 1 1 339.520 4.168 20 30 EIEDMO CC(C)[N@@H+]([C@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172508993 1049925240 /nfs/dbraw/zinc/92/52/40/1049925240.db2.gz IWKLYOBLTBLUDP-IAGOWNOFSA-N 1 1 337.508 4.179 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001172509776 1049925475 /nfs/dbraw/zinc/92/54/75/1049925475.db2.gz QIDSFALZKVVLHL-XJKSGUPXSA-N 1 1 326.362 4.161 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001172509776 1049925478 /nfs/dbraw/zinc/92/54/78/1049925478.db2.gz QIDSFALZKVVLHL-XJKSGUPXSA-N 1 1 326.362 4.161 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172510465 1049925791 /nfs/dbraw/zinc/92/57/91/1049925791.db2.gz CJRWBDAXBBSQCL-OKYOBFRVSA-N 1 1 339.520 4.168 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)c1 ZINC001204091770 1049949012 /nfs/dbraw/zinc/94/90/12/1049949012.db2.gz SDXCLSPXDXDBGQ-FQEVSTJZSA-N 1 1 343.430 4.150 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1 ZINC001172651928 1049956426 /nfs/dbraw/zinc/95/64/26/1049956426.db2.gz UMAOLQGTNHLSAH-CEXWTWQISA-N 1 1 348.531 4.290 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCc3sccc3C2)c1 ZINC000617198779 1049965810 /nfs/dbraw/zinc/96/58/10/1049965810.db2.gz CIWKTWNWOOBATA-UHFFFAOYSA-N 1 1 347.281 4.331 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000617198779 1049965806 /nfs/dbraw/zinc/96/58/06/1049965806.db2.gz CIWKTWNWOOBATA-UHFFFAOYSA-N 1 1 347.281 4.331 20 30 EIEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368089 1050051841 /nfs/dbraw/zinc/05/18/41/1050051841.db2.gz UUKCEJVYXSELCT-HZPDHXFCSA-N 1 1 347.528 4.387 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC001212325535 1050061608 /nfs/dbraw/zinc/06/16/08/1050061608.db2.gz SZQXUNATTBEMBT-SFHVURJKSA-N 1 1 333.391 4.332 20 30 EIEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000248832316 1050079647 /nfs/dbraw/zinc/07/96/47/1050079647.db2.gz MKJUXYCNENPQBS-HATOLVCRSA-N 1 1 348.490 4.120 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000089888590 1050143264 /nfs/dbraw/zinc/14/32/64/1050143264.db2.gz QPOWNGGFXFJCOT-UHFFFAOYSA-N 1 1 337.423 4.177 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000089888590 1050143267 /nfs/dbraw/zinc/14/32/67/1050143267.db2.gz QPOWNGGFXFJCOT-UHFFFAOYSA-N 1 1 337.423 4.177 20 30 EIEDMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)C(C)C ZINC001177222696 1050168666 /nfs/dbraw/zinc/16/86/66/1050168666.db2.gz MJZSOBZTDBPPFJ-INIZCTEOSA-N 1 1 335.561 4.229 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909186 1050207156 /nfs/dbraw/zinc/20/71/56/1050207156.db2.gz PZZAQWVDFGBWIH-FQEVSTJZSA-N 1 1 349.434 4.258 20 30 EIEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483218 1050222237 /nfs/dbraw/zinc/22/22/37/1050222237.db2.gz JIAJDNRKKSWLCO-KRWDZBQOSA-N 1 1 327.516 4.088 20 30 EIEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483218 1050222247 /nfs/dbraw/zinc/22/22/47/1050222247.db2.gz JIAJDNRKKSWLCO-KRWDZBQOSA-N 1 1 327.516 4.088 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(OCC#N)cc1 ZINC000181650327 1050280012 /nfs/dbraw/zinc/28/00/12/1050280012.db2.gz UMJKTBMUJKZJSA-OAHLLOKOSA-N 1 1 333.391 4.095 20 30 EIEDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734699 1050318440 /nfs/dbraw/zinc/31/84/40/1050318440.db2.gz GYRBIDCGGGTEIN-ZWKOTPCHSA-N 1 1 343.515 4.140 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734699 1050318449 /nfs/dbraw/zinc/31/84/49/1050318449.db2.gz GYRBIDCGGGTEIN-ZWKOTPCHSA-N 1 1 343.515 4.140 20 30 EIEDMO Cc1cc(Br)sc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236834059 1050319284 /nfs/dbraw/zinc/31/92/84/1050319284.db2.gz REVMXWUHTUKRPY-CNDDSTCGSA-N 1 1 325.275 4.086 20 30 EIEDMO Cc1ccccc1CN1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000618273408 1050326062 /nfs/dbraw/zinc/32/60/62/1050326062.db2.gz ZCKVTMCUILMBQA-UHFFFAOYSA-N 1 1 327.516 4.223 20 30 EIEDMO Cc1ccccc1C[N@@H+]1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000618273408 1050326072 /nfs/dbraw/zinc/32/60/72/1050326072.db2.gz ZCKVTMCUILMBQA-UHFFFAOYSA-N 1 1 327.516 4.223 20 30 EIEDMO Cc1ccccc1C[N@H+]1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000618273408 1050326080 /nfs/dbraw/zinc/32/60/80/1050326080.db2.gz ZCKVTMCUILMBQA-UHFFFAOYSA-N 1 1 327.516 4.223 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OCC ZINC001177880391 1050331379 /nfs/dbraw/zinc/33/13/79/1050331379.db2.gz MCJAIEBBNFNZBO-UHFFFAOYSA-N 1 1 329.827 4.041 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249156 1050375713 /nfs/dbraw/zinc/37/57/13/1050375713.db2.gz YCZSBVGJDWUGOD-COPCDDAFSA-N 1 1 343.511 4.006 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CCCC)CC(C)C ZINC001173254941 1050379442 /nfs/dbraw/zinc/37/94/42/1050379442.db2.gz JGJONSOWSQEOLT-HKUYNNGSSA-N 1 1 333.520 4.127 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092390584 1050399513 /nfs/dbraw/zinc/39/95/13/1050399513.db2.gz BKMOYIOGWJMVIG-UHFFFAOYSA-N 1 1 347.934 4.070 20 30 EIEDMO N#Cc1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)ccn1 ZINC000618554067 1050412672 /nfs/dbraw/zinc/41/26/72/1050412672.db2.gz NXYPJHMNODDPTB-UHFFFAOYSA-N 1 1 332.234 4.429 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC001173322638 1050414271 /nfs/dbraw/zinc/41/42/71/1050414271.db2.gz HMCKGVXMPLEWCE-QNGMFEMESA-N 1 1 343.511 4.464 20 30 EIEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001173321707 1050414714 /nfs/dbraw/zinc/41/47/14/1050414714.db2.gz SCIVKFYSJWDYQX-ODMWJAAVSA-N 1 1 333.516 4.027 20 30 EIEDMO N#CCC1CCC([N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001173335896 1050425815 /nfs/dbraw/zinc/42/58/15/1050425815.db2.gz GMZLUXUJUVIWFN-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO COc1ccccc1S[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173336648 1050425873 /nfs/dbraw/zinc/42/58/73/1050425873.db2.gz HQOVJBDDHFSPAB-OFLPRAFFSA-N 1 1 330.497 4.334 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001173338805 1050428639 /nfs/dbraw/zinc/42/86/39/1050428639.db2.gz AHEZSMUYZBNRBG-MNLRITNHSA-N 1 1 325.500 4.055 20 30 EIEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341517 1050431085 /nfs/dbraw/zinc/43/10/85/1050431085.db2.gz YLGQVDDIPWFMET-LBXVMSDZSA-N 1 1 349.519 4.086 20 30 EIEDMO CC[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173598242 1050498908 /nfs/dbraw/zinc/49/89/08/1050498908.db2.gz OGAPDVKEGMCMJS-GNZRSQJKSA-N 1 1 349.519 4.180 20 30 EIEDMO C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173600361 1050502691 /nfs/dbraw/zinc/50/26/91/1050502691.db2.gz CJACYXCKSRCYLB-OQJVAOMSSA-N 1 1 349.519 4.227 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000618779162 1050520062 /nfs/dbraw/zinc/52/00/62/1050520062.db2.gz BPMGCZKASRWBSI-LJQANCHMSA-N 1 1 328.843 4.340 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ncc(Br)s1 ZINC000618801910 1050533747 /nfs/dbraw/zinc/53/37/47/1050533747.db2.gz BMTSYUFHJLTRSX-TVQRCGJNSA-N 1 1 348.269 4.115 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1O ZINC000093445093 1050601783 /nfs/dbraw/zinc/60/17/83/1050601783.db2.gz ZBKAOKIZAMJTLL-LJQANCHMSA-N 1 1 338.451 4.170 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc(OC)c1O ZINC001179432398 1050691664 /nfs/dbraw/zinc/69/16/64/1050691664.db2.gz AMVHYXDOJLLLFY-QUCCMNQESA-N 1 1 341.426 4.245 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]Cc2cc(O)ccc2Cl)ccc1OC ZINC001179457600 1050700452 /nfs/dbraw/zinc/70/04/52/1050700452.db2.gz HXRXDEADTWCJIN-UHFFFAOYSA-N 1 1 347.842 4.299 20 30 EIEDMO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000775167387 1050782933 /nfs/dbraw/zinc/78/29/33/1050782933.db2.gz FXILNLGFCBAFDH-UHFFFAOYSA-N 1 1 325.431 4.116 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCCC2 ZINC000619755215 1050885207 /nfs/dbraw/zinc/88/52/07/1050885207.db2.gz CUPLHIVREIOLRY-LLVKDONJSA-N 1 1 331.872 4.398 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749001 1050896222 /nfs/dbraw/zinc/89/62/22/1050896222.db2.gz VUBZYYHOPKTBQI-HNAYVOBHSA-N 1 1 339.870 4.137 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619749001 1050896227 /nfs/dbraw/zinc/89/62/27/1050896227.db2.gz VUBZYYHOPKTBQI-HNAYVOBHSA-N 1 1 339.870 4.137 20 30 EIEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815992 1050919057 /nfs/dbraw/zinc/91/90/57/1050919057.db2.gz DGSAIMLEMPZIOB-UXHICEINSA-N 1 1 346.478 4.042 20 30 EIEDMO Cc1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224765 1050919314 /nfs/dbraw/zinc/91/93/14/1050919314.db2.gz JBMVCDVTGJICJT-QFIPXVFZSA-N 1 1 334.463 4.090 20 30 EIEDMO N#Cc1cc(Nc2c[nH+]c3ccc(Br)cn23)ccc1Cl ZINC001174401828 1050920112 /nfs/dbraw/zinc/92/01/12/1050920112.db2.gz VHXZEVRGARZNSG-UHFFFAOYSA-N 1 1 347.603 4.365 20 30 EIEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2[nH+]cn3ccccc23)c1 ZINC001189282025 1050944174 /nfs/dbraw/zinc/94/41/74/1050944174.db2.gz QAPCPFNLDNWACN-UHFFFAOYSA-N 1 1 348.450 4.102 20 30 EIEDMO CC(C)c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c(C#N)c1 ZINC001174445320 1050977617 /nfs/dbraw/zinc/97/76/17/1050977617.db2.gz COAKWTYXXJBKES-UHFFFAOYSA-N 1 1 335.451 4.257 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nccn1C ZINC000183428675 1051121983 /nfs/dbraw/zinc/12/19/83/1051121983.db2.gz RVMZBPDBQBIRSL-HXUWFJFHSA-N 1 1 330.435 4.200 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763619726 1051139640 /nfs/dbraw/zinc/13/96/40/1051139640.db2.gz AZXICNCTWVGZRX-ZDUSSCGKSA-N 1 1 332.806 4.402 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001190349380 1051159501 /nfs/dbraw/zinc/15/95/01/1051159501.db2.gz WCOCGEZYCHQLQI-QFIPXVFZSA-N 1 1 333.479 4.045 20 30 EIEDMO CCCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190349380 1051159507 /nfs/dbraw/zinc/15/95/07/1051159507.db2.gz WCOCGEZYCHQLQI-QFIPXVFZSA-N 1 1 333.479 4.045 20 30 EIEDMO CCCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190349380 1051159511 /nfs/dbraw/zinc/15/95/11/1051159511.db2.gz WCOCGEZYCHQLQI-QFIPXVFZSA-N 1 1 333.479 4.045 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC2C[C@H](C)C[C@@H](C)C2)c1 ZINC001190400324 1051169213 /nfs/dbraw/zinc/16/92/13/1051169213.db2.gz YBAWZDYNDDNACK-IAGOWNOFSA-N 1 1 326.484 4.001 20 30 EIEDMO C=CC[N@@H+](CCC(=O)Nc1cc(F)ccc1C)CCc1ccccc1 ZINC001190700158 1051248265 /nfs/dbraw/zinc/24/82/65/1051248265.db2.gz VLOVPTZIGSOLDG-UHFFFAOYSA-N 1 1 340.442 4.193 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(OCC(C)C)c1 ZINC001190707785 1051249093 /nfs/dbraw/zinc/24/90/93/1051249093.db2.gz MZGDFYXUMPNJEC-UHFFFAOYSA-N 1 1 325.427 4.496 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OCC(C)C)c1 ZINC001190707785 1051249108 /nfs/dbraw/zinc/24/91/08/1051249108.db2.gz MZGDFYXUMPNJEC-UHFFFAOYSA-N 1 1 325.427 4.496 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@]1(C)Br ZINC001181707673 1051281956 /nfs/dbraw/zinc/28/19/56/1051281956.db2.gz OBWDQYKBJDFJCJ-CVEARBPZSA-N 1 1 340.309 4.016 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@]1(C)Br ZINC001181707673 1051281974 /nfs/dbraw/zinc/28/19/74/1051281974.db2.gz OBWDQYKBJDFJCJ-CVEARBPZSA-N 1 1 340.309 4.016 20 30 EIEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001191121624 1051355852 /nfs/dbraw/zinc/35/58/52/1051355852.db2.gz FMLWYDCNDLOJHB-QUCCMNQESA-N 1 1 345.531 4.167 20 30 EIEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001191121622 1051356532 /nfs/dbraw/zinc/35/65/32/1051356532.db2.gz FMLWYDCNDLOJHB-AZUAARDMSA-N 1 1 345.531 4.167 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+]C/C=C\c1ccc(Br)cc1 ZINC001181972576 1051372882 /nfs/dbraw/zinc/37/28/82/1051372882.db2.gz RZGFLHFRUVEOHK-IHWYPQMZSA-N 1 1 345.215 4.263 20 30 EIEDMO CCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001191174617 1051373122 /nfs/dbraw/zinc/37/31/22/1051373122.db2.gz PNPCBGPHYBBVGW-OTWHNJEPSA-N 1 1 331.887 4.217 20 30 EIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213773 1051387550 /nfs/dbraw/zinc/38/75/50/1051387550.db2.gz KNAXYIMXZZRYRJ-SFTDATJTSA-N 1 1 347.462 4.073 20 30 EIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245849 1051408747 /nfs/dbraw/zinc/40/87/47/1051408747.db2.gz VCRYLSBUUCRZBE-UGSOOPFHSA-N 1 1 339.370 4.189 20 30 EIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191245849 1051408751 /nfs/dbraw/zinc/40/87/51/1051408751.db2.gz VCRYLSBUUCRZBE-UGSOOPFHSA-N 1 1 339.370 4.189 20 30 EIEDMO CC(C)[C@H](CO)[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306527 1051421478 /nfs/dbraw/zinc/42/14/78/1051421478.db2.gz QLTVUBMTEYHMLL-NRFANRHFSA-N 1 1 341.882 4.211 20 30 EIEDMO COc1ccc(C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2Cl)cc1 ZINC001191495717 1051467368 /nfs/dbraw/zinc/46/73/68/1051467368.db2.gz MTQIRSFCKPNVFQ-SFHVURJKSA-N 1 1 325.839 4.017 20 30 EIEDMO COc1ccc(C[C@@H]2CC[N@H+]2CC#Cc2ccccc2Cl)cc1 ZINC001191495717 1051467374 /nfs/dbraw/zinc/46/73/74/1051467374.db2.gz MTQIRSFCKPNVFQ-SFHVURJKSA-N 1 1 325.839 4.017 20 30 EIEDMO CCOCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc21 ZINC001175301381 1051488544 /nfs/dbraw/zinc/48/85/44/1051488544.db2.gz RXWTUUJUAATQKJ-HXUWFJFHSA-N 1 1 338.426 4.223 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001191626404 1051494496 /nfs/dbraw/zinc/49/44/96/1051494496.db2.gz IIWKUWHZDMMCHB-IRLDBZIGSA-N 1 1 332.447 4.338 20 30 EIEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191773953 1051531433 /nfs/dbraw/zinc/53/14/33/1051531433.db2.gz QDXZTQBCBYKNIQ-NHCUHLMSSA-N 1 1 337.442 4.159 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175445025 1051596151 /nfs/dbraw/zinc/59/61/51/1051596151.db2.gz TUUQOBMBZHTXCY-LBPRGKRZSA-N 1 1 329.787 4.313 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001182462251 1051596104 /nfs/dbraw/zinc/59/61/04/1051596104.db2.gz OHKFLZWXANAMPJ-UHFFFAOYSA-N 1 1 325.839 4.219 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCc2cc(C)ccc2C1 ZINC001182462251 1051596114 /nfs/dbraw/zinc/59/61/14/1051596114.db2.gz OHKFLZWXANAMPJ-UHFFFAOYSA-N 1 1 325.839 4.219 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175445025 1051596164 /nfs/dbraw/zinc/59/61/64/1051596164.db2.gz TUUQOBMBZHTXCY-LBPRGKRZSA-N 1 1 329.787 4.313 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C[C@@H]2C[C@H]2C(=O)OCC)C(C)(C)C)cc1 ZINC001192052967 1051626709 /nfs/dbraw/zinc/62/67/09/1051626709.db2.gz RTQKVKFSFDJVAF-PKOBYXMFSA-N 1 1 345.483 4.051 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506732 1051646336 /nfs/dbraw/zinc/64/63/36/1051646336.db2.gz CWVYNSWTLUIHTB-BWAGFHJFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506732 1051646345 /nfs/dbraw/zinc/64/63/45/1051646345.db2.gz CWVYNSWTLUIHTB-BWAGFHJFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506732 1051646361 /nfs/dbraw/zinc/64/63/61/1051646361.db2.gz CWVYNSWTLUIHTB-BWAGFHJFSA-N 1 1 335.495 4.199 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000775506732 1051646370 /nfs/dbraw/zinc/64/63/70/1051646370.db2.gz CWVYNSWTLUIHTB-BWAGFHJFSA-N 1 1 335.495 4.199 20 30 EIEDMO CCCCCCCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001192244218 1051664592 /nfs/dbraw/zinc/66/45/92/1051664592.db2.gz WECFMLXQFWXRLD-UHFFFAOYSA-N 1 1 336.907 4.345 20 30 EIEDMO CCCCCCCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001192244218 1051664602 /nfs/dbraw/zinc/66/46/02/1051664602.db2.gz WECFMLXQFWXRLD-UHFFFAOYSA-N 1 1 336.907 4.345 20 30 EIEDMO CC#CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182772095 1051707545 /nfs/dbraw/zinc/70/75/45/1051707545.db2.gz QMNOOAZKICYXNH-LJQANCHMSA-N 1 1 332.532 4.264 20 30 EIEDMO COc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1Cl ZINC001175770714 1051777447 /nfs/dbraw/zinc/77/74/47/1051777447.db2.gz HBDLYTIRAGMUTG-UHFFFAOYSA-N 1 1 333.844 4.013 20 30 EIEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(Cl)ccc1OC(F)F ZINC001192627611 1051783137 /nfs/dbraw/zinc/78/31/37/1051783137.db2.gz YGIBRVKTPYNARI-JTQLQIEISA-N 1 1 337.757 4.059 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2ccccn2)c1 ZINC001183419805 1051841211 /nfs/dbraw/zinc/84/12/11/1051841211.db2.gz SHNGESVBIYVBHF-UHFFFAOYSA-N 1 1 327.431 4.295 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC001183570397 1051863670 /nfs/dbraw/zinc/86/36/70/1051863670.db2.gz ADQBODLXJZYSTI-QGZVFWFLSA-N 1 1 345.215 4.237 20 30 EIEDMO N#CCC1(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC001193188479 1051888998 /nfs/dbraw/zinc/88/89/98/1051888998.db2.gz LWFNZWQCBLHSHU-OAHLLOKOSA-N 1 1 337.236 4.419 20 30 EIEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC001193188479 1051889000 /nfs/dbraw/zinc/88/90/00/1051889000.db2.gz LWFNZWQCBLHSHU-OAHLLOKOSA-N 1 1 337.236 4.419 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823242 1051908602 /nfs/dbraw/zinc/90/86/02/1051908602.db2.gz QUKMRDCEVULPFU-XLIONFOSSA-N 1 1 349.519 4.039 20 30 EIEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC001193615776 1051955061 /nfs/dbraw/zinc/95/50/61/1051955061.db2.gz FKTORQPKTYZJSE-OAQYLSRUSA-N 1 1 337.850 4.213 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC001193615776 1051955068 /nfs/dbraw/zinc/95/50/68/1051955068.db2.gz FKTORQPKTYZJSE-OAQYLSRUSA-N 1 1 337.850 4.213 20 30 EIEDMO C=CCC[N@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC001193742706 1051979767 /nfs/dbraw/zinc/97/97/67/1051979767.db2.gz FFIHFUIMEKNJBJ-UHFFFAOYSA-N 1 1 329.415 4.421 20 30 EIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001194262259 1052119611 /nfs/dbraw/zinc/11/96/11/1052119611.db2.gz LPCOALPPVVUOFW-OAQYLSRUSA-N 1 1 349.434 4.410 20 30 EIEDMO C=CCC[C@H]1CCC[N@H+]1Cc1occ(C(F)(F)F)c1C(=O)OCC ZINC001176770888 1052192687 /nfs/dbraw/zinc/19/26/87/1052192687.db2.gz AXQCLKCTTDWLPK-LBPRGKRZSA-N 1 1 345.361 4.406 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1occ(C(F)(F)F)c1C(=O)OCC ZINC001176770888 1052192693 /nfs/dbraw/zinc/19/26/93/1052192693.db2.gz AXQCLKCTTDWLPK-LBPRGKRZSA-N 1 1 345.361 4.406 20 30 EIEDMO C[C@H](C#N)Oc1ccc(CNC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000185158469 1052495490 /nfs/dbraw/zinc/49/54/90/1052495490.db2.gz GXJUXFQHCFWIPF-GOSISDBHSA-N 1 1 343.515 4.112 20 30 EIEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000112357589 1052646738 /nfs/dbraw/zinc/64/67/38/1052646738.db2.gz UWWGRELOJREHEW-GOSISDBHSA-N 1 1 341.480 4.196 20 30 EIEDMO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744599 1053079207 /nfs/dbraw/zinc/07/92/07/1053079207.db2.gz ISURGQNIYIDUBL-JXFKEZNVSA-N 1 1 335.451 4.291 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001194818788 1053115438 /nfs/dbraw/zinc/11/54/38/1053115438.db2.gz ZKXGCXQCLOEXDC-KRWDZBQOSA-N 1 1 335.451 4.358 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001194818790 1053117881 /nfs/dbraw/zinc/11/78/81/1053117881.db2.gz ZKXGCXQCLOEXDC-QGZVFWFLSA-N 1 1 335.451 4.358 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850351933 1053123535 /nfs/dbraw/zinc/12/35/35/1053123535.db2.gz KAHCENBGGZFKJH-QFBILLFUSA-N 1 1 342.487 4.423 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001194921324 1053172455 /nfs/dbraw/zinc/17/24/55/1053172455.db2.gz YISOBHJHOILKMV-LJQANCHMSA-N 1 1 347.503 4.133 20 30 EIEDMO CCCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001194921324 1053172504 /nfs/dbraw/zinc/17/25/04/1053172504.db2.gz YISOBHJHOILKMV-LJQANCHMSA-N 1 1 347.503 4.133 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775623774 1053189701 /nfs/dbraw/zinc/18/97/01/1053189701.db2.gz NQGMCTSONYHPCA-UXHICEINSA-N 1 1 340.854 4.300 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775623774 1053189724 /nfs/dbraw/zinc/18/97/24/1053189724.db2.gz NQGMCTSONYHPCA-UXHICEINSA-N 1 1 340.854 4.300 20 30 EIEDMO CCC[N@@H+](C)[C@@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679818 1053259999 /nfs/dbraw/zinc/25/99/99/1053259999.db2.gz JFFBEIOZFNOLFI-WCEBZYJUSA-N 1 1 346.858 4.253 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794708382 1053334005 /nfs/dbraw/zinc/33/40/05/1053334005.db2.gz ZQXVNLBFLLMRSP-HNNXBMFYSA-N 1 1 334.533 4.193 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794708382 1053334021 /nfs/dbraw/zinc/33/40/21/1053334021.db2.gz ZQXVNLBFLLMRSP-HNNXBMFYSA-N 1 1 334.533 4.193 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1 ZINC001195279964 1053358955 /nfs/dbraw/zinc/35/89/55/1053358955.db2.gz QJXAFPPQYKUVNI-RBUKOAKNSA-N 1 1 326.484 4.143 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001195393244 1053396432 /nfs/dbraw/zinc/39/64/32/1053396432.db2.gz CAHXJNVSWTXQSY-IBGZPJMESA-N 1 1 342.483 4.343 20 30 EIEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC001195464365 1053407480 /nfs/dbraw/zinc/40/74/80/1053407480.db2.gz UEZWPZPWPUIHAA-LBPRGKRZSA-N 1 1 326.665 4.338 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC001195464365 1053407490 /nfs/dbraw/zinc/40/74/90/1053407490.db2.gz UEZWPZPWPUIHAA-LBPRGKRZSA-N 1 1 326.665 4.338 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000765087738 1053436912 /nfs/dbraw/zinc/43/69/12/1053436912.db2.gz MDGBFQNALBCFGD-HNNXBMFYSA-N 1 1 348.475 4.051 20 30 EIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccns1 ZINC001195977410 1053538959 /nfs/dbraw/zinc/53/89/59/1053538959.db2.gz FMIWBKDAFBITPF-UHFFFAOYSA-N 1 1 347.487 4.475 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccns1 ZINC001195977410 1053538970 /nfs/dbraw/zinc/53/89/70/1053538970.db2.gz FMIWBKDAFBITPF-UHFFFAOYSA-N 1 1 347.487 4.475 20 30 EIEDMO CC(C)([NH2+]Cc1cc(F)ccc1Br)c1cccc(C#N)c1 ZINC001196039996 1053569141 /nfs/dbraw/zinc/56/91/41/1053569141.db2.gz SQENPZFUSNJYHF-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852333187 1053569844 /nfs/dbraw/zinc/56/98/44/1053569844.db2.gz ZJZLEEUPSQQZJX-DENIHFKCSA-N 1 1 331.463 4.059 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852333187 1053569853 /nfs/dbraw/zinc/56/98/53/1053569853.db2.gz ZJZLEEUPSQQZJX-DENIHFKCSA-N 1 1 331.463 4.059 20 30 EIEDMO CC(C)O[C@H](C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333472 1053570158 /nfs/dbraw/zinc/57/01/58/1053570158.db2.gz NLUDRPKXSMXGPR-IFMALSPDSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)O[C@H](C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333472 1053570167 /nfs/dbraw/zinc/57/01/67/1053570167.db2.gz NLUDRPKXSMXGPR-IFMALSPDSA-N 1 1 349.478 4.105 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852333189 1053570867 /nfs/dbraw/zinc/57/08/67/1053570867.db2.gz ZJZLEEUPSQQZJX-KNQAVFIVSA-N 1 1 331.463 4.059 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852333189 1053570876 /nfs/dbraw/zinc/57/08/76/1053570876.db2.gz ZJZLEEUPSQQZJX-KNQAVFIVSA-N 1 1 331.463 4.059 20 30 EIEDMO CC(C)O[C@@H](C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333474 1053572936 /nfs/dbraw/zinc/57/29/36/1053572936.db2.gz NLUDRPKXSMXGPR-RBBKRZOGSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)O[C@@H](C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333474 1053572948 /nfs/dbraw/zinc/57/29/48/1053572948.db2.gz NLUDRPKXSMXGPR-RBBKRZOGSA-N 1 1 349.478 4.105 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000852410358 1053575092 /nfs/dbraw/zinc/57/50/92/1053575092.db2.gz LJMNALZDUKVCPP-GOSISDBHSA-N 1 1 328.500 4.090 20 30 EIEDMO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000921521493 1053576550 /nfs/dbraw/zinc/57/65/50/1053576550.db2.gz PSBDJJIUZSAQHZ-SNVBAGLBSA-N 1 1 332.379 4.215 20 30 EIEDMO C[C@H](C#N)OCC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564109 1053588829 /nfs/dbraw/zinc/58/88/29/1053588829.db2.gz LLFWWQMLTXLILC-FZKQIMNGSA-N 1 1 346.883 4.278 20 30 EIEDMO C[C@H](C#N)OCC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564109 1053588844 /nfs/dbraw/zinc/58/88/44/1053588844.db2.gz LLFWWQMLTXLILC-FZKQIMNGSA-N 1 1 346.883 4.278 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171972142 1053629965 /nfs/dbraw/zinc/62/99/65/1053629965.db2.gz JCAMYAZOANMPLT-ZDUSSCGKSA-N 1 1 344.256 4.299 20 30 EIEDMO C=CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196312358 1053630111 /nfs/dbraw/zinc/63/01/11/1053630111.db2.gz NGMLVIJQSBEZOA-KRWDZBQOSA-N 1 1 327.390 4.305 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC001196375237 1053651198 /nfs/dbraw/zinc/65/11/98/1053651198.db2.gz LKOGCLVCVGCTAA-NRFANRHFSA-N 1 1 349.478 4.036 20 30 EIEDMO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc2ccccc2[nH]1 ZINC000866241945 1053660277 /nfs/dbraw/zinc/66/02/77/1053660277.db2.gz IGGGCCWVJUJNDA-SCLBCKFNSA-N 1 1 334.423 4.188 20 30 EIEDMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866301172 1053682242 /nfs/dbraw/zinc/68/22/42/1053682242.db2.gz ZLQLLQHOHOPOIX-KGLIPLIRSA-N 1 1 334.423 4.045 20 30 EIEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622927 1053715199 /nfs/dbraw/zinc/71/51/99/1053715199.db2.gz MSECFXZPZGYMLI-AWEZNQCLSA-N 1 1 342.389 4.473 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000765574137 1053723074 /nfs/dbraw/zinc/72/30/74/1053723074.db2.gz FKQVSARFLWKBEP-FXAWDEMLSA-N 1 1 341.451 4.356 20 30 EIEDMO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001197002653 1053820518 /nfs/dbraw/zinc/82/05/18/1053820518.db2.gz CNRNNWATYMGPTR-IBGZPJMESA-N 1 1 343.833 4.343 20 30 EIEDMO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC001197002653 1053820519 /nfs/dbraw/zinc/82/05/19/1053820519.db2.gz CNRNNWATYMGPTR-IBGZPJMESA-N 1 1 343.833 4.343 20 30 EIEDMO CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CC[N@H+]1CCOCCC#N ZINC001197051930 1053825779 /nfs/dbraw/zinc/82/57/79/1053825779.db2.gz OLKXDKPWDZOAPY-INIZCTEOSA-N 1 1 340.389 4.204 20 30 EIEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2(C)C)c1 ZINC001197422599 1053904522 /nfs/dbraw/zinc/90/45/22/1053904522.db2.gz TXIFHNFIYGYYKF-IBGZPJMESA-N 1 1 338.426 4.474 20 30 EIEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000122184433 1053906617 /nfs/dbraw/zinc/90/66/17/1053906617.db2.gz NGKXLRJHMSJCFT-INIZCTEOSA-N 1 1 325.431 4.369 20 30 EIEDMO C=CCC1(O)CC[NH+](Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)CC1 ZINC001197929290 1054027776 /nfs/dbraw/zinc/02/77/76/1054027776.db2.gz GDYXXQSCNXZLGD-UHFFFAOYSA-N 1 1 348.556 4.296 20 30 EIEDMO C#CCCC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795122004 1054099706 /nfs/dbraw/zinc/09/97/06/1054099706.db2.gz MSEYOURJNHTSCL-JOCHJYFZSA-N 1 1 326.528 4.065 20 30 EIEDMO C#CCCCN1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795122004 1054099719 /nfs/dbraw/zinc/09/97/19/1054099719.db2.gz MSEYOURJNHTSCL-JOCHJYFZSA-N 1 1 326.528 4.065 20 30 EIEDMO C#CCCCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795122004 1054099734 /nfs/dbraw/zinc/09/97/34/1054099734.db2.gz MSEYOURJNHTSCL-JOCHJYFZSA-N 1 1 326.528 4.065 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001198244116 1054109814 /nfs/dbraw/zinc/10/98/14/1054109814.db2.gz ZYKWLIKWIJLWMY-JOCHJYFZSA-N 1 1 330.431 4.307 20 30 EIEDMO CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001198429948 1054143559 /nfs/dbraw/zinc/14/35/59/1054143559.db2.gz PRAHKJHIDUNMGW-CQSZACIVSA-N 1 1 345.512 4.092 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534401 1054177130 /nfs/dbraw/zinc/17/71/30/1054177130.db2.gz XDWKUFUWRGYEII-UHFFFAOYSA-N 1 1 330.435 4.197 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534401 1054177140 /nfs/dbraw/zinc/17/71/40/1054177140.db2.gz XDWKUFUWRGYEII-UHFFFAOYSA-N 1 1 330.435 4.197 20 30 EIEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC001198666907 1054228309 /nfs/dbraw/zinc/22/83/09/1054228309.db2.gz GWYVIFWAAAEJNN-VSZNYVQBSA-N 1 1 334.504 4.149 20 30 EIEDMO COC(=O)c1ccc(-c2ccc(C[N@H+](CCC#N)CC(C)C)o2)cc1 ZINC000775898087 1054283971 /nfs/dbraw/zinc/28/39/71/1054283971.db2.gz QZYXQDCBULXWCM-UHFFFAOYSA-N 1 1 340.423 4.105 20 30 EIEDMO COC(=O)c1ccc(-c2ccc(C[N@@H+](CCC#N)CC(C)C)o2)cc1 ZINC000775898087 1054283995 /nfs/dbraw/zinc/28/39/95/1054283995.db2.gz QZYXQDCBULXWCM-UHFFFAOYSA-N 1 1 340.423 4.105 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000872183230 1054423540 /nfs/dbraw/zinc/42/35/40/1054423540.db2.gz CXKGHGKNEISEOT-CYBMUJFWSA-N 1 1 340.254 4.386 20 30 EIEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000858146807 1054425450 /nfs/dbraw/zinc/42/54/50/1054425450.db2.gz BGVILFVHTBSDEW-UHFFFAOYSA-N 1 1 346.427 4.004 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776002513 1054437353 /nfs/dbraw/zinc/43/73/53/1054437353.db2.gz FBVCXQIODQHWRY-YLJYHZDGSA-N 1 1 325.452 4.283 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000859162278 1054635894 /nfs/dbraw/zinc/63/58/94/1054635894.db2.gz XRKABBMBGYMLEX-ZWKOTPCHSA-N 1 1 326.465 4.016 20 30 EIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486447 1054815483 /nfs/dbraw/zinc/81/54/83/1054815483.db2.gz JTQHXPXESCXXBM-TZIWHRDSSA-N 1 1 332.532 4.402 20 30 EIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C#N ZINC001201477648 1054828985 /nfs/dbraw/zinc/82/89/85/1054828985.db2.gz KDGPFJCOLGWOFY-YADHBBJMSA-N 1 1 340.430 4.163 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201852897 1054923401 /nfs/dbraw/zinc/92/34/01/1054923401.db2.gz QVBDNGHPUJXPCP-LJQANCHMSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201838658 1054930774 /nfs/dbraw/zinc/93/07/74/1054930774.db2.gz BHWMYWOXUSUVFQ-IFMALSPDSA-N 1 1 342.527 4.343 20 30 EIEDMO CCCCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001201847317 1054933448 /nfs/dbraw/zinc/93/34/48/1054933448.db2.gz UXCSDKNBQSITQX-ZWKOTPCHSA-N 1 1 332.488 4.177 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000876912285 1054980007 /nfs/dbraw/zinc/98/00/07/1054980007.db2.gz SZVDPGICJLQOHI-AWEZNQCLSA-N 1 1 333.819 4.072 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(N2CCCC2)c1 ZINC000877109275 1055019070 /nfs/dbraw/zinc/01/90/70/1055019070.db2.gz DZVZIMHLBZEINW-AWEZNQCLSA-N 1 1 340.858 4.058 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)COC)cc1)c1ccc(Cl)cc1 ZINC000825948806 1055035436 /nfs/dbraw/zinc/03/54/36/1055035436.db2.gz KMPQGUYRABUZJE-MGPUTAFESA-N 1 1 343.854 4.218 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000877657073 1055101248 /nfs/dbraw/zinc/10/12/48/1055101248.db2.gz HGIZUNDIWZTSOZ-INIZCTEOSA-N 1 1 332.234 4.427 20 30 EIEDMO CC(C)([NH2+]Cc1cc(C#N)cs1)c1nc2cc(Cl)ccc2o1 ZINC000877667818 1055104137 /nfs/dbraw/zinc/10/41/37/1055104137.db2.gz BDIFGTDJHHXPOB-UHFFFAOYSA-N 1 1 331.828 4.439 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822552 1055127389 /nfs/dbraw/zinc/12/73/89/1055127389.db2.gz RJWHLRDHZGNACD-CZUORRHYSA-N 1 1 340.389 4.029 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903637 1055150140 /nfs/dbraw/zinc/15/01/40/1055150140.db2.gz ZILHSWGVTIEIMZ-QUCCMNQESA-N 1 1 338.476 4.326 20 30 EIEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929537 1055155556 /nfs/dbraw/zinc/15/55/56/1055155556.db2.gz GVPRXMCCOUNKCD-JOCHJYFZSA-N 1 1 334.463 4.258 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159572 1055195595 /nfs/dbraw/zinc/19/55/95/1055195595.db2.gz YZKOMXUITAIYSO-JOCHJYFZSA-N 1 1 346.430 4.305 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159572 1055195600 /nfs/dbraw/zinc/19/56/00/1055195600.db2.gz YZKOMXUITAIYSO-JOCHJYFZSA-N 1 1 346.430 4.305 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000126943452 1055198140 /nfs/dbraw/zinc/19/81/40/1055198140.db2.gz FYYAAJYORZLXTR-QFBILLFUSA-N 1 1 338.426 4.181 20 30 EIEDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000878216759 1055211747 /nfs/dbraw/zinc/21/17/47/1055211747.db2.gz NHDGPFPUBSYQCO-TYKWCNGQSA-N 1 1 338.426 4.125 20 30 EIEDMO C=CC1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000111259620 1055217149 /nfs/dbraw/zinc/21/71/49/1055217149.db2.gz PPOLGWOTXDLIIZ-HNNXBMFYSA-N 1 1 347.528 4.095 20 30 EIEDMO CCC1(CC)C[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CCS1 ZINC000878437533 1055311623 /nfs/dbraw/zinc/31/16/23/1055311623.db2.gz ONRBDCADNNXISI-FQEVSTJZSA-N 1 1 344.524 4.035 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000127175829 1055338750 /nfs/dbraw/zinc/33/87/50/1055338750.db2.gz XXLLDWQOEJDZGD-MOPGFXCFSA-N 1 1 326.827 4.082 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649130 1055366114 /nfs/dbraw/zinc/36/61/14/1055366114.db2.gz XKKCMJWVRQGJTD-JTHBVZDNSA-N 1 1 346.474 4.307 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)s1 ZINC000123024687 1055761458 /nfs/dbraw/zinc/76/14/58/1055761458.db2.gz OJZVQZTWMQLNJV-UHFFFAOYSA-N 1 1 337.448 4.339 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420792 1055806814 /nfs/dbraw/zinc/80/68/14/1055806814.db2.gz JTZRCEDCZJRZTI-QUCCMNQESA-N 1 1 342.389 4.189 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OCC)c1)C1CC1 ZINC000542693808 1055836850 /nfs/dbraw/zinc/83/68/50/1055836850.db2.gz YOQARIZMYHBNGE-UHFFFAOYSA-N 1 1 329.362 4.177 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1Cl ZINC000542708589 1055853238 /nfs/dbraw/zinc/85/32/38/1055853238.db2.gz GQGHCYIQYHCEML-HNNXBMFYSA-N 1 1 335.875 4.296 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000301082466 1055893098 /nfs/dbraw/zinc/89/30/98/1055893098.db2.gz IFAWFTHDWXLHDE-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1cccs1 ZINC000301399961 1055931667 /nfs/dbraw/zinc/93/16/67/1055931667.db2.gz BKDXCVPGLWLSCE-PXAZEXFGSA-N 1 1 346.887 4.163 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301455415 1055938267 /nfs/dbraw/zinc/93/82/67/1055938267.db2.gz YRWYFDYHFZEDDO-KSSFIOAISA-N 1 1 329.444 4.254 20 30 EIEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301876596 1055994471 /nfs/dbraw/zinc/99/44/71/1055994471.db2.gz YKADMWMSQLMFPW-ZWKOTPCHSA-N 1 1 329.806 4.208 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301876596 1055994487 /nfs/dbraw/zinc/99/44/87/1055994487.db2.gz YKADMWMSQLMFPW-ZWKOTPCHSA-N 1 1 329.806 4.208 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2cccc(Oc3ccccn3)c2)CC1 ZINC000921703654 1056042896 /nfs/dbraw/zinc/04/28/96/1056042896.db2.gz YUWAQGYGORRILE-UHFFFAOYSA-N 1 1 337.467 4.004 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(F)c1 ZINC000554231560 1056049902 /nfs/dbraw/zinc/04/99/02/1056049902.db2.gz WRSBDYBWTTVVKO-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO Cc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nc1C#N ZINC000302682287 1056063416 /nfs/dbraw/zinc/06/34/16/1056063416.db2.gz XGQMQSCSJHWYIE-MRXNPFEDSA-N 1 1 334.467 4.106 20 30 EIEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)[C@@H](C)c2ccccc2)c(C#N)c1C ZINC000428841267 1056388916 /nfs/dbraw/zinc/38/89/16/1056388916.db2.gz PRRKFKNCGXIQOG-HNNXBMFYSA-N 1 1 339.439 4.178 20 30 EIEDMO CCOc1ccc(CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000073182615 1056541641 /nfs/dbraw/zinc/54/16/41/1056541641.db2.gz BXHNUTYFDWBSPL-HXUWFJFHSA-N 1 1 339.483 4.173 20 30 EIEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741798107 1058379001 /nfs/dbraw/zinc/37/90/01/1058379001.db2.gz QMNMMZXCOCVZBY-CQSZACIVSA-N 1 1 326.827 4.189 20 30 EIEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741798107 1058379021 /nfs/dbraw/zinc/37/90/21/1058379021.db2.gz QMNMMZXCOCVZBY-CQSZACIVSA-N 1 1 326.827 4.189 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000744211501 1059329989 /nfs/dbraw/zinc/32/99/89/1059329989.db2.gz URQATGCHMBKGAB-IBGZPJMESA-N 1 1 349.396 4.470 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)cc1 ZINC000744447514 1059526056 /nfs/dbraw/zinc/52/60/56/1059526056.db2.gz QQEUEZOEUBAOLZ-UHFFFAOYSA-N 1 1 349.352 4.119 20 30 EIEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000829794388 1059749496 /nfs/dbraw/zinc/74/94/96/1059749496.db2.gz XDQLNZSCOXMFTK-ZDUSSCGKSA-N 1 1 339.266 4.057 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1C ZINC001169285772 1060744637 /nfs/dbraw/zinc/74/46/37/1060744637.db2.gz XVFWPEGEAVKZJK-DYVFJYSZSA-N 1 1 333.863 4.051 20 30 EIEDMO Cc1ccc(C[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC001169332917 1060769898 /nfs/dbraw/zinc/76/98/98/1060769898.db2.gz QBOKZCOAKFRCFD-JOCHJYFZSA-N 1 1 332.447 4.337 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cc1C#N ZINC001169332917 1060769922 /nfs/dbraw/zinc/76/99/22/1060769922.db2.gz QBOKZCOAKFRCFD-JOCHJYFZSA-N 1 1 332.447 4.337 20 30 EIEDMO N#CC12CCC(Nc3c[nH+]c4c(Br)cccn34)(CC1)CC2 ZINC001169749833 1060929198 /nfs/dbraw/zinc/92/91/98/1060929198.db2.gz FDUBOWRWKYKAKG-UHFFFAOYSA-N 1 1 345.244 4.125 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CCCC1(C)C ZINC001169845917 1060998308 /nfs/dbraw/zinc/99/83/08/1060998308.db2.gz YJQJCTBSQJOIBP-SFHVURJKSA-N 1 1 337.467 4.416 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766901741 1061062544 /nfs/dbraw/zinc/06/25/44/1061062544.db2.gz RETIPKXUTJHHCU-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766901741 1061062556 /nfs/dbraw/zinc/06/25/56/1061062556.db2.gz RETIPKXUTJHHCU-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000449933461 1032136557 /nfs/dbraw/zinc/13/65/57/1032136557.db2.gz BHAPTQNTQYIRRG-WMZOPIPTSA-N 1 1 346.540 4.384 20 30 EIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCCCC1 ZINC000195673999 1032226732 /nfs/dbraw/zinc/22/67/32/1032226732.db2.gz JHKOXFWSQZBIHC-UHFFFAOYSA-N 1 1 337.467 4.250 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501513 1032277303 /nfs/dbraw/zinc/27/73/03/1032277303.db2.gz CXLZJIOYZNMLGL-UWJYYQICSA-N 1 1 335.451 4.490 20 30 EIEDMO CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000508625988 1032345452 /nfs/dbraw/zinc/34/54/52/1032345452.db2.gz SOEQTFIMRBZQIW-UHFFFAOYSA-N 1 1 348.425 4.500 20 30 EIEDMO C=C(CC)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454520393 1032376502 /nfs/dbraw/zinc/37/65/02/1032376502.db2.gz XCLJNTMHQAEXJY-UHFFFAOYSA-N 1 1 326.444 4.143 20 30 EIEDMO C=C(C)CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454522156 1032376901 /nfs/dbraw/zinc/37/69/01/1032376901.db2.gz YSEIMMMWFUQCKI-UHFFFAOYSA-N 1 1 326.444 4.143 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000532913267 1032385611 /nfs/dbraw/zinc/38/56/11/1032385611.db2.gz JDRQBFNSSMBHGO-QGZVFWFLSA-N 1 1 328.456 4.215 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000532913267 1032385624 /nfs/dbraw/zinc/38/56/24/1032385624.db2.gz JDRQBFNSSMBHGO-QGZVFWFLSA-N 1 1 328.456 4.215 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C)cc1 ZINC000532901817 1032390662 /nfs/dbraw/zinc/39/06/62/1032390662.db2.gz HTDCAJFFMYXGMP-UHFFFAOYSA-N 1 1 335.451 4.108 20 30 EIEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000532927943 1032394699 /nfs/dbraw/zinc/39/46/99/1032394699.db2.gz DRHUCKMMNLTASP-ZDUSSCGKSA-N 1 1 347.528 4.194 20 30 EIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000175016001 1032411139 /nfs/dbraw/zinc/41/11/39/1032411139.db2.gz ZHLQYGGCIHNAOQ-UHFFFAOYSA-N 1 1 343.430 4.045 20 30 EIEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479927 1032522966 /nfs/dbraw/zinc/52/29/66/1032522966.db2.gz RTVJCQDKLXSACN-QUCCMNQESA-N 1 1 340.511 4.150 20 30 EIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450554215 1032556471 /nfs/dbraw/zinc/55/64/71/1032556471.db2.gz DEOOWTFARYIIRK-QGZVFWFLSA-N 1 1 336.483 4.490 20 30 EIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450554215 1032556475 /nfs/dbraw/zinc/55/64/75/1032556475.db2.gz DEOOWTFARYIIRK-QGZVFWFLSA-N 1 1 336.483 4.490 20 30 EIEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000533287318 1032596235 /nfs/dbraw/zinc/59/62/35/1032596235.db2.gz XMEVWWBEXLZGEF-NSHDSACASA-N 1 1 327.255 4.218 20 30 EIEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427856 1032746130 /nfs/dbraw/zinc/74/61/30/1032746130.db2.gz NSKLLILUAIZZTG-CRAIPNDOSA-N 1 1 339.401 4.072 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186882412 1018863853 /nfs/dbraw/zinc/86/38/53/1018863853.db2.gz AIBXFDGXJVYXOA-UHFFFAOYSA-N 1 1 332.806 4.384 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512449362 1032804389 /nfs/dbraw/zinc/80/43/89/1032804389.db2.gz FXQGBYRKMYZDOS-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512449362 1032804391 /nfs/dbraw/zinc/80/43/91/1032804391.db2.gz FXQGBYRKMYZDOS-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC001167094022 1019903374 /nfs/dbraw/zinc/90/33/74/1019903374.db2.gz ARUYJXWRSDEZAC-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000429833550 1032866208 /nfs/dbraw/zinc/86/62/08/1032866208.db2.gz YMJINJPGQKRAOG-UHFFFAOYSA-N 1 1 336.479 4.086 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209432891 1020327991 /nfs/dbraw/zinc/32/79/91/1020327991.db2.gz LZNNTYSJGLMEBX-CQSZACIVSA-N 1 1 343.393 4.085 20 30 EIEDMO C=CCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001209442138 1020350829 /nfs/dbraw/zinc/35/08/29/1020350829.db2.gz UJCFUFAZRRQSNE-HXUWFJFHSA-N 1 1 345.531 4.268 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccc(C#N)cc1 ZINC000275375841 1020572626 /nfs/dbraw/zinc/57/26/26/1020572626.db2.gz WPVSTOYLSVQRDT-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007420336 1020638607 /nfs/dbraw/zinc/63/86/07/1020638607.db2.gz VPDJKGQODVDDLY-MRXNPFEDSA-N 1 1 349.478 4.315 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007420336 1020638617 /nfs/dbraw/zinc/63/86/17/1020638617.db2.gz VPDJKGQODVDDLY-MRXNPFEDSA-N 1 1 349.478 4.315 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612962 1020930158 /nfs/dbraw/zinc/93/01/58/1020930158.db2.gz PFYMDJDHEPAPOG-SFHVURJKSA-N 1 1 334.410 4.202 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c(C#N)c1C ZINC000177242935 1020962159 /nfs/dbraw/zinc/96/21/59/1020962159.db2.gz UGQPEPZNDUZDMJ-KRWDZBQOSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c(C#N)c1C ZINC000177242935 1020962165 /nfs/dbraw/zinc/96/21/65/1020962165.db2.gz UGQPEPZNDUZDMJ-KRWDZBQOSA-N 1 1 339.464 4.012 20 30 EIEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837477 1021129377 /nfs/dbraw/zinc/12/93/77/1021129377.db2.gz QPJFKYLJZSSELL-MSOLQXFVSA-N 1 1 345.895 4.341 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337347 1021255185 /nfs/dbraw/zinc/25/51/85/1021255185.db2.gz NRWHGQKWAVUCOF-QFIPXVFZSA-N 1 1 334.463 4.079 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]21 ZINC000376095927 1021430919 /nfs/dbraw/zinc/43/09/19/1021430919.db2.gz JYOLIHMRLJDRKM-IRXDYDNUSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]21 ZINC000376095930 1021431870 /nfs/dbraw/zinc/43/18/70/1021431870.db2.gz JYOLIHMRLJDRKM-SJORKVTESA-N 1 1 349.519 4.038 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180083084 1021667489 /nfs/dbraw/zinc/66/74/89/1021667489.db2.gz PNTAUIDJEVZKCL-NRFANRHFSA-N 1 1 343.386 4.346 20 30 EIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355939 1021670856 /nfs/dbraw/zinc/67/08/56/1021670856.db2.gz FHFDBTCOBSLRMC-UONOGXRCSA-N 1 1 347.890 4.439 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001167386759 1021927912 /nfs/dbraw/zinc/92/79/12/1021927912.db2.gz IZSGYJZBMREGPB-KRWDZBQOSA-N 1 1 325.427 4.139 20 30 EIEDMO C=CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001167390907 1021957043 /nfs/dbraw/zinc/95/70/43/1021957043.db2.gz BZGZVMYKFFDZCW-GOSISDBHSA-N 1 1 336.520 4.312 20 30 EIEDMO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613428936 1022008364 /nfs/dbraw/zinc/00/83/64/1022008364.db2.gz AUZGFQBSCSLLCB-RDJZCZTQSA-N 1 1 340.515 4.316 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccccc1C#N ZINC000170647095 1022143837 /nfs/dbraw/zinc/14/38/37/1022143837.db2.gz PLQJDJSQADOHAU-UHFFFAOYSA-N 1 1 331.419 4.278 20 30 EIEDMO COc1cccc(OC)c1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000588386674 1022385568 /nfs/dbraw/zinc/38/55/68/1022385568.db2.gz VNVFWOQRTMXGDK-QXMHVHEDSA-N 1 1 348.402 4.094 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1c(C)noc1C ZINC000754546328 1022460023 /nfs/dbraw/zinc/46/00/23/1022460023.db2.gz SHJKEDGEWYAKRO-OAHLLOKOSA-N 1 1 333.819 4.088 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000160622105 1022470453 /nfs/dbraw/zinc/47/04/53/1022470453.db2.gz JQYPPMHAZAZVTM-AWEZNQCLSA-N 1 1 346.377 4.211 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000893195186 1022653735 /nfs/dbraw/zinc/65/37/35/1022653735.db2.gz VEYHHARIHLJJJL-CQSZACIVSA-N 1 1 339.386 4.383 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000084084059 1022659362 /nfs/dbraw/zinc/65/93/62/1022659362.db2.gz VGURGVIEMFQGOL-AWEZNQCLSA-N 1 1 339.464 4.104 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1OC(F)(F)F ZINC000177856699 1022701677 /nfs/dbraw/zinc/70/16/77/1022701677.db2.gz LQMWHIGBGDBVLX-LLVKDONJSA-N 1 1 338.304 4.447 20 30 EIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1Br ZINC001167439514 1022721200 /nfs/dbraw/zinc/72/12/00/1022721200.db2.gz YOZCCVLLWUQCPM-HACGYAERSA-N 1 1 333.273 4.474 20 30 EIEDMO Cc1c2cc(C#N)ccc2nc2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000416394622 1022822830 /nfs/dbraw/zinc/82/28/30/1022822830.db2.gz XFPIBXDWEDZHLP-UHFFFAOYSA-N 1 1 327.431 4.016 20 30 EIEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000156839622 1022855332 /nfs/dbraw/zinc/85/53/32/1022855332.db2.gz RHQQSYSTSBODQX-KRWDZBQOSA-N 1 1 337.467 4.066 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000184094798 1022895122 /nfs/dbraw/zinc/89/51/22/1022895122.db2.gz FWQPIJWKIGHMAF-QGZVFWFLSA-N 1 1 340.471 4.096 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000236686031 1022901746 /nfs/dbraw/zinc/90/17/46/1022901746.db2.gz FEDLRZHTVLJZOW-QHCPKHFHSA-N 1 1 348.490 4.015 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000157807931 1022907777 /nfs/dbraw/zinc/90/77/77/1022907777.db2.gz YLEUISOVNVFVAU-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000157807931 1022907788 /nfs/dbraw/zinc/90/77/88/1022907788.db2.gz YLEUISOVNVFVAU-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595208 1023154896 /nfs/dbraw/zinc/15/48/96/1023154896.db2.gz LJFIHKSTRGFVJR-OAHLLOKOSA-N 1 1 325.843 4.353 20 30 EIEDMO COCc1cccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000255302907 1023197696 /nfs/dbraw/zinc/19/76/96/1023197696.db2.gz UVOHNBKGBOFNTH-WDZFZDKYSA-N 1 1 332.403 4.223 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167461969 1023212875 /nfs/dbraw/zinc/21/28/75/1023212875.db2.gz XBYNRGCBRVMYMJ-AWEZNQCLSA-N 1 1 333.863 4.217 20 30 EIEDMO COc1ccccc1CCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001167464067 1023234281 /nfs/dbraw/zinc/23/42/81/1023234281.db2.gz FKUPGXZBVIUVIN-LEWJYISDSA-N 1 1 334.463 4.400 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001167464459 1023248362 /nfs/dbraw/zinc/24/83/62/1023248362.db2.gz MFKMTNLLPMKPGP-PMXSJFBMSA-N 1 1 326.484 4.353 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001167464459 1023248377 /nfs/dbraw/zinc/24/83/77/1023248377.db2.gz MFKMTNLLPMKPGP-PMXSJFBMSA-N 1 1 326.484 4.353 20 30 EIEDMO C#CC[N@@H+](Cc1cc(F)c(F)cc1OC)[C@@H]1CCc2ccccc21 ZINC001143394960 1023331118 /nfs/dbraw/zinc/33/11/18/1023331118.db2.gz XETGNFGDUXMBPN-LJQANCHMSA-N 1 1 327.374 4.096 20 30 EIEDMO C#CC[N@H+](Cc1cc(F)c(F)cc1OC)[C@@H]1CCc2ccccc21 ZINC001143394960 1023331125 /nfs/dbraw/zinc/33/11/25/1023331125.db2.gz XETGNFGDUXMBPN-LJQANCHMSA-N 1 1 327.374 4.096 20 30 EIEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000362569809 1023470671 /nfs/dbraw/zinc/47/06/71/1023470671.db2.gz PBXUBOQCFYJPAK-NHYWBVRUSA-N 1 1 338.224 4.072 20 30 EIEDMO C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752460 1023495437 /nfs/dbraw/zinc/49/54/37/1023495437.db2.gz YATVRIDYTHBPSG-HTAPYJJXSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752460 1023495443 /nfs/dbraw/zinc/49/54/43/1023495443.db2.gz YATVRIDYTHBPSG-HTAPYJJXSA-N 1 1 333.479 4.119 20 30 EIEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000276438831 1023537372 /nfs/dbraw/zinc/53/73/72/1023537372.db2.gz OIAZDGABZNXPOH-SNVBAGLBSA-N 1 1 334.769 4.194 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1-n1cccn1 ZINC000187427872 1023551472 /nfs/dbraw/zinc/55/14/72/1023551472.db2.gz FIBUMWXIOILDRW-AWEZNQCLSA-N 1 1 336.826 4.248 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(-c2ccncc2)s1 ZINC000349526207 1023776312 /nfs/dbraw/zinc/77/63/12/1023776312.db2.gz YMHXPMPRBIZIKY-UHFFFAOYSA-N 1 1 327.478 4.455 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(-c2ccncc2)s1 ZINC000349526207 1023776319 /nfs/dbraw/zinc/77/63/19/1023776319.db2.gz YMHXPMPRBIZIKY-UHFFFAOYSA-N 1 1 327.478 4.455 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000053722058 1023785573 /nfs/dbraw/zinc/78/55/73/1023785573.db2.gz MUUBBXVYAJGXEC-KRWDZBQOSA-N 1 1 347.462 4.379 20 30 EIEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000341494898 1023810397 /nfs/dbraw/zinc/81/03/97/1023810397.db2.gz YNIBXHPATLEZOC-YTQUADARSA-N 1 1 342.483 4.388 20 30 EIEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000341494886 1023810476 /nfs/dbraw/zinc/81/04/76/1023810476.db2.gz YNIBXHPATLEZOC-QXAKKESOSA-N 1 1 342.483 4.388 20 30 EIEDMO CCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511667436 1023825723 /nfs/dbraw/zinc/82/57/23/1023825723.db2.gz OIUBGCLQOQPLDG-SJLPKXTDSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511667436 1023825724 /nfs/dbraw/zinc/82/57/24/1023825724.db2.gz OIUBGCLQOQPLDG-SJLPKXTDSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511667436 1023825729 /nfs/dbraw/zinc/82/57/29/1023825729.db2.gz OIUBGCLQOQPLDG-SJLPKXTDSA-N 1 1 339.508 4.277 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000126774328 1023857083 /nfs/dbraw/zinc/85/70/83/1023857083.db2.gz FLKNDHWKFZNCEA-UHFFFAOYSA-N 1 1 339.458 4.101 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000178258116 1023875664 /nfs/dbraw/zinc/87/56/64/1023875664.db2.gz MKTCNNCTRUMBGX-MRXNPFEDSA-N 1 1 348.918 4.343 20 30 EIEDMO CC(C)C[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341622738 1023954879 /nfs/dbraw/zinc/95/48/79/1023954879.db2.gz VQRUALPHOKSDCC-UHFFFAOYSA-N 1 1 336.464 4.221 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)CC(C)(C)CCC#N)cn1 ZINC000430767962 1024022272 /nfs/dbraw/zinc/02/22/72/1024022272.db2.gz KEFXQNYPFFXDEO-UHFFFAOYSA-N 1 1 344.890 4.406 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000661378756 1024083256 /nfs/dbraw/zinc/08/32/56/1024083256.db2.gz LRYYELAYWVHQNE-QGZVFWFLSA-N 1 1 335.451 4.026 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(OC)cc1 ZINC000510634831 1024136681 /nfs/dbraw/zinc/13/66/81/1024136681.db2.gz ULBMWEUTIRGHEV-UHFFFAOYSA-N 1 1 339.464 4.335 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913784 1024220174 /nfs/dbraw/zinc/22/01/74/1024220174.db2.gz YDAYJYLCWIPMEG-GCJKJVERSA-N 1 1 334.463 4.343 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCOc1cccc(C#N)c1)CCC2 ZINC000127390062 1024424732 /nfs/dbraw/zinc/42/47/32/1024424732.db2.gz BBYVCORBFDCYAX-GOSISDBHSA-N 1 1 341.480 4.102 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810719 1024493642 /nfs/dbraw/zinc/49/36/42/1024493642.db2.gz KWAGRJQXPBTGID-QSFXBCCZSA-N 1 1 339.508 4.353 20 30 EIEDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810719 1024493659 /nfs/dbraw/zinc/49/36/59/1024493659.db2.gz KWAGRJQXPBTGID-QSFXBCCZSA-N 1 1 339.508 4.353 20 30 EIEDMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n2)ccc1F ZINC000893979421 1033218273 /nfs/dbraw/zinc/21/82/73/1033218273.db2.gz KBZZQOKMYKOZIL-CHWSQXEVSA-N 1 1 330.407 4.163 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000510825534 1024562505 /nfs/dbraw/zinc/56/25/05/1024562505.db2.gz IATPLBLYANNCCY-LISAXSMJSA-N 1 1 334.529 4.066 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000510825534 1024562518 /nfs/dbraw/zinc/56/25/18/1024562518.db2.gz IATPLBLYANNCCY-LISAXSMJSA-N 1 1 334.529 4.066 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC001143519272 1024671562 /nfs/dbraw/zinc/67/15/62/1024671562.db2.gz KNHPFGBLMKCRJE-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO CC[N@@H+](Cc1cc(C)c(OCc2ccccn2)c(C)c1)C[C@@H](C)C#N ZINC000091982656 1024709224 /nfs/dbraw/zinc/70/92/24/1024709224.db2.gz KMRINRIFUXCETP-INIZCTEOSA-N 1 1 337.467 4.259 20 30 EIEDMO CC[N@H+](Cc1cc(C)c(OCc2ccccn2)c(C)c1)C[C@@H](C)C#N ZINC000091982656 1024709246 /nfs/dbraw/zinc/70/92/46/1024709246.db2.gz KMRINRIFUXCETP-INIZCTEOSA-N 1 1 337.467 4.259 20 30 EIEDMO N#CC1(F)CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000510951493 1024862399 /nfs/dbraw/zinc/86/23/99/1024862399.db2.gz NSRMUJFHRCYNTK-UHFFFAOYSA-N 1 1 347.231 4.430 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000548491942 1024887969 /nfs/dbraw/zinc/88/79/69/1024887969.db2.gz GYXFBDFGSZEMAD-INIZCTEOSA-N 1 1 338.785 4.429 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000093872328 1024896184 /nfs/dbraw/zinc/89/61/84/1024896184.db2.gz KQJNHHLXFQERAR-LEWJYISDSA-N 1 1 330.431 4.234 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000093872328 1024896187 /nfs/dbraw/zinc/89/61/87/1024896187.db2.gz KQJNHHLXFQERAR-LEWJYISDSA-N 1 1 330.431 4.234 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000610991606 1025215661 /nfs/dbraw/zinc/21/56/61/1025215661.db2.gz SRIVPMPMUFQHNX-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1ccnc(C#N)c1 ZINC000610991478 1025218775 /nfs/dbraw/zinc/21/87/75/1025218775.db2.gz LOAUNHVDCZGXIJ-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO CC[N@@H+](Cc1cc(F)cc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139873352 1033286397 /nfs/dbraw/zinc/28/63/97/1033286397.db2.gz LJQAVZGIUUHDQW-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO C[C@H](c1c(F)cccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519202249 1025598307 /nfs/dbraw/zinc/59/83/07/1025598307.db2.gz HZCMMOUDUNWDRV-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000123516741 1025740013 /nfs/dbraw/zinc/74/00/13/1025740013.db2.gz MGVGOFCVHMSRFC-MRXNPFEDSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC001167516332 1025892175 /nfs/dbraw/zinc/89/21/75/1025892175.db2.gz DVJKDYJLALPBIL-LJQANCHMSA-N 1 1 328.843 4.076 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540274 1025997555 /nfs/dbraw/zinc/99/75/55/1025997555.db2.gz YDEWVGKERTUBIR-OALUTQOASA-N 1 1 330.447 4.257 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550075180 1026014309 /nfs/dbraw/zinc/01/43/09/1026014309.db2.gz QJCDMOLXTREBKO-OAHLLOKOSA-N 1 1 336.277 4.311 20 30 EIEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1C#N ZINC000511062661 1026047931 /nfs/dbraw/zinc/04/79/31/1026047931.db2.gz FKHSNVBPRLUSLQ-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1C#N ZINC000511062661 1026047948 /nfs/dbraw/zinc/04/79/48/1026047948.db2.gz FKHSNVBPRLUSLQ-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2nc(C(C)C)c(C)s2)cc(OC)c1O ZINC000344185698 1026111278 /nfs/dbraw/zinc/11/12/78/1026111278.db2.gz UFDZHJPEBBHTIZ-UHFFFAOYSA-N 1 1 346.496 4.307 20 30 EIEDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000344217781 1026153292 /nfs/dbraw/zinc/15/32/92/1026153292.db2.gz KURLUDKACJWQHQ-KXBFYZLASA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000344217781 1026153301 /nfs/dbraw/zinc/15/33/01/1026153301.db2.gz KURLUDKACJWQHQ-KXBFYZLASA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1C(C)(C)C#N ZINC000512151616 1026156814 /nfs/dbraw/zinc/15/68/14/1026156814.db2.gz ZURJHRVERXVXLG-UHFFFAOYSA-N 1 1 338.451 4.151 20 30 EIEDMO CC[N@@H+](Cc1cccc(OCCOC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119853478 1026201058 /nfs/dbraw/zinc/20/10/58/1026201058.db2.gz YXYNMDWLGMPQDW-QGZVFWFLSA-N 1 1 338.451 4.167 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CCCN(C(=O)NC(C)C)C2)C1 ZINC001279273486 1026252304 /nfs/dbraw/zinc/25/23/04/1026252304.db2.gz UMQZXCXAEAIBHT-FQEVSTJZSA-N 1 1 335.536 4.029 20 30 EIEDMO C=CCOCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000519563277 1026267732 /nfs/dbraw/zinc/26/77/32/1026267732.db2.gz XDPKBZFLLUUIBJ-INIZCTEOSA-N 1 1 343.389 4.060 20 30 EIEDMO C=CCOCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000519563277 1026267747 /nfs/dbraw/zinc/26/77/47/1026267747.db2.gz XDPKBZFLLUUIBJ-INIZCTEOSA-N 1 1 343.389 4.060 20 30 EIEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000609499593 1026322410 /nfs/dbraw/zinc/32/24/10/1026322410.db2.gz TUYGTRZQQGILOL-UHFFFAOYSA-N 1 1 339.870 4.232 20 30 EIEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512191580 1026334294 /nfs/dbraw/zinc/33/42/94/1026334294.db2.gz NGBWYBMETPPGDC-AWEZNQCLSA-N 1 1 345.512 4.092 20 30 EIEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cn2ccccc12 ZINC000344383767 1026359648 /nfs/dbraw/zinc/35/96/48/1026359648.db2.gz XCNRQUYAUQDPDF-MRXNPFEDSA-N 1 1 349.459 4.110 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cn2ccccc12 ZINC000344383767 1026359661 /nfs/dbraw/zinc/35/96/61/1026359661.db2.gz XCNRQUYAUQDPDF-MRXNPFEDSA-N 1 1 349.459 4.110 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647960395 1026387018 /nfs/dbraw/zinc/38/70/18/1026387018.db2.gz WTWPAZHTZDVFCW-QGZVFWFLSA-N 1 1 346.490 4.098 20 30 EIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCCC1 ZINC000279364494 1026393187 /nfs/dbraw/zinc/39/31/87/1026393187.db2.gz HXKMQKXVCCOQHN-UHFFFAOYSA-N 1 1 337.471 4.013 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569287 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C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000187895768 1030377204 /nfs/dbraw/zinc/37/72/04/1030377204.db2.gz GXTSLOGGNGYBHX-AZUAARDMSA-N 1 1 340.511 4.244 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C2(CCCC2)CN1CCC(C)(C)C#N ZINC000451349939 1030423431 /nfs/dbraw/zinc/42/34/31/1030423431.db2.gz ZXUBHCNGNVOHQF-SFHVURJKSA-N 1 1 344.547 4.185 20 30 EIEDMO C[C@H]1CN(CCC(C)(C)C#N)C2(CCCC2)C[N@@H+]1CCC(C)(C)C#N ZINC000451349939 1030423457 /nfs/dbraw/zinc/42/34/57/1030423457.db2.gz ZXUBHCNGNVOHQF-SFHVURJKSA-N 1 1 344.547 4.185 20 30 EIEDMO C[C@H]1CN(CCC(C)(C)C#N)C2(CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC000451349939 1030423488 /nfs/dbraw/zinc/42/34/88/1030423488.db2.gz ZXUBHCNGNVOHQF-SFHVURJKSA-N 1 1 344.547 4.185 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2ccccc2F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000527074095 1030464555 /nfs/dbraw/zinc/46/45/55/1030464555.db2.gz PJOQAOFLYJLXCB-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000527074095 1030464570 /nfs/dbraw/zinc/46/45/70/1030464570.db2.gz PJOQAOFLYJLXCB-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000530524628 1030500371 /nfs/dbraw/zinc/50/03/71/1030500371.db2.gz XUQCLZPZEZRTIQ-SNVBAGLBSA-N 1 1 338.304 4.289 20 30 EIEDMO C[N@H+](CCCC#N)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063763766 1030570120 /nfs/dbraw/zinc/57/01/20/1030570120.db2.gz MFSIYIGDXTUUHO-UHFFFAOYSA-N 1 1 329.419 4.429 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366538 1030655716 /nfs/dbraw/zinc/65/57/16/1030655716.db2.gz RSXIZFHFAOKDJX-MOPGFXCFSA-N 1 1 348.475 4.410 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366538 1030655739 /nfs/dbraw/zinc/65/57/39/1030655739.db2.gz RSXIZFHFAOKDJX-MOPGFXCFSA-N 1 1 348.475 4.410 20 30 EIEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451810350 1030711338 /nfs/dbraw/zinc/71/13/38/1030711338.db2.gz NQRKKCANPVUVCW-FQEVSTJZSA-N 1 1 334.463 4.208 20 30 EIEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(F)c(Cl)c1 ZINC000451975972 1030814742 /nfs/dbraw/zinc/81/47/42/1030814742.db2.gz LZBULKSMZSNYSG-UHFFFAOYSA-N 1 1 326.843 4.257 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c1C ZINC000051428755 1030856262 /nfs/dbraw/zinc/85/62/62/1030856262.db2.gz SISVDVQEJJLRLJ-IBGZPJMESA-N 1 1 349.478 4.243 20 30 EIEDMO Cc1ccsc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054426940 1030898452 /nfs/dbraw/zinc/89/84/52/1030898452.db2.gz FCMCNMWCDFGMLO-UHFFFAOYSA-N 1 1 347.871 4.042 20 30 EIEDMO CC(C)CCn1cccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000575837962 1031052744 /nfs/dbraw/zinc/05/27/44/1031052744.db2.gz VCMQGWUNTHRMJO-UHFFFAOYSA-N 1 1 339.483 4.054 20 30 EIEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463476 1031080783 /nfs/dbraw/zinc/08/07/83/1031080783.db2.gz NMXVUXJQXBSOCN-IRXDYDNUSA-N 1 1 333.435 4.432 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000610949003 1031097863 /nfs/dbraw/zinc/09/78/63/1031097863.db2.gz AVVCXJAZBPAOJD-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000610949003 1031097885 /nfs/dbraw/zinc/09/78/85/1031097885.db2.gz AVVCXJAZBPAOJD-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327848 1031164742 /nfs/dbraw/zinc/16/47/42/1031164742.db2.gz ODJLRJGJPLFYOK-INIZCTEOSA-N 1 1 329.400 4.303 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000123287828 1031414817 /nfs/dbraw/zinc/41/48/17/1031414817.db2.gz QDKWINVSDXSGAW-UHFFFAOYSA-N 1 1 333.907 4.178 20 30 EIEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472441483 1031657198 /nfs/dbraw/zinc/65/71/98/1031657198.db2.gz YATGGJRRKJELMD-QUCCMNQESA-N 1 1 327.516 4.474 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000236690637 1031661709 /nfs/dbraw/zinc/66/17/09/1031661709.db2.gz YPOHPXAKKLAMFE-UHFFFAOYSA-N 1 1 328.500 4.138 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000612587905 1031683305 /nfs/dbraw/zinc/68/33/05/1031683305.db2.gz BGBATZHIUBWPJT-UHFFFAOYSA-N 1 1 344.462 4.238 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000245457447 1033359646 /nfs/dbraw/zinc/35/96/46/1033359646.db2.gz UIAUHEWWZCZREW-OWCLPIDISA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000245457447 1033359661 /nfs/dbraw/zinc/35/96/61/1033359661.db2.gz UIAUHEWWZCZREW-OWCLPIDISA-N 1 1 345.512 4.140 20 30 EIEDMO CCC[N@H+](C)[C@@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560319 1033379628 /nfs/dbraw/zinc/37/96/28/1033379628.db2.gz CVUYCKYEPSGYBL-SFHVURJKSA-N 1 1 347.915 4.446 20 30 EIEDMO CCC[N@@H+](C)[C@@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560319 1033379634 /nfs/dbraw/zinc/37/96/34/1033379634.db2.gz CVUYCKYEPSGYBL-SFHVURJKSA-N 1 1 347.915 4.446 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512628852 1033562352 /nfs/dbraw/zinc/56/23/52/1033562352.db2.gz GJOXIDOHNGLPBM-CYBMUJFWSA-N 1 1 346.327 4.418 20 30 EIEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614176686 1033599455 /nfs/dbraw/zinc/59/94/55/1033599455.db2.gz ORLGYSSXZVMQNU-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000614176686 1033599472 /nfs/dbraw/zinc/59/94/72/1033599472.db2.gz ORLGYSSXZVMQNU-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000614176686 1033599493 /nfs/dbraw/zinc/59/94/93/1033599493.db2.gz ORLGYSSXZVMQNU-QFIPXVFZSA-N 1 1 347.506 4.194 20 30 EIEDMO C[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649504 1033604481 /nfs/dbraw/zinc/60/44/81/1033604481.db2.gz SGFNFMLVBGUXFL-VQIMIIECSA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649504 1033604488 /nfs/dbraw/zinc/60/44/88/1033604488.db2.gz SGFNFMLVBGUXFL-VQIMIIECSA-N 1 1 337.442 4.013 20 30 EIEDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1F ZINC000512655337 1033628766 /nfs/dbraw/zinc/62/87/66/1033628766.db2.gz TUPDJGPMPUUTMB-MRXNPFEDSA-N 1 1 339.458 4.390 20 30 EIEDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614185797 1033643245 /nfs/dbraw/zinc/64/32/45/1033643245.db2.gz JQFJYFWRIAYDBR-UHFFFAOYSA-N 1 1 330.472 4.041 20 30 EIEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614185797 1033643255 /nfs/dbraw/zinc/64/32/55/1033643255.db2.gz JQFJYFWRIAYDBR-UHFFFAOYSA-N 1 1 330.472 4.041 20 30 EIEDMO C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667024 1033667158 /nfs/dbraw/zinc/66/71/58/1033667158.db2.gz NPHKPTKPOGHIPH-IRXDYDNUSA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(C#N)cc1F ZINC000512671020 1033677863 /nfs/dbraw/zinc/67/78/63/1033677863.db2.gz CZTFALGKOMESMC-AWEZNQCLSA-N 1 1 339.414 4.265 20 30 EIEDMO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672788 1033682957 /nfs/dbraw/zinc/68/29/57/1033682957.db2.gz MLSJGNIIHDBQFR-AUUYWEPGSA-N 1 1 345.487 4.493 20 30 EIEDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](C)C#N ZINC000509782551 1033876796 /nfs/dbraw/zinc/87/67/96/1033876796.db2.gz MUERFFXMFLATRE-CYBMUJFWSA-N 1 1 329.425 4.305 20 30 EIEDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](C)C#N ZINC000509782551 1033876798 /nfs/dbraw/zinc/87/67/98/1033876798.db2.gz MUERFFXMFLATRE-CYBMUJFWSA-N 1 1 329.425 4.305 20 30 EIEDMO N#CC1(CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000411716916 1034050410 /nfs/dbraw/zinc/05/04/10/1034050410.db2.gz HPRDXJXEAOIWQW-HKBOAZHASA-N 1 1 338.495 4.355 20 30 EIEDMO Cc1cc(C(F)(F)F)cc(N2CCC3(CC2)C(F)(F)C3(F)F)[nH+]1 ZINC000664063576 1034143968 /nfs/dbraw/zinc/14/39/68/1034143968.db2.gz UPBLMUZUQKTTHP-UHFFFAOYSA-N 1 1 342.258 4.280 20 30 EIEDMO C[N@@H+](CCOCCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929501 1034782805 /nfs/dbraw/zinc/78/28/05/1034782805.db2.gz CYKPCBZUERPKDM-DLBZAZTESA-N 1 1 340.389 4.204 20 30 EIEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000509921492 1034850479 /nfs/dbraw/zinc/85/04/79/1034850479.db2.gz ALRJGVOMSVNVOD-UHFFFAOYSA-N 1 1 342.405 4.109 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000513384986 1034912973 /nfs/dbraw/zinc/91/29/73/1034912973.db2.gz RZMSLTZDSVXBBN-LJQANCHMSA-N 1 1 333.435 4.048 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000434033848 1035071811 /nfs/dbraw/zinc/07/18/11/1035071811.db2.gz YNCKQMFGZHSWGG-LJQANCHMSA-N 1 1 341.499 4.073 20 30 EIEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090541 1035370608 /nfs/dbraw/zinc/37/06/08/1035370608.db2.gz SNNPVHWIDOMLJM-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090541 1035370611 /nfs/dbraw/zinc/37/06/11/1035370611.db2.gz SNNPVHWIDOMLJM-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000501256753 1035406648 /nfs/dbraw/zinc/40/66/48/1035406648.db2.gz LFGSMPAOGCIHPY-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000501256753 1035406656 /nfs/dbraw/zinc/40/66/56/1035406656.db2.gz LFGSMPAOGCIHPY-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO C[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980937 1035514845 /nfs/dbraw/zinc/51/48/45/1035514845.db2.gz DLHUPDWPKPUONU-ICSRJNTNSA-N 1 1 325.500 4.103 20 30 EIEDMO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000595072850 1035554940 /nfs/dbraw/zinc/55/49/40/1035554940.db2.gz JYXFGHAMKZWDDK-ZBEGNZNMSA-N 1 1 344.352 4.238 20 30 EIEDMO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000595426609 1035675406 /nfs/dbraw/zinc/67/54/06/1035675406.db2.gz QGKZBUGMDMJJLT-GJZGRUSLSA-N 1 1 345.450 4.318 20 30 EIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C#N)c3ccccc3)C2)s1 ZINC000595477702 1035685923 /nfs/dbraw/zinc/68/59/23/1035685923.db2.gz SWKZSTLBJUWHFH-XLIONFOSSA-N 1 1 339.508 4.075 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000046934539 1035729781 /nfs/dbraw/zinc/72/97/81/1035729781.db2.gz DZBYWFBMXYLBIS-INIZCTEOSA-N 1 1 333.435 4.042 20 30 EIEDMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617435 1035737885 /nfs/dbraw/zinc/73/78/85/1035737885.db2.gz ZTPAOEDRJCXUPE-QWHCGFSZSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617435 1035737905 /nfs/dbraw/zinc/73/79/05/1035737905.db2.gz ZTPAOEDRJCXUPE-QWHCGFSZSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611076 1035749845 /nfs/dbraw/zinc/74/98/45/1035749845.db2.gz GQNHIRDHCDNMNS-CHWSQXEVSA-N 1 1 330.819 4.077 20 30 EIEDMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611076 1035749869 /nfs/dbraw/zinc/74/98/69/1035749869.db2.gz GQNHIRDHCDNMNS-CHWSQXEVSA-N 1 1 330.819 4.077 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595610710 1035751605 /nfs/dbraw/zinc/75/16/05/1035751605.db2.gz AGSFRPOMXYVRPE-KRWDZBQOSA-N 1 1 330.435 4.127 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](C4CCCCC4)C3)o2)c1 ZINC000595738928 1035777666 /nfs/dbraw/zinc/77/76/66/1035777666.db2.gz OLBDPIOGIQYRKP-SFHVURJKSA-N 1 1 336.439 4.010 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1F ZINC000595750401 1035783974 /nfs/dbraw/zinc/78/39/74/1035783974.db2.gz BFXAFQGBPHFXQX-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1F ZINC000595750401 1035783991 /nfs/dbraw/zinc/78/39/91/1035783991.db2.gz BFXAFQGBPHFXQX-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849722 1035795631 /nfs/dbraw/zinc/79/56/31/1035795631.db2.gz DFIVNMBFPSIHNC-QGZVFWFLSA-N 1 1 341.480 4.420 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595840234 1035800049 /nfs/dbraw/zinc/80/00/49/1035800049.db2.gz POPIMHWKDNFAFO-INIZCTEOSA-N 1 1 326.362 4.100 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595869058 1035804438 /nfs/dbraw/zinc/80/44/38/1035804438.db2.gz UBTXJBUKPGNDHY-CQSZACIVSA-N 1 1 347.384 4.425 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094386 1035820493 /nfs/dbraw/zinc/82/04/93/1035820493.db2.gz LVBOIWBBOGGPHD-SIKLNZKXSA-N 1 1 337.511 4.037 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094386 1035820506 /nfs/dbraw/zinc/82/05/06/1035820506.db2.gz LVBOIWBBOGGPHD-SIKLNZKXSA-N 1 1 337.511 4.037 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000513730301 1035835619 /nfs/dbraw/zinc/83/56/19/1035835619.db2.gz XTYHVTRVBSJZMM-UHFFFAOYSA-N 1 1 330.863 4.492 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000513730301 1035835622 /nfs/dbraw/zinc/83/56/22/1035835622.db2.gz XTYHVTRVBSJZMM-UHFFFAOYSA-N 1 1 330.863 4.492 20 30 EIEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000078336408 1035836122 /nfs/dbraw/zinc/83/61/22/1035836122.db2.gz FCQXSVUAFIWLAR-UHFFFAOYSA-N 1 1 339.830 4.157 20 30 EIEDMO C=CCSc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000485455755 1035885211 /nfs/dbraw/zinc/88/52/11/1035885211.db2.gz PAHWZLYNAQDVFH-QGZVFWFLSA-N 1 1 346.540 4.207 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000414483045 1035899000 /nfs/dbraw/zinc/89/90/00/1035899000.db2.gz YSOCGMOPIXYCBG-UHFFFAOYSA-N 1 1 330.497 4.231 20 30 EIEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000421023031 1036000083 /nfs/dbraw/zinc/00/00/83/1036000083.db2.gz QRNNHUNFIIGQMH-LJQANCHMSA-N 1 1 326.484 4.355 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000571254121 1036012051 /nfs/dbraw/zinc/01/20/51/1036012051.db2.gz XSZQTCQVVFMHQO-HXUWFJFHSA-N 1 1 333.435 4.114 20 30 EIEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)c1cccs1 ZINC000156558889 1036037771 /nfs/dbraw/zinc/03/77/71/1036037771.db2.gz FSATWHNUMKJGQU-MSOLQXFVSA-N 1 1 345.895 4.341 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000597013065 1036070631 /nfs/dbraw/zinc/07/06/31/1036070631.db2.gz BBKNHJNQQHCXCN-UWJYYQICSA-N 1 1 332.447 4.204 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000597013065 1036070642 /nfs/dbraw/zinc/07/06/42/1036070642.db2.gz BBKNHJNQQHCXCN-UWJYYQICSA-N 1 1 332.447 4.204 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000597021728 1036074690 /nfs/dbraw/zinc/07/46/90/1036074690.db2.gz RHOYVYPSPUAZLH-KXBFYZLASA-N 1 1 338.476 4.265 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000597021728 1036074705 /nfs/dbraw/zinc/07/47/05/1036074705.db2.gz RHOYVYPSPUAZLH-KXBFYZLASA-N 1 1 338.476 4.265 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597175419 1036140185 /nfs/dbraw/zinc/14/01/85/1036140185.db2.gz ZBZJKJNNAIJIQI-CQSZACIVSA-N 1 1 341.436 4.449 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000597175716 1036142855 /nfs/dbraw/zinc/14/28/55/1036142855.db2.gz DFQDOFLEAXULHK-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000597175716 1036142875 /nfs/dbraw/zinc/14/28/75/1036142875.db2.gz DFQDOFLEAXULHK-ZDUSSCGKSA-N 1 1 344.256 4.123 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000597187196 1036153391 /nfs/dbraw/zinc/15/33/91/1036153391.db2.gz LZCBIHCAQKXFGX-KRWDZBQOSA-N 1 1 328.456 4.166 20 30 EIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](CCF)C2)c(-c2ccccc2)n1 ZINC000597212802 1036156193 /nfs/dbraw/zinc/15/61/93/1036156193.db2.gz ZQVYLGVDMKKLIL-KRWDZBQOSA-N 1 1 340.446 4.035 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000060495672 1036159263 /nfs/dbraw/zinc/15/92/63/1036159263.db2.gz RLBNFPLNHITTEV-UHFFFAOYSA-N 1 1 333.501 4.241 20 30 EIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000138814113 1036170672 /nfs/dbraw/zinc/17/06/72/1036170672.db2.gz YYEGWRCOHDCOIT-KRWDZBQOSA-N 1 1 349.478 4.003 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502452957 1036221501 /nfs/dbraw/zinc/22/15/01/1036221501.db2.gz BHOFDXCWNAAYPD-IRXDYDNUSA-N 1 1 340.442 4.080 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502452957 1036221519 /nfs/dbraw/zinc/22/15/19/1036221519.db2.gz BHOFDXCWNAAYPD-IRXDYDNUSA-N 1 1 340.442 4.080 20 30 EIEDMO N#CCCCCCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601725620 1036228156 /nfs/dbraw/zinc/22/81/56/1036228156.db2.gz AUUXLMBRNUOTJC-HXUWFJFHSA-N 1 1 341.499 4.021 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000502528087 1036293146 /nfs/dbraw/zinc/29/31/46/1036293146.db2.gz IWAXAFMXUAIHJW-UHFFFAOYSA-N 1 1 333.366 4.128 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000502528087 1036293173 /nfs/dbraw/zinc/29/31/73/1036293173.db2.gz IWAXAFMXUAIHJW-UHFFFAOYSA-N 1 1 333.366 4.128 20 30 EIEDMO CCN(C(=O)CCCCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000588648166 1036389415 /nfs/dbraw/zinc/38/94/15/1036389415.db2.gz CJQGHXHOCHDZNX-AZUAARDMSA-N 1 1 341.499 4.144 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000602450616 1036449045 /nfs/dbraw/zinc/44/90/45/1036449045.db2.gz CJRVVXRRXUXBAO-HNNXBMFYSA-N 1 1 328.435 4.020 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000602457312 1036453636 /nfs/dbraw/zinc/45/36/36/1036453636.db2.gz FSHXVOLDDFBYDI-OAHLLOKOSA-N 1 1 329.419 4.285 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000602479133 1036462442 /nfs/dbraw/zinc/46/24/42/1036462442.db2.gz FTYKHIWRKGMZGY-LLVKDONJSA-N 1 1 327.291 4.415 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600572 1036506544 /nfs/dbraw/zinc/50/65/44/1036506544.db2.gz OSSBYZZSRRGUNC-BBRMVZONSA-N 1 1 326.362 4.019 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000602733981 1036599202 /nfs/dbraw/zinc/59/92/02/1036599202.db2.gz ZRCPSLMTVQHDPF-SFTDATJTSA-N 1 1 334.463 4.186 20 30 EIEDMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909774 1036663823 /nfs/dbraw/zinc/66/38/23/1036663823.db2.gz OENLAYPTGRAUFD-ZDUSSCGKSA-N 1 1 327.378 4.172 20 30 EIEDMO Cc1n[nH]cc1C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000602938935 1036676611 /nfs/dbraw/zinc/67/66/11/1036676611.db2.gz ADBHEZANUIVBBH-UHFFFAOYSA-N 1 1 344.462 4.050 20 30 EIEDMO COc1ccc(CC[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)cc1 ZINC000513755903 1036696746 /nfs/dbraw/zinc/69/67/46/1036696746.db2.gz UWKSSANIFGMTAS-UHFFFAOYSA-N 1 1 346.430 4.405 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000598592154 1036707761 /nfs/dbraw/zinc/70/77/61/1036707761.db2.gz GLIHSQYFVJACIA-SFHVURJKSA-N 1 1 344.499 4.153 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000598596622 1036712083 /nfs/dbraw/zinc/71/20/83/1036712083.db2.gz MKCUIEDUQGECJG-IFMALSPDSA-N 1 1 348.490 4.129 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000598622858 1036717737 /nfs/dbraw/zinc/71/77/37/1036717737.db2.gz SKDTYYHRKBQYEE-MOPGFXCFSA-N 1 1 326.484 4.295 20 30 EIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502823302 1036719172 /nfs/dbraw/zinc/71/91/72/1036719172.db2.gz GIINTTVIELBOLR-UHFFFAOYSA-N 1 1 346.415 4.290 20 30 EIEDMO Cc1[nH+]c(NCc2c(F)cc(C#N)cc2F)ccc1-c1ccccc1 ZINC000589324961 1036734154 /nfs/dbraw/zinc/73/41/54/1036734154.db2.gz BAPDMMYFSGMZDT-UHFFFAOYSA-N 1 1 335.357 4.241 20 30 EIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000589338798 1036738967 /nfs/dbraw/zinc/73/89/67/1036738967.db2.gz FWUNGOKOQJCNBP-DHIUTWEWSA-N 1 1 345.490 4.362 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1Cl ZINC000907966594 1036771814 /nfs/dbraw/zinc/77/18/14/1036771814.db2.gz FFRYCJJQEYOTQH-XBMPDCEQSA-N 1 1 345.874 4.060 20 30 EIEDMO CC(C)c1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c2ccccn21 ZINC000593622505 1036787412 /nfs/dbraw/zinc/78/74/12/1036787412.db2.gz YGPSJGWTBUYFAW-SFHVURJKSA-N 1 1 330.435 4.106 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(C(F)(F)F)c1 ZINC000589510885 1036813650 /nfs/dbraw/zinc/81/36/50/1036813650.db2.gz SQVWWFBZIZSDHK-MRXNPFEDSA-N 1 1 345.368 4.037 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc2ccccc2n1C(F)F ZINC000603423085 1036829355 /nfs/dbraw/zinc/82/93/55/1036829355.db2.gz KZVCWGZCIGGOOE-SNVBAGLBSA-N 1 1 332.379 4.215 20 30 EIEDMO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1Cl ZINC000421867895 1036837713 /nfs/dbraw/zinc/83/77/13/1036837713.db2.gz CMKIRJYHRFPYDA-SNVBAGLBSA-N 1 1 336.844 4.141 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1 ZINC000761311858 1036838868 /nfs/dbraw/zinc/83/88/68/1036838868.db2.gz UHHQUECBCCPKAZ-QGZVFWFLSA-N 1 1 332.216 4.442 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486795438 1036858139 /nfs/dbraw/zinc/85/81/39/1036858139.db2.gz COQLFUCTGUVCQT-FQEVSTJZSA-N 1 1 336.435 4.221 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503046501 1036885133 /nfs/dbraw/zinc/88/51/33/1036885133.db2.gz ZZVPPLQUHFCGPR-HNNXBMFYSA-N 1 1 341.480 4.249 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371192 1036969676 /nfs/dbraw/zinc/96/96/76/1036969676.db2.gz NESUJCYXJNVACO-SFTDATJTSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1C#N ZINC000599388227 1036990521 /nfs/dbraw/zinc/99/05/21/1036990521.db2.gz DTXAUWOWTKKQAE-UHFFFAOYSA-N 1 1 338.426 4.187 20 30 EIEDMO Cc1csc(C2([NH2+][C@H](C)c3ccc(OCC#N)cc3)CCC2)n1 ZINC000271929397 1037055905 /nfs/dbraw/zinc/05/59/05/1037055905.db2.gz CZXNLQWRSMUPFT-CQSZACIVSA-N 1 1 327.453 4.084 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585080 1037086921 /nfs/dbraw/zinc/08/69/21/1037086921.db2.gz WXETWNZHQUUNMI-BBRMVZONSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585080 1037086937 /nfs/dbraw/zinc/08/69/37/1037086937.db2.gz WXETWNZHQUUNMI-BBRMVZONSA-N 1 1 348.874 4.011 20 30 EIEDMO C[NH+](C)C[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628365 1037100980 /nfs/dbraw/zinc/10/09/80/1037100980.db2.gz RWTYXNPLSCOHEW-OAHLLOKOSA-N 1 1 328.287 4.126 20 30 EIEDMO C[C@H](CC[N@H+]1CCc2c(CC#N)cccc2C1)OCc1ccccc1 ZINC000599678501 1037131032 /nfs/dbraw/zinc/13/10/32/1037131032.db2.gz RXHZQPLPPKDUOF-GOSISDBHSA-N 1 1 334.463 4.106 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000590750791 1037154054 /nfs/dbraw/zinc/15/40/54/1037154054.db2.gz ZIXULNSQSASVHT-AQNXPRMDSA-N 1 1 326.484 4.003 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000590750794 1037154274 /nfs/dbraw/zinc/15/42/74/1037154274.db2.gz ZIXULNSQSASVHT-ZCNNSNEGSA-N 1 1 326.484 4.003 20 30 EIEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000604483150 1037396726 /nfs/dbraw/zinc/39/67/26/1037396726.db2.gz AQFYBYFNDDREOV-INIZCTEOSA-N 1 1 349.453 4.113 20 30 EIEDMO CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000061759852 1037526218 /nfs/dbraw/zinc/52/62/18/1037526218.db2.gz IHURGQGQLHZEJK-IBGZPJMESA-N 1 1 349.478 4.234 20 30 EIEDMO C=CCC(C)(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000488325772 1037528243 /nfs/dbraw/zinc/52/82/43/1037528243.db2.gz PMRWCSOCHKWUFV-MJGOQNOKSA-N 1 1 328.500 4.006 20 30 EIEDMO N#Cc1cnccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000592097149 1037736690 /nfs/dbraw/zinc/73/66/90/1037736690.db2.gz DSKMJIWNDABTFY-UHFFFAOYSA-N 1 1 331.341 4.141 20 30 EIEDMO C=C1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001127209094 1037883909 /nfs/dbraw/zinc/88/39/09/1037883909.db2.gz RXTDUIJVPUDSRG-ICSRJNTNSA-N 1 1 340.511 4.150 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011875 1037892222 /nfs/dbraw/zinc/89/22/22/1037892222.db2.gz MVMBKQYUHLDXNK-OAHLLOKOSA-N 1 1 341.798 4.109 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c(F)c1 ZINC000574217432 1037953852 /nfs/dbraw/zinc/95/38/52/1037953852.db2.gz IHIVGSAJFGMASB-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235045 1038054229 /nfs/dbraw/zinc/05/42/29/1038054229.db2.gz GDYFYTSPIWKXGJ-VLIAUNLRSA-N 1 1 325.431 4.171 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000489492872 1038083124 /nfs/dbraw/zinc/08/31/24/1038083124.db2.gz FAYMIIUUMSAYDU-AWEZNQCLSA-N 1 1 348.244 4.040 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000489492872 1038083149 /nfs/dbraw/zinc/08/31/49/1038083149.db2.gz FAYMIIUUMSAYDU-AWEZNQCLSA-N 1 1 348.244 4.040 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000489622922 1038149065 /nfs/dbraw/zinc/14/90/65/1038149065.db2.gz PLAKOTQRIJYFMC-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019016 1038212605 /nfs/dbraw/zinc/21/26/05/1038212605.db2.gz CPUPXLNDYIPPCU-UHFFFAOYSA-N 1 1 346.409 4.020 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594019661 1038235151 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EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000490069198 1038332703 /nfs/dbraw/zinc/33/27/03/1038332703.db2.gz BKLXHJQVRPCUFE-GOSISDBHSA-N 1 1 332.806 4.170 20 30 EIEDMO CCN(Cc1ccccc1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000063510807 1038410030 /nfs/dbraw/zinc/41/00/30/1038410030.db2.gz ZJNSXWNZUYZQQN-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)s2)CC2CC2)c(OC)c1 ZINC000504582150 1038430597 /nfs/dbraw/zinc/43/05/97/1038430597.db2.gz JFTKKFBQKAETOT-UHFFFAOYSA-N 1 1 342.464 4.049 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)nn1 ZINC000424294155 1038771441 /nfs/dbraw/zinc/77/14/41/1038771441.db2.gz JXLBVYNSHXDZQU-LJQANCHMSA-N 1 1 326.488 4.249 20 30 EIEDMO Cc1ccccc1-c1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000063750988 1038815515 /nfs/dbraw/zinc/81/55/15/1038815515.db2.gz RQJFWTINBDEYGI-UHFFFAOYSA-N 1 1 346.434 4.327 20 30 EIEDMO Cc1ccccc1-c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000063750988 1038815519 /nfs/dbraw/zinc/81/55/19/1038815519.db2.gz RQJFWTINBDEYGI-UHFFFAOYSA-N 1 1 346.434 4.327 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000505056425 1038925454 /nfs/dbraw/zinc/92/54/54/1038925454.db2.gz BHFJSIWHIVNJKE-RTWAWAEBSA-N 1 1 349.478 4.372 20 30 EIEDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609040638 1039003283 /nfs/dbraw/zinc/00/32/83/1039003283.db2.gz WSVRWPWZPFBJQL-CQSZACIVSA-N 1 1 345.512 4.092 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000424767432 1039076287 /nfs/dbraw/zinc/07/62/87/1039076287.db2.gz LBJLHDCVQUEZSC-PKOBYXMFSA-N 1 1 328.500 4.006 20 30 EIEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000481267713 1039197090 /nfs/dbraw/zinc/19/70/90/1039197090.db2.gz HPUCGMINRBXKJP-UHFFFAOYSA-N 1 1 336.435 4.154 20 30 EIEDMO CC(C)[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000534336884 1039348797 /nfs/dbraw/zinc/34/87/97/1039348797.db2.gz WZUFBXQWKAVFOZ-UHFFFAOYSA-N 1 1 344.462 4.214 20 30 EIEDMO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000552300528 1039370573 /nfs/dbraw/zinc/37/05/73/1039370573.db2.gz NERCYECSSVONSF-CTNGQTDRSA-N 1 1 336.483 4.182 20 30 EIEDMO CCCn1nc(C)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000552300528 1039370589 /nfs/dbraw/zinc/37/05/89/1039370589.db2.gz NERCYECSSVONSF-CTNGQTDRSA-N 1 1 336.483 4.182 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc(C#N)c1 ZINC000092504288 1039558893 /nfs/dbraw/zinc/55/88/93/1039558893.db2.gz RBHWOLJICQJMLI-UHFFFAOYSA-N 1 1 332.407 4.038 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000092504328 1039560284 /nfs/dbraw/zinc/56/02/84/1039560284.db2.gz HXZNXRGXSSZUFQ-UHFFFAOYSA-N 1 1 328.419 4.137 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593866 1039570101 /nfs/dbraw/zinc/57/01/01/1039570101.db2.gz SEQXRFPBCWMGIO-GOSISDBHSA-N 1 1 342.464 4.004 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593866 1039570121 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C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OCCC)CC2)cc1OC ZINC000093317265 1039661233 /nfs/dbraw/zinc/66/12/33/1039661233.db2.gz JQYYSLYNKMAVGD-GOSISDBHSA-N 1 1 333.472 4.041 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093453490 1039701641 /nfs/dbraw/zinc/70/16/41/1039701641.db2.gz OIXICMBFIUNMHP-OAQYLSRUSA-N 1 1 334.467 4.077 20 30 EIEDMO N#CCC1(C[NH2+][C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000429786344 1039731991 /nfs/dbraw/zinc/73/19/91/1039731991.db2.gz NBHRFPHMZOVGLG-HXUWFJFHSA-N 1 1 343.430 4.375 20 30 EIEDMO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736083 1039757647 /nfs/dbraw/zinc/75/76/47/1039757647.db2.gz UYLRCJRNQJXHFI-NQIIRXRSSA-N 1 1 346.474 4.358 20 30 EIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868663 1039764030 /nfs/dbraw/zinc/76/40/30/1039764030.db2.gz XGYYJERXAJXSAV-PKOBYXMFSA-N 1 1 332.513 4.475 20 30 EIEDMO CCC1CCC([N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)CC1 ZINC000434659280 1039788310 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C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000425364636 1040333901 /nfs/dbraw/zinc/33/39/01/1040333901.db2.gz GTXLDYISOBIMPG-GUYCJALGSA-N 1 1 327.453 4.059 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000425364636 1040333927 /nfs/dbraw/zinc/33/39/27/1040333927.db2.gz GTXLDYISOBIMPG-GUYCJALGSA-N 1 1 327.453 4.059 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000160342791 1040466180 /nfs/dbraw/zinc/46/61/80/1040466180.db2.gz UBDBJXXUSZLYML-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Oc2ccccc2)nn1 ZINC000491259950 1040488599 /nfs/dbraw/zinc/48/85/99/1040488599.db2.gz MZUMKSLVRAUNHA-UHFFFAOYSA-N 1 1 335.407 4.093 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000122263316 1040525595 /nfs/dbraw/zinc/52/55/95/1040525595.db2.gz NPLAFKMGVIEXBZ-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000122263316 1040525608 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EIEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000425529720 1041184509 /nfs/dbraw/zinc/18/45/09/1041184509.db2.gz CPECPXGAZAPXSR-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](CC)CN1CCC(C)(C)C#N ZINC000538468099 1041370234 /nfs/dbraw/zinc/37/02/34/1041370234.db2.gz SRYABQCJFHZVEX-QZTJIDSGSA-N 1 1 332.536 4.041 20 30 EIEDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCC(C)(C)C#N)C(C)(C)C ZINC000538466032 1041371280 /nfs/dbraw/zinc/37/12/80/1041371280.db2.gz BBKOEEWJAAOBBD-UHFFFAOYSA-N 1 1 348.487 4.253 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538794851 1041538337 /nfs/dbraw/zinc/53/83/37/1041538337.db2.gz WRAVZKRPYYTXFW-DLBZAZTESA-N 1 1 335.875 4.153 20 30 EIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(C)cc2)cc1 ZINC000540591503 1041547926 /nfs/dbraw/zinc/54/79/26/1041547926.db2.gz JNSYZDAIIJHHBO-NRFANRHFSA-N 1 1 332.403 4.348 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C(C)C)cc1OCC ZINC000505906881 1041572834 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C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000541349657 1041899211 /nfs/dbraw/zinc/89/92/11/1041899211.db2.gz OMDUZQCVOLXMIQ-UHFFFAOYSA-N 1 1 334.341 4.283 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000541779451 1042102588 /nfs/dbraw/zinc/10/25/88/1042102588.db2.gz XUFWZFMSTQJFPM-OAQYLSRUSA-N 1 1 342.483 4.150 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000541779451 1042102591 /nfs/dbraw/zinc/10/25/91/1042102591.db2.gz XUFWZFMSTQJFPM-OAQYLSRUSA-N 1 1 342.483 4.150 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OCC(C)C ZINC000506234964 1042188307 /nfs/dbraw/zinc/18/83/07/1042188307.db2.gz SUXKMXGHGJBQOU-UHFFFAOYSA-N 1 1 338.451 4.234 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464860513 1042205141 /nfs/dbraw/zinc/20/51/41/1042205141.db2.gz RMHRBODBPASWRS-IRLDBZIGSA-N 1 1 332.447 4.226 20 30 EIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000383067512 1042214725 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CCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270600 1042499748 /nfs/dbraw/zinc/49/97/48/1042499748.db2.gz NOLXJZJQILDXAV-AWEZNQCLSA-N 1 1 344.503 4.151 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1 ZINC000506524217 1042557070 /nfs/dbraw/zinc/55/70/70/1042557070.db2.gz IGOKWNPSPHYFDT-HXUWFJFHSA-N 1 1 341.499 4.121 20 30 EIEDMO CC(C)COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000271966275 1042591167 /nfs/dbraw/zinc/59/11/67/1042591167.db2.gz SNGUXMVLGHMFAT-KSSFIOAISA-N 1 1 330.403 4.355 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000174858989 1042716318 /nfs/dbraw/zinc/71/63/18/1042716318.db2.gz MWMQOYNTUXEVBZ-UHFFFAOYSA-N 1 1 335.879 4.320 20 30 EIEDMO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000444000319 1042745584 /nfs/dbraw/zinc/74/55/84/1042745584.db2.gz VOKFTNIKLOENBN-NOTZXAQLSA-N 1 1 345.490 4.152 20 30 EIEDMO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000444000319 1042745591 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N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183968967 1043072095 /nfs/dbraw/zinc/07/20/95/1043072095.db2.gz PCMVSEKMVGXSIX-LJQANCHMSA-N 1 1 341.405 4.007 20 30 EIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1C ZINC000520786426 1043204488 /nfs/dbraw/zinc/20/44/88/1043204488.db2.gz LJVDUUISQIHBJZ-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001143172853 1043242307 /nfs/dbraw/zinc/24/23/07/1043242307.db2.gz DKMNRNRVBQZSHH-CYBMUJFWSA-N 1 1 332.781 4.479 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001143172853 1043242315 /nfs/dbraw/zinc/24/23/15/1043242315.db2.gz DKMNRNRVBQZSHH-CYBMUJFWSA-N 1 1 332.781 4.479 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000059384460 1043329268 /nfs/dbraw/zinc/32/92/68/1043329268.db2.gz QSQFQZDQDHCKPI-UHFFFAOYSA-N 1 1 332.403 4.232 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2[C@@H]3CC[C@H]2CC(F)(F)C3)cc1 ZINC000625677527 1043337375 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1043996330 /nfs/dbraw/zinc/99/63/30/1043996330.db2.gz KNYWBUCVCZLNRK-RXVVDRJESA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000521828214 1043996346 /nfs/dbraw/zinc/99/63/46/1043996346.db2.gz KNYWBUCVCZLNRK-RXVVDRJESA-N 1 1 336.479 4.177 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000766093391 1044052565 /nfs/dbraw/zinc/05/25/65/1044052565.db2.gz MAULTIMZIPBXDB-HNNXBMFYSA-N 1 1 333.863 4.446 20 30 EIEDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076214 1044217729 /nfs/dbraw/zinc/21/77/29/1044217729.db2.gz ZHNGJIZRQIZRED-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076214 1044217748 /nfs/dbraw/zinc/21/77/48/1044217748.db2.gz ZHNGJIZRQIZRED-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076214 1044217762 /nfs/dbraw/zinc/21/77/62/1044217762.db2.gz ZHNGJIZRQIZRED-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076214 1044217774 /nfs/dbraw/zinc/21/77/74/1044217774.db2.gz ZHNGJIZRQIZRED-BOSCWZPRSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104100 1044219267 /nfs/dbraw/zinc/21/92/67/1044219267.db2.gz GTLPRCMKKQVHHK-MSOLQXFVSA-N 1 1 333.479 4.434 20 30 EIEDMO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108153 1044238643 /nfs/dbraw/zinc/23/86/43/1044238643.db2.gz PJXBQWZJSGYKAT-HTAPYJJXSA-N 1 1 333.479 4.045 20 30 EIEDMO CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108153 1044238659 /nfs/dbraw/zinc/23/86/59/1044238659.db2.gz PJXBQWZJSGYKAT-HTAPYJJXSA-N 1 1 333.479 4.045 20 30 EIEDMO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108153 1044238680 /nfs/dbraw/zinc/23/86/80/1044238680.db2.gz PJXBQWZJSGYKAT-HTAPYJJXSA-N 1 1 333.479 4.045 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509958 1044283618 /nfs/dbraw/zinc/28/36/18/1044283618.db2.gz ZYIPPDSSVYBYGI-HIFRSBDPSA-N 1 1 343.452 4.015 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N\CC[N@H+]1CCc2ccccc2C1 ZINC000914556713 1044478438 /nfs/dbraw/zinc/47/84/38/1044478438.db2.gz FPQATGKZHHUSBR-HAHDFKILSA-N 1 1 330.431 4.023 20 30 EIEDMO C=C(C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000675783285 1044496929 /nfs/dbraw/zinc/49/69/29/1044496929.db2.gz FRFFAYLZLFXNHR-HNNXBMFYSA-N 1 1 336.414 4.079 20 30 EIEDMO C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000734296646 1044524383 /nfs/dbraw/zinc/52/43/83/1044524383.db2.gz SUVFGBOQVBDMCH-HNNXBMFYSA-N 1 1 338.411 4.047 20 30 EIEDMO C=CCSCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543429631 1044594664 /nfs/dbraw/zinc/59/46/64/1044594664.db2.gz SPTAYIOSOVAJEB-SFHVURJKSA-N 1 1 346.452 4.348 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1OCc1ccccn1 ZINC000495171368 1044750695 /nfs/dbraw/zinc/75/06/95/1044750695.db2.gz ZVLDQLHZTHFBQF-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO N#Cc1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000914862378 1044834488 /nfs/dbraw/zinc/83/44/88/1044834488.db2.gz FHEUYDZMBJGXMG-UHFFFAOYSA-N 1 1 348.837 4.086 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000735673795 1044857271 /nfs/dbraw/zinc/85/72/71/1044857271.db2.gz HBPOIQSYBYINES-OXJNMPFZSA-N 1 1 338.476 4.268 20 30 EIEDMO CC[N@@H+](CCC(=O)c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000509261197 1044867496 /nfs/dbraw/zinc/86/74/96/1044867496.db2.gz AVPBDJLZAWJOKW-INIZCTEOSA-N 1 1 336.435 4.223 20 30 EIEDMO C=C(C)COCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000474428635 1044976405 /nfs/dbraw/zinc/97/64/05/1044976405.db2.gz RXGLNEFBBFAGCL-OAQYLSRUSA-N 1 1 348.446 4.274 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3cc(C#N)cs3)cc2)C1 ZINC000156108049 1045006485 /nfs/dbraw/zinc/00/64/85/1045006485.db2.gz QTAZWJWDIBWAFG-OAHLLOKOSA-N 1 1 325.481 4.464 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000392091257 1045014858 /nfs/dbraw/zinc/01/48/58/1045014858.db2.gz JUFWBSGGBZIKGH-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO C[C@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000625980135 1045088168 /nfs/dbraw/zinc/08/81/68/1045088168.db2.gz DSCFKHUGTKHFSO-LBPRGKRZSA-N 1 1 333.300 4.056 20 30 EIEDMO C[C@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000625980135 1045088177 /nfs/dbraw/zinc/08/81/77/1045088177.db2.gz DSCFKHUGTKHFSO-LBPRGKRZSA-N 1 1 333.300 4.056 20 30 EIEDMO N#Cc1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000393827648 1045133694 /nfs/dbraw/zinc/13/36/94/1045133694.db2.gz IHTMPGYYMYQMDD-SFHVURJKSA-N 1 1 339.508 4.012 20 30 EIEDMO C=CCOc1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000509428027 1045155468 /nfs/dbraw/zinc/15/54/68/1045155468.db2.gz CFBAMZWZYNCDGT-UHFFFAOYSA-N 1 1 338.270 4.365 20 30 EIEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739912401 1045174674 /nfs/dbraw/zinc/17/46/74/1045174674.db2.gz JSSXXIARYRYCPY-PZJWPPBQSA-N 1 1 348.446 4.042 20 30 EIEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739912401 1045174681 /nfs/dbraw/zinc/17/46/81/1045174681.db2.gz JSSXXIARYRYCPY-PZJWPPBQSA-N 1 1 348.446 4.042 20 30 EIEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCSC1 ZINC000130598629 1045280178 /nfs/dbraw/zinc/28/01/78/1045280178.db2.gz NYDCPPKOUIDMNC-IBGZPJMESA-N 1 1 338.476 4.075 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350340 1045287864 /nfs/dbraw/zinc/28/78/64/1045287864.db2.gz JDJOPEYCTZFJSG-MSOLQXFVSA-N 1 1 326.484 4.126 20 30 EIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1cccc(C#N)c1 ZINC000611386049 1045292800 /nfs/dbraw/zinc/29/28/00/1045292800.db2.gz BFRDBFAPLJJDIU-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO CN(CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390231 1045302319 /nfs/dbraw/zinc/30/23/19/1045302319.db2.gz LFVIPYKMAGFDCA-JOCHJYFZSA-N 1 1 333.479 4.047 20 30 EIEDMO CC(C)c1[nH+]c(C=CC(=O)c2c[nH]c3ncccc23)c2ccccn21 ZINC000762600704 1045311379 /nfs/dbraw/zinc/31/13/79/1045311379.db2.gz PJVICXLNDVOZKF-CMDGGOBGSA-N 1 1 330.391 4.230 20 30 EIEDMO C[C@H](Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000611482718 1045317758 /nfs/dbraw/zinc/31/77/58/1045317758.db2.gz OWJGWOGXTKMOKT-IRXDYDNUSA-N 1 1 335.451 4.125 20 30 EIEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)C(C)(C)O1 ZINC000611484072 1045318258 /nfs/dbraw/zinc/31/82/58/1045318258.db2.gz HFEHGMAKMROTDL-HXUWFJFHSA-N 1 1 349.478 4.302 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(C#N)c1 ZINC000611500934 1045319334 /nfs/dbraw/zinc/31/93/34/1045319334.db2.gz GMEGJCHYXZPKFW-LBPRGKRZSA-N 1 1 340.224 4.043 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495982896 1045453440 /nfs/dbraw/zinc/45/34/40/1045453440.db2.gz PEHBOSHNALAKCV-ROUUACIJSA-N 1 1 349.519 4.182 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000533529653 1045545035 /nfs/dbraw/zinc/54/50/35/1045545035.db2.gz CAHPDSUBSCDKSQ-UHFFFAOYSA-N 1 1 345.512 4.090 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1 ZINC000790697523 1045560092 /nfs/dbraw/zinc/56/00/92/1045560092.db2.gz DZGFATFOOIOGRE-CQSZACIVSA-N 1 1 329.827 4.211 20 30 EIEDMO Cc1cc(CNc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)ccc1C#N ZINC000767688206 1045612379 /nfs/dbraw/zinc/61/23/79/1045612379.db2.gz BPIISCQSWZZLRT-QGZVFWFLSA-N 1 1 349.478 4.199 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)cc1 ZINC000767730530 1045620943 /nfs/dbraw/zinc/62/09/43/1045620943.db2.gz PYPWYSWCLKGGPP-QPJJXVBHSA-N 1 1 342.320 4.494 20 30 EIEDMO Cc1ccc([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)c(C)c1 ZINC001169978437 1045695579 /nfs/dbraw/zinc/69/55/79/1045695579.db2.gz AFIYWJKHWPCNPD-FQEVSTJZSA-N 1 1 334.463 4.434 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768470796 1045812304 /nfs/dbraw/zinc/81/23/04/1045812304.db2.gz KAEXLIXMILQGOS-QGZVFWFLSA-N 1 1 338.451 4.398 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247335253 1045847246 /nfs/dbraw/zinc/84/72/46/1045847246.db2.gz XDVBIQSFUFMGIA-IEBWSBKVSA-N 1 1 338.451 4.169 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001170185022 1045917007 /nfs/dbraw/zinc/91/70/07/1045917007.db2.gz SMXJOYXCMACSOL-PZJWPPBQSA-N 1 1 341.451 4.070 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2Cl)cc1 ZINC000769382253 1045943340 /nfs/dbraw/zinc/94/33/40/1045943340.db2.gz WOGBJHIWICTKLP-UHFFFAOYSA-N 1 1 345.849 4.461 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(F)cc2Cl)cc1 ZINC000769382253 1045943334 /nfs/dbraw/zinc/94/33/34/1045943334.db2.gz WOGBJHIWICTKLP-UHFFFAOYSA-N 1 1 345.849 4.461 20 30 EIEDMO CC(=[NH+]Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000916246582 1045967752 /nfs/dbraw/zinc/96/77/52/1045967752.db2.gz DVGNMHQFDQURBJ-UHFFFAOYSA-N 1 1 347.821 4.152 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446739 1045973863 /nfs/dbraw/zinc/97/38/63/1045973863.db2.gz TUGHWOFQPJZQBM-WIYYLYMNSA-N 1 1 333.479 4.414 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769549760 1046017050 /nfs/dbraw/zinc/01/70/50/1046017050.db2.gz VNHZLBWWYKJTSW-QAPCUYQASA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000769549760 1046017067 /nfs/dbraw/zinc/01/70/67/1046017067.db2.gz VNHZLBWWYKJTSW-QAPCUYQASA-N 1 1 326.827 4.317 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001170389046 1046025765 /nfs/dbraw/zinc/02/57/65/1046025765.db2.gz JVVPANPVZJTIOY-JSRJAPPDSA-N 1 1 331.463 4.275 20 30 EIEDMO C[N@@H+](Cc1cnc2ccccn12)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378469 1046032582 /nfs/dbraw/zinc/03/25/82/1046032582.db2.gz CLVJKEAHCHMQSS-UHFFFAOYSA-N 1 1 344.462 4.170 20 30 EIEDMO COC[C@@]12CCC[C@@H]1C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170381477 1046034052 /nfs/dbraw/zinc/03/40/52/1046034052.db2.gz QVYSPQFIRLHJOC-XBCQCDMNSA-N 1 1 338.495 4.139 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1cccc(C#N)c1 ZINC000139229825 1046066780 /nfs/dbraw/zinc/06/67/80/1046066780.db2.gz RNABTFAAFQGDDT-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(F)cc2F)ccc1O ZINC000916540228 1046072320 /nfs/dbraw/zinc/07/23/20/1046072320.db2.gz QPHKKUJMUKNAAH-UHFFFAOYSA-N 1 1 347.409 4.348 20 30 EIEDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000769785781 1046073563 /nfs/dbraw/zinc/07/35/63/1046073563.db2.gz DVWBSRWXZNWDBR-CVEARBPZSA-N 1 1 337.508 4.036 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000769962469 1046110897 /nfs/dbraw/zinc/11/08/97/1046110897.db2.gz RDLGDKICNRAVGX-UHFFFAOYSA-N 1 1 332.447 4.495 20 30 EIEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769935894 1046116643 /nfs/dbraw/zinc/11/66/43/1046116643.db2.gz DGDMLLQZHKGMIZ-QGZVFWFLSA-N 1 1 329.831 4.220 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413476 1046146428 /nfs/dbraw/zinc/14/64/28/1046146428.db2.gz MPRJAJYSNMMANS-BXTJHSDWSA-N 1 1 342.870 4.369 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1OC ZINC000916838057 1046380394 /nfs/dbraw/zinc/38/03/94/1046380394.db2.gz DNRKQBGJJSUXKC-ZDUSSCGKSA-N 1 1 333.378 4.389 20 30 EIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000916969289 1046531786 /nfs/dbraw/zinc/53/17/86/1046531786.db2.gz LFHGCPZUCGNVJN-UHFFFAOYSA-N 1 1 349.478 4.059 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000536664631 1046639711 /nfs/dbraw/zinc/63/97/11/1046639711.db2.gz RJJYJXIRRAUGTJ-RTWAWAEBSA-N 1 1 342.446 4.348 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000536664631 1046639715 /nfs/dbraw/zinc/63/97/15/1046639715.db2.gz RJJYJXIRRAUGTJ-RTWAWAEBSA-N 1 1 342.446 4.348 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C(C)C ZINC000917070597 1046648776 /nfs/dbraw/zinc/64/87/76/1046648776.db2.gz FLFMEZYMLUXHKS-HXUWFJFHSA-N 1 1 342.508 4.159 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000066863733 1046682377 /nfs/dbraw/zinc/68/23/77/1046682377.db2.gz XFXYKRBNNBCWPX-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000066863733 1046682395 /nfs/dbraw/zinc/68/23/95/1046682395.db2.gz XFXYKRBNNBCWPX-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000536745473 1046742575 /nfs/dbraw/zinc/74/25/75/1046742575.db2.gz WINBVHZGMIONAB-OWCLPIDISA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137633017 1046792264 /nfs/dbraw/zinc/79/22/64/1046792264.db2.gz XJPQQYKFRVVXLS-ZDUSSCGKSA-N 1 1 341.252 4.440 20 30 EIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137633017 1046792275 /nfs/dbraw/zinc/79/22/75/1046792275.db2.gz XJPQQYKFRVVXLS-ZDUSSCGKSA-N 1 1 341.252 4.440 20 30 EIEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]OCc1cccnc1 ZINC000746576522 1046826591 /nfs/dbraw/zinc/82/65/91/1046826591.db2.gz KIVONQIUBQDWHJ-HNNXBMFYSA-N 1 1 329.419 4.254 20 30 EIEDMO FC(F)(F)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000746577567 1046827928 /nfs/dbraw/zinc/82/79/28/1046827928.db2.gz HBKXAVQWDMQJFU-UHFFFAOYSA-N 1 1 334.345 4.147 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459692927 1046859607 /nfs/dbraw/zinc/85/96/07/1046859607.db2.gz IIKVXSINRLZTLB-VQTJNVASSA-N 1 1 326.484 4.355 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000497593749 1046875562 /nfs/dbraw/zinc/87/55/62/1046875562.db2.gz IUBPKQCFSSNDAO-MRXNPFEDSA-N 1 1 347.462 4.069 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000497593749 1046875568 /nfs/dbraw/zinc/87/55/68/1046875568.db2.gz IUBPKQCFSSNDAO-MRXNPFEDSA-N 1 1 347.462 4.069 20 30 EIEDMO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCCC2)nc1C1CC1 ZINC000917429554 1046885778 /nfs/dbraw/zinc/88/57/78/1046885778.db2.gz RVTSIQOLHYLVQO-UHFFFAOYSA-N 1 1 332.517 4.232 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCCC2)nc1C1CC1 ZINC000917429554 1046885783 /nfs/dbraw/zinc/88/57/83/1046885783.db2.gz RVTSIQOLHYLVQO-UHFFFAOYSA-N 1 1 332.517 4.232 20 30 EIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497613455 1046890924 /nfs/dbraw/zinc/89/09/24/1046890924.db2.gz WZKUSBDUBMUWJY-MRXNPFEDSA-N 1 1 338.451 4.467 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617779 1046893636 /nfs/dbraw/zinc/89/36/36/1046893636.db2.gz BFCLKXLGCZXYBO-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617779 1046893647 /nfs/dbraw/zinc/89/36/47/1046893647.db2.gz BFCLKXLGCZXYBO-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CCc1cccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000497620104 1046897075 /nfs/dbraw/zinc/89/70/75/1046897075.db2.gz MMXXATRYZJAOGD-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO CCc1cccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000497620104 1046897078 /nfs/dbraw/zinc/89/70/78/1046897078.db2.gz MMXXATRYZJAOGD-INIZCTEOSA-N 1 1 335.451 4.142 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847688 1047011936 /nfs/dbraw/zinc/01/19/36/1047011936.db2.gz FRZJOEBNIZIUMP-MRXNPFEDSA-N 1 1 337.508 4.038 20 30 EIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCC(F)(F)CC1 ZINC000805840847 1047030362 /nfs/dbraw/zinc/03/03/62/1047030362.db2.gz YUACRXHFRNPQIE-UHFFFAOYSA-N 1 1 328.790 4.252 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826658 1047035330 /nfs/dbraw/zinc/03/53/30/1047035330.db2.gz GJLTYPQEOLPTRP-SFHVURJKSA-N 1 1 349.519 4.230 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)CCCCCC#N)C1 ZINC000805917624 1047053936 /nfs/dbraw/zinc/05/39/36/1047053936.db2.gz SYINUIGCMNULBV-XLIONFOSSA-N 1 1 346.446 4.179 20 30 EIEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000537290060 1047070858 /nfs/dbraw/zinc/07/08/58/1047070858.db2.gz IFALWTFMKBWKSF-SJLPKXTDSA-N 1 1 342.483 4.388 20 30 EIEDMO CC[C@@H]1CC([N@H+]2CC[C@@](C)(C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170495487 1047085153 /nfs/dbraw/zinc/08/51/53/1047085153.db2.gz AACFTRANGHSPJW-QINHECLXSA-N 1 1 349.519 4.179 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2Cc3cccc(C)c3CC2(C)C)cc1 ZINC001170507107 1047249696 /nfs/dbraw/zinc/24/96/96/1047249696.db2.gz LYOJNCWTCHUEBO-UHFFFAOYSA-N 1 1 346.474 4.142 20 30 EIEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788802017 1047307166 /nfs/dbraw/zinc/30/71/66/1047307166.db2.gz NMZPAZPCVPTNDB-MKBNYLNASA-N 1 1 329.362 4.043 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360895 1047408446 /nfs/dbraw/zinc/40/84/46/1047408446.db2.gz AXNSKKGRJLRVNP-INIZCTEOSA-N 1 1 349.434 4.016 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)CCCn1cc[nH+]c1C ZINC000789720713 1047467543 /nfs/dbraw/zinc/46/75/43/1047467543.db2.gz XGIIJDYGUCVARE-UHFFFAOYSA-N 1 1 325.456 4.462 20 30 EIEDMO Cc1cccnc1N=NC1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000790188232 1047532083 /nfs/dbraw/zinc/53/20/83/1047532083.db2.gz WIWQDWDSNAZTGU-RTBURBONSA-N 1 1 334.467 4.090 20 30 EIEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747443584 1047579052 /nfs/dbraw/zinc/57/90/52/1047579052.db2.gz OUTSCNKSKPEYSI-QGZVFWFLSA-N 1 1 336.545 4.437 20 30 EIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130596271 1047748555 /nfs/dbraw/zinc/74/85/55/1047748555.db2.gz SWXSJYPAYNZMMS-KRWDZBQOSA-N 1 1 347.384 4.234 20 30 EIEDMO C#CCCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675837 1048113571 /nfs/dbraw/zinc/11/35/71/1048113571.db2.gz USTMFRMIZKDEBB-INIZCTEOSA-N 1 1 325.374 4.271 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716077 1048163537 /nfs/dbraw/zinc/16/35/37/1048163537.db2.gz CSPWIESROJVMSG-OAHLLOKOSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716077 1048163540 /nfs/dbraw/zinc/16/35/40/1048163540.db2.gz CSPWIESROJVMSG-OAHLLOKOSA-N 1 1 326.827 4.210 20 30 EIEDMO CCC(=[NH+]NCc1cccc2cccnc21)c1ccc(Cl)c(N)c1 ZINC000814803393 1048187563 /nfs/dbraw/zinc/18/75/63/1048187563.db2.gz FMTJLLZXWWKOLQ-UHFFFAOYSA-N 1 1 338.842 4.374 20 30 EIEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144068716 1048396805 /nfs/dbraw/zinc/39/68/05/1048396805.db2.gz ZHAWUSMJTSDPPV-UHFFFAOYSA-N 1 1 330.453 4.001 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC001144079529 1048410492 /nfs/dbraw/zinc/41/04/92/1048410492.db2.gz QCYACXWUTOSKKY-QFIPXVFZSA-N 1 1 325.415 4.101 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC001144079529 1048410496 /nfs/dbraw/zinc/41/04/96/1048410496.db2.gz QCYACXWUTOSKKY-QFIPXVFZSA-N 1 1 325.415 4.101 20 30 EIEDMO C#Cc1ccc(C[NH2+]Cc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000809624372 1048438356 /nfs/dbraw/zinc/43/83/56/1048438356.db2.gz LLKBJUNXZKYSPO-UHFFFAOYSA-N 1 1 334.444 4.090 20 30 EIEDMO C#Cc1ccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000809633730 1048447407 /nfs/dbraw/zinc/44/74/07/1048447407.db2.gz JKYBUGSGQUCLDY-UHFFFAOYSA-N 1 1 332.472 4.199 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cccc(OCC)c1O)c1ccc(Cl)cc1F ZINC000809698939 1048461204 /nfs/dbraw/zinc/46/12/04/1048461204.db2.gz IYLBLGFQXPVBSN-MRXNPFEDSA-N 1 1 333.790 4.048 20 30 EIEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144166834 1048478911 /nfs/dbraw/zinc/47/89/11/1048478911.db2.gz YIOLZVDFHQUJOC-KDOFPFPSSA-N 1 1 344.245 4.034 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144166834 1048478923 /nfs/dbraw/zinc/47/89/23/1048478923.db2.gz YIOLZVDFHQUJOC-KDOFPFPSSA-N 1 1 344.245 4.034 20 30 EIEDMO Cc1cc(C#N)cnc1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170589580 1048564538 /nfs/dbraw/zinc/56/45/38/1048564538.db2.gz OCHICWKMZNYQDA-INIZCTEOSA-N 1 1 349.265 4.283 20 30 EIEDMO Cc1ccnc(C#N)c1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170595557 1048613883 /nfs/dbraw/zinc/61/38/83/1048613883.db2.gz QVGNEVNKOKSVMQ-MRXNPFEDSA-N 1 1 349.265 4.283 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810035148 1048617328 /nfs/dbraw/zinc/61/73/28/1048617328.db2.gz ZYFGILPOYYHGGM-SFHVURJKSA-N 1 1 349.519 4.230 20 30 EIEDMO N#CCSCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000074980974 1048635921 /nfs/dbraw/zinc/63/59/21/1048635921.db2.gz KPKGOXUNOJVAHR-UHFFFAOYSA-N 1 1 339.302 4.060 20 30 EIEDMO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000810128920 1048639449 /nfs/dbraw/zinc/63/94/49/1048639449.db2.gz BKNMAWIBANVYOK-UHFFFAOYSA-N 1 1 334.250 4.221 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCCC1 ZINC001135280059 1048643823 /nfs/dbraw/zinc/64/38/23/1048643823.db2.gz PHZPEHYJJDSPHY-KRWDZBQOSA-N 1 1 334.891 4.195 20 30 EIEDMO O=[N+]([O-])c1cc(C=[NH+]Nc2cccc(F)c2)ccc1N1CCCCC1 ZINC000920383334 1048660720 /nfs/dbraw/zinc/66/07/20/1048660720.db2.gz DTNDYQANKBFNRE-UHFFFAOYSA-N 1 1 342.374 4.170 20 30 EIEDMO CC(C)(C#N)CC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000845720942 1048716940 /nfs/dbraw/zinc/71/69/40/1048716940.db2.gz WXZVYRAVROPJRE-UHFFFAOYSA-N 1 1 348.446 4.090 20 30 EIEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000133624294 1048752814 /nfs/dbraw/zinc/75/28/14/1048752814.db2.gz PUOAFEVNCFMSCS-IAGOWNOFSA-N 1 1 346.434 4.033 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)c1 ZINC001144717309 1048816608 /nfs/dbraw/zinc/81/66/08/1048816608.db2.gz KGUGVKYLTOZDTN-FQEVSTJZSA-N 1 1 331.419 4.083 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001171216752 1048839971 /nfs/dbraw/zinc/83/99/71/1048839971.db2.gz KNAIPQZYXPGWRO-AEMJNJESSA-N 1 1 338.495 4.016 20 30 EIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1nncc2ccccc21 ZINC000747626033 1048854866 /nfs/dbraw/zinc/85/48/66/1048854866.db2.gz QGNBKVANUZURAV-UHFFFAOYSA-N 1 1 347.466 4.186 20 30 EIEDMO CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222084 1048858750 /nfs/dbraw/zinc/85/87/50/1048858750.db2.gz CQJYMCGRLJXPGG-CVDCTZTESA-N 1 1 347.506 4.086 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230714 1048869877 /nfs/dbraw/zinc/86/98/77/1048869877.db2.gz XSDIQXUMSKBWTN-PGRDOPGGSA-N 1 1 348.490 4.453 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230704 1048870041 /nfs/dbraw/zinc/87/00/41/1048870041.db2.gz XSDIQXUMSKBWTN-AVRDEDQJSA-N 1 1 348.490 4.453 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860483 1048932625 /nfs/dbraw/zinc/93/26/25/1048932625.db2.gz IVJNVHHEYCHQSA-UXHICEINSA-N 1 1 338.426 4.375 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027844 1048982911 /nfs/dbraw/zinc/98/29/11/1048982911.db2.gz DFVILRHDTQRTKI-ROUUACIJSA-N 1 1 332.447 4.026 20 30 EIEDMO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)C(C)C)c(F)c1 ZINC000817581304 1049011146 /nfs/dbraw/zinc/01/11/46/1049011146.db2.gz PJPOQTIOOLHQDW-LJQANCHMSA-N 1 1 330.378 4.332 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCCc3occc3C2)ccc1OC ZINC000564329634 1049059037 /nfs/dbraw/zinc/05/90/37/1049059037.db2.gz CDRIAAXEBYOKPJ-UHFFFAOYSA-N 1 1 327.424 4.192 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986679 1049080188 /nfs/dbraw/zinc/08/01/88/1049080188.db2.gz STCUQCIUYVGIKB-RDJZCZTQSA-N 1 1 334.891 4.143 20 30 EIEDMO CCCCCCCCCCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000818006075 1049084827 /nfs/dbraw/zinc/08/48/27/1049084827.db2.gz XECFMQWSFMYDLD-IBGZPJMESA-N 1 1 331.504 4.085 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccc(Cl)cc1 ZINC000811516051 1049100595 /nfs/dbraw/zinc/10/05/95/1049100595.db2.gz CLHLCKOIGJTRLE-OAHLLOKOSA-N 1 1 336.218 4.172 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(Cl)cc1 ZINC000811517624 1049101956 /nfs/dbraw/zinc/10/19/56/1049101956.db2.gz XVYQYBUDFHXNEG-FQEVSTJZSA-N 1 1 337.854 4.154 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(Cl)cc1 ZINC000811516006 1049103203 /nfs/dbraw/zinc/10/32/03/1049103203.db2.gz AFMPXKFCHXKTAZ-KRWDZBQOSA-N 1 1 329.827 4.130 20 30 EIEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000609560451 1049148260 /nfs/dbraw/zinc/14/82/60/1049148260.db2.gz YBCFRXPCXKRPDC-UHFFFAOYSA-N 1 1 339.405 4.134 20 30 EIEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000609669994 1049253221 /nfs/dbraw/zinc/25/32/21/1049253221.db2.gz IATJCGASMWJRLC-CQSZACIVSA-N 1 1 340.393 4.039 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000609736730 1049305028 /nfs/dbraw/zinc/30/50/28/1049305028.db2.gz NIHZUTWBUXFBDQ-UTKZUKDTSA-N 1 1 341.499 4.121 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCCC3)C2)cc1Cl ZINC001171332443 1049321900 /nfs/dbraw/zinc/32/19/00/1049321900.db2.gz PYAOXZIFSUYLOL-MRXNPFEDSA-N 1 1 345.874 4.052 20 30 EIEDMO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000811926950 1049322517 /nfs/dbraw/zinc/32/25/17/1049322517.db2.gz FYOLNUBXESNHEJ-AZUAARDMSA-N 1 1 347.547 4.171 20 30 EIEDMO COCCCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000064621022 1049373131 /nfs/dbraw/zinc/37/31/31/1049373131.db2.gz IJFUGWOTWDVHGR-UHFFFAOYSA-N 1 1 347.462 4.240 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311422 1049423473 /nfs/dbraw/zinc/42/34/73/1049423473.db2.gz CADBNJLQKQMXQP-INIZCTEOSA-N 1 1 341.398 4.489 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359137 1049508614 /nfs/dbraw/zinc/50/86/14/1049508614.db2.gz AZKFKHQQDLIFCS-GOSISDBHSA-N 1 1 326.390 4.238 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000610132695 1049556123 /nfs/dbraw/zinc/55/61/23/1049556123.db2.gz ZQTYAUOJEABLCQ-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c(OC)c(OCC)c1)c1ccc(F)cc1 ZINC000812792765 1049579607 /nfs/dbraw/zinc/57/96/07/1049579607.db2.gz HTFHEKONPIMLGC-QGZVFWFLSA-N 1 1 347.817 4.351 20 30 EIEDMO C#CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000773113245 1049590304 /nfs/dbraw/zinc/59/03/04/1049590304.db2.gz CRBXOBGNABDUIU-UTKZUKDTSA-N 1 1 344.462 4.299 20 30 EIEDMO C#C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793271 1049591604 /nfs/dbraw/zinc/59/16/04/1049591604.db2.gz RJMUFUKHLZRMLV-XJABCFGWSA-N 1 1 336.454 4.000 20 30 EIEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847704 1049611518 /nfs/dbraw/zinc/61/15/18/1049611518.db2.gz FTGWHQDMVNFFFL-OXQOHEQNSA-N 1 1 327.855 4.136 20 30 EIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848013 1049611812 /nfs/dbraw/zinc/61/18/12/1049611812.db2.gz HPNZDDYZNKRZMV-LAUBAEHRSA-N 1 1 336.479 4.432 20 30 EIEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC1(C#N)CCCCC1 ZINC001171446759 1049696570 /nfs/dbraw/zinc/69/65/70/1049696570.db2.gz QSBNYHQVKGZBKW-IAGOWNOFSA-N 1 1 334.504 4.435 20 30 EIEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC1(C#N)CCCCC1 ZINC001171446759 1049696592 /nfs/dbraw/zinc/69/65/92/1049696592.db2.gz QSBNYHQVKGZBKW-IAGOWNOFSA-N 1 1 334.504 4.435 20 30 EIEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC001171489302 1049718941 /nfs/dbraw/zinc/71/89/41/1049718941.db2.gz GWBDXYPIWANNSN-UHFFFAOYSA-N 1 1 348.446 4.071 20 30 EIEDMO C[NH+]1C(C)(C)CC(N2CCC(C#N)(c3ccccc3)CC2)CC1(C)C ZINC001171628720 1049762580 /nfs/dbraw/zinc/76/25/80/1049762580.db2.gz HSPTVSGYJAIRHM-UHFFFAOYSA-N 1 1 339.527 4.195 20 30 EIEDMO CC1(C)C[C@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961853 1049825589 /nfs/dbraw/zinc/82/55/89/1049825589.db2.gz BGERVDYTDHHJLG-OAQYLSRUSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171961853 1049825593 /nfs/dbraw/zinc/82/55/93/1049825593.db2.gz BGERVDYTDHHJLG-OAQYLSRUSA-N 1 1 333.479 4.091 20 30 EIEDMO N#CCCC[C@H]([NH3+])c1nc(C2(c3ccc(F)cc3)CCCCC2)no1 ZINC000823185244 1049826809 /nfs/dbraw/zinc/82/68/09/1049826809.db2.gz QPBVEWMWAPDHJU-INIZCTEOSA-N 1 1 342.418 4.153 20 30 EIEDMO CC1(C)C[C@H](NCc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977483 1049836944 /nfs/dbraw/zinc/83/69/44/1049836944.db2.gz BPYGJXRNLXTLAS-GOSISDBHSA-N 1 1 339.508 4.153 20 30 EIEDMO CC[C@@H]1[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1C ZINC001136711861 1049842702 /nfs/dbraw/zinc/84/27/02/1049842702.db2.gz JPCJROPUZYTBQR-VQTJNVASSA-N 1 1 349.434 4.019 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094062 1049849002 /nfs/dbraw/zinc/84/90/02/1049849002.db2.gz JDVYKWRJAYQHDE-PIIMJCKOSA-N 1 1 349.519 4.323 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000823617259 1049862922 /nfs/dbraw/zinc/86/29/22/1049862922.db2.gz HXBXGPFPPSKUBV-KZULUSFZSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616593 1049863115 /nfs/dbraw/zinc/86/31/15/1049863115.db2.gz ATKOQWMFXMLYRQ-SCLBCKFNSA-N 1 1 348.368 4.303 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312807 1049875479 /nfs/dbraw/zinc/87/54/79/1049875479.db2.gz JQRKIXBGPIRFJC-UWJYYQICSA-N 1 1 334.463 4.473 20 30 EIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312872 1049875828 /nfs/dbraw/zinc/87/58/28/1049875828.db2.gz KZJJNGAPSHZFAH-AVRDEDQJSA-N 1 1 348.490 4.453 20 30 EIEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319535 1049877611 /nfs/dbraw/zinc/87/76/11/1049877611.db2.gz OAZFDLSEGQFGKO-AVRDEDQJSA-N 1 1 334.463 4.045 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)[C@@H]2CC ZINC001172373465 1049883679 /nfs/dbraw/zinc/88/36/79/1049883679.db2.gz MPHWIZYYOOLQOZ-RFBJODPTSA-N 1 1 332.532 4.233 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)[C@H]2CC ZINC001172373469 1049884006 /nfs/dbraw/zinc/88/40/06/1049884006.db2.gz MPHWIZYYOOLQOZ-UNJWAJPSSA-N 1 1 332.532 4.233 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001172356857 1049894606 /nfs/dbraw/zinc/89/46/06/1049894606.db2.gz YVGUEECZSWUJOV-INIZCTEOSA-N 1 1 349.519 4.310 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 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NBRHYPGRKUTRDY-SFHVURJKSA-N 1 1 347.418 4.216 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC001212325163 1050059486 /nfs/dbraw/zinc/05/94/86/1050059486.db2.gz LDHBYPJZGUUMFO-IBGZPJMESA-N 1 1 347.418 4.119 20 30 EIEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)C(C)C ZINC001177222698 1050168133 /nfs/dbraw/zinc/16/81/33/1050168133.db2.gz MJZSOBZTDBPPFJ-MRXNPFEDSA-N 1 1 335.561 4.229 20 30 EIEDMO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172965101 1050247232 /nfs/dbraw/zinc/24/72/32/1050247232.db2.gz YCVSEZOFRXFJRZ-KRWDZBQOSA-N 1 1 345.487 4.048 20 30 EIEDMO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172965101 1050247241 /nfs/dbraw/zinc/24/72/41/1050247241.db2.gz YCVSEZOFRXFJRZ-KRWDZBQOSA-N 1 1 345.487 4.048 20 30 EIEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000181670363 1050294489 /nfs/dbraw/zinc/29/44/89/1050294489.db2.gz OWXBSPHWSCJLGL-SFHVURJKSA-N 1 1 330.378 4.476 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173100642 1050301604 /nfs/dbraw/zinc/30/16/04/1050301604.db2.gz QPWQDAORTDGQDB-GZNCHQMQSA-N 1 1 342.483 4.139 20 30 EIEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC000618275869 1050326118 /nfs/dbraw/zinc/32/61/18/1050326118.db2.gz DIMURUFUKTWCAO-HXUWFJFHSA-N 1 1 348.490 4.245 20 30 EIEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000618284594 1050327705 /nfs/dbraw/zinc/32/77/05/1050327705.db2.gz YXMUCJRGJUHDNV-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000618284594 1050327725 /nfs/dbraw/zinc/32/77/25/1050327725.db2.gz YXMUCJRGJUHDNV-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000618284594 1050327733 /nfs/dbraw/zinc/32/77/33/1050327733.db2.gz YXMUCJRGJUHDNV-IBGZPJMESA-N 1 1 327.516 4.303 20 30 EIEDMO CCO[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000618281992 1050328727 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CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)C1CCCCC1 ZINC001173329512 1050420645 /nfs/dbraw/zinc/42/06/45/1050420645.db2.gz JFOBHQLGVXSSRY-VJFUWPCTSA-N 1 1 334.504 4.339 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001173327552 1050420805 /nfs/dbraw/zinc/42/08/05/1050420805.db2.gz OHABULPHGDFLDK-FAFZWHIHSA-N 1 1 332.513 4.152 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCSC[C@H]2c2ccc(OC)cc2)CC1 ZINC001173328063 1050420865 /nfs/dbraw/zinc/42/08/65/1050420865.db2.gz YZLWPZQYEDEPOI-UUKMXZOPSA-N 1 1 347.524 4.299 20 30 EIEDMO N#CCC1CCC([N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001173336808 1050425733 /nfs/dbraw/zinc/42/57/33/1050425733.db2.gz MQOXVNBDPZVZNL-UHFFFAOYSA-N 1 1 336.414 4.071 20 30 EIEDMO CN1CCC([N@@H+](Cc2ccc(F)cc2)C2CCC(CC#N)CC2)CC1 ZINC001173339402 1050427828 /nfs/dbraw/zinc/42/78/28/1050427828.db2.gz GNEHNXKNKBAQCQ-UHFFFAOYSA-N 1 1 343.490 4.194 20 30 EIEDMO CC[N@H+]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001173368411 1050444237 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EIEDMO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001173599787 1050500097 /nfs/dbraw/zinc/50/00/97/1050500097.db2.gz QXYVEGMSKHSNKR-CTHNVIJVSA-N 1 1 326.484 4.464 20 30 EIEDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600882 1050502603 /nfs/dbraw/zinc/50/26/03/1050502603.db2.gz LSHAKCBJPPZKQK-ZRZPHAQCSA-N 1 1 349.519 4.038 20 30 EIEDMO CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600652 1050502826 /nfs/dbraw/zinc/50/28/26/1050502826.db2.gz HSOYVMQWABTOIZ-GNZRSQJKSA-N 1 1 349.519 4.180 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000618742976 1050503284 /nfs/dbraw/zinc/50/32/84/1050503284.db2.gz UKLCEIMSVPPZQH-LJQANCHMSA-N 1 1 331.444 4.459 20 30 EIEDMO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646279 1050532676 /nfs/dbraw/zinc/53/26/76/1050532676.db2.gz YVKOUFBRBOBWOU-HKUYNNGSSA-N 1 1 334.504 4.437 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000093704318 1050663254 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C=CC[N@@H+](Cc1ccc(O[C@@H](C)COC)cc1)Cc1ccccc1F ZINC001180175477 1050895032 /nfs/dbraw/zinc/89/50/32/1050895032.db2.gz UZXZHBZXKIPXJP-KRWDZBQOSA-N 1 1 343.442 4.428 20 30 EIEDMO C=CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)Cc1ccccc1F ZINC001180175477 1050895035 /nfs/dbraw/zinc/89/50/35/1050895035.db2.gz UZXZHBZXKIPXJP-KRWDZBQOSA-N 1 1 343.442 4.428 20 30 EIEDMO CCCC(C)(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815710 1050919142 /nfs/dbraw/zinc/91/91/42/1050919142.db2.gz NVWJWAZTFKFSDN-LJQANCHMSA-N 1 1 349.544 4.183 20 30 EIEDMO C=CC[N@H+](Cc1[nH]cc(C(=O)OC)c1C1CC1)CC1CCCCC1 ZINC001180291482 1050959222 /nfs/dbraw/zinc/95/92/22/1050959222.db2.gz BXDRROVFLCAUMB-UHFFFAOYSA-N 1 1 330.472 4.247 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193526 1051058111 /nfs/dbraw/zinc/05/81/11/1051058111.db2.gz IXKXDGTWWIVYQY-QUCCMNQESA-N 1 1 340.511 4.007 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CC(C)(C)CCC2(C)C)c(C#N)c1C ZINC001174726962 1051151071 /nfs/dbraw/zinc/15/10/71/1051151071.db2.gz XVEWTEXCZANDMZ-UHFFFAOYSA-N 1 1 333.501 4.076 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CC(C)(C)CCC2(C)C)c(C#N)c1C ZINC001174726962 1051151076 /nfs/dbraw/zinc/15/10/76/1051151076.db2.gz XVEWTEXCZANDMZ-UHFFFAOYSA-N 1 1 333.501 4.076 20 30 EIEDMO Cn1nc(CC/[NH+]=C/c2c(O)ccc3ccccc32)c2ccccc21 ZINC000773904494 1051158101 /nfs/dbraw/zinc/15/81/01/1051158101.db2.gz BXZYIMCUPMXHCU-HYARGMPZSA-N 1 1 329.403 4.094 20 30 EIEDMO CCC[N@@H+](CCCN(CC)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC001190347266 1051160317 /nfs/dbraw/zinc/16/03/17/1051160317.db2.gz AGKWEGDOBNBFFN-UHFFFAOYSA-N 1 1 341.421 4.045 20 30 EIEDMO CCOc1ccc2c(c1)C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC001190570579 1051218151 /nfs/dbraw/zinc/21/81/51/1051218151.db2.gz FVJZZFGILNOIRT-UHFFFAOYSA-N 1 1 325.839 4.149 20 30 EIEDMO CCOc1ccc2c(c1)C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC001190570579 1051218158 /nfs/dbraw/zinc/21/81/58/1051218158.db2.gz FVJZZFGILNOIRT-UHFFFAOYSA-N 1 1 325.839 4.149 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001190644220 1051242631 /nfs/dbraw/zinc/24/26/31/1051242631.db2.gz UUXQCFNRCJELSS-SFHVURJKSA-N 1 1 327.428 4.401 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001190644219 1051243094 /nfs/dbraw/zinc/24/30/94/1051243094.db2.gz UUXQCFNRCJELSS-GOSISDBHSA-N 1 1 327.428 4.401 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2c(cccc2O)s1 ZINC001181697146 1051291167 /nfs/dbraw/zinc/29/11/67/1051291167.db2.gz GDEYLIKFTLSSLX-UHFFFAOYSA-N 1 1 343.448 4.271 20 30 EIEDMO C[C@@H]1SCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001191028955 1051331667 /nfs/dbraw/zinc/33/16/67/1051331667.db2.gz CVPFRYDVPNFAOZ-OXJNMPFZSA-N 1 1 325.452 4.356 20 30 EIEDMO C[C@@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001191028955 1051331676 /nfs/dbraw/zinc/33/16/76/1051331676.db2.gz CVPFRYDVPNFAOZ-OXJNMPFZSA-N 1 1 325.452 4.356 20 30 EIEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773952751 1051340396 /nfs/dbraw/zinc/34/03/96/1051340396.db2.gz BPYNNLGIJYVYBM-SFHVURJKSA-N 1 1 336.863 4.023 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(Br)cc1 ZINC001182043351 1051379659 /nfs/dbraw/zinc/37/96/59/1051379659.db2.gz JLXRCYITCPLFEN-KRWDZBQOSA-N 1 1 348.215 4.061 20 30 EIEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301312 1051484648 /nfs/dbraw/zinc/48/46/48/1051484648.db2.gz QWNWHFFWFMCOKD-KNQAVFIVSA-N 1 1 348.490 4.386 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001191741249 1051537701 /nfs/dbraw/zinc/53/77/01/1051537701.db2.gz IAPDLQWKJJWUKK-UXHICEINSA-N 1 1 342.389 4.097 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000080914766 1051615763 /nfs/dbraw/zinc/61/57/63/1051615763.db2.gz SWZGWUQJYZYCLA-CYBMUJFWSA-N 1 1 347.378 4.134 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001182497907 1051619253 /nfs/dbraw/zinc/61/92/53/1051619253.db2.gz FHVHEEAFQFBXSL-CYBMUJFWSA-N 1 1 329.394 4.095 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001182497907 1051619260 /nfs/dbraw/zinc/61/92/60/1051619260.db2.gz FHVHEEAFQFBXSL-CYBMUJFWSA-N 1 1 329.394 4.095 20 30 EIEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)c1F ZINC000774548239 1051722003 /nfs/dbraw/zinc/72/20/03/1051722003.db2.gz YRUUNOCWUMLJDP-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)c1F ZINC000774548239 1051722020 /nfs/dbraw/zinc/72/20/20/1051722020.db2.gz YRUUNOCWUMLJDP-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC001183155946 1051806223 /nfs/dbraw/zinc/80/62/23/1051806223.db2.gz JVACPVYKLSKYGB-INIZCTEOSA-N 1 1 341.838 4.047 20 30 EIEDMO CCC(C)(C)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC001192945462 1051834862 /nfs/dbraw/zinc/83/48/62/1051834862.db2.gz AGALYBNQOSXBEP-FQEVSTJZSA-N 1 1 327.516 4.040 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640957 1051853970 /nfs/dbraw/zinc/85/39/70/1051853970.db2.gz XRWUGEVVKBROOV-VAMGGRTRSA-N 1 1 340.854 4.145 20 30 EIEDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775582271 1051887141 /nfs/dbraw/zinc/88/71/41/1051887141.db2.gz UYVAGSVZYISCLO-UHFFFAOYSA-N 1 1 338.451 4.007 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775587258 1051893705 /nfs/dbraw/zinc/89/37/05/1051893705.db2.gz VJONGVLKSHTLGR-IBGZPJMESA-N 1 1 344.817 4.072 20 30 EIEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516835 1051942950 /nfs/dbraw/zinc/94/29/50/1051942950.db2.gz IJPQYWLTFDRQKM-HXUWFJFHSA-N 1 1 342.870 4.375 20 30 EIEDMO C=CC[N@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001193607038 1051964949 /nfs/dbraw/zinc/96/49/49/1051964949.db2.gz SEFWWEHWBXIAQV-SFHVURJKSA-N 1 1 346.268 4.267 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC001193754107 1051992041 /nfs/dbraw/zinc/99/20/41/1051992041.db2.gz PYUFKSIVBLFEDC-HXUWFJFHSA-N 1 1 342.527 4.175 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC001193859533 1052016815 /nfs/dbraw/zinc/01/68/15/1052016815.db2.gz KZFRJNBWBBNSCL-OAQYLSRUSA-N 1 1 328.419 4.285 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921179 1052028581 /nfs/dbraw/zinc/02/85/81/1052028581.db2.gz WFUYKTHNQANWAA-INIZCTEOSA-N 1 1 333.388 4.070 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001193943389 1052043344 /nfs/dbraw/zinc/04/33/44/1052043344.db2.gz WBAFUAIZOUQKSQ-PZJWPPBQSA-N 1 1 326.484 4.075 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001193943389 1052043355 /nfs/dbraw/zinc/04/33/55/1052043355.db2.gz WBAFUAIZOUQKSQ-PZJWPPBQSA-N 1 1 326.484 4.075 20 30 EIEDMO N#CC1(CCN2CCN(c3cc[nH+]c4ccccc43)CC2)CCCCC1 ZINC001194203874 1052104630 /nfs/dbraw/zinc/10/46/30/1052104630.db2.gz KECYUXALNZKLLN-UHFFFAOYSA-N 1 1 348.494 4.221 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262521 1052119278 /nfs/dbraw/zinc/11/92/78/1052119278.db2.gz OPYHEJCCYMAVFE-KRWDZBQOSA-N 1 1 345.368 4.352 20 30 EIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001194300861 1052123788 /nfs/dbraw/zinc/12/37/88/1052123788.db2.gz QXTFORNSQBTAQG-UHFFFAOYSA-N 1 1 339.870 4.232 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001176767309 1052193102 /nfs/dbraw/zinc/19/31/02/1052193102.db2.gz FIOYKQQOLQFOFR-MSOLQXFVSA-N 1 1 334.891 4.338 20 30 EIEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2s1)C(C)C ZINC000774841179 1052193942 /nfs/dbraw/zinc/19/39/42/1052193942.db2.gz XALLUURUSKFJTE-UHFFFAOYSA-N 1 1 325.275 4.455 20 30 EIEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000072697600 1052571645 /nfs/dbraw/zinc/57/16/45/1052571645.db2.gz ILUUJCAFLQRZLI-OWCLPIDISA-N 1 1 345.512 4.140 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+](C2CC2)C2CCCC2)c2ccccc21 ZINC000174817944 1052574770 /nfs/dbraw/zinc/57/47/70/1052574770.db2.gz SAJIMKKXJLGDAE-UHFFFAOYSA-N 1 1 335.451 4.145 20 30 EIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000179933095 1052765906 /nfs/dbraw/zinc/76/59/06/1052765906.db2.gz AVDRGZWZCGMDDY-CQSZACIVSA-N 1 1 326.415 4.486 20 30 EIEDMO CC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000185113125 1053013105 /nfs/dbraw/zinc/01/31/05/1053013105.db2.gz XAEKPKNUSUEYCL-AWEZNQCLSA-N 1 1 340.370 4.134 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683537 1053071870 /nfs/dbraw/zinc/07/18/70/1053071870.db2.gz ORUQLODIQNHJDQ-ZRGWGRIASA-N 1 1 335.407 4.233 20 30 EIEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001195083447 1053265374 /nfs/dbraw/zinc/26/53/74/1053265374.db2.gz BSZKBWRUUNLZQY-NRFANRHFSA-N 1 1 333.479 4.140 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000764746700 1053289112 /nfs/dbraw/zinc/28/91/12/1053289112.db2.gz QNXWWWLTYOZUAP-AUSIDOKSSA-N 1 1 348.490 4.186 20 30 EIEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251976 1053346595 /nfs/dbraw/zinc/34/65/95/1053346595.db2.gz ZFIUXQNAECAWQC-DLBZAZTESA-N 1 1 334.504 4.150 20 30 EIEDMO CC[N@H+](CC#Cc1ccc(Cl)cc1)CCOc1ccccc1C ZINC001195322422 1053358396 /nfs/dbraw/zinc/35/83/96/1053358396.db2.gz FKCJEMXZYWNURF-UHFFFAOYSA-N 1 1 327.855 4.401 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001195367323 1053384801 /nfs/dbraw/zinc/38/48/01/1053384801.db2.gz IGRKDYLWZMVODN-CYBMUJFWSA-N 1 1 344.361 4.115 20 30 EIEDMO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(C#N)cc1F ZINC000552086341 1053451792 /nfs/dbraw/zinc/45/17/92/1053451792.db2.gz DHARKSOLNPPREU-AWEZNQCLSA-N 1 1 341.405 4.287 20 30 EIEDMO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCCCC1 ZINC001127837659 1053468935 /nfs/dbraw/zinc/46/89/35/1053468935.db2.gz ZNQVVMKXRRFXJD-UHFFFAOYSA-N 1 1 340.511 4.166 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000794839086 1053515412 /nfs/dbraw/zinc/51/54/12/1053515412.db2.gz YPAUVXFYPDARJX-IVMQYODDSA-N 1 1 348.918 4.485 20 30 EIEDMO C=CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)COC ZINC001196048025 1053572250 /nfs/dbraw/zinc/57/22/50/1053572250.db2.gz LMFZDHRJBIDWDE-HXUWFJFHSA-N 1 1 348.490 4.409 20 30 EIEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000552199992 1053577270 /nfs/dbraw/zinc/57/72/70/1053577270.db2.gz QSTKXZPQBKYPMP-MRXNPFEDSA-N 1 1 333.863 4.051 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315097 1053630138 /nfs/dbraw/zinc/63/01/38/1053630138.db2.gz ZPFVAJCBWFGCDN-FUHWJXTLSA-N 1 1 341.417 4.430 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001196302500 1053636992 /nfs/dbraw/zinc/63/69/92/1053636992.db2.gz MDBWODHNUADZSI-JOCHJYFZSA-N 1 1 326.528 4.413 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001196442547 1053660909 /nfs/dbraw/zinc/66/09/09/1053660909.db2.gz REBFOHHGMFDJLL-ZDUSSCGKSA-N 1 1 331.257 4.395 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261440 1053667420 /nfs/dbraw/zinc/66/74/20/1053667420.db2.gz UPJXRNYOBSHGTD-HSZRJFAPSA-N 1 1 349.522 4.386 20 30 EIEDMO CC(C)C[N@@H+](CCO[C@@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC001196470264 1053675079 /nfs/dbraw/zinc/67/50/79/1053675079.db2.gz NRLXGHARCBVNDZ-AWEZNQCLSA-N 1 1 328.378 4.092 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1c(F)cccc1F ZINC000338956585 1053688924 /nfs/dbraw/zinc/68/89/24/1053688924.db2.gz KPXVLAJKAGJLLO-AWEZNQCLSA-N 1 1 330.378 4.498 20 30 EIEDMO Cc1cccc(C)c1OCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622815 1053715235 /nfs/dbraw/zinc/71/52/35/1053715235.db2.gz LNZXZLCPKVTBOH-UHFFFAOYSA-N 1 1 334.463 4.197 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001196693104 1053725516 /nfs/dbraw/zinc/72/55/16/1053725516.db2.gz JYVOSNCFSPLHHY-UHFFFAOYSA-N 1 1 346.352 4.144 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001196693104 1053725530 /nfs/dbraw/zinc/72/55/30/1053725530.db2.gz JYVOSNCFSPLHHY-UHFFFAOYSA-N 1 1 346.352 4.144 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\CCc3ccc(O)cc3C2=O)c2ccccn21 ZINC000794960510 1053831596 /nfs/dbraw/zinc/83/15/96/1053831596.db2.gz UINLERSFGDTEGE-RVDMUPIBSA-N 1 1 332.403 4.376 20 30 EIEDMO CCCC[NH+](CCCC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000867631022 1053841389 /nfs/dbraw/zinc/84/13/89/1053841389.db2.gz MYEXAHUYGHPJIJ-OAHLLOKOSA-N 1 1 343.496 4.375 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001197272453 1053866321 /nfs/dbraw/zinc/86/63/21/1053866321.db2.gz AGWFUIARNQUXLX-IRLDBZIGSA-N 1 1 344.543 4.322 20 30 EIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130780729 1053874178 /nfs/dbraw/zinc/87/41/78/1053874178.db2.gz JFJKLBSUPLIUSU-UHFFFAOYSA-N 1 1 348.425 4.132 20 30 EIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130780729 1053874184 /nfs/dbraw/zinc/87/41/84/1053874184.db2.gz JFJKLBSUPLIUSU-UHFFFAOYSA-N 1 1 348.425 4.132 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 ZINC000776849486 1054006661 /nfs/dbraw/zinc/00/66/61/1054006661.db2.gz LALLGLZSHCQQLQ-WBADGQHESA-N 1 1 346.474 4.250 20 30 EIEDMO C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533580 1054080240 /nfs/dbraw/zinc/08/02/40/1054080240.db2.gz GVIJTBWUPGTXRO-NRFANRHFSA-N 1 1 333.479 4.141 20 30 EIEDMO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533580 1054080251 /nfs/dbraw/zinc/08/02/51/1054080251.db2.gz GVIJTBWUPGTXRO-NRFANRHFSA-N 1 1 333.479 4.141 20 30 EIEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001198309985 1054128423 /nfs/dbraw/zinc/12/84/23/1054128423.db2.gz NKIBPYHOTHCBEC-NRFANRHFSA-N 1 1 342.483 4.201 20 30 EIEDMO CCCCCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000123744554 1054250850 /nfs/dbraw/zinc/25/08/50/1054250850.db2.gz YERANJMANAXVAG-UHFFFAOYSA-N 1 1 330.472 4.390 20 30 EIEDMO C=CCCCC[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837702 1054289158 /nfs/dbraw/zinc/28/91/58/1054289158.db2.gz PMBHOUFJYKGRQR-XLIONFOSSA-N 1 1 336.520 4.360 20 30 EIEDMO CC[NH+](CC)[C@@H](CNCc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001199188923 1054362402 /nfs/dbraw/zinc/36/24/02/1054362402.db2.gz GUQHWONWACMURA-JOCHJYFZSA-N 1 1 349.522 4.218 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045973 1054407838 /nfs/dbraw/zinc/40/78/38/1054407838.db2.gz FDZXENCPTBJEPU-MGPUTAFESA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2ccc(Cl)cc2)no1 ZINC000872182169 1054422627 /nfs/dbraw/zinc/42/26/27/1054422627.db2.gz HASHCPAIXYRDOF-LBPRGKRZSA-N 1 1 326.227 4.191 20 30 EIEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059346 1054442243 /nfs/dbraw/zinc/44/22/43/1054442243.db2.gz XPXXZPWJRGZXAP-SFHVURJKSA-N 1 1 349.409 4.222 20 30 EIEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011867 1054445961 /nfs/dbraw/zinc/44/59/61/1054445961.db2.gz BYBWBDVSLGAMHI-RHSMWYFYSA-N 1 1 339.405 4.199 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761739 1054464400 /nfs/dbraw/zinc/46/44/00/1054464400.db2.gz ZXAQQURXCPUUDR-HDICACEKSA-N 1 1 339.527 4.088 20 30 EIEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761739 1054464412 /nfs/dbraw/zinc/46/44/12/1054464412.db2.gz ZXAQQURXCPUUDR-HDICACEKSA-N 1 1 339.527 4.088 20 30 EIEDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761744 1054464489 /nfs/dbraw/zinc/46/44/89/1054464489.db2.gz ZXAQQURXCPUUDR-QZTJIDSGSA-N 1 1 339.527 4.088 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)cc(OC)c1OC ZINC000858377177 1054477442 /nfs/dbraw/zinc/47/74/42/1054477442.db2.gz VRSPXUYXMTVLGI-ZDUSSCGKSA-N 1 1 332.469 4.048 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000124841705 1054628325 /nfs/dbraw/zinc/62/83/25/1054628325.db2.gz WWGZOGBNOYABPO-UHFFFAOYSA-N 1 1 338.432 4.095 20 30 EIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCOCCC#N ZINC000339018868 1054686265 /nfs/dbraw/zinc/68/62/65/1054686265.db2.gz JLJKHZPMXSENJD-OAHLLOKOSA-N 1 1 329.469 4.042 20 30 EIEDMO N#Cc1cc(F)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477997 1054830656 /nfs/dbraw/zinc/83/06/56/1054830656.db2.gz QAFSPLNTVMIGIG-UXHICEINSA-N 1 1 333.410 4.430 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001201776681 1054914885 /nfs/dbraw/zinc/91/48/85/1054914885.db2.gz HWKNULZLXZAAJM-QFIPXVFZSA-N 1 1 342.527 4.390 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001201776477 1054915462 /nfs/dbraw/zinc/91/54/62/1054915462.db2.gz DIRHQJPGKJTBHT-VXKWHMMOSA-N 1 1 342.527 4.221 20 30 EIEDMO CCCCCCCC[N@@H+]1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001201825706 1054925324 /nfs/dbraw/zinc/92/53/24/1054925324.db2.gz DEBVNTASCCJPQJ-UHFFFAOYSA-N 1 1 344.478 4.184 20 30 EIEDMO CCCCCCCC[N@H+]1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001201825706 1054925336 /nfs/dbraw/zinc/92/53/36/1054925336.db2.gz DEBVNTASCCJPQJ-UHFFFAOYSA-N 1 1 344.478 4.184 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201838660 1054930895 /nfs/dbraw/zinc/93/08/95/1054930895.db2.gz BHWMYWOXUSUVFQ-RBBKRZOGSA-N 1 1 342.527 4.343 20 30 EIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201846842 1054933782 /nfs/dbraw/zinc/93/37/82/1054933782.db2.gz NGNIDZRISDDKCZ-HDICACEKSA-N 1 1 332.488 4.034 20 30 EIEDMO CCCCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201874885 1054941246 /nfs/dbraw/zinc/94/12/46/1054941246.db2.gz KOFLFYZEDCPSCK-KDURUIRLSA-N 1 1 346.515 4.424 20 30 EIEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001201874944 1054941680 /nfs/dbraw/zinc/94/16/80/1054941680.db2.gz LXLDPJPRICWJKE-HXUWFJFHSA-N 1 1 330.520 4.272 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CC[C@H](C)CCC=C(C)C)CC2 ZINC001201974187 1054974284 /nfs/dbraw/zinc/97/42/84/1054974284.db2.gz WLPUCNYMFDGYPS-GOSISDBHSA-N 1 1 345.531 4.253 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(OC(F)F)c1 ZINC000876933569 1054985292 /nfs/dbraw/zinc/98/52/92/1054985292.db2.gz SPWLVNKVYNTELB-JTQLQIEISA-N 1 1 337.757 4.059 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000877138061 1055026465 /nfs/dbraw/zinc/02/64/65/1055026465.db2.gz INLBMWIWQKOYTE-OAHLLOKOSA-N 1 1 348.233 4.264 20 30 EIEDMO C=CCOCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000339037647 1055067390 /nfs/dbraw/zinc/06/73/90/1055067390.db2.gz OUAJDIDUEHHGHT-KRWDZBQOSA-N 1 1 331.847 4.070 20 30 EIEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000339037647 1055067401 /nfs/dbraw/zinc/06/74/01/1055067401.db2.gz OUAJDIDUEHHGHT-KRWDZBQOSA-N 1 1 331.847 4.070 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552340 1055078379 /nfs/dbraw/zinc/07/83/79/1055078379.db2.gz CRTXCEMHSDJAIS-FGTMMUONSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1Cc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000877937366 1055156911 /nfs/dbraw/zinc/15/69/11/1055156911.db2.gz LFPHFDSGPDMHTE-VGSWGCGISA-N 1 1 332.447 4.046 20 30 EIEDMO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000624465218 1055307583 /nfs/dbraw/zinc/30/75/83/1055307583.db2.gz IDPDZEXMLBBXCI-RDJZCZTQSA-N 1 1 349.544 4.033 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2c(C)cc(C)cc2C1)c1ccccc1 ZINC000878458288 1055318840 /nfs/dbraw/zinc/31/88/40/1055318840.db2.gz MOAQKFWTVOSRST-HSZRJFAPSA-N 1 1 346.474 4.102 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C/C(C)=C\c1ccccc1)c1ccccc1 ZINC000878509635 1055328648 /nfs/dbraw/zinc/32/86/48/1055328648.db2.gz SEXFMIHGHOLRNN-NMJXDZPISA-N 1 1 346.474 4.462 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000127175620 1055337746 /nfs/dbraw/zinc/33/77/46/1055337746.db2.gz XXLLDWQOEJDZGD-OALUTQOASA-N 1 1 326.827 4.082 20 30 EIEDMO Cc1nsc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1C#N ZINC000553250904 1055381448 /nfs/dbraw/zinc/38/14/48/1055381448.db2.gz SKYJCEVFNLDYEX-INIZCTEOSA-N 1 1 346.887 4.226 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420790 1055805028 /nfs/dbraw/zinc/80/50/28/1055805028.db2.gz JTZRCEDCZJRZTI-AZUAARDMSA-N 1 1 342.389 4.189 20 30 EIEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301854056 1055993651 /nfs/dbraw/zinc/99/36/51/1055993651.db2.gz CGKIZBVPYWTEES-KXBFYZLASA-N 1 1 343.833 4.456 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302840025 1056077521 /nfs/dbraw/zinc/07/75/21/1056077521.db2.gz ZVFZHTJZXFPCDF-ROUUACIJSA-N 1 1 347.796 4.347 20 30 EIEDMO N#Cc1cccc(C#N)c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000302905034 1056085120 /nfs/dbraw/zinc/08/51/20/1056085120.db2.gz VOQOIXUTUHTPMM-SEJPIABJSA-N 1 1 342.446 4.037 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000303141480 1056142779 /nfs/dbraw/zinc/14/27/79/1056142779.db2.gz QCKZAXYQVYCBDF-OAHLLOKOSA-N 1 1 325.843 4.095 20 30 EIEDMO C=CCCC1(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CC1 ZINC000338723449 1056559662 /nfs/dbraw/zinc/55/96/62/1056559662.db2.gz KGSSUUGWILYEJI-UHFFFAOYSA-N 1 1 333.501 4.204 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741791666 1058373834 /nfs/dbraw/zinc/37/38/34/1058373834.db2.gz WWIJTYJDWBGFIC-QGZVFWFLSA-N 1 1 340.854 4.307 20 30 EIEDMO CC(C)C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000741792318 1058375453 /nfs/dbraw/zinc/37/54/53/1058375453.db2.gz ZHJULYZOXMOWPQ-HXUWFJFHSA-N 1 1 344.405 4.028 20 30 EIEDMO C=C(C)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000742263678 1058561983 /nfs/dbraw/zinc/56/19/83/1058561983.db2.gz TZFVYXHXBXCSPA-LJQANCHMSA-N 1 1 329.827 4.366 20 30 EIEDMO Cn1cc[nH+]c1C[C@H](/N=C\c1cc(Cl)ccc1O)c1ccccc1 ZINC000743045045 1058849538 /nfs/dbraw/zinc/84/95/38/1058849538.db2.gz XCEGVVINRMXSCL-RIWZNOJBSA-N 1 1 339.826 4.182 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC000743379352 1058986045 /nfs/dbraw/zinc/98/60/45/1058986045.db2.gz NNVXELRBFHTCRK-GDBMZVCRSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC000743379352 1058986061 /nfs/dbraw/zinc/98/60/61/1058986061.db2.gz NNVXELRBFHTCRK-GDBMZVCRSA-N 1 1 334.533 4.336 20 30 EIEDMO CCCCCCCCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000743675442 1059073527 /nfs/dbraw/zinc/07/35/27/1059073527.db2.gz WANNOHNHPDVSOY-YQQQUEKLSA-N 1 1 337.552 4.394 20 30 EIEDMO C#CC[N@H+](CCC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848048 1059149093 /nfs/dbraw/zinc/14/90/93/1059149093.db2.gz MVCSHRRPHYEKFD-MRXNPFEDSA-N 1 1 334.257 4.008 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842792 1059172112 /nfs/dbraw/zinc/17/21/12/1059172112.db2.gz JMTOBYSHHMOZHY-IBGZPJMESA-N 1 1 328.843 4.156 20 30 EIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869125 1059181984 /nfs/dbraw/zinc/18/19/84/1059181984.db2.gz LSCYMGCTQGEDOK-HOTGVXAUSA-N 1 1 338.904 4.348 20 30 EIEDMO C#CC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739277 1059623340 /nfs/dbraw/zinc/62/33/40/1059623340.db2.gz RDVSTIPPEDAFAV-JXFKEZNVSA-N 1 1 349.902 4.046 20 30 EIEDMO CCCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000745345650 1059816182 /nfs/dbraw/zinc/81/61/82/1059816182.db2.gz LDKMSYVNUPJOET-MOPGFXCFSA-N 1 1 337.552 4.394 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745707318 1059880143 /nfs/dbraw/zinc/88/01/43/1059880143.db2.gz ZLYAYXZHPUXNGX-OKZBNKHCSA-N 1 1 325.541 4.107 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+](Cc2cccc(C)c2)CC(C)C)c1=S ZINC000746054036 1059994318 /nfs/dbraw/zinc/99/43/18/1059994318.db2.gz QLYPLGOUVSNCHL-UHFFFAOYSA-N 1 1 344.528 4.333 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+](Cc2cccc(C)c2)CC(C)C)c1=S ZINC000746054036 1059994345 /nfs/dbraw/zinc/99/43/45/1059994345.db2.gz QLYPLGOUVSNCHL-UHFFFAOYSA-N 1 1 344.528 4.333 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000746450994 1060341423 /nfs/dbraw/zinc/34/14/23/1060341423.db2.gz PLPVFKKPWGSRMV-UHFFFAOYSA-N 1 1 337.467 4.043 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169702470 1060911918 /nfs/dbraw/zinc/91/19/18/1060911918.db2.gz FVZNCWJQZATMRF-IBGZPJMESA-N 1 1 330.472 4.076 20 30 EIEDMO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccc(OCC)cc2)CCCC1(C)C ZINC001169845052 1060997700 /nfs/dbraw/zinc/99/77/00/1060997700.db2.gz RBTGSCVWMNJQPU-IBGZPJMESA-N 1 1 344.499 4.481 20 30 EIEDMO C#CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000766916844 1061060723 /nfs/dbraw/zinc/06/07/23/1061060723.db2.gz LFTHMISSGXRIMQ-MRXNPFEDSA-N 1 1 339.266 4.200 20 30 EIEDMO C#CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000766916844 1061060733 /nfs/dbraw/zinc/06/07/33/1061060733.db2.gz LFTHMISSGXRIMQ-MRXNPFEDSA-N 1 1 339.266 4.200 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098068890 219077294 /nfs/dbraw/zinc/07/72/94/219077294.db2.gz ZOEVHEULWFTXGH-OLZOCXBDSA-N 1 1 345.512 4.068 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098068890 219077296 /nfs/dbraw/zinc/07/72/96/219077296.db2.gz ZOEVHEULWFTXGH-OLZOCXBDSA-N 1 1 345.512 4.068 20 30 EIEDMO N#Cc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532243979 1032120108 /nfs/dbraw/zinc/12/01/08/1032120108.db2.gz QSDWFWGEHRNBBH-DHIUTWEWSA-N 1 1 345.490 4.045 20 30 EIEDMO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121896 /nfs/dbraw/zinc/12/18/96/1032121896.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 1 1 345.490 4.045 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCCC1 ZINC000105423692 1032181073 /nfs/dbraw/zinc/18/10/73/1032181073.db2.gz NGMSNEMXHJMTQN-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000237505965 1032232109 /nfs/dbraw/zinc/23/21/09/1032232109.db2.gz HEXAHNWQOGRASC-HRAATJIYSA-N 1 1 332.403 4.450 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000532899553 1032389192 /nfs/dbraw/zinc/38/91/92/1032389192.db2.gz KONYIIXTYZSLKZ-UHFFFAOYSA-N 1 1 347.462 4.187 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](CC)c1ccccc1 ZINC000532929702 1032394209 /nfs/dbraw/zinc/39/42/09/1032394209.db2.gz PIPHKDVPNPNWAW-KRWDZBQOSA-N 1 1 341.480 4.422 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000532922085 1032403687 /nfs/dbraw/zinc/40/36/87/1032403687.db2.gz KVUWBTYKBUZBPA-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC2(C#N)CCC2)cc1OC ZINC000450341137 1032431354 /nfs/dbraw/zinc/43/13/54/1032431354.db2.gz YYJUSQHFLYCLSV-GOSISDBHSA-N 1 1 342.483 4.185 20 30 EIEDMO CCCO[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177153012 1032488339 /nfs/dbraw/zinc/48/83/39/1032488339.db2.gz GZMNAFQMQDPPJZ-SFHVURJKSA-N 1 1 339.401 4.338 20 30 EIEDMO C[C@@H](C#N)C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1CC1 ZINC000450612957 1032583149 /nfs/dbraw/zinc/58/31/49/1032583149.db2.gz LMXWPUSTVQEIPI-ZDUSSCGKSA-N 1 1 349.272 4.036 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CCCC(=O)c1ccc(Br)cc1)C1CC1 ZINC000450612957 1032583162 /nfs/dbraw/zinc/58/31/62/1032583162.db2.gz LMXWPUSTVQEIPI-ZDUSSCGKSA-N 1 1 349.272 4.036 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2ncccc2c1 ZINC000512379508 1032587783 /nfs/dbraw/zinc/58/77/83/1032587783.db2.gz JTMGPGCAHKFXHD-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccccc1 ZINC000015260108 1032661094 /nfs/dbraw/zinc/66/10/94/1032661094.db2.gz ZDOURMRAQBCCCM-UHFFFAOYSA-N 1 1 349.478 4.072 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCOC2)cc1 ZINC000533350156 1032680248 /nfs/dbraw/zinc/68/02/48/1032680248.db2.gz AQWCWUHCRRKPTL-HXUWFJFHSA-N 1 1 338.426 4.126 20 30 EIEDMO N#Cc1ccc(OCC[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000015299479 1032738021 /nfs/dbraw/zinc/73/80/21/1032738021.db2.gz XMLYVCUAHNTMCX-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000015299479 1032738034 /nfs/dbraw/zinc/73/80/34/1032738034.db2.gz XMLYVCUAHNTMCX-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000274545829 1018783914 /nfs/dbraw/zinc/78/39/14/1018783914.db2.gz COTUZQULOVXWDU-VHSXEESVSA-N 1 1 325.359 4.445 20 30 EIEDMO COc1cc2c(cc1C[NH2+][C@H](CCC#N)c1ccccc1)O[C@@H](C)C2 ZINC000533496812 1032804216 /nfs/dbraw/zinc/80/42/16/1032804216.db2.gz PGNFDXDIPFYVKC-HNAYVOBHSA-N 1 1 336.435 4.153 20 30 EIEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001266291360 1019455045 /nfs/dbraw/zinc/45/50/45/1019455045.db2.gz CWIIPHWUSYYYGW-IEBWSBKVSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CC(C)(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001266291361 1019457985 /nfs/dbraw/zinc/45/79/85/1019457985.db2.gz CWIIPHWUSYYYGW-MJGOQNOKSA-N 1 1 328.500 4.006 20 30 EIEDMO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182853034 1019738633 /nfs/dbraw/zinc/73/86/33/1019738633.db2.gz VZFLAUAVHNOAGJ-ROUUACIJSA-N 1 1 335.536 4.027 20 30 EIEDMO COc1ccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)cc1OCCCC#N ZINC000179496677 1019742718 /nfs/dbraw/zinc/74/27/18/1019742718.db2.gz FDBYXCFOIBTBJO-INIZCTEOSA-N 1 1 330.472 4.387 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(F)c(F)c1 ZINC000274882054 1019827930 /nfs/dbraw/zinc/82/79/30/1019827930.db2.gz NJQDDJOWYOLFGU-AWEZNQCLSA-N 1 1 327.325 4.043 20 30 EIEDMO C#CC[N@H+](CCOc1ccc(Cl)c(F)c1)[C@H]1CCc2ccccc21 ZINC001167179448 1020490565 /nfs/dbraw/zinc/49/05/65/1020490565.db2.gz ZYNYFPYXBSCXAP-FQEVSTJZSA-N 1 1 343.829 4.481 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000261451999 1020566439 /nfs/dbraw/zinc/56/64/39/1020566439.db2.gz DWLHQGQLBKTSAG-KRWDZBQOSA-N 1 1 339.464 4.094 20 30 EIEDMO CCOc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C(C)C)cc1 ZINC001167255871 1020685104 /nfs/dbraw/zinc/68/51/04/1020685104.db2.gz PIAWYJXEBUNAKR-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)C2CCC(OC)CC2)ccc1OC ZINC000093415210 1020692155 /nfs/dbraw/zinc/69/21/55/1020692155.db2.gz VGIRQIUUQPGNBJ-UHFFFAOYSA-N 1 1 333.472 4.040 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn(Cc2ccccc2)c1 ZINC001167273946 1020750653 /nfs/dbraw/zinc/75/06/53/1020750653.db2.gz VWERXMZPAWEUJL-UHFFFAOYSA-N 1 1 331.463 4.162 20 30 EIEDMO Cc1ccccc1C[N@H+]1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000610273263 1020834008 /nfs/dbraw/zinc/83/40/08/1020834008.db2.gz KHXOWNIBCDZLAF-UHFFFAOYSA-N 1 1 339.870 4.232 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)s1 ZINC000176947274 1020938284 /nfs/dbraw/zinc/93/82/84/1020938284.db2.gz GXSPKVXVWBFEPO-UHFFFAOYSA-N 1 1 339.395 4.236 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)CCOCC1 ZINC000375621571 1020985206 /nfs/dbraw/zinc/98/52/06/1020985206.db2.gz URHWKXGRTVKBHC-GOSISDBHSA-N 1 1 346.902 4.305 20 30 EIEDMO CCCC[N@H+]1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000255130033 1021083627 /nfs/dbraw/zinc/08/36/27/1021083627.db2.gz OSIKVXJXHSTCRP-UHFFFAOYSA-N 1 1 339.395 4.167 20 30 EIEDMO CCCCN1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000255130033 1021083635 /nfs/dbraw/zinc/08/36/35/1021083635.db2.gz OSIKVXJXHSTCRP-UHFFFAOYSA-N 1 1 339.395 4.167 20 30 EIEDMO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)c1 ZINC000580390347 1021783541 /nfs/dbraw/zinc/78/35/41/1021783541.db2.gz LUTTXUUNSUMPKW-ZDUSSCGKSA-N 1 1 341.842 4.411 20 30 EIEDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000414146689 1021961904 /nfs/dbraw/zinc/96/19/04/1021961904.db2.gz QQTOXSPRUACXEB-UKRRQHHQSA-N 1 1 343.452 4.015 20 30 EIEDMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000414146691 1021963059 /nfs/dbraw/zinc/96/30/59/1021963059.db2.gz QQTOXSPRUACXEB-ZFWWWQNUSA-N 1 1 343.452 4.015 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414588 1021984460 /nfs/dbraw/zinc/98/44/60/1021984460.db2.gz XFBVIKITSDEIGO-SOLBZPMBSA-N 1 1 340.515 4.092 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(C#N)c1 ZINC000613450865 1022050356 /nfs/dbraw/zinc/05/03/56/1022050356.db2.gz IKLJEKKUZDSALH-CQSZACIVSA-N 1 1 336.826 4.248 20 30 EIEDMO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549026264 1022090248 /nfs/dbraw/zinc/09/02/48/1022090248.db2.gz CFDBPGKHLQLPCI-IVZBYUQCSA-N 1 1 346.902 4.336 20 30 EIEDMO C[N@H+](Cc1cccc(OCc2ccccc2F)c1)CC(C)(C)C#N ZINC000584545759 1022192471 /nfs/dbraw/zinc/19/24/71/1022192471.db2.gz PTGGNSRPRMONIC-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO C[N@@H+](Cc1cccc(OCc2ccccc2F)c1)CC(C)(C)C#N ZINC000584545759 1022192476 /nfs/dbraw/zinc/19/24/76/1022192476.db2.gz PTGGNSRPRMONIC-UHFFFAOYSA-N 1 1 326.415 4.386 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cc(-c3ccccc3)no2)C2CC2)cc1 ZINC000541318019 1022703426 /nfs/dbraw/zinc/70/34/26/1022703426.db2.gz ISCFJNDOJKDFFU-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cc(-c3ccccc3)no2)C2CC2)cc1 ZINC000541318019 1022703437 /nfs/dbraw/zinc/70/34/37/1022703437.db2.gz ISCFJNDOJKDFFU-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444916 1022823484 /nfs/dbraw/zinc/82/34/84/1022823484.db2.gz YVRNDROJHKWWTN-SOLBZPMBSA-N 1 1 339.508 4.181 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@H]1CC(C)C ZINC001167447061 1022838562 /nfs/dbraw/zinc/83/85/62/1022838562.db2.gz GZXXHDJQNSTOJL-SFHVURJKSA-N 1 1 330.472 4.236 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000378493325 1022844626 /nfs/dbraw/zinc/84/46/26/1022844626.db2.gz JRRVNKCSPIHTHX-LJQANCHMSA-N 1 1 338.357 4.474 20 30 EIEDMO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000181087535 1022887484 /nfs/dbraw/zinc/88/74/84/1022887484.db2.gz PJFKRGLCMMBTRH-HNNXBMFYSA-N 1 1 347.418 4.304 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548299 1022974437 /nfs/dbraw/zinc/97/44/37/1022974437.db2.gz WVFHCVOJZHNUJN-JKSUJKDBSA-N 1 1 346.475 4.168 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548299 1022974455 /nfs/dbraw/zinc/97/44/55/1022974455.db2.gz WVFHCVOJZHNUJN-JKSUJKDBSA-N 1 1 346.475 4.168 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000510404093 1023083411 /nfs/dbraw/zinc/08/34/11/1023083411.db2.gz MPBMQOWKRDWMQI-NRFANRHFSA-N 1 1 347.462 4.475 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000510404093 1023083429 /nfs/dbraw/zinc/08/34/29/1023083429.db2.gz MPBMQOWKRDWMQI-NRFANRHFSA-N 1 1 347.462 4.475 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167464457 1023248265 /nfs/dbraw/zinc/24/82/65/1023248265.db2.gz MFKMTNLLPMKPGP-HZEGPAAWSA-N 1 1 326.484 4.353 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167464457 1023248282 /nfs/dbraw/zinc/24/82/82/1023248282.db2.gz MFKMTNLLPMKPGP-HZEGPAAWSA-N 1 1 326.484 4.353 20 30 EIEDMO N#Cc1cc(Br)ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000584738458 1023265944 /nfs/dbraw/zinc/26/59/44/1023265944.db2.gz JLGIJLDKLSVOHT-UHFFFAOYSA-N 1 1 341.252 4.490 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000510432928 1023370234 /nfs/dbraw/zinc/37/02/34/1023370234.db2.gz ZUSJTXZKBDSDMU-OAQYLSRUSA-N 1 1 347.462 4.475 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000510432928 1023370244 /nfs/dbraw/zinc/37/02/44/1023370244.db2.gz ZUSJTXZKBDSDMU-OAQYLSRUSA-N 1 1 347.462 4.475 20 30 EIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000477136677 1023458078 /nfs/dbraw/zinc/45/80/78/1023458078.db2.gz LNTXRCPJCDSESO-KRWDZBQOSA-N 1 1 333.435 4.282 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132722 1023471711 /nfs/dbraw/zinc/47/17/11/1023471711.db2.gz MKFJUBSZVOMJQN-WIYYLYMNSA-N 1 1 338.426 4.297 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377398047 1023508988 /nfs/dbraw/zinc/50/89/88/1023508988.db2.gz LJLZLFRZQBVTFO-GOSISDBHSA-N 1 1 345.446 4.125 20 30 EIEDMO CCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000341024371 1023524617 /nfs/dbraw/zinc/52/46/17/1023524617.db2.gz ZMDJQSCVOPZCTI-GOSISDBHSA-N 1 1 332.407 4.239 20 30 EIEDMO Cn1c2ccc(Nc3snc(Cl)c3C#N)cc2[nH+]c1C1CC1 ZINC000092689526 1023606281 /nfs/dbraw/zinc/60/62/81/1023606281.db2.gz ICENXAVWVLLXMO-UHFFFAOYSA-N 1 1 329.816 4.176 20 30 EIEDMO CC(C)C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000341042067 1023638754 /nfs/dbraw/zinc/63/87/54/1023638754.db2.gz QGAKDDRVDNOILF-IBGZPJMESA-N 1 1 346.434 4.485 20 30 EIEDMO C#Cc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000728806894 1023903050 /nfs/dbraw/zinc/90/30/50/1023903050.db2.gz QSBRBCCLSIHZJU-UHFFFAOYSA-N 1 1 347.462 4.080 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001143544780 1033182078 /nfs/dbraw/zinc/18/20/78/1033182078.db2.gz JMVCBVHFHXWERQ-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001143544780 1033182086 /nfs/dbraw/zinc/18/20/86/1033182086.db2.gz JMVCBVHFHXWERQ-SECBINFHSA-N 1 1 331.231 4.109 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nccn2CC)cc1 ZINC000430881704 1024165428 /nfs/dbraw/zinc/16/54/28/1024165428.db2.gz DPAXDGCDZGUFLH-IBGZPJMESA-N 1 1 325.456 4.195 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nccn2CC)cc1 ZINC000430881704 1024165451 /nfs/dbraw/zinc/16/54/51/1024165451.db2.gz DPAXDGCDZGUFLH-IBGZPJMESA-N 1 1 325.456 4.195 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1Cl ZINC000510675859 1024214268 /nfs/dbraw/zinc/21/42/68/1024214268.db2.gz SYDUJUQJAVGPBX-MRXNPFEDSA-N 1 1 345.874 4.018 20 30 EIEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685417 1024230421 /nfs/dbraw/zinc/23/04/21/1024230421.db2.gz SSIMLWRAOZMDAB-FGZHOGPDSA-N 1 1 334.463 4.351 20 30 EIEDMO CC(C)(C)c1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000341695063 1024327524 /nfs/dbraw/zinc/32/75/24/1024327524.db2.gz BMLCUCFYXZPDTL-KRWDZBQOSA-N 1 1 325.481 4.479 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359094 1024328228 /nfs/dbraw/zinc/32/82/28/1024328228.db2.gz DIUTWDXOHGJCFQ-WSTZPKSXSA-N 1 1 339.527 4.325 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706049 1024366231 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IATPLBLYANNCCY-YFHUEUNASA-N 1 1 334.529 4.066 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000510825535 1024560831 /nfs/dbraw/zinc/56/08/31/1024560831.db2.gz IATPLBLYANNCCY-YFHUEUNASA-N 1 1 334.529 4.066 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000549576759 1024653316 /nfs/dbraw/zinc/65/33/16/1024653316.db2.gz YDUZKZNAKARGSO-JOCHJYFZSA-N 1 1 348.494 4.152 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000093844697 1024891717 /nfs/dbraw/zinc/89/17/17/1024891717.db2.gz DVPJOKYQBQFMLV-UHFFFAOYSA-N 1 1 327.291 4.199 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000093844697 1024891719 /nfs/dbraw/zinc/89/17/19/1024891719.db2.gz DVPJOKYQBQFMLV-UHFFFAOYSA-N 1 1 327.291 4.199 20 30 EIEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872171 1024897565 /nfs/dbraw/zinc/89/75/65/1024897565.db2.gz SZQOXPSAJACAEA-RBUKOAKNSA-N 1 1 346.434 4.250 20 30 EIEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872171 1024897567 /nfs/dbraw/zinc/89/75/67/1024897567.db2.gz SZQOXPSAJACAEA-RBUKOAKNSA-N 1 1 346.434 4.250 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872139 1024897720 /nfs/dbraw/zinc/89/77/20/1024897720.db2.gz HKPMGFFTYMDGQT-FGZHOGPDSA-N 1 1 342.446 4.144 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872140 1024899864 /nfs/dbraw/zinc/89/98/64/1024899864.db2.gz HKPMGFFTYMDGQT-FCHUYYIVSA-N 1 1 342.446 4.144 20 30 EIEDMO CC1CCC(OC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000341978933 1025023277 /nfs/dbraw/zinc/02/32/77/1025023277.db2.gz FDDVWNBVHOMRNF-UHFFFAOYSA-N 1 1 330.447 4.257 20 30 EIEDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000610830029 1025052028 /nfs/dbraw/zinc/05/20/28/1025052028.db2.gz YOUARGKDKYAIAQ-HZPDHXFCSA-N 1 1 345.450 4.168 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000610859123 1025072868 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N#Cc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)ccn1 ZINC000610994017 1025240978 /nfs/dbraw/zinc/24/09/78/1025240978.db2.gz RFFYABBUQRMWAQ-JOCHJYFZSA-N 1 1 325.415 4.253 20 30 EIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167503546 1025459681 /nfs/dbraw/zinc/45/96/81/1025459681.db2.gz BDTMOTARWAHMKO-UHFFFAOYSA-N 1 1 349.478 4.105 20 30 EIEDMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519202248 1025597571 /nfs/dbraw/zinc/59/75/71/1025597571.db2.gz HZCMMOUDUNWDRV-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585718052 1025800094 /nfs/dbraw/zinc/80/00/94/1025800094.db2.gz AYHMJZQPHLODRQ-LJQANCHMSA-N 1 1 333.907 4.349 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550075179 1026014645 /nfs/dbraw/zinc/01/46/45/1026014645.db2.gz QJCDMOLXTREBKO-HNNXBMFYSA-N 1 1 336.277 4.311 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccccc1Br ZINC000048819984 1026074114 /nfs/dbraw/zinc/07/41/14/1026074114.db2.gz IEMDYUFUXVWQDJ-UHFFFAOYSA-N 1 1 332.241 4.304 20 30 EIEDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000344217779 1026152918 /nfs/dbraw/zinc/15/29/18/1026152918.db2.gz KURLUDKACJWQHQ-DNVCBOLYSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000344217779 1026152926 /nfs/dbraw/zinc/15/29/26/1026152926.db2.gz KURLUDKACJWQHQ-DNVCBOLYSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C ZINC000512154748 1026164757 /nfs/dbraw/zinc/16/47/57/1026164757.db2.gz OZSGYLRAOCENLY-HOTGVXAUSA-N 1 1 345.512 4.141 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000892202896 1026237657 /nfs/dbraw/zinc/23/76/57/1026237657.db2.gz VDTLYDNRRRLOOP-CTNGQTDRSA-N 1 1 336.483 4.353 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000892202896 1026237669 /nfs/dbraw/zinc/23/76/69/1026237669.db2.gz VDTLYDNRRRLOOP-CTNGQTDRSA-N 1 1 336.483 4.353 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000892202902 1026240607 /nfs/dbraw/zinc/24/06/07/1026240607.db2.gz VDTLYDNRRRLOOP-TZIWHRDSSA-N 1 1 336.483 4.353 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000892202902 1026240618 /nfs/dbraw/zinc/24/06/18/1026240618.db2.gz VDTLYDNRRRLOOP-TZIWHRDSSA-N 1 1 336.483 4.353 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911642 1026257729 /nfs/dbraw/zinc/25/77/29/1026257729.db2.gz ZRSFGNOHNJGIBP-CYBMUJFWSA-N 1 1 332.728 4.078 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911642 1026257745 /nfs/dbraw/zinc/25/77/45/1026257745.db2.gz ZRSFGNOHNJGIBP-CYBMUJFWSA-N 1 1 332.728 4.078 20 30 EIEDMO COc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1OCCCC#N ZINC000279337664 1026382631 /nfs/dbraw/zinc/38/26/31/1026382631.db2.gz DUULOPCDSLECDZ-UHFFFAOYSA-N 1 1 348.512 4.095 20 30 EIEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198494 1026417738 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QAGZEZASGDWXTN-WMZHIEFXSA-N 1 1 345.490 4.217 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426995153 1026664568 /nfs/dbraw/zinc/66/45/68/1026664568.db2.gz NBSZAXMWNRSBHU-QGZVFWFLSA-N 1 1 325.839 4.190 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426995152 1026665311 /nfs/dbraw/zinc/66/53/11/1026665311.db2.gz NBSZAXMWNRSBHU-KRWDZBQOSA-N 1 1 325.839 4.190 20 30 EIEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002190 1026674556 /nfs/dbraw/zinc/67/45/56/1026674556.db2.gz NJPXRSPYLTWJRB-YPMHNXCESA-N 1 1 333.501 4.074 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004849 1026676179 /nfs/dbraw/zinc/67/61/79/1026676179.db2.gz LWIOIOYABFWIQJ-QKLQHJQFSA-N 1 1 330.903 4.029 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000507187551 1026682458 /nfs/dbraw/zinc/68/24/58/1026682458.db2.gz CKEPCCHKFBWMOH-UHFFFAOYSA-N 1 1 326.827 4.408 20 30 EIEDMO CC(C)[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173091 1026683957 /nfs/dbraw/zinc/68/39/57/1026683957.db2.gz KKDKCRCMLCELJD-GOSISDBHSA-N 1 1 341.480 4.277 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173091 1026683963 /nfs/dbraw/zinc/68/39/63/1026683963.db2.gz KKDKCRCMLCELJD-GOSISDBHSA-N 1 1 341.480 4.277 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000277655472 1026727925 /nfs/dbraw/zinc/72/79/25/1026727925.db2.gz IORDIUHESASCAA-RTBURBONSA-N 1 1 332.463 4.434 20 30 EIEDMO CC(C)Oc1cc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)ccn1 ZINC000342753840 1026954671 /nfs/dbraw/zinc/95/46/71/1026954671.db2.gz QQPVDWSTENQLGW-UHFFFAOYSA-N 1 1 335.451 4.099 20 30 EIEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075589427 1027051986 /nfs/dbraw/zinc/05/19/86/1027051986.db2.gz PZCKQFAIZSAMLU-UHFFFAOYSA-N 1 1 332.407 4.020 20 30 EIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075589427 1027051993 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4.118 20 30 EIEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447684728 1030272671 /nfs/dbraw/zinc/27/26/71/1030272671.db2.gz DFNWEGLXYFAVRG-UHFFFAOYSA-N 1 1 347.466 4.049 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186696425 1030303474 /nfs/dbraw/zinc/30/34/74/1030303474.db2.gz QFAUCWZWAVFLAG-JOCHJYFZSA-N 1 1 332.447 4.119 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685604403 1030559586 /nfs/dbraw/zinc/55/95/86/1030559586.db2.gz LRJIPLAZRQZAMY-ROUUACIJSA-N 1 1 349.396 4.090 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685604403 1030559590 /nfs/dbraw/zinc/55/95/90/1030559590.db2.gz LRJIPLAZRQZAMY-ROUUACIJSA-N 1 1 349.396 4.090 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451547620 1030568358 /nfs/dbraw/zinc/56/83/58/1030568358.db2.gz LFZGOKGGAQBVMS-IBGZPJMESA-N 1 1 335.407 4.040 20 30 EIEDMO N#CCCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000399444546 1030743464 /nfs/dbraw/zinc/74/34/64/1030743464.db2.gz GJZLGRFJRNEHCV-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3)c2C1 ZINC000102733965 1030751985 /nfs/dbraw/zinc/75/19/85/1030751985.db2.gz DUVYPZKYDXLYFU-UHFFFAOYSA-N 1 1 333.435 4.172 20 30 EIEDMO N#Cc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770612 /nfs/dbraw/zinc/77/06/12/1030770612.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 1 1 345.490 4.046 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1C#N ZINC000191223267 1030802463 /nfs/dbraw/zinc/80/24/63/1030802463.db2.gz UARMAOPGDKXDEY-UHFFFAOYSA-N 1 1 333.357 4.080 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Br)o2)C2CC2)cc1 ZINC000191223986 1030803638 /nfs/dbraw/zinc/80/36/38/1030803638.db2.gz WNZHYLUQTANWCW-UHFFFAOYSA-N 1 1 331.213 4.078 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Br)o2)C2CC2)cc1 ZINC000191223986 1030803643 /nfs/dbraw/zinc/80/36/43/1030803643.db2.gz WNZHYLUQTANWCW-UHFFFAOYSA-N 1 1 331.213 4.078 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000103469733 1030891987 /nfs/dbraw/zinc/89/19/87/1030891987.db2.gz VFQNMDRYRWLTQT-OAQYLSRUSA-N 1 1 345.446 4.039 20 30 EIEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054429012 1030906014 /nfs/dbraw/zinc/90/60/14/1030906014.db2.gz QKSLAGAXPXOFAX-GFCCVEGCSA-N 1 1 347.871 4.295 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2sccc2C#N)cc1 ZINC000052031703 1030941294 /nfs/dbraw/zinc/94/12/94/1030941294.db2.gz MAPZNKRHUNWGSL-CQSZACIVSA-N 1 1 339.464 4.246 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612163207 1031072283 /nfs/dbraw/zinc/07/22/83/1031072283.db2.gz PLDBPUNQMDBLPM-KRWDZBQOSA-N 1 1 340.389 4.490 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000612163653 1031080175 /nfs/dbraw/zinc/08/01/75/1031080175.db2.gz VQZFJSXAQJXCCI-RTZWDOBSSA-N 1 1 333.273 4.478 20 30 EIEDMO Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c(C)c1 ZINC000532493521 1031233551 /nfs/dbraw/zinc/23/35/51/1031233551.db2.gz CKUPWAWWVYLMAY-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CCC[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000375822029 1031301613 /nfs/dbraw/zinc/30/16/13/1031301613.db2.gz FCTSNFDRSQQKKD-FQEVSTJZSA-N 1 1 337.467 4.105 20 30 EIEDMO N#Cc1ccccc1-c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581802 1031313385 /nfs/dbraw/zinc/31/33/85/1031313385.db2.gz NBXQBAXARGMQHK-HXUWFJFHSA-N 1 1 345.490 4.143 20 30 EIEDMO C#CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 ZINC001168235631 1031381569 /nfs/dbraw/zinc/38/15/69/1031381569.db2.gz WGMRQFROULULAB-UHFFFAOYSA-N 1 1 328.459 4.232 20 30 EIEDMO Cc1cncc(C[NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000364794621 1031409236 /nfs/dbraw/zinc/40/92/36/1031409236.db2.gz SMNFMMPRIFKRQS-CQSZACIVSA-N 1 1 334.448 4.236 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190858 1031510917 /nfs/dbraw/zinc/51/09/17/1031510917.db2.gz WTQQJWUZFGTRRF-IYVCXYCASA-N 1 1 339.527 4.205 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000124225632 1031515378 /nfs/dbraw/zinc/51/53/78/1031515378.db2.gz BOKMYOZJDUHMFH-IIBYNOLFSA-N 1 1 336.435 4.323 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cc(C)cc1C ZINC000065959754 1031622076 /nfs/dbraw/zinc/62/20/76/1031622076.db2.gz WZOSLEGPXOATSN-UHFFFAOYSA-N 1 1 336.479 4.281 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cc(C)cc1C ZINC000065959754 1031622090 /nfs/dbraw/zinc/62/20/90/1031622090.db2.gz WZOSLEGPXOATSN-UHFFFAOYSA-N 1 1 336.479 4.281 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc(OC)c1O ZINC000449456193 1031752000 /nfs/dbraw/zinc/75/20/00/1031752000.db2.gz CHPNDTXHIUBQCA-IUODEOHRSA-N 1 1 343.389 4.292 20 30 EIEDMO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000459363273 1031941262 /nfs/dbraw/zinc/94/12/62/1031941262.db2.gz URFJRRQQGLOEJM-MOPGFXCFSA-N 1 1 336.435 4.063 20 30 EIEDMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000459363273 1031941284 /nfs/dbraw/zinc/94/12/84/1031941284.db2.gz URFJRRQQGLOEJM-MOPGFXCFSA-N 1 1 336.435 4.063 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)cc1F ZINC000449735390 1031968021 /nfs/dbraw/zinc/96/80/21/1031968021.db2.gz QODARVLXWVCOBF-UHFFFAOYSA-N 1 1 343.833 4.241 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)cc1F ZINC000449734409 1031969189 /nfs/dbraw/zinc/96/91/89/1031969189.db2.gz BHYDQYBDNYKQCT-UHFFFAOYSA-N 1 1 344.817 4.429 20 30 EIEDMO Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)[nH+]c1 ZINC000532059451 1032013341 /nfs/dbraw/zinc/01/33/41/1032013341.db2.gz WBFXJVJOCJROMB-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO CCC[N@H+](C)[C@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560316 1033378099 /nfs/dbraw/zinc/37/80/99/1033378099.db2.gz CVUYCKYEPSGYBL-GOSISDBHSA-N 1 1 347.915 4.446 20 30 EIEDMO CCC[N@@H+](C)[C@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560316 1033378112 /nfs/dbraw/zinc/37/81/12/1033378112.db2.gz CVUYCKYEPSGYBL-GOSISDBHSA-N 1 1 347.915 4.446 20 30 EIEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159987 1033528588 /nfs/dbraw/zinc/52/85/88/1033528588.db2.gz FSBUSSYMOVYHNA-UHFFFAOYSA-N 1 1 326.415 4.138 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000614160588 1033532292 /nfs/dbraw/zinc/53/22/92/1033532292.db2.gz JBLVNHTZSHWPNA-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512631169 1033552729 /nfs/dbraw/zinc/55/27/29/1033552729.db2.gz PROFSWKQYFMSGI-QTJFZDIUSA-N 1 1 342.389 4.407 20 30 EIEDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169007 1033556404 /nfs/dbraw/zinc/55/64/04/1033556404.db2.gz NGNCUYLBCKYIHI-UHFFFAOYSA-N 1 1 339.508 4.455 20 30 EIEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169007 1033556411 /nfs/dbraw/zinc/55/64/11/1033556411.db2.gz NGNCUYLBCKYIHI-UHFFFAOYSA-N 1 1 339.508 4.455 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174558 1033571552 /nfs/dbraw/zinc/57/15/52/1033571552.db2.gz ZLUSCTALUIVBQG-RTBURBONSA-N 1 1 326.484 4.267 20 30 EIEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176277 1033583820 /nfs/dbraw/zinc/58/38/20/1033583820.db2.gz SBHIKRVXGBQXRU-NRFANRHFSA-N 1 1 336.479 4.261 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000614182259 1033627241 /nfs/dbraw/zinc/62/72/41/1033627241.db2.gz JTQBKTSRPWXRAP-IBGZPJMESA-N 1 1 334.463 4.389 20 30 EIEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000614183660 1033634323 /nfs/dbraw/zinc/63/43/23/1033634323.db2.gz AICOXOKIVYOCCP-GOSISDBHSA-N 1 1 326.440 4.120 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000614185862 1033646481 /nfs/dbraw/zinc/64/64/81/1033646481.db2.gz BKFAXNCKIZDRPM-JOCHJYFZSA-N 1 1 332.447 4.119 20 30 EIEDMO CCc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000512666930 1033666214 /nfs/dbraw/zinc/66/62/14/1033666214.db2.gz MUJYWIZUCHQZIL-QVKFZJNVSA-N 1 1 339.458 4.213 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000429851358 1033873797 /nfs/dbraw/zinc/87/37/97/1033873797.db2.gz QDCTUHSMZPPTIP-KRWDZBQOSA-N 1 1 328.500 4.137 20 30 EIEDMO Cc1cnc(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)s1 ZINC000433167989 1033982290 /nfs/dbraw/zinc/98/22/90/1033982290.db2.gz KXUDRYAACROSCO-UHFFFAOYSA-N 1 1 330.884 4.336 20 30 EIEDMO CC(C)([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1 ZINC000047258096 1034046100 /nfs/dbraw/zinc/04/61/00/1034046100.db2.gz KTRREHAOZJMFTL-UHFFFAOYSA-N 1 1 329.241 4.346 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419331636 1034322410 /nfs/dbraw/zinc/32/24/10/1034322410.db2.gz RTZBIHRLDZSUFB-CABCVRRESA-N 1 1 333.501 4.095 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2C)C2CC2)c1 ZINC000614395943 1034546636 /nfs/dbraw/zinc/54/66/36/1034546636.db2.gz BKGXDIZUGRIZTL-UHFFFAOYSA-N 1 1 336.435 4.049 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000398147904 1034551760 /nfs/dbraw/zinc/55/17/60/1034551760.db2.gz OOXSMCYNSVHMQF-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000398147904 1034551764 /nfs/dbraw/zinc/55/17/64/1034551764.db2.gz OOXSMCYNSVHMQF-NPPFBWRTSA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267275 1034768608 /nfs/dbraw/zinc/76/86/08/1034768608.db2.gz OYVFNTNEROJFIB-MGPUTAFESA-N 1 1 336.435 4.470 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000729267386 1034769394 /nfs/dbraw/zinc/76/93/94/1034769394.db2.gz UBAQPBBAIVWQLE-KRWDZBQOSA-N 1 1 347.418 4.110 20 30 EIEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000513405815 1034919496 /nfs/dbraw/zinc/91/94/96/1034919496.db2.gz JFQSCFDDNCKWGO-QFBILLFUSA-N 1 1 336.435 4.171 20 30 EIEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCC(C)(C)C#N)C3)cs1 ZINC000345934131 1035334960 /nfs/dbraw/zinc/33/49/60/1035334960.db2.gz BGADCDIMMFKVIO-UHFFFAOYSA-N 1 1 331.510 4.478 20 30 EIEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090538 1035370699 /nfs/dbraw/zinc/37/06/99/1035370699.db2.gz SNNPVHWIDOMLJM-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090538 1035370703 /nfs/dbraw/zinc/37/07/03/1035370703.db2.gz SNNPVHWIDOMLJM-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090540 1035370946 /nfs/dbraw/zinc/37/09/46/1035370946.db2.gz SNNPVHWIDOMLJM-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000501090540 1035370950 /nfs/dbraw/zinc/37/09/50/1035370950.db2.gz SNNPVHWIDOMLJM-UTKZUKDTSA-N 1 1 334.463 4.450 20 30 EIEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000501332979 1035425855 /nfs/dbraw/zinc/42/58/55/1035425855.db2.gz NPKHCBKYRSDXFW-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000513717870 1035487383 /nfs/dbraw/zinc/48/73/83/1035487383.db2.gz SJFJTVQEQYBWBT-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000513717870 1035487385 /nfs/dbraw/zinc/48/73/85/1035487385.db2.gz SJFJTVQEQYBWBT-UHFFFAOYSA-N 1 1 328.378 4.389 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)c(F)c1 ZINC000595070502 1035553295 /nfs/dbraw/zinc/55/32/95/1035553295.db2.gz XDVWCHJKZBVJRB-GFCCVEGCSA-N 1 1 328.362 4.228 20 30 EIEDMO N#CC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000595091236 1035597884 /nfs/dbraw/zinc/59/78/84/1035597884.db2.gz OJTSLBRCHFYFGU-WKCHPHFGSA-N 1 1 337.511 4.246 20 30 EIEDMO Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3C#N)CC2)c(C)c1 ZINC000026639755 1035663625 /nfs/dbraw/zinc/66/36/25/1035663625.db2.gz DHRLNSBOFDMQMO-UHFFFAOYSA-N 1 1 332.447 4.270 20 30 EIEDMO C[C@H](N[C@H](C#N)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430694 1035676493 /nfs/dbraw/zinc/67/64/93/1035676493.db2.gz KOHBAILXDNLRPW-URLQWDBASA-N 1 1 331.891 4.147 20 30 EIEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000595518537 1035692420 /nfs/dbraw/zinc/69/24/20/1035692420.db2.gz BHDNVBOJUIQXHJ-INIZCTEOSA-N 1 1 345.368 4.270 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614397 1035749311 /nfs/dbraw/zinc/74/93/11/1035749311.db2.gz HJMZHALZFUXEJE-RCCFBDPRSA-N 1 1 349.478 4.031 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593113039 1035774684 /nfs/dbraw/zinc/77/46/84/1035774684.db2.gz WAZGEFUHKJHRMI-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593121620 1035789704 /nfs/dbraw/zinc/78/97/04/1035789704.db2.gz BMGRYSCQPGIYHD-ACRUOGEOSA-N 1 1 336.410 4.192 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593121620 1035789721 /nfs/dbraw/zinc/78/97/21/1035789721.db2.gz BMGRYSCQPGIYHD-ACRUOGEOSA-N 1 1 336.410 4.192 20 30 EIEDMO CCC(CC)CCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595829828 1035801569 /nfs/dbraw/zinc/80/15/69/1035801569.db2.gz IMBWSYACWBPBRM-UHFFFAOYSA-N 1 1 326.444 4.256 20 30 EIEDMO C=CCSc1ccccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000485453024 1035882453 /nfs/dbraw/zinc/88/24/53/1035882453.db2.gz IOKVPSAYQRLVBX-KRWDZBQOSA-N 1 1 346.540 4.349 20 30 EIEDMO N#CC1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)s2)CCC1 ZINC000596636016 1035952082 /nfs/dbraw/zinc/95/20/82/1035952082.db2.gz IILMSOKQOBQQLW-UHFFFAOYSA-N 1 1 338.476 4.193 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000618807334 1035955994 /nfs/dbraw/zinc/95/59/94/1035955994.db2.gz UCBAIICOODTLTJ-ZANVPECISA-N 1 1 337.370 4.372 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000618807325 1035957044 /nfs/dbraw/zinc/95/70/44/1035957044.db2.gz UCBAIICOODTLTJ-NOZJJQNGSA-N 1 1 337.370 4.372 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC000597083823 1036098086 /nfs/dbraw/zinc/09/80/86/1036098086.db2.gz UULFHVKTOPLJPS-UHFFFAOYSA-N 1 1 330.378 4.183 20 30 EIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1OC ZINC000045004578 1036131376 /nfs/dbraw/zinc/13/13/76/1036131376.db2.gz XTMNFCJEDYVIRW-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1OC ZINC000045004578 1036131408 /nfs/dbraw/zinc/13/14/08/1036131408.db2.gz XTMNFCJEDYVIRW-GOSISDBHSA-N 1 1 340.398 4.052 20 30 EIEDMO N#CCCn1cc(C[N@@H+](CCC2CC2)CC2CC2)c(-c2ccccc2)n1 ZINC000597233736 1036165278 /nfs/dbraw/zinc/16/52/78/1036165278.db2.gz OJWIDRXXPCYYFU-UHFFFAOYSA-N 1 1 348.494 4.476 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000164520252 1036168324 /nfs/dbraw/zinc/16/83/24/1036168324.db2.gz LZLGKYGUPAPDCQ-HXUWFJFHSA-N 1 1 338.451 4.170 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000502452961 1036222111 /nfs/dbraw/zinc/22/21/11/1036222111.db2.gz BHXCXXJXHBJGFW-SFHVURJKSA-N 1 1 326.484 4.070 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000502452961 1036222136 /nfs/dbraw/zinc/22/21/36/1036222136.db2.gz BHXCXXJXHBJGFW-SFHVURJKSA-N 1 1 326.484 4.070 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000502452960 1036224687 /nfs/dbraw/zinc/22/46/87/1036224687.db2.gz BHXCXXJXHBJGFW-GOSISDBHSA-N 1 1 326.484 4.070 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000502452960 1036224726 /nfs/dbraw/zinc/22/47/26/1036224726.db2.gz BHXCXXJXHBJGFW-GOSISDBHSA-N 1 1 326.484 4.070 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471346 1036230838 /nfs/dbraw/zinc/23/08/38/1036230838.db2.gz YQOFOWKOOQEHQJ-INIZCTEOSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471346 1036230858 /nfs/dbraw/zinc/23/08/58/1036230858.db2.gz YQOFOWKOOQEHQJ-INIZCTEOSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CCCCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502455480 1036237413 /nfs/dbraw/zinc/23/74/13/1036237413.db2.gz WRJODCXJMNNYOM-UHFFFAOYSA-N 1 1 346.474 4.257 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000602450302 1036450398 /nfs/dbraw/zinc/45/03/98/1036450398.db2.gz WVOXACMPFMIGSS-OAHLLOKOSA-N 1 1 328.435 4.020 20 30 EIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000486118109 1036483890 /nfs/dbraw/zinc/48/38/90/1036483890.db2.gz RXOTUYKEPXMUTC-HXUWFJFHSA-N 1 1 333.435 4.032 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671835 1036554363 /nfs/dbraw/zinc/55/43/63/1036554363.db2.gz KHGSLSBIQCLDQK-CKEIUWERSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602884077 1036660937 /nfs/dbraw/zinc/66/09/37/1036660937.db2.gz BJDOVPUVTQYXAU-DNVCBOLYSA-N 1 1 328.419 4.052 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602884083 1036661396 /nfs/dbraw/zinc/66/13/96/1036661396.db2.gz BJDOVPUVTQYXAU-KXBFYZLASA-N 1 1 328.419 4.052 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C4CCC4)CC3)o2)c1 ZINC000603000130 1036698944 /nfs/dbraw/zinc/69/89/44/1036698944.db2.gz VSOSWJPUIRXYCH-KRWDZBQOSA-N 1 1 336.439 4.010 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000598585093 1036706032 /nfs/dbraw/zinc/70/60/32/1036706032.db2.gz RKSREIPVFYMQOD-DYVFJYSZSA-N 1 1 346.521 4.058 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000598586264 1036706479 /nfs/dbraw/zinc/70/64/79/1036706479.db2.gz RMYXSSCKEASSIT-CQSZACIVSA-N 1 1 341.282 4.259 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585520 1036706782 /nfs/dbraw/zinc/70/67/82/1036706782.db2.gz FQIOLWGGLTXOPF-ZDUSSCGKSA-N 1 1 329.271 4.116 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000598587296 1036709199 /nfs/dbraw/zinc/70/91/99/1036709199.db2.gz OLOMISAGLALAJH-ZDUSSCGKSA-N 1 1 341.282 4.259 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000598587296 1036709216 /nfs/dbraw/zinc/70/92/16/1036709216.db2.gz OLOMISAGLALAJH-ZDUSSCGKSA-N 1 1 341.282 4.259 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590795 1036710862 /nfs/dbraw/zinc/71/08/62/1036710862.db2.gz PJRAJLGOWDWEIW-HXUWFJFHSA-N 1 1 340.442 4.129 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000598596838 1036713448 /nfs/dbraw/zinc/71/34/48/1036713448.db2.gz MKCUIEDUQGECJG-UNMCSNQZSA-N 1 1 348.490 4.129 20 30 EIEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC000589497004 1036802651 /nfs/dbraw/zinc/80/26/51/1036802651.db2.gz BKSBLAHPLVBNML-ZDUSSCGKSA-N 1 1 340.389 4.093 20 30 EIEDMO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)ncc1Br ZINC000598969726 1036829737 /nfs/dbraw/zinc/82/97/37/1036829737.db2.gz HDVRATJSRDCHFR-KRWDZBQOSA-N 1 1 344.256 4.287 20 30 EIEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000603443654 1036835086 /nfs/dbraw/zinc/83/50/86/1036835086.db2.gz XAHNBWFSLJSNPK-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794624 1036857384 /nfs/dbraw/zinc/85/73/84/1036857384.db2.gz DMQMABPUJDBPRO-WBMJQRKESA-N 1 1 333.501 4.076 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000589738936 1036872868 /nfs/dbraw/zinc/87/28/68/1036872868.db2.gz FYZFVYGVHYZFMD-IRXDYDNUSA-N 1 1 345.487 4.026 20 30 EIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000589821430 1036882558 /nfs/dbraw/zinc/88/25/58/1036882558.db2.gz VDPPOEWLYLKMBL-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000165756350 1036940133 /nfs/dbraw/zinc/94/01/33/1036940133.db2.gz XIEWJSJSVBFDMJ-HXUWFJFHSA-N 1 1 333.435 4.032 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000599330378 1036954156 /nfs/dbraw/zinc/95/41/56/1036954156.db2.gz LMTUYBURZDSHBP-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000599330378 1036954174 /nfs/dbraw/zinc/95/41/74/1036954174.db2.gz LMTUYBURZDSHBP-FQEVSTJZSA-N 1 1 330.435 4.091 20 30 EIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000174565990 1036995065 /nfs/dbraw/zinc/99/50/65/1036995065.db2.gz JVCBKMFDMNNGHH-OAHLLOKOSA-N 1 1 342.414 4.368 20 30 EIEDMO CCCCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000603845766 1037038890 /nfs/dbraw/zinc/03/88/90/1037038890.db2.gz QKWOUZKNNUUWCU-UHFFFAOYSA-N 1 1 343.515 4.451 20 30 EIEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000603925860 1037098289 /nfs/dbraw/zinc/09/82/89/1037098289.db2.gz CAVSNHTXWGVYLU-UHFFFAOYSA-N 1 1 333.435 4.232 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678454 1037129789 /nfs/dbraw/zinc/12/97/89/1037129789.db2.gz RBZOOYPDOIDKCM-UHFFFAOYSA-N 1 1 329.447 4.112 20 30 EIEDMO Cc1ccc(CNc2cccc(Cl)c2C#N)c(N2CCCC2)[nH+]1 ZINC000590696451 1037145869 /nfs/dbraw/zinc/14/58/69/1037145869.db2.gz BKHNBXFOSWBSCE-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000590750792 1037153550 /nfs/dbraw/zinc/15/35/50/1037153550.db2.gz ZIXULNSQSASVHT-VAMGGRTRSA-N 1 1 326.484 4.003 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000487591070 1037170315 /nfs/dbraw/zinc/17/03/15/1037170315.db2.gz AKSYEMULNZLVTD-VXKWHMMOSA-N 1 1 348.490 4.127 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051102 1037271996 /nfs/dbraw/zinc/27/19/96/1037271996.db2.gz CGJHPABPODCZCG-OAQYLSRUSA-N 1 1 332.447 4.220 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1C(C)C ZINC000057950502 1037320564 /nfs/dbraw/zinc/32/05/64/1037320564.db2.gz UAIPRVYZXSZISD-KRWDZBQOSA-N 1 1 345.508 4.299 20 30 EIEDMO Cc1ccc2ncc(C#N)c(N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC000488052810 1037347894 /nfs/dbraw/zinc/34/78/94/1037347894.db2.gz CHRFXQVAGFWTFH-SCTDSRPQSA-N 1 1 348.494 4.257 20 30 EIEDMO N#Cc1ccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000057970588 1037351803 /nfs/dbraw/zinc/35/18/03/1037351803.db2.gz RRUNAXJJGBFKGR-UHFFFAOYSA-N 1 1 333.479 4.224 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000488182090 1037399434 /nfs/dbraw/zinc/39/94/34/1037399434.db2.gz LHHMPSPNYMOFEZ-QGZVFWFLSA-N 1 1 335.451 4.106 20 30 EIEDMO CC[N@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000604533501 1037429279 /nfs/dbraw/zinc/42/92/79/1037429279.db2.gz WNDXKTKUSWKSKE-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000604533501 1037429286 /nfs/dbraw/zinc/42/92/86/1037429286.db2.gz WNDXKTKUSWKSKE-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO Cc1cc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293721 1037489784 /nfs/dbraw/zinc/48/97/84/1037489784.db2.gz YQFZEXUKQVOMOZ-OALUTQOASA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293721 1037489787 /nfs/dbraw/zinc/48/97/87/1037489787.db2.gz YQFZEXUKQVOMOZ-OALUTQOASA-N 1 1 347.506 4.113 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294675 1037490781 /nfs/dbraw/zinc/49/07/81/1037490781.db2.gz HNIKBSLYKJBCLW-LEWJYISDSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1C#N ZINC000488440905 1037583520 /nfs/dbraw/zinc/58/35/20/1037583520.db2.gz BWVJOXOWZIDGCP-IBGZPJMESA-N 1 1 336.410 4.101 20 30 EIEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000592075304 1037734149 /nfs/dbraw/zinc/73/41/49/1037734149.db2.gz VDVYRDOIPJLILN-UHFFFAOYSA-N 1 1 345.368 4.352 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139790 1037740295 /nfs/dbraw/zinc/74/02/95/1037740295.db2.gz XTEDJSZWNPZTEW-HXUWFJFHSA-N 1 1 328.500 4.370 20 30 EIEDMO CC(C)[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(C#N)cc1 ZINC000058397154 1037764529 /nfs/dbraw/zinc/76/45/29/1037764529.db2.gz KYGARGDJHASKIP-UHFFFAOYSA-N 1 1 338.436 4.080 20 30 EIEDMO CC(C)[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(C#N)cc1 ZINC000058397154 1037764544 /nfs/dbraw/zinc/76/45/44/1037764544.db2.gz KYGARGDJHASKIP-UHFFFAOYSA-N 1 1 338.436 4.080 20 30 EIEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000488809470 1037766216 /nfs/dbraw/zinc/76/62/16/1037766216.db2.gz NONUQEZLJRDRMA-QGZVFWFLSA-N 1 1 335.234 4.342 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CC4(CC=CC4)[C@@H]3c3ccccc3)n2c1 ZINC000592529859 1037824873 /nfs/dbraw/zinc/82/48/73/1037824873.db2.gz UKNRUPBMPPWDPS-NRFANRHFSA-N 1 1 340.430 4.099 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CC4(CC=CC4)[C@@H]3c3ccccc3)n2c1 ZINC000592529859 1037824880 /nfs/dbraw/zinc/82/48/80/1037824880.db2.gz UKNRUPBMPPWDPS-NRFANRHFSA-N 1 1 340.430 4.099 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccsc2)no1 ZINC000062364424 1037878200 /nfs/dbraw/zinc/87/82/00/1037878200.db2.gz AWCIEZRGYMAAEU-UHFFFAOYSA-N 1 1 325.437 4.029 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccsc2)no1 ZINC000062364424 1037878201 /nfs/dbraw/zinc/87/82/01/1037878201.db2.gz AWCIEZRGYMAAEU-UHFFFAOYSA-N 1 1 325.437 4.029 20 30 EIEDMO C=CCOc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000503789681 1037912555 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CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224979 1038194203 /nfs/dbraw/zinc/19/42/03/1038194203.db2.gz ATNUTTPVBRDBBG-OAHLLOKOSA-N 1 1 348.874 4.155 20 30 EIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224979 1038194220 /nfs/dbraw/zinc/19/42/20/1038194220.db2.gz ATNUTTPVBRDBBG-OAHLLOKOSA-N 1 1 348.874 4.155 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCCCC1 ZINC000173274085 1038246910 /nfs/dbraw/zinc/24/69/10/1038246910.db2.gz XDSUDFIIRBDLJI-UHFFFAOYSA-N 1 1 345.512 4.285 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000489867202 1038253437 /nfs/dbraw/zinc/25/34/37/1038253437.db2.gz VVYVMJYOLITPPE-PXNSSMCTSA-N 1 1 326.390 4.279 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000489867202 1038253444 /nfs/dbraw/zinc/25/34/44/1038253444.db2.gz VVYVMJYOLITPPE-PXNSSMCTSA-N 1 1 326.390 4.279 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519006 1038296801 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CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000063493747 1038394531 /nfs/dbraw/zinc/39/45/31/1038394531.db2.gz REXLIAJGCGMNLW-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO CCN(Cc1cccc(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510854 1038410406 /nfs/dbraw/zinc/41/04/06/1038410406.db2.gz MDINRBMOCMKHIF-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063510854 1038410417 /nfs/dbraw/zinc/41/04/17/1038410417.db2.gz MDINRBMOCMKHIF-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063510854 1038410428 /nfs/dbraw/zinc/41/04/28/1038410428.db2.gz MDINRBMOCMKHIF-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000424191664 1038731884 /nfs/dbraw/zinc/73/18/84/1038731884.db2.gz HRAUUSDDKDRAIO-GXTWGEPZSA-N 1 1 347.871 4.157 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](CCC(C)C)c2ccc(Cl)cc2)nn1 ZINC000424292556 1038769264 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C=CCCc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000505038901 1038918430 /nfs/dbraw/zinc/91/84/30/1038918430.db2.gz LIVNMDVBMJSPIW-GOSISDBHSA-N 1 1 343.515 4.439 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000539297540 1038946246 /nfs/dbraw/zinc/94/62/46/1038946246.db2.gz HAXHCUCZCXAVSM-ZDUSSCGKSA-N 1 1 347.817 4.199 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(OC(F)F)c1 ZINC000539317052 1038957881 /nfs/dbraw/zinc/95/78/81/1038957881.db2.gz PJTBOUAQUYFCOE-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424689659 1039013696 /nfs/dbraw/zinc/01/36/96/1039013696.db2.gz XGKXTSUHQTUYCX-MJGOQNOKSA-N 1 1 328.500 4.100 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424710349 1039032222 /nfs/dbraw/zinc/03/22/22/1039032222.db2.gz PXFBRGMFJKIBKZ-QFIPXVFZSA-N 1 1 340.511 4.103 20 30 EIEDMO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000555334205 1039065544 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ZINC000924984972 1039881451 /nfs/dbraw/zinc/88/14/51/1039881451.db2.gz ZIYLILKJWKZEOJ-FQEVSTJZSA-N 1 1 341.886 4.064 20 30 EIEDMO Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000434936568 1039947760 /nfs/dbraw/zinc/94/77/60/1039947760.db2.gz GALUEFUWVRBZEF-UHFFFAOYSA-N 1 1 349.478 4.354 20 30 EIEDMO COc1cc(C[N@@H+]2CC=C(C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000535211500 1040071925 /nfs/dbraw/zinc/07/19/25/1040071925.db2.gz LLQQPOKIGGDSLP-UHFFFAOYSA-N 1 1 348.446 4.298 20 30 EIEDMO C=C[C@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000535333524 1040194943 /nfs/dbraw/zinc/19/49/43/1040194943.db2.gz SOPLNEIVROWIJB-GOSISDBHSA-N 1 1 328.500 4.117 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCCC1 ZINC000551401497 1040269844 /nfs/dbraw/zinc/26/98/44/1040269844.db2.gz JAVHPHBUCHYGQL-UHFFFAOYSA-N 1 1 347.890 4.160 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C#N)cs1 ZINC000482515864 1040312118 /nfs/dbraw/zinc/31/21/18/1040312118.db2.gz ZBCSRYZMDFGGOD-OIISXLGYSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000482515864 1040312129 /nfs/dbraw/zinc/31/21/29/1040312129.db2.gz ZBCSRYZMDFGGOD-OIISXLGYSA-N 1 1 346.496 4.095 20 30 EIEDMO Cc1c(Br)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000535582472 1040384098 /nfs/dbraw/zinc/38/40/98/1040384098.db2.gz HXEDDXRZWZHVIF-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO C=CCN1CCC([NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000482651604 1040413449 /nfs/dbraw/zinc/41/34/49/1040413449.db2.gz NQVBPJWTYVCWCU-LLVKDONJSA-N 1 1 331.262 4.434 20 30 EIEDMO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)c1cccc(C#N)c1 ZINC000462340798 1040493894 /nfs/dbraw/zinc/49/38/94/1040493894.db2.gz MOSRKYQSXNEMEA-ZDUSSCGKSA-N 1 1 341.842 4.015 20 30 EIEDMO C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000462412541 1040575876 /nfs/dbraw/zinc/57/58/76/1040575876.db2.gz YIQXXKGQWSKEAN-ZDUSSCGKSA-N 1 1 341.842 4.015 20 30 EIEDMO CS[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000553889391 1040605133 /nfs/dbraw/zinc/60/51/33/1040605133.db2.gz SFSZTBTYDVHVBP-HNNXBMFYSA-N 1 1 339.302 4.038 20 30 EIEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000553889391 1040605142 /nfs/dbraw/zinc/60/51/42/1040605142.db2.gz SFSZTBTYDVHVBP-HNNXBMFYSA-N 1 1 339.302 4.038 20 30 EIEDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609053 1040606838 /nfs/dbraw/zinc/60/68/38/1040606838.db2.gz BZIWNHQHEDFWML-FTRWYGJKSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609053 1040606844 /nfs/dbraw/zinc/60/68/44/1040606844.db2.gz BZIWNHQHEDFWML-FTRWYGJKSA-N 1 1 337.442 4.011 20 30 EIEDMO C=CC[C@H](C)[C@@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000539732758 1040746174 /nfs/dbraw/zinc/74/61/74/1040746174.db2.gz DRYOAFMMGKXYAG-FUHWJXTLSA-N 1 1 343.515 4.432 20 30 EIEDMO Cn1cc(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1C#N ZINC000483278704 1040805288 /nfs/dbraw/zinc/80/52/88/1040805288.db2.gz DAYBOPIIVBAXCT-UHFFFAOYSA-N 1 1 327.859 4.005 20 30 EIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509329 1040815890 /nfs/dbraw/zinc/81/58/90/1040815890.db2.gz VYWJSVBFLODUHK-LJQANCHMSA-N 1 1 333.410 4.157 20 30 EIEDMO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(F)c(C#N)c1 ZINC000160863730 1040819690 /nfs/dbraw/zinc/81/96/90/1040819690.db2.gz AADOAAJTTQWGNH-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(F)c(C#N)c1 ZINC000160863730 1040819704 /nfs/dbraw/zinc/81/97/04/1040819704.db2.gz AADOAAJTTQWGNH-UHFFFAOYSA-N 1 1 339.233 4.153 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000539850583 1040840313 /nfs/dbraw/zinc/84/03/13/1040840313.db2.gz XQGDTCANGMSBJM-KXBFYZLASA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000539850583 1040840314 /nfs/dbraw/zinc/84/03/14/1040840314.db2.gz XQGDTCANGMSBJM-KXBFYZLASA-N 1 1 329.465 4.275 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2ccccc2F)o1 ZINC000491284698 1041025184 /nfs/dbraw/zinc/02/51/84/1041025184.db2.gz QPGFNWKLPUSABX-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2ccccc2F)o1 ZINC000491284698 1041025202 /nfs/dbraw/zinc/02/52/02/1041025202.db2.gz QPGFNWKLPUSABX-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934924 1041071021 /nfs/dbraw/zinc/07/10/21/1041071021.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 1 1 332.491 4.023 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000467579490 1041084745 /nfs/dbraw/zinc/08/47/45/1041084745.db2.gz SVYGNVTYHJFENB-LAUBAEHRSA-N 1 1 328.500 4.137 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741917 1041125972 /nfs/dbraw/zinc/12/59/72/1041125972.db2.gz YIFQAOQVJDXBAZ-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741917 1041125977 /nfs/dbraw/zinc/12/59/77/1041125977.db2.gz YIFQAOQVJDXBAZ-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1ccccc1Br ZINC000538223079 1041178766 /nfs/dbraw/zinc/17/87/66/1041178766.db2.gz GORNLPKRNMNBCX-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000425529722 1041185090 /nfs/dbraw/zinc/18/50/90/1041185090.db2.gz CPECPXGAZAPXSR-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539993 1041200204 /nfs/dbraw/zinc/20/02/04/1041200204.db2.gz NOJFGSKIAWZXJX-MRXNPFEDSA-N 1 1 349.478 4.315 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539993 1041200222 /nfs/dbraw/zinc/20/02/22/1041200222.db2.gz NOJFGSKIAWZXJX-MRXNPFEDSA-N 1 1 349.478 4.315 20 30 EIEDMO CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425542082 1041219160 /nfs/dbraw/zinc/21/91/60/1041219160.db2.gz YBPXFRPWFDGQCC-QGZVFWFLSA-N 1 1 349.478 4.137 20 30 EIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000538398026 1041315982 /nfs/dbraw/zinc/31/59/82/1041315982.db2.gz AWFFHNZYPKNABR-SFHVURJKSA-N 1 1 333.479 4.395 20 30 EIEDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000480535813 1041370068 /nfs/dbraw/zinc/37/00/68/1041370068.db2.gz KNEQXBNJRKFQDW-LEWJYISDSA-N 1 1 332.447 4.340 20 30 EIEDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000480535813 1041370078 /nfs/dbraw/zinc/37/00/78/1041370078.db2.gz KNEQXBNJRKFQDW-LEWJYISDSA-N 1 1 332.447 4.340 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1F ZINC000540340908 1041400815 /nfs/dbraw/zinc/40/08/15/1041400815.db2.gz TZPRSNHSUIWDNM-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c1F ZINC000540347901 1041404310 /nfs/dbraw/zinc/40/43/10/1041404310.db2.gz NRGRIVLVHVWOSP-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO COc1ccc(C[N@@H+](CC2CCC2)C(C)C)cc1OCCCC#N ZINC000195079105 1041470678 /nfs/dbraw/zinc/47/06/78/1041470678.db2.gz YTLOCFSPXNHCHH-UHFFFAOYSA-N 1 1 330.472 4.388 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538728149 1041498868 /nfs/dbraw/zinc/49/88/68/1041498868.db2.gz YXTUDQSEYBPOEH-UHFFFAOYSA-N 1 1 342.443 4.174 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)cc(OC)c1O ZINC000538725321 1041516222 /nfs/dbraw/zinc/51/62/22/1041516222.db2.gz NVIBRWDHHFVALT-SJORKVTESA-N 1 1 335.513 4.235 20 30 EIEDMO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437408648 1041790876 /nfs/dbraw/zinc/79/08/76/1041790876.db2.gz IJZDPLNAACJPAN-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437408648 1041790881 /nfs/dbraw/zinc/79/08/81/1041790881.db2.gz IJZDPLNAACJPAN-UHFFFAOYSA-N 1 1 346.377 4.190 20 30 EIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322951 1041892210 /nfs/dbraw/zinc/89/22/10/1041892210.db2.gz XWHHRNJAXGNXJD-MGPUTAFESA-N 1 1 336.435 4.159 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000464648759 1042096449 /nfs/dbraw/zinc/09/64/49/1042096449.db2.gz SOYBNZHKFUULAD-ROUUACIJSA-N 1 1 328.500 4.137 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000506235217 1042188508 /nfs/dbraw/zinc/18/85/08/1042188508.db2.gz UBGUOHCCWSITKN-UHFFFAOYSA-N 1 1 326.827 4.408 20 30 EIEDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000541953856 1042193939 /nfs/dbraw/zinc/19/39/39/1042193939.db2.gz UOGYIBPASKMDLY-ZDUSSCGKSA-N 1 1 344.846 4.000 20 30 EIEDMO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517908811 1042267476 /nfs/dbraw/zinc/26/74/76/1042267476.db2.gz MAMXKCRQPRHLFW-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3nc4ccccc4n3C(F)F)CC2)c1 ZINC000271751878 1042288597 /nfs/dbraw/zinc/28/85/97/1042288597.db2.gz FYDLDTLGSWBYQA-UHFFFAOYSA-N 1 1 338.361 4.082 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000518007682 1042305522 /nfs/dbraw/zinc/30/55/22/1042305522.db2.gz NMOWHJGHJIICGE-INIZCTEOSA-N 1 1 347.384 4.295 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000303205175 1042360653 /nfs/dbraw/zinc/36/06/53/1042360653.db2.gz PKLRWLCKMHQNMU-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000303205175 1042360661 /nfs/dbraw/zinc/36/06/61/1042360661.db2.gz PKLRWLCKMHQNMU-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000108421332 1042410585 /nfs/dbraw/zinc/41/05/85/1042410585.db2.gz DXEODNPEKCPPGL-JOCHJYFZSA-N 1 1 328.415 4.446 20 30 EIEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)CCc1ccco1 ZINC000491366036 1042433367 /nfs/dbraw/zinc/43/33/67/1042433367.db2.gz HIFAQHGFXYRMIA-UHFFFAOYSA-N 1 1 344.480 4.061 20 30 EIEDMO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010468 1042459108 /nfs/dbraw/zinc/45/91/08/1042459108.db2.gz QOPSLHOIRRCOET-VAMGGRTRSA-N 1 1 331.887 4.097 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010465 1042459187 /nfs/dbraw/zinc/45/91/87/1042459187.db2.gz QOPSLHOIRRCOET-SLFFLAALSA-N 1 1 331.887 4.097 20 30 EIEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000491766731 1042496398 /nfs/dbraw/zinc/49/63/98/1042496398.db2.gz HKQGRCYWTAHPCF-AWEZNQCLSA-N 1 1 326.827 4.046 20 30 EIEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000271931783 1042525195 /nfs/dbraw/zinc/52/51/95/1042525195.db2.gz ILODCUWNPDAJCQ-ZMZPIMSZSA-N 1 1 334.341 4.014 20 30 EIEDMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271966227 1042590393 /nfs/dbraw/zinc/59/03/93/1042590393.db2.gz SMOPDGQOVTWMOK-KGLIPLIRSA-N 1 1 336.414 4.479 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000439440041 1042626202 /nfs/dbraw/zinc/62/62/02/1042626202.db2.gz PLESFXDGHRQTPE-IBGZPJMESA-N 1 1 340.854 4.045 20 30 EIEDMO COc1cc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439460837 1042630994 /nfs/dbraw/zinc/63/09/94/1042630994.db2.gz YTJMBEARSRPDBX-UHFFFAOYSA-N 1 1 344.842 4.169 20 30 EIEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439460837 1042631002 /nfs/dbraw/zinc/63/10/02/1042631002.db2.gz YTJMBEARSRPDBX-UHFFFAOYSA-N 1 1 344.842 4.169 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cc1Cl)CCC2 ZINC000439445689 1042633735 /nfs/dbraw/zinc/63/37/35/1042633735.db2.gz CWFSRQLTJHJFLF-MRXNPFEDSA-N 1 1 331.872 4.486 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1Cl)CCC2 ZINC000439445689 1042633740 /nfs/dbraw/zinc/63/37/40/1042633740.db2.gz CWFSRQLTJHJFLF-MRXNPFEDSA-N 1 1 331.872 4.486 20 30 EIEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000439496071 1042666823 /nfs/dbraw/zinc/66/68/23/1042666823.db2.gz RKWNDAYTRNXZKK-OXJNMPFZSA-N 1 1 334.504 4.150 20 30 EIEDMO CS[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492566341 1042700314 /nfs/dbraw/zinc/70/03/14/1042700314.db2.gz YUAKKLXZEZAHRX-AWEZNQCLSA-N 1 1 339.302 4.038 20 30 EIEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000174811825 1042714598 /nfs/dbraw/zinc/71/45/98/1042714598.db2.gz OJFOHALYTBETRV-UHFFFAOYSA-N 1 1 330.472 4.172 20 30 EIEDMO CCCCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001127273296 1042870944 /nfs/dbraw/zinc/87/09/44/1042870944.db2.gz MNYALHQUWDQDHG-HXUWFJFHSA-N 1 1 330.516 4.375 20 30 EIEDMO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000441544790 1042880537 /nfs/dbraw/zinc/88/05/37/1042880537.db2.gz KHZMUCRNTUNQLJ-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216238136 1043088924 /nfs/dbraw/zinc/08/89/24/1043088924.db2.gz RKLYBJNQONOGAH-LBPRGKRZSA-N 1 1 347.871 4.122 20 30 EIEDMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216238136 1043088937 /nfs/dbraw/zinc/08/89/37/1043088937.db2.gz RKLYBJNQONOGAH-LBPRGKRZSA-N 1 1 347.871 4.122 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000487407590 1043258216 /nfs/dbraw/zinc/25/82/16/1043258216.db2.gz BYKSWDRJATYCGU-LJQANCHMSA-N 1 1 326.484 4.411 20 30 EIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554319 1043264056 /nfs/dbraw/zinc/26/40/56/1043264056.db2.gz UEQIVLCAENJJFN-ZWKOTPCHSA-N 1 1 336.520 4.003 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557716 1043318615 /nfs/dbraw/zinc/31/86/15/1043318615.db2.gz GLIJHRCIZRKLGB-NHCUHLMSSA-N 1 1 341.401 4.168 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)c(OC)c1 ZINC000164519832 1043341440 /nfs/dbraw/zinc/34/14/40/1043341440.db2.gz JTDCNBDURLBOMI-LJQANCHMSA-N 1 1 338.451 4.170 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)c(F)c1 ZINC000187374611 1043344729 /nfs/dbraw/zinc/34/47/29/1043344729.db2.gz CTXOTWGYRLEMGR-GOSISDBHSA-N 1 1 331.362 4.143 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000625700490 1043358162 /nfs/dbraw/zinc/35/81/62/1043358162.db2.gz ITUCTBXCJBPHFW-LLVKDONJSA-N 1 1 338.238 4.441 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000625702617 1043361185 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CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000731211803 1043714226 /nfs/dbraw/zinc/71/42/26/1043714226.db2.gz BPADJUKTTYNCLO-NRFANRHFSA-N 1 1 334.463 4.358 20 30 EIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731213203 1043714566 /nfs/dbraw/zinc/71/45/66/1043714566.db2.gz WNROITPTQFBLFT-HXUWFJFHSA-N 1 1 336.435 4.325 20 30 EIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000731211603 1043715619 /nfs/dbraw/zinc/71/56/19/1043715619.db2.gz QKFGBBRLZHNZBY-UHFFFAOYSA-N 1 1 334.341 4.240 20 30 EIEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000255684630 1043717701 /nfs/dbraw/zinc/71/77/01/1043717701.db2.gz PXBMDDLWLGSMRU-ZWKOTPCHSA-N 1 1 349.478 4.161 20 30 EIEDMO N#CCOc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000731844801 1043834656 /nfs/dbraw/zinc/83/46/56/1043834656.db2.gz VTUIMPYIMVBFFD-UHFFFAOYSA-N 1 1 348.402 4.090 20 30 EIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442798145 1043844079 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EIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(Cl)s2)c1O ZINC000732424571 1043915110 /nfs/dbraw/zinc/91/51/10/1043915110.db2.gz IZBKSUFGBBXKPX-UHFFFAOYSA-N 1 1 337.872 4.476 20 30 EIEDMO C=CCc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(O)c(OC)c1 ZINC000732493134 1043927699 /nfs/dbraw/zinc/92/76/99/1043927699.db2.gz YQSJQMLXRUDYMC-UHFFFAOYSA-N 1 1 341.426 4.433 20 30 EIEDMO C=C1CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000521741349 1043947165 /nfs/dbraw/zinc/94/71/65/1043947165.db2.gz ANDAQYMKDXURBK-UHFFFAOYSA-N 1 1 344.474 4.139 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000487422077 1043950901 /nfs/dbraw/zinc/95/09/01/1043950901.db2.gz RDBTZDLYHBGBDA-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000521823169 1044011534 /nfs/dbraw/zinc/01/15/34/1044011534.db2.gz LAWFADKBMPBJRK-OAQYLSRUSA-N 1 1 349.478 4.406 20 30 EIEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC000067716430 1044014602 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C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)Cc2ccccc21 ZINC000735306703 1044785137 /nfs/dbraw/zinc/78/51/37/1044785137.db2.gz RMIAVXGFBADZOA-AWEZNQCLSA-N 1 1 326.827 4.362 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000735309089 1044785974 /nfs/dbraw/zinc/78/59/74/1044785974.db2.gz FPKKSFBDWUYYRX-CQSZACIVSA-N 1 1 344.817 4.371 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)cc1OC(F)F ZINC000495203885 1044787844 /nfs/dbraw/zinc/78/78/44/1044787844.db2.gz XWXIYOMJVDCGPW-UHFFFAOYSA-N 1 1 337.366 4.120 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ncc(Cl)n2C)C(C)(C)C)cc1 ZINC000761916049 1044824606 /nfs/dbraw/zinc/82/46/06/1044824606.db2.gz SZVCWPUDKKARGN-UHFFFAOYSA-N 1 1 347.890 4.439 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ncc(Cl)n2C)C(C)(C)C)cc1 ZINC000761916049 1044824611 /nfs/dbraw/zinc/82/46/11/1044824611.db2.gz SZVCWPUDKKARGN-UHFFFAOYSA-N 1 1 347.890 4.439 20 30 EIEDMO CC(N=Nc1cccc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609485 1044841392 /nfs/dbraw/zinc/84/13/92/1044841392.db2.gz 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CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000072692347 1045795792 /nfs/dbraw/zinc/79/57/92/1045795792.db2.gz XTWCJDVTBSVIJA-UHFFFAOYSA-N 1 1 337.467 4.422 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704113 1045809701 /nfs/dbraw/zinc/80/97/01/1045809701.db2.gz TVEABYPYRCTFKZ-RLFYNMQTSA-N 1 1 329.463 4.001 20 30 EIEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704113 1045809702 /nfs/dbraw/zinc/80/97/02/1045809702.db2.gz TVEABYPYRCTFKZ-RLFYNMQTSA-N 1 1 329.463 4.001 20 30 EIEDMO C=CC[N@H+](Cc1cc(OC)ccc1OCc1ccccn1)C(C)C ZINC000768548080 1045822310 /nfs/dbraw/zinc/82/23/10/1045822310.db2.gz VZQSQKHFXWEQFN-UHFFFAOYSA-N 1 1 326.440 4.066 20 30 EIEDMO CC(C)(C#N)CCCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000768720718 1045832430 /nfs/dbraw/zinc/83/24/30/1045832430.db2.gz ZRVHGNNNMRQBLV-LJQANCHMSA-N 1 1 342.483 4.304 20 30 EIEDMO CC(C)(C#N)CCCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000768720718 1045832433 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CC(=[NH+]Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000916246978 1045968829 /nfs/dbraw/zinc/96/88/29/1045968829.db2.gz RMXKRKZTBQLUIL-UHFFFAOYSA-N 1 1 329.831 4.013 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000769465338 1045982685 /nfs/dbraw/zinc/98/26/85/1045982685.db2.gz FYIKUZCFORBJJR-GPMSIDNRSA-N 1 1 338.426 4.495 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170289862 1045991705 /nfs/dbraw/zinc/99/17/05/1045991705.db2.gz AJKRXBVSXMUIQG-UXHICEINSA-N 1 1 340.854 4.472 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769513363 1046005339 /nfs/dbraw/zinc/00/53/39/1046005339.db2.gz BNJSCWVLABJYJH-OXJNMPFZSA-N 1 1 341.476 4.112 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769513363 1046005351 /nfs/dbraw/zinc/00/53/51/1046005351.db2.gz BNJSCWVLABJYJH-OXJNMPFZSA-N 1 1 341.476 4.112 20 30 EIEDMO Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC001170333377 1046005984 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C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588721 1046788973 /nfs/dbraw/zinc/78/89/73/1046788973.db2.gz HSYZOJSVYVPYEX-YOEHRIQHSA-N 1 1 333.863 4.070 20 30 EIEDMO C=C(Cl)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785972249 1046791818 /nfs/dbraw/zinc/79/18/18/1046791818.db2.gz AKRNIJBJCFVBBV-UHFFFAOYSA-N 1 1 327.855 4.390 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000746659508 1046928755 /nfs/dbraw/zinc/92/87/55/1046928755.db2.gz WAOYEAHEINGNCR-YWZLYKJASA-N 1 1 326.415 4.122 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537185801 1047025843 /nfs/dbraw/zinc/02/58/43/1047025843.db2.gz VBQPDCFNIQXVRC-RTBURBONSA-N 1 1 343.515 4.037 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000746693929 1047026559 /nfs/dbraw/zinc/02/65/59/1047026559.db2.gz NEGHEGKOYOWAAY-UHFFFAOYSA-N 1 1 332.451 4.373 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000746693929 1047026577 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C=CCCC1(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000476455461 1047817687 /nfs/dbraw/zinc/81/76/87/1047817687.db2.gz DRGHUJMSBUYZHP-ICSRJNTNSA-N 1 1 340.511 4.150 20 30 EIEDMO CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)n2)C1 ZINC001171064522 1047916495 /nfs/dbraw/zinc/91/64/95/1047916495.db2.gz GRBSLBOBVSWPTP-GOSISDBHSA-N 1 1 347.466 4.074 20 30 EIEDMO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000556884379 1048100162 /nfs/dbraw/zinc/10/01/62/1048100162.db2.gz CAIMAIVIPKIVBM-VABKMULXSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000556884379 1048100175 /nfs/dbraw/zinc/10/01/75/1048100175.db2.gz CAIMAIVIPKIVBM-VABKMULXSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000556884379 1048100190 /nfs/dbraw/zinc/10/01/90/1048100190.db2.gz CAIMAIVIPKIVBM-VABKMULXSA-N 1 1 345.490 4.188 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 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YHUYHOPFJHOFCW-OAHLLOKOSA-N 1 1 340.471 4.090 20 30 EIEDMO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169321 1048482840 /nfs/dbraw/zinc/48/28/40/1048482840.db2.gz FSNQZMPPXMGHNZ-GOSISDBHSA-N 1 1 335.451 4.120 20 30 EIEDMO C=C(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C(F)(F)F ZINC001144209412 1048496758 /nfs/dbraw/zinc/49/67/58/1048496758.db2.gz GYOWMGTUYAZHNG-UHFFFAOYSA-N 1 1 337.345 4.112 20 30 EIEDMO C#Cc1ccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000809769996 1048502990 /nfs/dbraw/zinc/50/29/90/1048502990.db2.gz PFMQHBIJXACGTF-UHFFFAOYSA-N 1 1 325.280 4.255 20 30 EIEDMO Cc1c(C#N)ccnc1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170586930 1048528060 /nfs/dbraw/zinc/52/80/60/1048528060.db2.gz YZQDJKRSQWUZJM-INIZCTEOSA-N 1 1 349.265 4.283 20 30 EIEDMO CCCCCCC[N@@H+](CC)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279624 1048557966 /nfs/dbraw/zinc/55/79/66/1048557966.db2.gz YVRVPINXYGTVCA-UHFFFAOYSA-N 1 1 349.471 4.330 20 30 EIEDMO CCOc1cccc(/C=N/[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174130 1048571216 /nfs/dbraw/zinc/57/12/16/1048571216.db2.gz KIOLQSIBANIVNC-ISXIEHEGSA-N 1 1 338.451 4.045 20 30 EIEDMO N#CCSCCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000074980960 1048635638 /nfs/dbraw/zinc/63/56/38/1048635638.db2.gz JVKMFQHHUFZAJU-UHFFFAOYSA-N 1 1 328.403 4.317 20 30 EIEDMO C#Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576579 1048736027 /nfs/dbraw/zinc/73/60/27/1048736027.db2.gz NOPARYCRTRKYTQ-FQEVSTJZSA-N 1 1 325.839 4.069 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576579 1048736042 /nfs/dbraw/zinc/73/60/42/1048736042.db2.gz NOPARYCRTRKYTQ-FQEVSTJZSA-N 1 1 325.839 4.069 20 30 EIEDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000748050418 1048736878 /nfs/dbraw/zinc/73/68/78/1048736878.db2.gz AKSGHSOLUPLDLW-ZDUSSCGKSA-N 1 1 340.398 4.189 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(Cl)c1 ZINC000615231410 1048737716 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Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001171330352 1049305297 /nfs/dbraw/zinc/30/52/97/1049305297.db2.gz AEIPSRGAQGRUKB-UHFFFAOYSA-N 1 1 330.353 4.444 20 30 EIEDMO N#Cc1c(F)cccc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064550895 1049337974 /nfs/dbraw/zinc/33/79/74/1049337974.db2.gz QYSDNNYECBFGHG-CQSZACIVSA-N 1 1 329.444 4.083 20 30 EIEDMO C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609915808 1049395589 /nfs/dbraw/zinc/39/55/89/1049395589.db2.gz UHNDZJGMFXYQDF-UHFFFAOYSA-N 1 1 345.512 4.115 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000805748327 1049510620 /nfs/dbraw/zinc/51/06/20/1049510620.db2.gz MIPFGZHEYKQCKP-GOSISDBHSA-N 1 1 339.236 4.175 20 30 EIEDMO C#CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000773113180 1049590498 /nfs/dbraw/zinc/59/04/98/1049590498.db2.gz CCVXRUHSCIFHBE-YWZLYKJASA-N 1 1 348.425 4.130 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccc(F)cc1 ZINC000812792894 1049593170 /nfs/dbraw/zinc/59/31/70/1049593170.db2.gz KDVPUBIMYBDODQ-SFHVURJKSA-N 1 1 327.399 4.087 20 30 EIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001247622782 1049602592 /nfs/dbraw/zinc/60/25/92/1049602592.db2.gz RXAWVIXJHWGTAE-NSHDSACASA-N 1 1 342.624 4.119 20 30 EIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001247622781 1049603139 /nfs/dbraw/zinc/60/31/39/1049603139.db2.gz RXAWVIXJHWGTAE-LLVKDONJSA-N 1 1 342.624 4.119 20 30 EIEDMO COC(=O)c1cc2cc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400309 1049621119 /nfs/dbraw/zinc/62/11/19/1049621119.db2.gz VXIYIXOLJIMJLX-AWEZNQCLSA-N 1 1 348.402 4.284 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067975871 1049674396 /nfs/dbraw/zinc/67/43/96/1049674396.db2.gz WQLFQRYEBOUMIF-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC001171491517 1049717901 /nfs/dbraw/zinc/71/79/01/1049717901.db2.gz VWUQFWGSAXKESO-NRFANRHFSA-N 1 1 338.426 4.303 20 30 EIEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(F)c1C#N ZINC000813334362 1049754745 /nfs/dbraw/zinc/75/47/45/1049754745.db2.gz HDJNZVYJDXLYGF-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(F)c1C#N ZINC000813334362 1049754750 /nfs/dbraw/zinc/75/47/50/1049754750.db2.gz HDJNZVYJDXLYGF-UHFFFAOYSA-N 1 1 337.442 4.320 20 30 EIEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001171599864 1049764328 /nfs/dbraw/zinc/76/43/28/1049764328.db2.gz WNKLAHHABKAJDA-UHFFFAOYSA-N 1 1 336.382 4.304 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(C)(C)C ZINC001171616494 1049766835 /nfs/dbraw/zinc/76/68/35/1049766835.db2.gz CHUNYMHVRIOQEH-GQIGUUNPSA-N 1 1 349.519 4.036 20 30 EIEDMO COc1ccc(-c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cc2)cc1 ZINC000822976835 1049812735 /nfs/dbraw/zinc/81/27/35/1049812735.db2.gz KEHVUZGSIWJILZ-SFHVURJKSA-N 1 1 348.406 4.106 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001171848042 1049813499 /nfs/dbraw/zinc/81/34/99/1049813499.db2.gz WINNYTHEIYVALB-LBPRGKRZSA-N 1 1 339.233 4.145 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171900282 1049817276 /nfs/dbraw/zinc/81/72/76/1049817276.db2.gz RRDDMZFGAMAQJE-QFIPXVFZSA-N 1 1 348.490 4.370 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H](C)COC ZINC001171915736 1049819177 /nfs/dbraw/zinc/81/91/77/1049819177.db2.gz GJERQBGRLLTQDD-QGZVFWFLSA-N 1 1 343.442 4.428 20 30 EIEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1cccc2ccccc21 ZINC000823248445 1049835574 /nfs/dbraw/zinc/83/55/74/1049835574.db2.gz OWGRWJOTWHCMOW-KRWDZBQOSA-N 1 1 334.423 4.242 20 30 EIEDMO C#Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974124 1049835823 /nfs/dbraw/zinc/83/58/23/1049835823.db2.gz ANVLHEOKRAMRJL-QFIPXVFZSA-N 1 1 332.491 4.201 20 30 EIEDMO C#Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974124 1049835824 /nfs/dbraw/zinc/83/58/24/1049835824.db2.gz ANVLHEOKRAMRJL-QFIPXVFZSA-N 1 1 332.491 4.201 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974124 1049835825 /nfs/dbraw/zinc/83/58/25/1049835825.db2.gz ANVLHEOKRAMRJL-QFIPXVFZSA-N 1 1 332.491 4.201 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172073617 1049844887 /nfs/dbraw/zinc/84/48/87/1049844887.db2.gz SADLUBRYZHTBSG-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172073617 1049844893 /nfs/dbraw/zinc/84/48/93/1049844893.db2.gz SADLUBRYZHTBSG-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172073617 1049844894 /nfs/dbraw/zinc/84/48/94/1049844894.db2.gz SADLUBRYZHTBSG-JOZNFPNDSA-N 1 1 344.502 4.343 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075026 1049845662 /nfs/dbraw/zinc/84/56/62/1049845662.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 1 1 337.511 4.198 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075026 1049845663 /nfs/dbraw/zinc/84/56/63/1049845663.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 1 1 337.511 4.198 20 30 EIEDMO CCCCN(CC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084098 1049847989 /nfs/dbraw/zinc/84/79/89/1049847989.db2.gz UNZCGQROKSZRPP-AERCQKQUSA-N 1 1 325.500 4.198 20 30 EIEDMO CC(C)C[C@@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066783 1049851231 /nfs/dbraw/zinc/85/12/31/1049851231.db2.gz BHJQUCWYVZLLJF-BURNTYAHSA-N 1 1 325.500 4.100 20 30 EIEDMO N#Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172064537 1049851369 /nfs/dbraw/zinc/85/13/69/1049851369.db2.gz GZRJWQRTBOLHRO-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172064537 1049851371 /nfs/dbraw/zinc/85/13/71/1049851371.db2.gz GZRJWQRTBOLHRO-NUNAXRQHSA-N 1 1 345.490 4.234 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172309384 1049874788 /nfs/dbraw/zinc/87/47/88/1049874788.db2.gz SNDTTXJDVAUFJZ-AEMJNJESSA-N 1 1 338.495 4.016 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172307452 1049874805 /nfs/dbraw/zinc/87/48/05/1049874805.db2.gz OKULGHFLNFKGGS-SFHVURJKSA-N 1 1 333.479 4.221 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313497 1049875965 /nfs/dbraw/zinc/87/59/65/1049875965.db2.gz XZWVFNJMGWBPFQ-IERDGZPVSA-N 1 1 348.446 4.113 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354281 1049892902 /nfs/dbraw/zinc/89/29/02/1049892902.db2.gz FZYPHKWRCHTLNK-WJFTUGDTSA-N 1 1 349.519 4.149 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001172356305 1049894751 /nfs/dbraw/zinc/89/47/51/1049894751.db2.gz VWNLKXCDRDTYTA-QUCCMNQESA-N 1 1 330.520 4.270 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494953 1049921642 /nfs/dbraw/zinc/92/16/42/1049921642.db2.gz AFMDPHUYGXJIBI-FXAWDEMLSA-N 1 1 349.519 4.324 20 30 EIEDMO FC(F)(F)[C@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000649333010 1049922479 /nfs/dbraw/zinc/92/24/79/1049922479.db2.gz JPLANGRTNDWEPU-BBBLOLIVSA-N 1 1 339.270 4.485 20 30 EIEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172498377 1049922651 /nfs/dbraw/zinc/92/26/51/1049922651.db2.gz KTSIKRLWNGOPHY-LMNJBCLMSA-N 1 1 325.500 4.403 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172500627 1049923307 /nfs/dbraw/zinc/92/33/07/1049923307.db2.gz BJNOHUGNHGFSBR-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172500627 1049923318 /nfs/dbraw/zinc/92/33/18/1049923318.db2.gz BJNOHUGNHGFSBR-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172505293 1049923876 /nfs/dbraw/zinc/92/38/76/1049923876.db2.gz LNUHZEOLHKWPRV-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172505293 1049923882 /nfs/dbraw/zinc/92/38/82/1049923882.db2.gz LNUHZEOLHKWPRV-RTBURBONSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172505881 1049924450 /nfs/dbraw/zinc/92/44/50/1049924450.db2.gz WMOWHEFGMLGWAK-RTBURBONSA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504648 1049924573 /nfs/dbraw/zinc/92/45/73/1049924573.db2.gz HOGPHICPJVKGGN-AEFFLSMTSA-N 1 1 349.519 4.323 20 30 EIEDMO CCCCCCC[C@@H](CCC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172511691 1049927079 /nfs/dbraw/zinc/92/70/79/1049927079.db2.gz UQHOUWKKNXHIHO-HXUWFJFHSA-N 1 1 337.596 4.227 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001212325537 1050061077 /nfs/dbraw/zinc/06/10/77/1050061077.db2.gz TXHFKOQWFLJWIQ-SFHVURJKSA-N 1 1 347.418 4.119 20 30 EIEDMO C[C@@H](C[N@H+](C)C[C@@H](C#N)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000249504251 1050100089 /nfs/dbraw/zinc/10/00/89/1050100089.db2.gz YAMGYNZIYLGCOD-QWHCGFSZSA-N 1 1 340.254 4.136 20 30 EIEDMO C[C@@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000249504251 1050100092 /nfs/dbraw/zinc/10/00/92/1050100092.db2.gz YAMGYNZIYLGCOD-QWHCGFSZSA-N 1 1 340.254 4.136 20 30 EIEDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793702 1050157849 /nfs/dbraw/zinc/15/78/49/1050157849.db2.gz BSYKNOXABCFPCO-AEFFLSMTSA-N 1 1 348.874 4.178 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cc1Cl ZINC001177209287 1050160910 /nfs/dbraw/zinc/16/09/10/1050160910.db2.gz LFHLFWPTGCRLNX-SFHVURJKSA-N 1 1 336.907 4.115 20 30 EIEDMO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1Br ZINC000181512114 1050164467 /nfs/dbraw/zinc/16/44/67/1050164467.db2.gz LRUOMRABJIDYBP-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910136 1050245110 /nfs/dbraw/zinc/24/51/10/1050245110.db2.gz KDULDASUPXXYJG-GOSISDBHSA-N 1 1 327.428 4.000 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000181637759 1050272820 /nfs/dbraw/zinc/27/28/20/1050272820.db2.gz LKXLPNBCTBMTJJ-LJQANCHMSA-N 1 1 330.378 4.332 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000181643829 1050280243 /nfs/dbraw/zinc/28/02/43/1050280243.db2.gz UVVFXBVNNLMKMI-LJQANCHMSA-N 1 1 330.378 4.332 20 30 EIEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001173089499 1050281250 /nfs/dbraw/zinc/28/12/50/1050281250.db2.gz XGKAJBOURPERDJ-UKRRQHHQSA-N 1 1 326.362 4.142 20 30 EIEDMO CC1(C)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000618281995 1050328387 /nfs/dbraw/zinc/32/83/87/1050328387.db2.gz JUHNCPFRKVCUGM-UHFFFAOYSA-N 1 1 348.490 4.387 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000618304441 1050336001 /nfs/dbraw/zinc/33/60/01/1050336001.db2.gz AJYHDKCLDQHIHK-INIZCTEOSA-N 1 1 342.405 4.132 20 30 EIEDMO C=CC[N@@H+](Cc1csc(-c2ncccn2)n1)CC1CCCCC1 ZINC000069859822 1050387650 /nfs/dbraw/zinc/38/76/50/1050387650.db2.gz HADFNAPEBAMHBE-UHFFFAOYSA-N 1 1 328.485 4.168 20 30 EIEDMO C=CC[N@H+](Cc1csc(-c2ncccn2)n1)CC1CCCCC1 ZINC000069859822 1050387655 /nfs/dbraw/zinc/38/76/55/1050387655.db2.gz HADFNAPEBAMHBE-UHFFFAOYSA-N 1 1 328.485 4.168 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](CCCC)CC(C)C ZINC001173262833 1050388146 /nfs/dbraw/zinc/38/81/46/1050388146.db2.gz UREJCHTYJPLNOO-PKOBYXMFSA-N 1 1 348.535 4.005 20 30 EIEDMO CCCCCCCC[C@@H](CCC)[NH2+]CCCN1CCN(C)CC1 ZINC001173308696 1050402910 /nfs/dbraw/zinc/40/29/10/1050402910.db2.gz ODVZZMMDXPKBDT-HXUWFJFHSA-N 1 1 325.585 4.133 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173327784 1050420615 /nfs/dbraw/zinc/42/06/15/1050420615.db2.gz RREVDYNTAOQWHR-CTWPCTMYSA-N 1 1 335.488 4.429 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1C#N ZINC000618591494 1050424504 /nfs/dbraw/zinc/42/45/04/1050424504.db2.gz KYSLJASBJVTRMH-GOSISDBHSA-N 1 1 331.419 4.388 20 30 EIEDMO N#CCC1CCC(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001173336800 1050424632 /nfs/dbraw/zinc/42/46/32/1050424632.db2.gz MJFMNUUYPMSLMJ-ZNIKRAEXSA-N 1 1 337.511 4.154 20 30 EIEDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000618593938 1050428223 /nfs/dbraw/zinc/42/82/23/1050428223.db2.gz ZAAHPHXOKMGIRF-YADHBBJMSA-N 1 1 334.463 4.466 20 30 EIEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2C2CCC(CC#N)CC2)c1 ZINC001173340664 1050430938 /nfs/dbraw/zinc/43/09/38/1050430938.db2.gz JLMABVWZHHFRFL-XUJQIHCRSA-N 1 1 326.440 4.083 20 30 EIEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1Br ZINC001187064252 1050472055 /nfs/dbraw/zinc/47/20/55/1050472055.db2.gz RJDFNHUXERGGBA-INIZCTEOSA-N 1 1 348.288 4.140 20 30 EIEDMO CC[C@H](C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCc1ccccc1 ZINC001173585999 1050492678 /nfs/dbraw/zinc/49/26/78/1050492678.db2.gz CLMKICXNZRDFDB-OMMGITJUSA-N 1 1 342.483 4.207 20 30 EIEDMO CC(C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCc1ccccc1 ZINC001173590465 1050494969 /nfs/dbraw/zinc/49/49/69/1050494969.db2.gz YSPNIXCIJQGYLY-SCCNAQOGSA-N 1 1 342.483 4.207 20 30 EIEDMO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173593428 1050497017 /nfs/dbraw/zinc/49/70/17/1050497017.db2.gz IXYABTUHDIOFCU-ZRDSACAASA-N 1 1 349.519 4.084 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2C2CCC(C)(C#N)CC2)cc1OC ZINC001173595868 1050497194 /nfs/dbraw/zinc/49/71/94/1050497194.db2.gz ADIXXJTVVBTXPH-GNZRSQJKSA-N 1 1 328.456 4.313 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173595743 1050497458 /nfs/dbraw/zinc/49/74/58/1050497458.db2.gz VHZQZKITQWLYIU-SAZYNNDCSA-N 1 1 338.495 4.498 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001173599753 1050499157 /nfs/dbraw/zinc/49/91/57/1050499157.db2.gz QHOPZFCWGSPUES-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO COc1ccc([C@@H]2CSCC[N@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173599134 1050500532 /nfs/dbraw/zinc/50/05/32/1050500532.db2.gz GBNFWEXIUCUZIC-AVAKVYKDSA-N 1 1 330.497 4.258 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760406 1050682843 /nfs/dbraw/zinc/68/28/43/1050682843.db2.gz ANVJGPNKRQBWPM-INIZCTEOSA-N 1 1 340.389 4.409 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760406 1050682856 /nfs/dbraw/zinc/68/28/56/1050682856.db2.gz ANVJGPNKRQBWPM-INIZCTEOSA-N 1 1 340.389 4.409 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1c(C)noc1C ZINC000182518954 1050723164 /nfs/dbraw/zinc/72/31/64/1050723164.db2.gz YSUMONGUUXXPGO-HNNXBMFYSA-N 1 1 348.244 4.167 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000619508756 1050797083 /nfs/dbraw/zinc/79/70/83/1050797083.db2.gz WYCIZRZDRMLTHQ-QZTJIDSGSA-N 1 1 340.373 4.327 20 30 EIEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881671 1050817386 /nfs/dbraw/zinc/81/73/86/1050817386.db2.gz ISDDEHDRUDMAHQ-YLJYHZDGSA-N 1 1 333.479 4.077 20 30 EIEDMO C#CC[N@H+](Cc1cc2c(cccc2O)s1)Cc1ccc(F)cc1 ZINC001180023789 1050856811 /nfs/dbraw/zinc/85/68/11/1050856811.db2.gz GBPXFVGRYRPPIK-UHFFFAOYSA-N 1 1 325.408 4.381 20 30 EIEDMO C#CC[N@H+](Cc1ccc(OCC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001180295829 1050958954 /nfs/dbraw/zinc/95/89/54/1050958954.db2.gz AVGWQVWVTLADRZ-FQEVSTJZSA-N 1 1 335.447 4.217 20 30 EIEDMO CC(C)[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001174574744 1051059443 /nfs/dbraw/zinc/05/94/43/1051059443.db2.gz NIKBTWJRKBOQOD-VTLFHKLASA-N 1 1 339.527 4.159 20 30 EIEDMO Cn1nc(CC/[NH+]=C\c2c(O)ccc3ccccc32)c2ccccc21 ZINC000773904489 1051157514 /nfs/dbraw/zinc/15/75/14/1051157514.db2.gz BXZYIMCUPMXHCU-HMAPJEAMSA-N 1 1 329.403 4.094 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC001190408311 1051176970 /nfs/dbraw/zinc/17/69/70/1051176970.db2.gz WARMAXVZYCVXRW-OAQYLSRUSA-N 1 1 332.447 4.142 20 30 EIEDMO C#CC[N@H+](CC/C=C/c1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001190529552 1051206317 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C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@]1(C)Br ZINC001181707674 1051281536 /nfs/dbraw/zinc/28/15/36/1051281536.db2.gz OBWDQYKBJDFJCJ-HOTGVXAUSA-N 1 1 340.309 4.016 20 30 EIEDMO C[N@@H+](CCc1ccc(Br)cc1)CC1CCC(C#N)CC1 ZINC001190924075 1051300725 /nfs/dbraw/zinc/30/07/25/1051300725.db2.gz ISWLJEWBLIHFQF-UHFFFAOYSA-N 1 1 335.289 4.253 20 30 EIEDMO CC[C@@H](OCC[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001175062058 1051315856 /nfs/dbraw/zinc/31/58/56/1051315856.db2.gz MOKQBHZLLFVTPH-JOCHJYFZSA-N 1 1 334.463 4.279 20 30 EIEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1OC)CC1CCCCC1 ZINC001190986187 1051319316 /nfs/dbraw/zinc/31/93/16/1051319316.db2.gz WJWOOYSSOSOOLO-UHFFFAOYSA-N 1 1 331.456 4.050 20 30 EIEDMO CCCCCCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191095945 1051362976 /nfs/dbraw/zinc/36/29/76/1051362976.db2.gz MIIZBKNWSIVUKT-FQEVSTJZSA-N 1 1 345.531 4.120 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164654 1051371762 /nfs/dbraw/zinc/37/17/62/1051371762.db2.gz IJDAGDVWWQFSCV-JKSUJKDBSA-N 1 1 340.389 4.212 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C#N ZINC001191173735 1051373583 /nfs/dbraw/zinc/37/35/83/1051373583.db2.gz IHCWLLCGRIHFAC-SFHVURJKSA-N 1 1 336.410 4.101 20 30 EIEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2F)cc1C#N ZINC001175129530 1051396667 /nfs/dbraw/zinc/39/66/67/1051396667.db2.gz VRUAYTDUDUXQBT-UHFFFAOYSA-N 1 1 347.231 4.400 20 30 EIEDMO Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2F)cc1C#N ZINC001175129530 1051396679 /nfs/dbraw/zinc/39/66/79/1051396679.db2.gz VRUAYTDUDUXQBT-UHFFFAOYSA-N 1 1 347.231 4.400 20 30 EIEDMO CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191258212 1051396923 /nfs/dbraw/zinc/39/69/23/1051396923.db2.gz KWOPDFXIXNNNSN-KUHUBIRLSA-N 1 1 347.890 4.441 20 30 EIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232111 1051405397 /nfs/dbraw/zinc/40/53/97/1051405397.db2.gz GFZPXHNFXUQYQH-LEWJYISDSA-N 1 1 347.462 4.155 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001182186023 1051414758 /nfs/dbraw/zinc/41/47/58/1051414758.db2.gz ZBAYOJPKFHOSIZ-NRFANRHFSA-N 1 1 340.511 4.256 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001182186023 1051414769 /nfs/dbraw/zinc/41/47/69/1051414769.db2.gz ZBAYOJPKFHOSIZ-NRFANRHFSA-N 1 1 340.511 4.256 20 30 EIEDMO CCCC[N@@H+](CC)[C@@H](C(=O)Nc1ccsc1C#N)c1ccccc1 ZINC001182231074 1051429332 /nfs/dbraw/zinc/42/93/32/1051429332.db2.gz GGGUXBLVIRIFIU-GOSISDBHSA-N 1 1 341.480 4.422 20 30 EIEDMO N#CCCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246595 1051439600 /nfs/dbraw/zinc/43/96/00/1051439600.db2.gz XPSDKFGXUDYKHT-GOSISDBHSA-N 1 1 347.890 4.067 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](COC)Cc1ccccc1 ZINC001191454127 1051457311 /nfs/dbraw/zinc/45/73/11/1051457311.db2.gz MLSFQTGNYXFOFZ-NRFANRHFSA-N 1 1 341.882 4.271 20 30 EIEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301311 1051484430 /nfs/dbraw/zinc/48/44/30/1051484430.db2.gz QWNWHFFWFMCOKD-DENIHFKCSA-N 1 1 348.490 4.386 20 30 EIEDMO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182342840 1051510178 /nfs/dbraw/zinc/51/01/78/1051510178.db2.gz GCUMPCSVPVDORG-GOSISDBHSA-N 1 1 340.442 4.020 20 30 EIEDMO C=CCC(CC=C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157495708 1051643092 /nfs/dbraw/zinc/64/30/92/1051643092.db2.gz AOYMNLDYNVCXIC-GOSISDBHSA-N 1 1 332.532 4.258 20 30 EIEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001192216036 1051667609 /nfs/dbraw/zinc/66/76/09/1051667609.db2.gz YMSKLSYZNHEYDN-MRXNPFEDSA-N 1 1 333.863 4.195 20 30 EIEDMO CCCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCc2ncsc2C1 ZINC001182716034 1051682403 /nfs/dbraw/zinc/68/24/03/1051682403.db2.gz TYKORFKFTXHZPF-HNNXBMFYSA-N 1 1 343.471 4.313 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001182769662 1051706796 /nfs/dbraw/zinc/70/67/96/1051706796.db2.gz PDFPFESYFRSHFI-LJQANCHMSA-N 1 1 342.483 4.124 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)OC)o2)C1 ZINC001183065837 1051783371 /nfs/dbraw/zinc/78/33/71/1051783371.db2.gz PYRXJPHORVXAGC-HNNXBMFYSA-N 1 1 325.408 4.131 20 30 EIEDMO Cc1ccc(Cl)cc1Oc1ccccc1C[N@H+](C)C[C@H](O)CC#N ZINC001175821079 1051806057 /nfs/dbraw/zinc/80/60/57/1051806057.db2.gz GHHGDMSIIQCPHW-QGZVFWFLSA-N 1 1 344.842 4.147 20 30 EIEDMO Cc1ccc(Cl)cc1Oc1ccccc1C[N@@H+](C)C[C@H](O)CC#N ZINC001175821079 1051806066 /nfs/dbraw/zinc/80/60/66/1051806066.db2.gz GHHGDMSIIQCPHW-QGZVFWFLSA-N 1 1 344.842 4.147 20 30 EIEDMO C=C(Br)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC001192791574 1051817467 /nfs/dbraw/zinc/81/74/67/1051817467.db2.gz MQEWJCKLOFTHEH-QGZVFWFLSA-N 1 1 332.241 4.305 20 30 EIEDMO N#Cc1ccc2ccccc2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175858188 1051822492 /nfs/dbraw/zinc/82/24/92/1051822492.db2.gz UFKICQIQOPBYGZ-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC001175873189 1051830749 /nfs/dbraw/zinc/83/07/49/1051830749.db2.gz NLXHPSMATVBRMI-GOSISDBHSA-N 1 1 325.843 4.375 20 30 EIEDMO N#CC1(CC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCCCC1 ZINC001193011491 1051852465 /nfs/dbraw/zinc/85/24/65/1051852465.db2.gz JEKVGPIHHIIIAG-SFHVURJKSA-N 1 1 336.483 4.365 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640953 1051854077 /nfs/dbraw/zinc/85/40/77/1051854077.db2.gz XRWUGEVVKBROOV-SLFFLAALSA-N 1 1 340.854 4.145 20 30 EIEDMO Fc1cccc(F)c1[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001176021151 1051877754 /nfs/dbraw/zinc/87/77/54/1051877754.db2.gz NQLPJUVGCFXXCZ-HNNXBMFYSA-N 1 1 331.793 4.459 20 30 EIEDMO Fc1cccc(F)c1[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001176021151 1051877757 /nfs/dbraw/zinc/87/77/57/1051877757.db2.gz NQLPJUVGCFXXCZ-HNNXBMFYSA-N 1 1 331.793 4.459 20 30 EIEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC001193208766 1051884771 /nfs/dbraw/zinc/88/47/71/1051884771.db2.gz DAZVHTZKJRCMAX-HXUWFJFHSA-N 1 1 327.516 4.303 20 30 EIEDMO CC[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC001193208766 1051884777 /nfs/dbraw/zinc/88/47/77/1051884777.db2.gz DAZVHTZKJRCMAX-HXUWFJFHSA-N 1 1 327.516 4.303 20 30 EIEDMO CC[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC001193208766 1051884781 /nfs/dbraw/zinc/88/47/81/1051884781.db2.gz DAZVHTZKJRCMAX-HXUWFJFHSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234925 1051968919 /nfs/dbraw/zinc/96/89/19/1051968919.db2.gz LLTNRFUUSBZSDE-YOEHRIQHSA-N 1 1 337.492 4.444 20 30 EIEDMO COc1cc(Cl)cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001176343596 1052000157 /nfs/dbraw/zinc/00/01/57/1052000157.db2.gz FWXWDJKGJDZNEL-UHFFFAOYSA-N 1 1 333.844 4.013 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001193941764 1052042475 /nfs/dbraw/zinc/04/24/75/1052042475.db2.gz FGWWAEQMKQBYIY-KRWDZBQOSA-N 1 1 347.478 4.039 20 30 EIEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C(C)C ZINC001176373604 1052045498 /nfs/dbraw/zinc/04/54/98/1052045498.db2.gz UNTPGNWEZHAOHH-UHFFFAOYSA-N 1 1 336.435 4.151 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)CCCCc2cccc(Cl)c2)n1 ZINC001194010678 1052048004 /nfs/dbraw/zinc/04/80/04/1052048004.db2.gz XLSBSGJFGXOYNZ-UHFFFAOYSA-N 1 1 329.875 4.015 20 30 EIEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC001194052452 1052061537 /nfs/dbraw/zinc/06/15/37/1052061537.db2.gz VMTYTICXJHTDAR-UHFFFAOYSA-N 1 1 346.833 4.496 20 30 EIEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC001194052452 1052061549 /nfs/dbraw/zinc/06/15/49/1052061549.db2.gz VMTYTICXJHTDAR-UHFFFAOYSA-N 1 1 346.833 4.496 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913997 1052282332 /nfs/dbraw/zinc/28/23/32/1052282332.db2.gz UGGQVVYDXCXIKT-SFTDATJTSA-N 1 1 338.426 4.094 20 30 EIEDMO C=CCCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000172174830 1052482134 /nfs/dbraw/zinc/48/21/34/1052482134.db2.gz OBRSQFWXWYIUFB-UHFFFAOYSA-N 1 1 338.451 4.140 20 30 EIEDMO C#CC[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000763951276 1052659274 /nfs/dbraw/zinc/65/92/74/1052659274.db2.gz URYWMQBASGTLMH-UHFFFAOYSA-N 1 1 332.403 4.101 20 30 EIEDMO C#CC[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000763951276 1052659278 /nfs/dbraw/zinc/65/92/78/1052659278.db2.gz URYWMQBASGTLMH-UHFFFAOYSA-N 1 1 332.403 4.101 20 30 EIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961134 1052683454 /nfs/dbraw/zinc/68/34/54/1052683454.db2.gz CGZMKHVAPQAYNJ-NFBKMPQASA-N 1 1 348.490 4.280 20 30 EIEDMO Cc1n[nH]c(C)c1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000122877054 1052760398 /nfs/dbraw/zinc/76/03/98/1052760398.db2.gz ATRAGBUHVDMOOX-UHFFFAOYSA-N 1 1 348.425 4.240 20 30 EIEDMO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000122877054 1052760405 /nfs/dbraw/zinc/76/04/05/1052760405.db2.gz ATRAGBUHVDMOOX-UHFFFAOYSA-N 1 1 348.425 4.240 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183069425 1052963113 /nfs/dbraw/zinc/96/31/13/1052963113.db2.gz LLARDJAEEPGGKW-INIZCTEOSA-N 1 1 347.528 4.102 20 30 EIEDMO CCCCCCCCOC(=O)NC1CCN(c2[nH+]cccc2C)CC1 ZINC001194753006 1053081552 /nfs/dbraw/zinc/08/15/52/1053081552.db2.gz YAJUXOOAXGGXSI-UHFFFAOYSA-N 1 1 347.503 4.446 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000775610059 1053091585 /nfs/dbraw/zinc/09/15/85/1053091585.db2.gz LBMDEYRYLDALBZ-IBGZPJMESA-N 1 1 328.843 4.076 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000775615931 1053112933 /nfs/dbraw/zinc/11/29/33/1053112933.db2.gz VOXMBFFQDRHCBH-MOPGFXCFSA-N 1 1 338.451 4.169 20 30 EIEDMO COc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C(C)(C)C)cc1 ZINC001194865273 1053134049 /nfs/dbraw/zinc/13/40/49/1053134049.db2.gz SIVGHAAODOTINW-UHFFFAOYSA-N 1 1 338.451 4.246 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775623776 1053195545 /nfs/dbraw/zinc/19/55/45/1053195545.db2.gz NQGMCTSONYHPCA-WOJBJXKFSA-N 1 1 340.854 4.300 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775623776 1053195571 /nfs/dbraw/zinc/19/55/71/1053195571.db2.gz NQGMCTSONYHPCA-WOJBJXKFSA-N 1 1 340.854 4.300 20 30 EIEDMO C#CC[N@@H+](Cc1cnc(-c2ccc(Br)cc2)s1)C1CC1 ZINC000764681041 1053266663 /nfs/dbraw/zinc/26/66/63/1053266663.db2.gz DKXNSNRZRHTJND-UHFFFAOYSA-N 1 1 347.281 4.170 20 30 EIEDMO C#CC[N@H+](Cc1cnc(-c2ccc(Br)cc2)s1)C1CC1 ZINC000764681041 1053266680 /nfs/dbraw/zinc/26/66/80/1053266680.db2.gz DKXNSNRZRHTJND-UHFFFAOYSA-N 1 1 347.281 4.170 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1 ZINC001195279963 1053359069 /nfs/dbraw/zinc/35/90/69/1053359069.db2.gz QJXAFPPQYKUVNI-OALUTQOASA-N 1 1 326.484 4.143 20 30 EIEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001195376918 1053392859 /nfs/dbraw/zinc/39/28/59/1053392859.db2.gz RFZQTEQMCHECQX-FQEVSTJZSA-N 1 1 347.462 4.360 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000615438852 1053455069 /nfs/dbraw/zinc/45/50/69/1053455069.db2.gz FVCWQPCUIJEDHW-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000615438852 1053455079 /nfs/dbraw/zinc/45/50/79/1053455079.db2.gz FVCWQPCUIJEDHW-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000615438852 1053455085 /nfs/dbraw/zinc/45/50/85/1053455085.db2.gz FVCWQPCUIJEDHW-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000615438849 1053456405 /nfs/dbraw/zinc/45/64/05/1053456405.db2.gz FVCWQPCUIJEDHW-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000615438849 1053456414 /nfs/dbraw/zinc/45/64/14/1053456414.db2.gz FVCWQPCUIJEDHW-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000615438849 1053456416 /nfs/dbraw/zinc/45/64/16/1053456416.db2.gz FVCWQPCUIJEDHW-OALUTQOASA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000865462844 1053514231 /nfs/dbraw/zinc/51/42/31/1053514231.db2.gz CETHUENHRJMPFD-OAHLLOKOSA-N 1 1 343.496 4.411 20 30 EIEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000852102325 1053551059 /nfs/dbraw/zinc/55/10/59/1053551059.db2.gz LJFGAWXCSMMENM-MGPLVRAMSA-N 1 1 338.238 4.496 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000852326214 1053568641 /nfs/dbraw/zinc/56/86/41/1053568641.db2.gz MJTLDUVNBJYCJT-JOCHJYFZSA-N 1 1 327.431 4.292 20 30 EIEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000852326214 1053568657 /nfs/dbraw/zinc/56/86/57/1053568657.db2.gz MJTLDUVNBJYCJT-JOCHJYFZSA-N 1 1 327.431 4.292 20 30 EIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047900 1053571289 /nfs/dbraw/zinc/57/12/89/1053571289.db2.gz HUYGPEDIRHSKQP-HKUYNNGSSA-N 1 1 348.531 4.147 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC001196321985 1053638807 /nfs/dbraw/zinc/63/88/07/1053638807.db2.gz HAXJUARFLBHYKN-SOUVJXGZSA-N 1 1 348.874 4.167 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cc(F)cc(Br)c1 ZINC001196330489 1053642102 /nfs/dbraw/zinc/64/21/02/1053642102.db2.gz ZKQVQFRXRSAGTD-GASCZTMLSA-N 1 1 340.236 4.150 20 30 EIEDMO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1nc2ccccc2[nH]1 ZINC000866241943 1053660927 /nfs/dbraw/zinc/66/09/27/1053660927.db2.gz IGGGCCWVJUJNDA-FZKQIMNGSA-N 1 1 334.423 4.188 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866245036 1053662526 /nfs/dbraw/zinc/66/25/26/1053662526.db2.gz HIIVBBDYYQQFEH-BDJLRTHQSA-N 1 1 328.412 4.291 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921535794 1053729105 /nfs/dbraw/zinc/72/91/05/1053729105.db2.gz MARGOUXGGMNAQA-INIZCTEOSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001197002695 1053820272 /nfs/dbraw/zinc/82/02/72/1053820272.db2.gz CNRNNWATYMGPTR-LJQANCHMSA-N 1 1 343.833 4.343 20 30 EIEDMO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC001197002695 1053820273 /nfs/dbraw/zinc/82/02/73/1053820273.db2.gz CNRNNWATYMGPTR-LJQANCHMSA-N 1 1 343.833 4.343 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000543731210 1053864378 /nfs/dbraw/zinc/86/43/78/1053864378.db2.gz WRHQOKOIDUQLME-SJFMBGHLSA-N 1 1 345.446 4.065 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000543731207 1053864781 /nfs/dbraw/zinc/86/47/81/1053864781.db2.gz WRHQOKOIDUQLME-CBUFDYBVSA-N 1 1 345.446 4.065 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001197599921 1053952265 /nfs/dbraw/zinc/95/22/65/1053952265.db2.gz ASKSTBQTCCSXAV-CVEARBPZSA-N 1 1 336.545 4.265 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC001197599925 1053952501 /nfs/dbraw/zinc/95/25/01/1053952501.db2.gz ASKSTBQTCCSXAV-JKSUJKDBSA-N 1 1 336.545 4.265 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OCc2cccnc2)cc1 ZINC001198195506 1054101712 /nfs/dbraw/zinc/10/17/12/1054101712.db2.gz ZGIQYHOMMDUOAG-UHFFFAOYSA-N 1 1 349.459 4.226 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198242009 1054108438 /nfs/dbraw/zinc/10/84/38/1054108438.db2.gz PKAOCJPLYDBQSZ-JOCHJYFZSA-N 1 1 330.431 4.193 20 30 EIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC12CCCCCC2 ZINC001198743026 1054240339 /nfs/dbraw/zinc/24/03/39/1054240339.db2.gz QTMNLNDFOVEJDN-UHFFFAOYSA-N 1 1 331.485 4.137 20 30 EIEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC001199162045 1054357664 /nfs/dbraw/zinc/35/76/64/1054357664.db2.gz NXZQILUBGXPIBF-HXUWFJFHSA-N 1 1 329.532 4.334 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011544 1054395160 /nfs/dbraw/zinc/39/51/60/1054395160.db2.gz WAAYMEZDOKOWLI-SFHVURJKSA-N 1 1 327.472 4.132 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017339 1054401967 /nfs/dbraw/zinc/40/19/67/1054401967.db2.gz NPKYQVQOYRRTCM-KKSFZXQISA-N 1 1 347.462 4.435 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052185 1054410998 /nfs/dbraw/zinc/41/09/98/1054410998.db2.gz UYTXJPFFSGZINQ-YWZLYKJASA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCCc2ccccc2Cl)no1 ZINC000872176182 1054420357 /nfs/dbraw/zinc/42/03/57/1054420357.db2.gz WKPPFXOMDKGJID-CYBMUJFWSA-N 1 1 326.227 4.041 20 30 EIEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000858128788 1054420598 /nfs/dbraw/zinc/42/05/98/1054420598.db2.gz BKSYPQGGNIRTTM-UHFFFAOYSA-N 1 1 346.427 4.004 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000872182614 1054423601 /nfs/dbraw/zinc/42/36/01/1054423601.db2.gz XYZMGSZDTKYPJE-AWEZNQCLSA-N 1 1 335.810 4.211 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2c(F)cccc2Cl)cc(OC)c1O ZINC001199851493 1054478938 /nfs/dbraw/zinc/47/89/38/1054478938.db2.gz QOCHGNNEBSGEQC-UHFFFAOYSA-N 1 1 335.806 4.212 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000125167879 1054732940 /nfs/dbraw/zinc/73/29/40/1054732940.db2.gz ILIFWEYVNNRVLX-AWEZNQCLSA-N 1 1 346.434 4.354 20 30 EIEDMO N#CCOc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000860201904 1054786925 /nfs/dbraw/zinc/78/69/25/1054786925.db2.gz MBMXVEDKNMQQGX-UHFFFAOYSA-N 1 1 328.362 4.036 20 30 EIEDMO C[C@@]12CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]1C2(Cl)Cl ZINC000825824690 1054824055 /nfs/dbraw/zinc/82/40/55/1054824055.db2.gz MNQAEQQJQPIIHQ-JKSUJKDBSA-N 1 1 335.278 4.257 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000347625101 1054827988 /nfs/dbraw/zinc/82/79/88/1054827988.db2.gz OACZLHBNEJRRNN-KRWDZBQOSA-N 1 1 335.234 4.078 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001201762913 1054901421 /nfs/dbraw/zinc/90/14/21/1054901421.db2.gz ZFFXSLCVHYSPOY-OAQYLSRUSA-N 1 1 343.515 4.009 20 30 EIEDMO CCCCCCC[N@@H+]1Cc2cnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001201777276 1054917189 /nfs/dbraw/zinc/91/71/89/1054917189.db2.gz VAVMWOVPOMJHJX-LJQANCHMSA-N 1 1 333.520 4.199 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201852896 1054922360 /nfs/dbraw/zinc/92/23/60/1054922360.db2.gz QVBDNGHPUJXPCP-IBGZPJMESA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201838949 1054930634 /nfs/dbraw/zinc/93/06/34/1054930634.db2.gz GQZOQTPGNHUUFK-UHFFFAOYSA-N 1 1 335.492 4.016 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCCCCCCC ZINC001201839031 1054931747 /nfs/dbraw/zinc/93/17/47/1054931747.db2.gz IAYHFXSREIISIV-LJQANCHMSA-N 1 1 348.535 4.150 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCCCCCCCC ZINC001201839031 1054931757 /nfs/dbraw/zinc/93/17/57/1054931757.db2.gz IAYHFXSREIISIV-LJQANCHMSA-N 1 1 348.535 4.150 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201846303 1054932984 /nfs/dbraw/zinc/93/29/84/1054932984.db2.gz HJJULOASLJJWFW-UHFFFAOYSA-N 1 1 347.547 4.455 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201846841 1054933217 /nfs/dbraw/zinc/93/32/17/1054933217.db2.gz NFTXTVBWYIPGPW-UHFFFAOYSA-N 1 1 347.503 4.019 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201846841 1054933226 /nfs/dbraw/zinc/93/32/26/1054933226.db2.gz NFTXTVBWYIPGPW-UHFFFAOYSA-N 1 1 347.503 4.019 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001201840540 1054933642 /nfs/dbraw/zinc/93/36/42/1054933642.db2.gz ZQZYSKSQFPSMRO-MRXNPFEDSA-N 1 1 332.463 4.216 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000106245360 1054938188 /nfs/dbraw/zinc/93/81/88/1054938188.db2.gz IGIWKYYAHGASGC-UHFFFAOYSA-N 1 1 343.298 4.132 20 30 EIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791550 1054959345 /nfs/dbraw/zinc/95/93/45/1054959345.db2.gz MAOAIRZIWFIOGO-AWEZNQCLSA-N 1 1 329.444 4.158 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791550 1054959358 /nfs/dbraw/zinc/95/93/58/1054959358.db2.gz MAOAIRZIWFIOGO-AWEZNQCLSA-N 1 1 329.444 4.158 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000877122872 1055021845 /nfs/dbraw/zinc/02/18/45/1055021845.db2.gz BMICDGHQDLUNTR-UHFFFAOYSA-N 1 1 347.796 4.444 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001137121530 1055068971 /nfs/dbraw/zinc/06/89/71/1055068971.db2.gz PPTDMKGBSMWGFK-IBGZPJMESA-N 1 1 338.426 4.183 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000877523323 1055071221 /nfs/dbraw/zinc/07/12/21/1055071221.db2.gz IBKZPJDQUVCSTE-DLBZAZTESA-N 1 1 331.460 4.032 20 30 EIEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000877523323 1055071232 /nfs/dbraw/zinc/07/12/32/1055071232.db2.gz IBKZPJDQUVCSTE-DLBZAZTESA-N 1 1 331.460 4.032 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000877546065 1055075202 /nfs/dbraw/zinc/07/52/02/1055075202.db2.gz OMBFXPGUCXPYNJ-GFCCVEGCSA-N 1 1 338.263 4.489 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000877661777 1055101065 /nfs/dbraw/zinc/10/10/65/1055101065.db2.gz HGIZUNDIWZTSOZ-MRXNPFEDSA-N 1 1 332.234 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ZINC000878267630 1055224940 /nfs/dbraw/zinc/22/49/40/1055224940.db2.gz CSXNVENAWFACBN-IERDGZPVSA-N 1 1 336.435 4.246 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405588 1055295885 /nfs/dbraw/zinc/29/58/85/1055295885.db2.gz IHBRZFCKTOVZGA-GGAORHGYSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000878574877 1055347811 /nfs/dbraw/zinc/34/78/11/1055347811.db2.gz VASXXKLKDUTFMM-HSZRJFAPSA-N 1 1 344.458 4.216 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273358714 1055782541 /nfs/dbraw/zinc/78/25/41/1055782541.db2.gz CHPCYEKXEIHZPP-YJBOKZPZSA-N 1 1 330.428 4.111 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000301405270 1055932828 /nfs/dbraw/zinc/93/28/28/1055932828.db2.gz GDIMMULOIDHUCX-UGSOOPFHSA-N 1 1 329.444 4.254 20 30 EIEDMO Cc1ccc(CNc2c(Cl)cccc2C#N)c(N2CCCC2)[nH+]1 ZINC000302053352 1056012238 /nfs/dbraw/zinc/01/22/38/1056012238.db2.gz PHWKNUCQQAHOFO-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087997 1056017340 /nfs/dbraw/zinc/01/73/40/1056017340.db2.gz ZUCAUICHPULNNJ-HOTGVXAUSA-N 1 1 331.891 4.302 20 30 EIEDMO N#CCC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000542865904 1056369245 /nfs/dbraw/zinc/36/92/45/1056369245.db2.gz XIEKKUMWTCVJCZ-UHFFFAOYSA-N 1 1 330.229 4.127 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1F ZINC000554834843 1056376532 /nfs/dbraw/zinc/37/65/32/1056376532.db2.gz KQLJBBCTWKZKFA-AWEZNQCLSA-N 1 1 326.337 4.252 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1F ZINC000554834843 1056376546 /nfs/dbraw/zinc/37/65/46/1056376546.db2.gz KQLJBBCTWKZKFA-AWEZNQCLSA-N 1 1 326.337 4.252 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000123244683 1056414666 /nfs/dbraw/zinc/41/46/66/1056414666.db2.gz KMAMROGSBRLIBA-QGZVFWFLSA-N 1 1 335.451 4.278 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCCCC2)cc1Cl ZINC000110979964 1056725213 /nfs/dbraw/zinc/72/52/13/1056725213.db2.gz NCPVCESVUBCNHW-UHFFFAOYSA-N 1 1 345.874 4.337 20 30 EIEDMO Cn1cc[nH+]c1C[C@@H](/N=C/c1cc(Cl)ccc1O)c1ccccc1 ZINC000743045044 1058849898 /nfs/dbraw/zinc/84/98/98/1058849898.db2.gz XCEGVVINRMXSCL-NEIHUHTASA-N 1 1 339.826 4.182 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743261774 1058905176 /nfs/dbraw/zinc/90/51/76/1058905176.db2.gz KGBDAMFOEDOQMY-OAQYLSRUSA-N 1 1 325.452 4.034 20 30 EIEDMO CC(C)c1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000746115403 1060029076 /nfs/dbraw/zinc/02/90/76/1060029076.db2.gz SZDMJYNKYQVUSJ-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO CC(C)c1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000746115403 1060029100 /nfs/dbraw/zinc/02/91/00/1060029100.db2.gz SZDMJYNKYQVUSJ-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000746312476 1060110015 /nfs/dbraw/zinc/11/00/15/1060110015.db2.gz VHMGSMSIMMMQJU-QZTJIDSGSA-N 1 1 325.541 4.109 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cncc(OC)c2)cc1 ZINC001169269829 1060754662 /nfs/dbraw/zinc/75/46/62/1060754662.db2.gz HNFKZNRSDUKANS-OAQYLSRUSA-N 1 1 337.467 4.068 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC(C)(C)C2)c1 ZINC001169301539 1060760930 /nfs/dbraw/zinc/76/09/30/1060760930.db2.gz VTWCRIHRMMHEGE-SFHVURJKSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169352141 1060798379 /nfs/dbraw/zinc/79/83/79/1060798379.db2.gz FRQYGZPFGPPWNM-UHFFFAOYSA-N 1 1 335.451 4.261 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC2(C(=O)OCC)CCC2)cc1 ZINC001169561275 1060857839 /nfs/dbraw/zinc/85/78/39/1060857839.db2.gz IWXAHJXZXJVHAJ-IBGZPJMESA-N 1 1 342.483 4.155 20 30 EIEDMO C=C(Br)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000729682054 1032131175 /nfs/dbraw/zinc/13/11/75/1032131175.db2.gz TYOVGVBKFSMBHQ-UHFFFAOYSA-N 1 1 349.055 4.267 20 30 EIEDMO CC1CC[NH+](Cc2cccc(CNCc3ccc(C#N)cc3)c2)CC1 ZINC000105459571 1032245933 /nfs/dbraw/zinc/24/59/33/1032245933.db2.gz IHGPFNRDDOQZTN-UHFFFAOYSA-N 1 1 333.479 4.080 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000054340188 1032280828 /nfs/dbraw/zinc/28/08/28/1032280828.db2.gz PJOBWUBIDNQDBV-OAHLLOKOSA-N 1 1 339.414 4.109 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(C)cc1 ZINC000532902123 1032379899 /nfs/dbraw/zinc/37/98/99/1032379899.db2.gz WDEYZAQBVKTGCZ-UHFFFAOYSA-N 1 1 341.480 4.169 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000174818443 1032409408 /nfs/dbraw/zinc/40/94/08/1032409408.db2.gz SGFGIAUKWLEHHI-UHFFFAOYSA-N 1 1 325.456 4.104 20 30 EIEDMO C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000245717237 1032420191 /nfs/dbraw/zinc/42/01/91/1032420191.db2.gz GULLAYYWFJDCMY-BVYCBKJFSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000245717237 1032420198 /nfs/dbraw/zinc/42/01/98/1032420198.db2.gz GULLAYYWFJDCMY-BVYCBKJFSA-N 1 1 333.479 4.284 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(C)CC2)c1 ZINC000302742714 1032503176 /nfs/dbraw/zinc/50/31/76/1032503176.db2.gz SHRXFJQIIVPZAH-UHFFFAOYSA-N 1 1 341.499 4.061 20 30 EIEDMO CCCC[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533222356 1032551368 /nfs/dbraw/zinc/55/13/68/1032551368.db2.gz QMNFNELATBUFID-UHFFFAOYSA-N 1 1 338.451 4.378 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288562 1032599304 /nfs/dbraw/zinc/59/93/04/1032599304.db2.gz OPRQJBMBLRPQRY-IAGOWNOFSA-N 1 1 334.529 4.478 20 30 EIEDMO CCC(CC)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000533406367 1032737293 /nfs/dbraw/zinc/73/72/93/1032737293.db2.gz WHYMIVZYJVYVSA-UHFFFAOYSA-N 1 1 337.467 4.391 20 30 EIEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427857 1032745378 /nfs/dbraw/zinc/74/53/78/1032745378.db2.gz NSKLLILUAIZZTG-MAUKXSAKSA-N 1 1 339.401 4.072 20 30 EIEDMO Cc1ccc(C(=O)C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000533450961 1032766363 /nfs/dbraw/zinc/76/63/63/1032766363.db2.gz JXFCOPRXACOQGS-UHFFFAOYSA-N 1 1 349.449 4.389 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000579721447 1018814248 /nfs/dbraw/zinc/81/42/48/1018814248.db2.gz SSYLDSKELSUKRD-KRWDZBQOSA-N 1 1 337.467 4.245 20 30 EIEDMO N#CCCC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000399505426 1018910839 /nfs/dbraw/zinc/91/08/39/1018910839.db2.gz ZDVJLFWIIMBWJQ-UHFFFAOYSA-N 1 1 325.225 4.104 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)ccc1OC ZINC000430187477 1019055204 /nfs/dbraw/zinc/05/52/04/1019055204.db2.gz CCVFRLGLYSPMBW-QGZVFWFLSA-N 1 1 335.513 4.225 20 30 EIEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428058 1019672510 /nfs/dbraw/zinc/67/25/10/1019672510.db2.gz BTFDUYHQJMHZIP-GFCCVEGCSA-N 1 1 345.258 4.309 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274816886 1019755425 /nfs/dbraw/zinc/75/54/25/1019755425.db2.gz ZJHHKFHHHPXGQA-QWFCFKBJSA-N 1 1 349.478 4.300 20 30 EIEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2ccc(C(=O)NCCC)cc2)C1 ZINC001209432645 1020329701 /nfs/dbraw/zinc/32/97/01/1020329701.db2.gz HVLHGXMWGSKULC-FQEVSTJZSA-N 1 1 344.499 4.026 20 30 EIEDMO C=CCCCCCC[N@@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC001209438515 1020343673 /nfs/dbraw/zinc/34/36/73/1020343673.db2.gz MTSATRBSMWWQCK-UHFFFAOYSA-N 1 1 338.499 4.015 20 30 EIEDMO C=CCCCCCC[N@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC001209438515 1020343689 /nfs/dbraw/zinc/34/36/89/1020343689.db2.gz MTSATRBSMWWQCK-UHFFFAOYSA-N 1 1 338.499 4.015 20 30 EIEDMO C=CCCCCCCC[N@H+]1CCc2ncn(C)c2[C@H]1COCC=C ZINC001209439715 1020343930 /nfs/dbraw/zinc/34/39/30/1020343930.db2.gz WPQIEXXQTOFVIP-LJQANCHMSA-N 1 1 331.504 4.049 20 30 EIEDMO C=CCCCCCCC[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001209439479 1020346402 /nfs/dbraw/zinc/34/64/02/1020346402.db2.gz RBSQTNZTWUSSDA-IBGZPJMESA-N 1 1 335.513 4.061 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001209439479 1020346416 /nfs/dbraw/zinc/34/64/16/1020346416.db2.gz RBSQTNZTWUSSDA-IBGZPJMESA-N 1 1 335.513 4.061 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC001167206168 1020547776 /nfs/dbraw/zinc/54/77/76/1020547776.db2.gz MJGPZSJIDPPTQS-GOSISDBHSA-N 1 1 345.364 4.426 20 30 EIEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC001167205408 1020549352 /nfs/dbraw/zinc/54/93/52/1020549352.db2.gz DWDHCCRHJRYAPQ-UHFFFAOYSA-N 1 1 330.378 4.490 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167247879 1020666453 /nfs/dbraw/zinc/66/64/53/1020666453.db2.gz GCIGFIBULGCUSY-IRXDYDNUSA-N 1 1 340.389 4.269 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609595 1020704369 /nfs/dbraw/zinc/70/43/69/1020704369.db2.gz BCANKNIHVFTOEY-RTBURBONSA-N 1 1 348.531 4.147 20 30 EIEDMO COc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285964 1020851560 /nfs/dbraw/zinc/85/15/60/1020851560.db2.gz DFGLWDRZGUHHAA-GOSISDBHSA-N 1 1 325.839 4.190 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1C ZINC000375611018 1020900446 /nfs/dbraw/zinc/90/04/46/1020900446.db2.gz IAMFXCCJVOBGFX-IBGZPJMESA-N 1 1 342.483 4.241 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1C ZINC000375611020 1020900468 /nfs/dbraw/zinc/90/04/68/1020900468.db2.gz IAMFXCCJVOBGFX-LJQANCHMSA-N 1 1 342.483 4.241 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ccc1OC ZINC000512506186 1032940495 /nfs/dbraw/zinc/94/04/95/1032940495.db2.gz IDWJOOGTKRFXSY-UHFFFAOYSA-N 1 1 327.472 4.359 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ccc1OC ZINC000512506186 1032940518 /nfs/dbraw/zinc/94/05/18/1032940518.db2.gz IDWJOOGTKRFXSY-UHFFFAOYSA-N 1 1 327.472 4.359 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCC1(C#N)CCOCC1)CCC2 ZINC000375612613 1020924984 /nfs/dbraw/zinc/92/49/84/1020924984.db2.gz NSWPKDLGHKXOIX-INIZCTEOSA-N 1 1 347.528 4.115 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610359264 1021458074 /nfs/dbraw/zinc/45/80/74/1021458074.db2.gz HNDLROQXGFHXLG-KRWDZBQOSA-N 1 1 349.478 4.281 20 30 EIEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379670621 1021868647 /nfs/dbraw/zinc/86/86/47/1021868647.db2.gz JFBAKANMQLRWIK-HKUYNNGSSA-N 1 1 334.467 4.035 20 30 EIEDMO FC(F)(F)SCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001167387187 1021928261 /nfs/dbraw/zinc/92/82/61/1021928261.db2.gz PQZPDCSZDAEYIO-UHFFFAOYSA-N 1 1 335.235 4.056 20 30 EIEDMO FC(F)(F)SCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001167387187 1021928272 /nfs/dbraw/zinc/92/82/72/1021928272.db2.gz PQZPDCSZDAEYIO-UHFFFAOYSA-N 1 1 335.235 4.056 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC001167412532 1022107531 /nfs/dbraw/zinc/10/75/31/1022107531.db2.gz MQICIIDJHDIMLW-FOIQADDNSA-N 1 1 338.476 4.245 20 30 EIEDMO C#CC[N@@H+](CC1=CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420624 1022242824 /nfs/dbraw/zinc/24/28/24/1022242824.db2.gz HLSCNWGFFUKDJC-KRWDZBQOSA-N 1 1 346.268 4.318 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046772 1022422197 /nfs/dbraw/zinc/42/21/97/1022422197.db2.gz VUVHAGQJJRYXQE-ZDUSSCGKSA-N 1 1 346.377 4.361 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000181012787 1022575267 /nfs/dbraw/zinc/57/52/67/1022575267.db2.gz WINFZUHJXVQTPG-LBPRGKRZSA-N 1 1 334.341 4.027 20 30 EIEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954083 1022620217 /nfs/dbraw/zinc/62/02/17/1022620217.db2.gz POQOEVIMKKWVMC-WBVHZDCISA-N 1 1 330.497 4.438 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N(C)C ZINC000512541980 1033071607 /nfs/dbraw/zinc/07/16/07/1033071607.db2.gz JRDXRSJGWUECGD-UHFFFAOYSA-N 1 1 326.488 4.108 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N(C)C ZINC000512541980 1033071623 /nfs/dbraw/zinc/07/16/23/1033071623.db2.gz JRDXRSJGWUECGD-UHFFFAOYSA-N 1 1 326.488 4.108 20 30 EIEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919624 1022746938 /nfs/dbraw/zinc/74/69/38/1022746938.db2.gz SGWCZGGVRZPUKD-JQVVWYNYSA-N 1 1 348.490 4.298 20 30 EIEDMO C=C(Br)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000309539478 1022811913 /nfs/dbraw/zinc/81/19/13/1022811913.db2.gz GBFBUQUDUGBVKG-UHFFFAOYSA-N 1 1 342.034 4.318 20 30 EIEDMO Cc1cccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000648381284 1022842239 /nfs/dbraw/zinc/84/22/39/1022842239.db2.gz KSSHZEWNRVHIDK-GHMZBOCLSA-N 1 1 329.259 4.307 20 30 EIEDMO C=CCCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000581198791 1022868698 /nfs/dbraw/zinc/86/86/98/1022868698.db2.gz XVRORNJBDGQBMX-WRWLIDTKSA-N 1 1 329.488 4.120 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183830775 1022881706 /nfs/dbraw/zinc/88/17/06/1022881706.db2.gz NIECJRKOXSEBRE-KRWDZBQOSA-N 1 1 330.435 4.097 20 30 EIEDMO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(OCC#N)cc1 ZINC000175992592 1022919762 /nfs/dbraw/zinc/91/97/62/1022919762.db2.gz WMUAHAPRWGIIOC-OAHLLOKOSA-N 1 1 333.391 4.095 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539428 1022922415 /nfs/dbraw/zinc/92/24/15/1022922415.db2.gz HWEMPYMAIJFBKT-GFCCVEGCSA-N 1 1 344.381 4.031 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539428 1022922420 /nfs/dbraw/zinc/92/24/20/1022922420.db2.gz HWEMPYMAIJFBKT-GFCCVEGCSA-N 1 1 344.381 4.031 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC001167452366 1022929823 /nfs/dbraw/zinc/92/98/23/1022929823.db2.gz BJEHOENCDFCJSC-QGZVFWFLSA-N 1 1 347.462 4.360 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)c1cccc(C#N)c1 ZINC000189957510 1023183270 /nfs/dbraw/zinc/18/32/70/1023183270.db2.gz LTFNZCKAUNHNSX-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)c1cccc(C#N)c1 ZINC000189957510 1023183276 /nfs/dbraw/zinc/18/32/76/1023183276.db2.gz LTFNZCKAUNHNSX-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000589738935 1023204025 /nfs/dbraw/zinc/20/40/25/1023204025.db2.gz FYZFVYGVHYZFMD-IAGOWNOFSA-N 1 1 345.487 4.026 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)cc1OC ZINC000581456480 1023234543 /nfs/dbraw/zinc/23/45/43/1023234543.db2.gz HFCAFUNTZIOVAY-INIZCTEOSA-N 1 1 326.440 4.238 20 30 EIEDMO COc1ccccc1CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167464069 1023235527 /nfs/dbraw/zinc/23/55/27/1023235527.db2.gz FKUPGXZBVIUVIN-RTWAWAEBSA-N 1 1 334.463 4.400 20 30 EIEDMO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCC(F)(F)F ZINC000584727952 1023244582 /nfs/dbraw/zinc/24/45/82/1023244582.db2.gz ZAKBWXSOJHFJLG-UHFFFAOYSA-N 1 1 344.377 4.008 20 30 EIEDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCC(F)(F)F ZINC000584727952 1023244595 /nfs/dbraw/zinc/24/45/95/1023244595.db2.gz ZAKBWXSOJHFJLG-UHFFFAOYSA-N 1 1 344.377 4.008 20 30 EIEDMO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccccc3)nc21 ZINC000051123744 1023446197 /nfs/dbraw/zinc/44/61/97/1023446197.db2.gz ZXWWSERVGMWQTL-UHFFFAOYSA-N 1 1 341.436 4.025 20 30 EIEDMO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccccc3)nc21 ZINC000051123744 1023446207 /nfs/dbraw/zinc/44/62/07/1023446207.db2.gz ZXWWSERVGMWQTL-UHFFFAOYSA-N 1 1 341.436 4.025 20 30 EIEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC000064988306 1023450104 /nfs/dbraw/zinc/45/01/04/1023450104.db2.gz FSCVDMJQHFWWGH-UHFFFAOYSA-N 1 1 346.471 4.067 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC000472752438 1023502263 /nfs/dbraw/zinc/50/22/63/1023502263.db2.gz PNRQROKEMWYWOW-JOCHJYFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757318 1023509004 /nfs/dbraw/zinc/50/90/04/1023509004.db2.gz XOQHLGFNYZHSEC-NRFANRHFSA-N 1 1 338.426 4.027 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2(C3CCOCC3)CC2)cc1 ZINC001167748529 1023572439 /nfs/dbraw/zinc/57/24/39/1023572439.db2.gz KURSLWRGNADABB-HXUWFJFHSA-N 1 1 326.484 4.381 20 30 EIEDMO CCOC(=O)C1([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCCCC1 ZINC001167759703 1023730988 /nfs/dbraw/zinc/73/09/88/1023730988.db2.gz LLUBIQHLKFWEOQ-UHFFFAOYSA-N 1 1 342.483 4.186 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162703585 1023733027 /nfs/dbraw/zinc/73/30/27/1023733027.db2.gz YJSVXGNUHLTUSM-GOSISDBHSA-N 1 1 325.481 4.435 20 30 EIEDMO CCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511669254 1023828665 /nfs/dbraw/zinc/82/86/65/1023828665.db2.gz XIRFCCWZFOGPLX-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511669254 1023828668 /nfs/dbraw/zinc/82/86/68/1023828668.db2.gz XIRFCCWZFOGPLX-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511669254 1023828671 /nfs/dbraw/zinc/82/86/71/1023828671.db2.gz XIRFCCWZFOGPLX-XMSQKQJNSA-N 1 1 333.479 4.216 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000341578572 1023884118 /nfs/dbraw/zinc/88/41/18/1023884118.db2.gz PBTGXOYNGPEJIR-HNNXBMFYSA-N 1 1 348.537 4.153 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000341578572 1023884119 /nfs/dbraw/zinc/88/41/19/1023884119.db2.gz PBTGXOYNGPEJIR-HNNXBMFYSA-N 1 1 348.537 4.153 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379096 1024083467 /nfs/dbraw/zinc/08/34/67/1024083467.db2.gz STGFPZBFJZFPDL-UONOGXRCSA-N 1 1 340.389 4.321 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)Cc1ccc(OC)cc1 ZINC000510629183 1024108867 /nfs/dbraw/zinc/10/88/67/1024108867.db2.gz KSYHBOUORWPSMJ-UHFFFAOYSA-N 1 1 327.472 4.107 20 30 EIEDMO C=CC[N@H+](Cc1c(C)nn(CCC)c1C)Cc1ccc(OC)cc1 ZINC000510629183 1024108880 /nfs/dbraw/zinc/10/88/80/1024108880.db2.gz KSYHBOUORWPSMJ-UHFFFAOYSA-N 1 1 327.472 4.107 20 30 EIEDMO CCn1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21 ZINC000473129735 1024334780 /nfs/dbraw/zinc/33/47/80/1024334780.db2.gz YIPDAKDXSWGKNQ-UHFFFAOYSA-N 1 1 330.435 4.092 20 30 EIEDMO CCn1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21 ZINC000473129735 1024334796 /nfs/dbraw/zinc/33/47/96/1024334796.db2.gz YIPDAKDXSWGKNQ-UHFFFAOYSA-N 1 1 330.435 4.092 20 30 EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359090 1024335818 /nfs/dbraw/zinc/33/58/18/1024335818.db2.gz DIUTWDXOHGJCFQ-NSHGMRRFSA-N 1 1 339.527 4.325 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181811029 1024492255 /nfs/dbraw/zinc/49/22/55/1024492255.db2.gz MXHSOBDEAZKEAB-IYOUNJFTSA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181811029 1024492292 /nfs/dbraw/zinc/49/22/92/1024492292.db2.gz MXHSOBDEAZKEAB-IYOUNJFTSA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181811029 1024492302 /nfs/dbraw/zinc/49/23/02/1024492302.db2.gz MXHSOBDEAZKEAB-IYOUNJFTSA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181811029 1024492323 /nfs/dbraw/zinc/49/23/23/1024492323.db2.gz MXHSOBDEAZKEAB-IYOUNJFTSA-N 1 1 345.537 4.415 20 30 EIEDMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341735672 1024533781 /nfs/dbraw/zinc/53/37/81/1024533781.db2.gz WYGXJXIGQNAWDO-OAHLLOKOSA-N 1 1 332.407 4.076 20 30 EIEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1cccc(C)c1 ZINC000432239492 1024707065 /nfs/dbraw/zinc/70/70/65/1024707065.db2.gz DJCJHYXZUURUSV-QGZVFWFLSA-N 1 1 342.512 4.016 20 30 EIEDMO N#CCC[C@@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1 ZINC000598635939 1024826991 /nfs/dbraw/zinc/82/69/91/1024826991.db2.gz ANBGXBBUUBPQQE-JOCHJYFZSA-N 1 1 344.462 4.260 20 30 EIEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccccc1C(C)(C)C#N ZINC000487375330 1024841105 /nfs/dbraw/zinc/84/11/05/1024841105.db2.gz JQUDEKZAAHWMHL-UHFFFAOYSA-N 1 1 326.415 4.138 20 30 EIEDMO N#Cc1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000535684864 1024883739 /nfs/dbraw/zinc/88/37/39/1024883739.db2.gz BZVRLRZJERIFSA-UHFFFAOYSA-N 1 1 349.453 4.190 20 30 EIEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859512 1025071962 /nfs/dbraw/zinc/07/19/62/1025071962.db2.gz DVCLUKYUTZATHJ-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859512 1025071971 /nfs/dbraw/zinc/07/19/71/1025071971.db2.gz DVCLUKYUTZATHJ-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859512 1025071980 /nfs/dbraw/zinc/07/19/80/1025071980.db2.gz DVCLUKYUTZATHJ-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610859456 1025072763 /nfs/dbraw/zinc/07/27/63/1025072763.db2.gz NOPNHCIDSZKCOD-NRFANRHFSA-N 1 1 334.463 4.451 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000343902570 1025205033 /nfs/dbraw/zinc/20/50/33/1025205033.db2.gz CASJXLWTPXHERK-GOSISDBHSA-N 1 1 347.890 4.019 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000343902570 1025205051 /nfs/dbraw/zinc/20/50/51/1025205051.db2.gz CASJXLWTPXHERK-GOSISDBHSA-N 1 1 347.890 4.019 20 30 EIEDMO N#Cc1cc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)ccn1 ZINC000610991667 1025214400 /nfs/dbraw/zinc/21/44/00/1025214400.db2.gz VKGFTHNEILAKTN-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000610990219 1025222618 /nfs/dbraw/zinc/22/26/18/1025222618.db2.gz SXGIOBYHLYTQMW-UHFFFAOYSA-N 1 1 327.291 4.199 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000610990219 1025222631 /nfs/dbraw/zinc/22/26/31/1025222631.db2.gz SXGIOBYHLYTQMW-UHFFFAOYSA-N 1 1 327.291 4.199 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC(F)F)c1 ZINC000065235132 1025258438 /nfs/dbraw/zinc/25/84/38/1025258438.db2.gz RQDNNRATMBFAJZ-UHFFFAOYSA-N 1 1 333.378 4.485 20 30 EIEDMO C=CCOCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000549824240 1033273066 /nfs/dbraw/zinc/27/30/66/1033273066.db2.gz JXWKXMRECSIUKR-CQSZACIVSA-N 1 1 342.302 4.120 20 30 EIEDMO CC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)cc1 ZINC000159351590 1025347186 /nfs/dbraw/zinc/34/71/86/1025347186.db2.gz BXEDIGPGUZSBTL-UHFFFAOYSA-N 1 1 347.418 4.244 20 30 EIEDMO CC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)cc1 ZINC000159351590 1025347207 /nfs/dbraw/zinc/34/72/07/1025347207.db2.gz BXEDIGPGUZSBTL-UHFFFAOYSA-N 1 1 347.418 4.244 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C2CC2)cc1 ZINC000506725634 1025487886 /nfs/dbraw/zinc/48/78/86/1025487886.db2.gz IBFJXIZJJXXZOO-AWEZNQCLSA-N 1 1 326.465 4.429 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426554839 1025568821 /nfs/dbraw/zinc/56/88/21/1025568821.db2.gz XHYACHOMXURXOL-HNNXBMFYSA-N 1 1 329.425 4.259 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426554839 1025568835 /nfs/dbraw/zinc/56/88/35/1025568835.db2.gz XHYACHOMXURXOL-HNNXBMFYSA-N 1 1 329.425 4.259 20 30 EIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000054011213 1025671577 /nfs/dbraw/zinc/67/15/77/1025671577.db2.gz FZUZSXKWOQGLJB-UHFFFAOYSA-N 1 1 344.418 4.179 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719660 1025803089 /nfs/dbraw/zinc/80/30/89/1025803089.db2.gz ICIYTZZVTHWMDJ-UWVAXJGDSA-N 1 1 345.918 4.491 20 30 EIEDMO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000506816189 1025811071 /nfs/dbraw/zinc/81/10/71/1025811071.db2.gz AZDSMLBEYNAKAN-YBEGLDIGSA-N 1 1 338.426 4.379 20 30 EIEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000506816189 1025811072 /nfs/dbraw/zinc/81/10/72/1025811072.db2.gz AZDSMLBEYNAKAN-YBEGLDIGSA-N 1 1 338.426 4.379 20 30 EIEDMO N#Cc1cccc(OCC[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000071949012 1025858095 /nfs/dbraw/zinc/85/80/95/1025858095.db2.gz UHVWHIPBOHLGNV-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000071949012 1025858099 /nfs/dbraw/zinc/85/80/99/1025858099.db2.gz UHVWHIPBOHLGNV-UHFFFAOYSA-N 1 1 338.432 4.294 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cscc2C#N)cc1 ZINC000432400099 1025864673 /nfs/dbraw/zinc/86/46/73/1025864673.db2.gz JMYLDYJHSCYXCQ-AWEZNQCLSA-N 1 1 339.464 4.246 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1)C1CC1 ZINC000512074866 1025887484 /nfs/dbraw/zinc/88/74/84/1025887484.db2.gz HOGYZNNAQVAGOJ-UHFFFAOYSA-N 1 1 333.435 4.103 20 30 EIEDMO CCCCCCCC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000728892201 1025938983 /nfs/dbraw/zinc/93/89/83/1025938983.db2.gz SHTKUCMREGAPRL-GOSISDBHSA-N 1 1 346.515 4.261 20 30 EIEDMO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167969246 1025981567 /nfs/dbraw/zinc/98/15/67/1025981567.db2.gz AUUGPJFIRNSACC-LQCXBHPOSA-N 1 1 337.511 4.250 20 30 EIEDMO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167969246 1025981644 /nfs/dbraw/zinc/98/16/44/1025981644.db2.gz AUUGPJFIRNSACC-LQCXBHPOSA-N 1 1 337.511 4.250 20 30 EIEDMO Cc1ccccc1C1CC([N@@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)C1 ZINC001167539395 1025997497 /nfs/dbraw/zinc/99/74/97/1025997497.db2.gz MGCUMHYUFXYHTO-IRSIHTCSSA-N 1 1 346.474 4.311 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540273 1025998435 /nfs/dbraw/zinc/99/84/35/1025998435.db2.gz YDEWVGKERTUBIR-MOPGFXCFSA-N 1 1 330.447 4.257 20 30 EIEDMO COCC#CC[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC001167543594 1026032222 /nfs/dbraw/zinc/03/22/22/1026032222.db2.gz COZFBOUPVMGLAB-UHFFFAOYSA-N 1 1 337.463 4.222 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073568 1026169088 /nfs/dbraw/zinc/16/90/88/1026169088.db2.gz HGSWCHKKVGOSIT-HNNXBMFYSA-N 1 1 325.843 4.095 20 30 EIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000303673185 1026183174 /nfs/dbraw/zinc/18/31/74/1026183174.db2.gz PQGNOHJDKQFEIU-IBGZPJMESA-N 1 1 338.476 4.036 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(Cl)c1 ZINC000512162353 1026188605 /nfs/dbraw/zinc/18/86/05/1026188605.db2.gz JHMDWKVLFBUZOT-UHFFFAOYSA-N 1 1 335.831 4.012 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(Cl)c1 ZINC000512162353 1026188612 /nfs/dbraw/zinc/18/86/12/1026188612.db2.gz JHMDWKVLFBUZOT-UHFFFAOYSA-N 1 1 335.831 4.012 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000344279254 1026210570 /nfs/dbraw/zinc/21/05/70/1026210570.db2.gz DHMLDHFEWARLSS-UONOGXRCSA-N 1 1 334.448 4.489 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(-c3scnc3C)cc2)CC1 ZINC000657352184 1026226421 /nfs/dbraw/zinc/22/64/21/1026226421.db2.gz DIXRWNRYMSWMIW-UHFFFAOYSA-N 1 1 341.524 4.249 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001167859440 1026294299 /nfs/dbraw/zinc/29/42/99/1026294299.db2.gz ICIBNJDXHVODHU-GOSISDBHSA-N 1 1 325.481 4.449 20 30 EIEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557721 1026295857 /nfs/dbraw/zinc/29/58/57/1026295857.db2.gz GNFXZUGPBLPWFH-VQTJNVASSA-N 1 1 342.389 4.189 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224425 1026354094 /nfs/dbraw/zinc/35/40/94/1026354094.db2.gz DMNMXCMEYHBCFF-NVXWUHKLSA-N 1 1 330.453 4.081 20 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/nfs/dbraw/zinc/99/16/40/1026991640.db2.gz BEHMKFMOIBRBCG-UHFFFAOYSA-N 1 1 327.472 4.094 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2ncc(C)n2C)C(C)(C)C)cc1 ZINC000342779210 1026991645 /nfs/dbraw/zinc/99/16/45/1026991645.db2.gz BEHMKFMOIBRBCG-UHFFFAOYSA-N 1 1 327.472 4.094 20 30 EIEDMO CC[C@H](C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075618218 1027052021 /nfs/dbraw/zinc/05/20/21/1027052021.db2.gz MXSKSURFQVWLOT-INIZCTEOSA-N 1 1 346.434 4.409 20 30 EIEDMO C=CCCCC[N@H+](C)Cc1cc(I)cs1 ZINC001141866849 1027209942 /nfs/dbraw/zinc/20/99/42/1027209942.db2.gz WEWZCMYLVWUUSO-UHFFFAOYSA-N 1 1 335.254 4.141 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000078338439 1027322309 /nfs/dbraw/zinc/32/23/09/1027322309.db2.gz RGMYDAWWHOFBIH-FZKQIMNGSA-N 1 1 329.444 4.254 20 30 EIEDMO C[N@H+]1CCC[C@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000078338076 1027322608 /nfs/dbraw/zinc/32/26/08/1027322608.db2.gz NIOGMOUBBWHYAO-CZUORRHYSA-N 1 1 346.887 4.163 20 30 EIEDMO N#Cc1ccccc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342876506 1027406865 /nfs/dbraw/zinc/40/68/65/1027406865.db2.gz RDAXMKNPXWFPOC-UHFFFAOYSA-N 1 1 345.490 4.046 20 30 EIEDMO N#Cc1ccccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342876506 1027406878 /nfs/dbraw/zinc/40/68/78/1027406878.db2.gz RDAXMKNPXWFPOC-UHFFFAOYSA-N 1 1 345.490 4.046 20 30 EIEDMO N#C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000328684216 1027796162 /nfs/dbraw/zinc/79/61/62/1027796162.db2.gz PONXAOYSMQMWKZ-BUVFEPMLSA-N 1 1 343.430 4.059 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428307487 1027897557 /nfs/dbraw/zinc/89/75/57/1027897557.db2.gz VBBBBXLSARJUOA-KRWDZBQOSA-N 1 1 348.425 4.020 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)cc1OCCCC#N ZINC000353590419 1027910724 /nfs/dbraw/zinc/91/07/24/1027910724.db2.gz FMZRWHVKMVPLNT-GOSISDBHSA-N 1 1 330.472 4.246 20 30 EIEDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000444647800 1027916503 /nfs/dbraw/zinc/91/65/03/1027916503.db2.gz FUUHPBXYAHHQPM-IBGZPJMESA-N 1 1 342.462 4.300 20 30 EIEDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660648 1027930480 /nfs/dbraw/zinc/93/04/80/1027930480.db2.gz KADUHJNXDPNTFL-DENIHFKCSA-N 1 1 348.490 4.122 20 30 EIEDMO CC[C@]1(CO)CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673256 1027957848 /nfs/dbraw/zinc/95/78/48/1027957848.db2.gz HMEHAAFLMUAYMH-JOCHJYFZSA-N 1 1 348.490 4.123 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000444689536 1027975074 /nfs/dbraw/zinc/97/50/74/1027975074.db2.gz NYUWHRXFMFASAE-UHFFFAOYSA-N 1 1 340.467 4.267 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CCCC1(C)C ZINC000444775220 1028057667 /nfs/dbraw/zinc/05/76/67/1028057667.db2.gz MDUDJZHNCDYMAN-LJQANCHMSA-N 1 1 349.540 4.435 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CCCC1(C)C ZINC000444775220 1028057687 /nfs/dbraw/zinc/05/76/87/1028057687.db2.gz MDUDJZHNCDYMAN-LJQANCHMSA-N 1 1 349.540 4.435 20 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/nfs/dbraw/zinc/26/91/69/1028269169.db2.gz GBWMREVCFCMYCA-KRWDZBQOSA-N 1 1 343.471 4.056 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](Cc2ccc(C)s2)C(C)C)c1C#N ZINC000535980505 1028383249 /nfs/dbraw/zinc/38/32/49/1028383249.db2.gz LARJXSMIPSJMMA-UHFFFAOYSA-N 1 1 342.464 4.125 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccc(C)s2)C(C)C)c1C#N ZINC000535980505 1028383267 /nfs/dbraw/zinc/38/32/67/1028383267.db2.gz LARJXSMIPSJMMA-UHFFFAOYSA-N 1 1 342.464 4.125 20 30 EIEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000346378227 1028410353 /nfs/dbraw/zinc/41/03/53/1028410353.db2.gz XYDBZSWVJVGNRM-IBGZPJMESA-N 1 1 336.483 4.332 20 30 EIEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583286541 1028423949 /nfs/dbraw/zinc/42/39/49/1028423949.db2.gz UPLHTFTWHMJGCU-HNNXBMFYSA-N 1 1 347.528 4.387 20 30 EIEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000125984871 1028507896 /nfs/dbraw/zinc/50/78/96/1028507896.db2.gz UOJHVVZRFZOYFM-IBGZPJMESA-N 1 1 332.451 4.192 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCOC)Cc2ccco2)cc1Cl ZINC000508530276 1028543290 /nfs/dbraw/zinc/54/32/90/1028543290.db2.gz WBPCKSWFBJTKBB-UHFFFAOYSA-N 1 1 335.831 4.146 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2ccco2)cc1Cl ZINC000508530276 1028543309 /nfs/dbraw/zinc/54/33/09/1028543309.db2.gz WBPCKSWFBJTKBB-UHFFFAOYSA-N 1 1 335.831 4.146 20 30 EIEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000524148140 1028709061 /nfs/dbraw/zinc/70/90/61/1028709061.db2.gz GKZMFWPYJQRSKS-QUCCMNQESA-N 1 1 343.515 4.210 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000444110018 1028908457 /nfs/dbraw/zinc/90/84/57/1028908457.db2.gz FGHMLURMRRAECR-UHFFFAOYSA-N 1 1 335.451 4.045 20 30 EIEDMO N#CC1(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000343320727 1028943459 /nfs/dbraw/zinc/94/34/59/1028943459.db2.gz MHZDXPRPLTYQQB-UHFFFAOYSA-N 1 1 339.266 4.278 20 30 EIEDMO N#CC1(CCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000281912150 1028950192 /nfs/dbraw/zinc/95/01/92/1028950192.db2.gz GNKWQNUBJCQWKH-QGZVFWFLSA-N 1 1 332.875 4.230 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000281921454 1028963166 /nfs/dbraw/zinc/96/31/66/1028963166.db2.gz HGCXPCZUSNKRRF-APWZRJJASA-N 1 1 330.447 4.309 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000522837755 1028987535 /nfs/dbraw/zinc/98/75/35/1028987535.db2.gz HKRYUJDQIIGJMO-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000522837755 1028987552 /nfs/dbraw/zinc/98/75/52/1028987552.db2.gz HKRYUJDQIIGJMO-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444240197 1029102263 /nfs/dbraw/zinc/10/22/63/1029102263.db2.gz LQLYGVIIDGXTLN-OAQYLSRUSA-N 1 1 349.478 4.148 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000444254834 1029117461 /nfs/dbraw/zinc/11/74/61/1029117461.db2.gz VKJHBTBTZWMSKK-SFHVURJKSA-N 1 1 337.423 4.097 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168058790 1029376937 /nfs/dbraw/zinc/37/69/37/1029376937.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 1 1 325.500 4.054 20 30 EIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329625122 1029537110 /nfs/dbraw/zinc/53/71/10/1029537110.db2.gz OLPAMWOTQVVILM-ZWKOTPCHSA-N 1 1 344.503 4.073 20 30 EIEDMO C[C@H]1CC([NH+]2CCC(C)(C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168064704 1029635413 /nfs/dbraw/zinc/63/54/13/1029635413.db2.gz RIZGQAGXZDUDCP-ROUUACIJSA-N 1 1 325.500 4.054 20 30 EIEDMO C[C@H]1CC(N2CCC(C)(C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064704 1029635418 /nfs/dbraw/zinc/63/54/18/1029635418.db2.gz RIZGQAGXZDUDCP-ROUUACIJSA-N 1 1 325.500 4.054 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000278679392 1029680744 /nfs/dbraw/zinc/68/07/44/1029680744.db2.gz HYMZTTXXJWVAKY-NSHDSACASA-N 1 1 340.370 4.025 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640852 1029720105 /nfs/dbraw/zinc/72/01/05/1029720105.db2.gz FIGDLTJFEBYVJZ-RBUKOAKNSA-N 1 1 330.447 4.257 20 30 EIEDMO CC[N@@H+](Cc1nc2ccccc2nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000054340671 1029739131 /nfs/dbraw/zinc/73/91/31/1029739131.db2.gz CTDXYVPQJMDIBP-MRXNPFEDSA-N 1 1 330.435 4.393 20 30 EIEDMO N#CC(CC[N@H+](CCCCO)C1CC1)(c1ccccc1)c1ccccc1 ZINC000193057805 1029740137 /nfs/dbraw/zinc/74/01/37/1029740137.db2.gz YJOWLWWSIUPHJV-UHFFFAOYSA-N 1 1 348.490 4.123 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000184082210 1030049259 /nfs/dbraw/zinc/04/92/59/1030049259.db2.gz HCKQNIDLYKXQIG-GFCCVEGCSA-N 1 1 335.167 4.250 20 30 EIEDMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000447394887 1030062852 /nfs/dbraw/zinc/06/28/52/1030062852.db2.gz HHYGTGXCMZPDGF-OAHLLOKOSA-N 1 1 341.480 4.302 20 30 EIEDMO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000525948631 1030117414 /nfs/dbraw/zinc/11/74/14/1030117414.db2.gz CKZHCWSWNHHUNN-IAGOWNOFSA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000525948631 1030117426 /nfs/dbraw/zinc/11/74/26/1030117426.db2.gz CKZHCWSWNHHUNN-IAGOWNOFSA-N 1 1 337.442 4.137 20 30 EIEDMO CC[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530813 1030123864 /nfs/dbraw/zinc/12/38/64/1030123864.db2.gz NSOGMKMHTPVQNZ-VXKWHMMOSA-N 1 1 333.479 4.436 20 30 EIEDMO CC[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530811 1030124929 /nfs/dbraw/zinc/12/49/29/1030124929.db2.gz NSOGMKMHTPVQNZ-FGZHOGPDSA-N 1 1 333.479 4.436 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)s1 ZINC000428491417 1030232522 /nfs/dbraw/zinc/23/25/22/1030232522.db2.gz VWYRGEJCDGPDNO-VIFPVBQESA-N 1 1 339.233 4.372 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000526942316 1030358766 /nfs/dbraw/zinc/35/87/66/1030358766.db2.gz JCSVHEBTFJEMMI-RDJZCZTQSA-N 1 1 328.456 4.063 20 30 EIEDMO N#Cc1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000527112134 1030500650 /nfs/dbraw/zinc/50/06/50/1030500650.db2.gz LFZSIBWNUYMFSI-GOSISDBHSA-N 1 1 336.826 4.425 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000527243012 1030572331 /nfs/dbraw/zinc/57/23/31/1030572331.db2.gz CVABFJFWWFPOGD-IBGZPJMESA-N 1 1 338.426 4.498 20 30 EIEDMO CO[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000451563157 1030581008 /nfs/dbraw/zinc/58/10/08/1030581008.db2.gz JSPZVXHFBZLSGV-UGKGYDQZSA-N 1 1 348.490 4.243 20 30 EIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)cc1 ZINC000448379541 1030765969 /nfs/dbraw/zinc/76/59/69/1030765969.db2.gz YXNGGVSBSXHIFF-FQEVSTJZSA-N 1 1 336.435 4.303 20 30 EIEDMO C[C@@]1(C#N)CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000612165028 1031073195 /nfs/dbraw/zinc/07/31/95/1031073195.db2.gz HWEBVCFMPGJLQX-QFIPXVFZSA-N 1 1 334.463 4.418 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000612165028 1031073213 /nfs/dbraw/zinc/07/32/13/1031073213.db2.gz HWEBVCFMPGJLQX-QFIPXVFZSA-N 1 1 334.463 4.418 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167921 1031087281 /nfs/dbraw/zinc/08/72/81/1031087281.db2.gz YYPDSTNILYFCFT-MRXNPFEDSA-N 1 1 326.362 4.100 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167921 1031087299 /nfs/dbraw/zinc/08/72/99/1031087299.db2.gz YYPDSTNILYFCFT-MRXNPFEDSA-N 1 1 326.362 4.100 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000532499293 1031237307 /nfs/dbraw/zinc/23/73/07/1031237307.db2.gz WTUZNLPKJUOFIE-UHFFFAOYSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000188498560 1031287270 /nfs/dbraw/zinc/28/72/70/1031287270.db2.gz FRCJZBHRXCBJCZ-KUHUBIRLSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000188498560 1031287286 /nfs/dbraw/zinc/28/72/86/1031287286.db2.gz FRCJZBHRXCBJCZ-KUHUBIRLSA-N 1 1 326.827 4.346 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000113313302 1031361394 /nfs/dbraw/zinc/36/13/94/1031361394.db2.gz REOAXXBVXYQDRN-QHCPKHFHSA-N 1 1 342.442 4.363 20 30 EIEDMO CC1(C#N)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000449138513 1031473755 /nfs/dbraw/zinc/47/37/55/1031473755.db2.gz IJNJXDJOLYSFDF-QMIIDVESSA-N 1 1 337.511 4.244 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000449232469 1031561265 /nfs/dbraw/zinc/56/12/65/1031561265.db2.gz UMBUIOJMWFCVJQ-UHFFFAOYSA-N 1 1 344.256 4.123 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449231210 1031561402 /nfs/dbraw/zinc/56/14/02/1031561402.db2.gz OFCYTACYZIALDU-UHFFFAOYSA-N 1 1 333.407 4.214 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C ZINC000065959641 1031620536 /nfs/dbraw/zinc/62/05/36/1031620536.db2.gz JTLDZAOXQJLBLO-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C ZINC000065959641 1031620558 /nfs/dbraw/zinc/62/05/58/1031620558.db2.gz JTLDZAOXQJLBLO-UHFFFAOYSA-N 1 1 342.870 4.318 20 30 EIEDMO Cc1cc(-c2noc([C@H]([NH3+])C34CC5CC(CC(C5)C3)C4)n2)ccc1C#N ZINC001211924446 1031676245 /nfs/dbraw/zinc/67/62/45/1031676245.db2.gz DGNUMAIQFRGIMD-TYUXRXASSA-N 1 1 348.450 4.133 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000612584886 1031681647 /nfs/dbraw/zinc/68/16/47/1031681647.db2.gz GHXALYSWXXKEKU-UHFFFAOYSA-N 1 1 348.425 4.318 20 30 EIEDMO CS[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449445221 1031739374 /nfs/dbraw/zinc/73/93/74/1031739374.db2.gz HVPQWSNLLKBXLN-FQEVSTJZSA-N 1 1 338.476 4.075 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000449468050 1031764478 /nfs/dbraw/zinc/76/44/78/1031764478.db2.gz KFNHYPXNVVHKSY-CGTJXYLNSA-N 1 1 335.875 4.030 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000449468051 1031765668 /nfs/dbraw/zinc/76/56/68/1031765668.db2.gz KFNHYPXNVVHKSY-JQHSSLGASA-N 1 1 335.875 4.030 20 30 EIEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449522470 1031820459 /nfs/dbraw/zinc/82/04/59/1031820459.db2.gz WSRDEFACJOGLEF-MOPGFXCFSA-N 1 1 327.468 4.033 20 30 EIEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159298 1033529840 /nfs/dbraw/zinc/52/98/40/1033529840.db2.gz GJBQPRSFCIKONX-UHFFFAOYSA-N 1 1 326.415 4.138 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000614171305 1033580251 /nfs/dbraw/zinc/58/02/51/1033580251.db2.gz JKCODCQXCNMJKM-JOCHJYFZSA-N 1 1 334.463 4.235 20 30 EIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179236 1033592926 /nfs/dbraw/zinc/59/29/26/1033592926.db2.gz LJIXXKXPWMSZLV-CQSZACIVSA-N 1 1 326.415 4.486 20 30 EIEDMO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512649101 1033604838 /nfs/dbraw/zinc/60/48/38/1033604838.db2.gz QIGVTVQKBPKEHF-INIZCTEOSA-N 1 1 337.442 4.144 20 30 EIEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186056 1033639575 /nfs/dbraw/zinc/63/95/75/1033639575.db2.gz OSMDQKLFCHAUHD-SFHVURJKSA-N 1 1 342.483 4.041 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000614185759 1033643878 /nfs/dbraw/zinc/64/38/78/1033643878.db2.gz CDAHZMAXHPTHSU-QFIPXVFZSA-N 1 1 348.490 4.321 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000614185759 1033643889 /nfs/dbraw/zinc/64/38/89/1033643889.db2.gz CDAHZMAXHPTHSU-QFIPXVFZSA-N 1 1 348.490 4.321 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662338 1033652114 /nfs/dbraw/zinc/65/21/14/1033652114.db2.gz WNIJWOXOQSXREW-BXWFABGCSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662338 1033652124 /nfs/dbraw/zinc/65/21/24/1033652124.db2.gz WNIJWOXOQSXREW-BXWFABGCSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662339 1033652515 /nfs/dbraw/zinc/65/25/15/1033652515.db2.gz WNIJWOXOQSXREW-FCEWJHQRSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662339 1033652524 /nfs/dbraw/zinc/65/25/24/1033652524.db2.gz WNIJWOXOQSXREW-FCEWJHQRSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667022 1033668183 /nfs/dbraw/zinc/66/81/83/1033668183.db2.gz NPHKPTKPOGHIPH-DLBZAZTESA-N 1 1 339.458 4.259 20 30 EIEDMO CCN(C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1)CC(F)(F)F ZINC000411306672 1033826872 /nfs/dbraw/zinc/82/68/72/1033826872.db2.gz LPXNINXYJFBJAY-INIZCTEOSA-N 1 1 345.453 4.057 20 30 EIEDMO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](C)C#N ZINC000509790155 1033880902 /nfs/dbraw/zinc/88/09/02/1033880902.db2.gz VWBVVPWRSNVLNO-ZDUSSCGKSA-N 1 1 329.425 4.305 20 30 EIEDMO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](C)C#N ZINC000509790155 1033880905 /nfs/dbraw/zinc/88/09/05/1033880905.db2.gz VWBVVPWRSNVLNO-ZDUSSCGKSA-N 1 1 329.425 4.305 20 30 EIEDMO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](C)C#N ZINC000509790154 1033881457 /nfs/dbraw/zinc/88/14/57/1033881457.db2.gz 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C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000729267118 1034768788 /nfs/dbraw/zinc/76/87/88/1034768788.db2.gz ZJLURPCLPWNDHG-UHFFFAOYSA-N 1 1 334.341 4.240 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513257044 1034861420 /nfs/dbraw/zinc/86/14/20/1034861420.db2.gz OZIQFSPFMXRBMJ-APWZRJJASA-N 1 1 336.435 4.029 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000434033846 1035072163 /nfs/dbraw/zinc/07/21/63/1035072163.db2.gz YNCKQMFGZHSWGG-IBGZPJMESA-N 1 1 341.499 4.073 20 30 EIEDMO CC[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345199537 1035142725 /nfs/dbraw/zinc/14/27/25/1035142725.db2.gz KCRRQERVVNCZFP-KRWDZBQOSA-N 1 1 330.435 4.327 20 30 EIEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981945 1035513601 /nfs/dbraw/zinc/51/36/01/1035513601.db2.gz VZSNGAZKUPYJCZ-UHFFFAOYSA-N 1 1 335.451 4.321 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595383470 1035669739 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EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000502451269 1036218243 /nfs/dbraw/zinc/21/82/43/1036218243.db2.gz RDBYPSXCQZUFMK-MRXNPFEDSA-N 1 1 340.492 4.424 20 30 EIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000485802520 1036285078 /nfs/dbraw/zinc/28/50/78/1036285078.db2.gz UEMIEEQFEQFRHB-AWEZNQCLSA-N 1 1 339.395 4.058 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(C#N)c1 ZINC000588204526 1036299348 /nfs/dbraw/zinc/29/93/48/1036299348.db2.gz NMBSBJCLFNESJZ-GFCCVEGCSA-N 1 1 340.224 4.043 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000602457371 1036453884 /nfs/dbraw/zinc/45/38/84/1036453884.db2.gz AOIGVNSRTCENKK-IBGZPJMESA-N 1 1 336.479 4.400 20 30 EIEDMO N#CCC1CC[NH+](Cc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000602809100 1036630629 /nfs/dbraw/zinc/63/06/29/1036630629.db2.gz YQZCELDFNHSSKP-UHFFFAOYSA-N 1 1 332.407 4.015 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000602882322 1036657374 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Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000599304218 1036941556 /nfs/dbraw/zinc/94/15/56/1036941556.db2.gz KEVDVAZNLGDQMI-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000599304218 1036941577 /nfs/dbraw/zinc/94/15/77/1036941577.db2.gz KEVDVAZNLGDQMI-BETUJISGSA-N 1 1 336.279 4.039 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516130 1037044418 /nfs/dbraw/zinc/04/44/18/1037044418.db2.gz NYLHTSGQNCCVNN-KRWDZBQOSA-N 1 1 348.437 4.245 20 30 EIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000603867263 1037063288 /nfs/dbraw/zinc/06/32/88/1037063288.db2.gz MWYSHALQXYRSFL-UHFFFAOYSA-N 1 1 332.806 4.252 20 30 EIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1C ZINC000509959076 1037079345 /nfs/dbraw/zinc/07/93/45/1037079345.db2.gz WABPHPKALVAXPC-UHFFFAOYSA-N 1 1 326.465 4.280 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000604271886 1037324364 /nfs/dbraw/zinc/32/43/64/1037324364.db2.gz NPXZUNNDXKKVKF-MRXNPFEDSA-N 1 1 339.870 4.485 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138918 1037376309 /nfs/dbraw/zinc/37/63/09/1037376309.db2.gz YAHFBXRBKPRNQF-QGZVFWFLSA-N 1 1 325.481 4.395 20 30 EIEDMO CCN(Cc1ccccc1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490091 1037404151 /nfs/dbraw/zinc/40/41/51/1037404151.db2.gz ZJNSXWNZUYZQQN-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccc(C)o1 ZINC000604493638 1037407331 /nfs/dbraw/zinc/40/73/31/1037407331.db2.gz SVFOSFDWBHCPRV-CQSZACIVSA-N 1 1 345.468 4.323 20 30 EIEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccc(C)o1 ZINC000604493638 1037407337 /nfs/dbraw/zinc/40/73/37/1037407337.db2.gz SVFOSFDWBHCPRV-CQSZACIVSA-N 1 1 345.468 4.323 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000157409394 1037490339 /nfs/dbraw/zinc/49/03/39/1037490339.db2.gz ZQBRATFPHZCMDJ-CHWSQXEVSA-N 1 1 328.435 4.369 20 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/nfs/dbraw/zinc/87/29/38/1037872938.db2.gz FSYQUWZVHOCAIJ-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235048 1038054798 /nfs/dbraw/zinc/05/47/98/1038054798.db2.gz GDYFYTSPIWKXGJ-XOBRGWDASA-N 1 1 325.431 4.171 20 30 EIEDMO C=CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000606433614 1038057565 /nfs/dbraw/zinc/05/75/65/1038057565.db2.gz QOMWUWRIQCZTIQ-GOSISDBHSA-N 1 1 347.466 4.028 20 30 EIEDMO COc1ccccc1CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489648837 1038189415 /nfs/dbraw/zinc/18/94/15/1038189415.db2.gz NQFZQTOWZPMMER-UHFFFAOYSA-N 1 1 338.426 4.161 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc2cccnc21 ZINC000063300152 1038192385 /nfs/dbraw/zinc/19/23/85/1038192385.db2.gz WBLGJDQNBGGAAP-UHFFFAOYSA-N 1 1 331.394 4.434 20 30 EIEDMO C=CC[N@H+](CCCOc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300553 1038197091 /nfs/dbraw/zinc/19/70/91/1038197091.db2.gz OTEYVOVSHAQKMB-UHFFFAOYSA-N 1 1 336.435 4.024 20 30 EIEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000489711274 1038215581 /nfs/dbraw/zinc/21/55/81/1038215581.db2.gz GAKSHEGONPXBPX-QGZVFWFLSA-N 1 1 343.515 4.212 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490076750 1038334327 /nfs/dbraw/zinc/33/43/27/1038334327.db2.gz CCXBESNROLXOSG-SFHVURJKSA-N 1 1 349.478 4.414 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594499143 1038345689 /nfs/dbraw/zinc/34/56/89/1038345689.db2.gz DCXRYSWRXASSLR-UHFFFAOYSA-N 1 1 342.446 4.048 20 30 EIEDMO C[NH+](C)C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594506759 1038351429 /nfs/dbraw/zinc/35/14/29/1038351429.db2.gz XUCKYOSYJKXIRF-HXUWFJFHSA-N 1 1 339.458 4.019 20 30 EIEDMO Cc1ccc(CNc2cccc(C(F)F)c2C#N)c(N2CCCC2)[nH+]1 ZINC000594574924 1038376114 /nfs/dbraw/zinc/37/61/14/1038376114.db2.gz JPJGAMRWCDLQAT-UHFFFAOYSA-N 1 1 342.393 4.412 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)Cc1ccccc1 ZINC000063494739 1038394744 /nfs/dbraw/zinc/39/47/44/1038394744.db2.gz BIFXSMGWJLMDSB-UHFFFAOYSA-N 1 1 340.492 4.425 20 30 EIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063524692 1038424701 /nfs/dbraw/zinc/42/47/01/1038424701.db2.gz IZCNBLNUNDBSBP-HXUWFJFHSA-N 1 1 333.435 4.032 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC3(CCCC3)C2)c2ccccc21 ZINC000173823983 1038697783 /nfs/dbraw/zinc/69/77/83/1038697783.db2.gz RQQIBUDBEZCROW-UHFFFAOYSA-N 1 1 335.451 4.004 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)nn1 ZINC000424295075 1038772485 /nfs/dbraw/zinc/77/24/85/1038772485.db2.gz MEAODMDRCRUHOF-MRXNPFEDSA-N 1 1 337.254 4.012 20 30 EIEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000424336128 1038811048 /nfs/dbraw/zinc/81/10/48/1038811048.db2.gz ITLUHSABVSMELP-KRWDZBQOSA-N 1 1 348.406 4.009 20 30 EIEDMO C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000086281773 1038856018 /nfs/dbraw/zinc/85/60/18/1038856018.db2.gz WALGCKQNRDMLMA-OAHLLOKOSA-N 1 1 344.418 4.045 20 30 EIEDMO C=CCCC1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000555177239 1038934729 /nfs/dbraw/zinc/93/47/29/1038934729.db2.gz MMCPCHZXLOSZRY-HXUWFJFHSA-N 1 1 340.511 4.151 20 30 EIEDMO CCCOc1ccc(F)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001212195377 1038954659 /nfs/dbraw/zinc/95/46/59/1038954659.db2.gz NEIBPALXVILYCV-UHFFFAOYSA-N 1 1 345.443 4.279 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000174566192 1038992944 /nfs/dbraw/zinc/99/29/44/1038992944.db2.gz AWGLFWVQSUWKOK-HNNXBMFYSA-N 1 1 327.399 4.087 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(Br)c1 ZINC000481058522 1039001274 /nfs/dbraw/zinc/00/12/74/1039001274.db2.gz OLNIEOGJBBIHMS-QGZVFWFLSA-N 1 1 341.252 4.138 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl ZINC000552129103 1039184548 /nfs/dbraw/zinc/18/45/48/1039184548.db2.gz BKPZXTIPOCIFDY-LJQANCHMSA-N 1 1 347.886 4.296 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ncc1Br ZINC000600167794 1039339395 /nfs/dbraw/zinc/33/93/95/1039339395.db2.gz YGOGTUNHMNNYND-CYBMUJFWSA-N 1 1 344.256 4.217 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478026939 1039350540 /nfs/dbraw/zinc/35/05/40/1039350540.db2.gz KQGSDCSVABJYCI-HNNXBMFYSA-N 1 1 325.374 4.122 20 30 EIEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000534530558 1039542005 /nfs/dbraw/zinc/54/20/05/1039542005.db2.gz FQMSXBHOFVUNJD-QGZVFWFLSA-N 1 1 331.341 4.176 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccco1 ZINC000514089966 1039593825 /nfs/dbraw/zinc/59/38/25/1039593825.db2.gz RVSLLUGHWQYYGO-WMLDXEAASA-N 1 1 327.424 4.409 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000481612576 1039625469 /nfs/dbraw/zinc/62/54/69/1039625469.db2.gz MVNDBASLEOCOMO-SGTLLEGYSA-N 1 1 348.368 4.338 20 30 EIEDMO CCC[N@H+](Cc1cccc(OCCCC#N)c1)C[C@H]1CCCCO1 ZINC000093132378 1039632064 /nfs/dbraw/zinc/63/20/64/1039632064.db2.gz YTSSMACKCMCBRT-HXUWFJFHSA-N 1 1 330.472 4.150 20 30 EIEDMO C=CCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000478347552 1039684957 /nfs/dbraw/zinc/68/49/57/1039684957.db2.gz WSUFCRBSBCCTCW-AZUAARDMSA-N 1 1 340.511 4.150 20 30 EIEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000093533641 1039712294 /nfs/dbraw/zinc/71/22/94/1039712294.db2.gz YBPDCBRIJOKBQV-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO C=CCCC[N@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000093533556 1039712941 /nfs/dbraw/zinc/71/29/41/1039712941.db2.gz VYJFYCCBRHDNFW-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000434614286 1039717387 /nfs/dbraw/zinc/71/73/87/1039717387.db2.gz IPGRWDFMSUKHIX-KRWDZBQOSA-N 1 1 345.443 4.026 20 30 EIEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434649113 1039765520 /nfs/dbraw/zinc/76/55/20/1039765520.db2.gz UHNRTUFYJGDYHQ-SFHVURJKSA-N 1 1 345.446 4.257 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000434783493 1039868492 /nfs/dbraw/zinc/86/84/92/1039868492.db2.gz AWWDUDSXBKAZNJ-OAHLLOKOSA-N 1 1 339.414 4.109 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000537658569 1039868963 /nfs/dbraw/zinc/86/89/63/1039868963.db2.gz MISULBONBBIKTB-CQSZACIVSA-N 1 1 337.206 4.111 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000537658569 1039868965 /nfs/dbraw/zinc/86/89/65/1039868965.db2.gz MISULBONBBIKTB-CQSZACIVSA-N 1 1 337.206 4.111 20 30 EIEDMO N#Cc1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534979914 1039873599 /nfs/dbraw/zinc/87/35/99/1039873599.db2.gz FNNNQPXTQSONAQ-UHFFFAOYSA-N 1 1 331.463 4.051 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1OC ZINC000556045226 1039885633 /nfs/dbraw/zinc/88/56/33/1039885633.db2.gz JENXYJPIMGCNFF-HNNXBMFYSA-N 1 1 343.389 4.424 20 30 EIEDMO CC1(C)CC(N[C@H]2CCCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000481933594 1039903324 /nfs/dbraw/zinc/90/33/24/1039903324.db2.gz PDUZZYWEJULKKN-IBGZPJMESA-N 1 1 325.500 4.225 20 30 EIEDMO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)OCC ZINC000535138778 1039994926 /nfs/dbraw/zinc/99/49/26/1039994926.db2.gz SBNXWNROFVDIEY-PXNSSMCTSA-N 1 1 344.499 4.228 20 30 EIEDMO Cc1nsc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1C#N ZINC000553250905 1040078343 /nfs/dbraw/zinc/07/83/43/1040078343.db2.gz SKYJCEVFNLDYEX-MRXNPFEDSA-N 1 1 346.887 4.226 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509935 1040315422 /nfs/dbraw/zinc/31/54/22/1040315422.db2.gz DLPDNACMGYNTSN-UNMCSNQZSA-N 1 1 348.490 4.127 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(F)c(F)c1 ZINC000479404849 1040327545 /nfs/dbraw/zinc/32/75/45/1040327545.db2.gz BPHKOTYNHITNBY-IBGZPJMESA-N 1 1 327.378 4.328 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc3n2CCC3)C(C)(C)C)cc1 ZINC000667485435 1040344427 /nfs/dbraw/zinc/34/44/27/1040344427.db2.gz SAONQGSZTASPQI-UHFFFAOYSA-N 1 1 339.483 4.195 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249132681 1040383967 /nfs/dbraw/zinc/38/39/67/1040383967.db2.gz FRCJZBHRXCBJCZ-IFXJQAMLSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249132681 1040383975 /nfs/dbraw/zinc/38/39/75/1040383975.db2.gz FRCJZBHRXCBJCZ-IFXJQAMLSA-N 1 1 326.827 4.346 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477433818 1040504772 /nfs/dbraw/zinc/50/47/72/1040504772.db2.gz AYXVOIGZSMGFBM-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589284 1040594223 /nfs/dbraw/zinc/59/42/23/1040594223.db2.gz WKWVKIDKDOGIHG-ZDUSSCGKSA-N 1 1 327.255 4.386 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577267 1040612579 /nfs/dbraw/zinc/61/25/79/1040612579.db2.gz HLTZUUWBJHYMLS-LJQANCHMSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577267 1040612586 /nfs/dbraw/zinc/61/25/86/1040612586.db2.gz HLTZUUWBJHYMLS-LJQANCHMSA-N 1 1 340.398 4.052 20 30 EIEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000553993294 1040687667 /nfs/dbraw/zinc/68/76/67/1040687667.db2.gz UBJWKFIIKDIYGC-SFHVURJKSA-N 1 1 339.464 4.031 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000477658815 1040693985 /nfs/dbraw/zinc/69/39/85/1040693985.db2.gz CCDJVHKVBJSKMR-OAQYLSRUSA-N 1 1 336.410 4.168 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000477658815 1040694017 /nfs/dbraw/zinc/69/40/17/1040694017.db2.gz CCDJVHKVBJSKMR-OAQYLSRUSA-N 1 1 336.410 4.168 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)C(C)(C)C)c(OC)c1 ZINC000551941138 1040711269 /nfs/dbraw/zinc/71/12/69/1040711269.db2.gz VTNPNTANDAYSMM-UHFFFAOYSA-N 1 1 344.480 4.438 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000667029012 1040731307 /nfs/dbraw/zinc/73/13/07/1040731307.db2.gz NDPVMFVVEFAYAU-INIZCTEOSA-N 1 1 329.488 4.047 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)cc1 ZINC000037996321 1040750567 /nfs/dbraw/zinc/75/05/67/1040750567.db2.gz IRIPZWBICCTAGV-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812119 /nfs/dbraw/zinc/81/21/19/1040812119.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812145 /nfs/dbraw/zinc/81/21/45/1040812145.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812150 /nfs/dbraw/zinc/81/21/50/1040812150.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 1 1 336.907 4.209 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000462696076 1040844628 /nfs/dbraw/zinc/84/46/28/1040844628.db2.gz RDNPVWFCUFYROM-ZDUSSCGKSA-N 1 1 331.872 4.156 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)ccc1OC ZINC000539909455 1040893014 /nfs/dbraw/zinc/89/30/14/1040893014.db2.gz FFQPPRKVXSVEMD-UHFFFAOYSA-N 1 1 348.874 4.274 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)ccc1OC ZINC000539909455 1040893016 /nfs/dbraw/zinc/89/30/16/1040893016.db2.gz FFQPPRKVXSVEMD-UHFFFAOYSA-N 1 1 348.874 4.274 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000483930225 1041070825 /nfs/dbraw/zinc/07/08/25/1041070825.db2.gz OWLQAAJUJMTXBP-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483942726 1041076218 /nfs/dbraw/zinc/07/62/18/1041076218.db2.gz JJKYXWHYGVTMOL-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000538159185 1041102887 /nfs/dbraw/zinc/10/28/87/1041102887.db2.gz RXKCYLBLSPIFAM-HXUWFJFHSA-N 1 1 346.434 4.404 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542833 1041218617 /nfs/dbraw/zinc/21/86/17/1041218617.db2.gz YUOSJKCQZCPOIG-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542833 1041218628 /nfs/dbraw/zinc/21/86/28/1041218628.db2.gz YUOSJKCQZCPOIG-AWEZNQCLSA-N 1 1 341.842 4.152 20 30 EIEDMO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1C(F)(F)F ZINC000484355410 1041222552 /nfs/dbraw/zinc/22/25/52/1041222552.db2.gz AFWVBILLVWTVCZ-INIZCTEOSA-N 1 1 335.373 4.221 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1C(F)(F)F ZINC000484355410 1041222568 /nfs/dbraw/zinc/22/25/68/1041222568.db2.gz AFWVBILLVWTVCZ-INIZCTEOSA-N 1 1 335.373 4.221 20 30 EIEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000484353541 1041223001 /nfs/dbraw/zinc/22/30/01/1041223001.db2.gz SXJFMCQUQNKDEY-MRXNPFEDSA-N 1 1 340.389 4.238 20 30 EIEDMO CC(C)Oc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(C(F)(F)F)c1 ZINC000554552370 1041228319 /nfs/dbraw/zinc/22/83/19/1041228319.db2.gz VVLPTFFYAZLOCL-ZDUSSCGKSA-N 1 1 339.361 4.026 20 30 EIEDMO CCc1nocc1C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000516096775 1041404300 /nfs/dbraw/zinc/40/43/00/1041404300.db2.gz JFLWYPBPURRULE-UHFFFAOYSA-N 1 1 331.419 4.408 20 30 EIEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000516096775 1041404302 /nfs/dbraw/zinc/40/43/02/1041404302.db2.gz JFLWYPBPURRULE-UHFFFAOYSA-N 1 1 331.419 4.408 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206670 1041420093 /nfs/dbraw/zinc/42/00/93/1041420093.db2.gz YVEOEJVGIYGSMS-JBCDFXQESA-N 1 1 346.902 4.363 20 30 EIEDMO C[C@H]([NH2+]C1(CN[C@H]2CCC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243827 1041451131 /nfs/dbraw/zinc/45/11/31/1041451131.db2.gz UMSBRPGUYCNXNZ-NSHGMRRFSA-N 1 1 325.500 4.322 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000540432596 1041463922 /nfs/dbraw/zinc/46/39/22/1041463922.db2.gz IVPQEEGGLPFFHY-UHFFFAOYSA-N 1 1 342.389 4.404 20 30 EIEDMO CCCCCCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001270134875 1041510947 /nfs/dbraw/zinc/51/09/47/1041510947.db2.gz WSGSAUZNKXZXKY-KDURUIRLSA-N 1 1 345.531 4.046 20 30 EIEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H](C)OC ZINC000463419673 1041556055 /nfs/dbraw/zinc/55/60/55/1041556055.db2.gz WRLKOARNEZHVBJ-LJQANCHMSA-N 1 1 336.479 4.243 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901545 1041556117 /nfs/dbraw/zinc/55/61/17/1041556117.db2.gz SRHWNIDABMPOQX-SFHVURJKSA-N 1 1 334.463 4.389 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(SC(C)(C)C)cn2)no1 ZINC000904643978 1041560587 /nfs/dbraw/zinc/56/05/87/1041560587.db2.gz NYCMBIUYRJHGKX-ZDUSSCGKSA-N 1 1 332.473 4.378 20 30 EIEDMO C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708110 1041608166 /nfs/dbraw/zinc/60/81/66/1041608166.db2.gz SYENMJCCLNFJRQ-IRXDYDNUSA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708110 1041608173 /nfs/dbraw/zinc/60/81/73/1041608173.db2.gz SYENMJCCLNFJRQ-IRXDYDNUSA-N 1 1 339.458 4.259 20 30 EIEDMO N#Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1C(F)(F)F ZINC000463644046 1041685959 /nfs/dbraw/zinc/68/59/59/1041685959.db2.gz BMIYOYCKUXTAMH-UHFFFAOYSA-N 1 1 337.389 4.032 20 30 EIEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000437639654 1041869674 /nfs/dbraw/zinc/86/96/74/1041869674.db2.gz JOLBEYBWACJKAM-GOSISDBHSA-N 1 1 348.368 4.112 20 30 EIEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)[C@@H](C)CO2)c1 ZINC000541348249 1041898576 /nfs/dbraw/zinc/89/85/76/1041898576.db2.gz BHJYFXUOKXZVJA-AVRDEDQJSA-N 1 1 334.463 4.332 20 30 EIEDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000609144271 1042241125 /nfs/dbraw/zinc/24/11/25/1042241125.db2.gz GUGPCKYPNOQQGE-FQEVSTJZSA-N 1 1 348.446 4.143 20 30 EIEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000609144273 1042261383 /nfs/dbraw/zinc/26/13/83/1042261383.db2.gz GUGPCKYPNOQQGE-HXUWFJFHSA-N 1 1 348.446 4.143 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518000350 1042309717 /nfs/dbraw/zinc/30/97/17/1042309717.db2.gz MRJPIUFEJOCWHJ-CQSZACIVSA-N 1 1 330.378 4.046 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518000350 1042309725 /nfs/dbraw/zinc/30/97/25/1042309725.db2.gz MRJPIUFEJOCWHJ-CQSZACIVSA-N 1 1 330.378 4.046 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000491388264 1042434331 /nfs/dbraw/zinc/43/43/31/1042434331.db2.gz ZPQBYTHJGYCMRL-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000491388264 1042434337 /nfs/dbraw/zinc/43/43/37/1042434337.db2.gz ZPQBYTHJGYCMRL-UHFFFAOYSA-N 1 1 343.814 4.214 20 30 EIEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518445220 1042521957 /nfs/dbraw/zinc/52/19/57/1042521957.db2.gz CRXPNLXNRIFYFP-AWEZNQCLSA-N 1 1 344.443 4.404 20 30 EIEDMO N#Cc1ccc(C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552266 1042591580 /nfs/dbraw/zinc/59/15/80/1042591580.db2.gz DWBZOFREFGFETH-HYXAFXHYSA-N 1 1 333.391 4.144 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271967737 1042592208 /nfs/dbraw/zinc/59/22/08/1042592208.db2.gz SXZASIFDOSTCDP-NEPJUHHUSA-N 1 1 346.377 4.265 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271967741 1042592480 /nfs/dbraw/zinc/59/24/80/1042592480.db2.gz SXZASIFDOSTCDP-RYUDHWBXSA-N 1 1 346.377 4.265 20 30 EIEDMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271966224 1042592994 /nfs/dbraw/zinc/59/29/94/1042592994.db2.gz SMOPDGQOVTWMOK-KBPBESRZSA-N 1 1 336.414 4.479 20 30 EIEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492354755 1042615560 /nfs/dbraw/zinc/61/55/60/1042615560.db2.gz GIZGYRPMNWLQBI-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO Cc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492354755 1042615565 /nfs/dbraw/zinc/61/55/65/1042615565.db2.gz GIZGYRPMNWLQBI-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c(Cl)c1 ZINC000439440037 1042626998 /nfs/dbraw/zinc/62/69/98/1042626998.db2.gz PJYLBTLMJJRUHX-UHFFFAOYSA-N 1 1 326.827 4.329 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c(Cl)c1 ZINC000439440037 1042627004 /nfs/dbraw/zinc/62/70/04/1042627004.db2.gz PJYLBTLMJJRUHX-UHFFFAOYSA-N 1 1 326.827 4.329 20 30 EIEDMO CCN(C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1)CC(F)(F)F ZINC000929783549 1042750491 /nfs/dbraw/zinc/75/04/91/1042750491.db2.gz ZZBVLWXJCDCHMW-MRXNPFEDSA-N 1 1 345.453 4.057 20 30 EIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911450 1042854243 /nfs/dbraw/zinc/85/42/43/1042854243.db2.gz SAEVOOCILMCXKY-LBPRGKRZSA-N 1 1 344.833 4.242 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(SC(F)F)cc2)CC1 ZINC000180935804 1042866531 /nfs/dbraw/zinc/86/65/31/1042866531.db2.gz CSBXBWFVDKIKIJ-UHFFFAOYSA-N 1 1 326.456 4.131 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000520129948 1042947521 /nfs/dbraw/zinc/94/75/21/1042947521.db2.gz FUSLUMYVZZAPFJ-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000520129948 1042947526 /nfs/dbraw/zinc/94/75/26/1042947526.db2.gz FUSLUMYVZZAPFJ-UHFFFAOYSA-N 1 1 337.398 4.106 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100955 1042988643 /nfs/dbraw/zinc/98/86/43/1042988643.db2.gz GEVSUVUFTCEKBE-CQSZACIVSA-N 1 1 334.485 4.330 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000507801267 1043013672 /nfs/dbraw/zinc/01/36/72/1043013672.db2.gz JGFAHPHPZFMDRI-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784184 1043031692 /nfs/dbraw/zinc/03/16/92/1043031692.db2.gz BXSYSVFDBUVNAP-AWEZNQCLSA-N 1 1 348.244 4.212 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784184 1043031695 /nfs/dbraw/zinc/03/16/95/1043031695.db2.gz BXSYSVFDBUVNAP-AWEZNQCLSA-N 1 1 348.244 4.212 20 30 EIEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000310369820 1043129522 /nfs/dbraw/zinc/12/95/22/1043129522.db2.gz SNLBJBMMYAVXMP-MRXNPFEDSA-N 1 1 345.368 4.263 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)cc1 ZINC000487406454 1043241244 /nfs/dbraw/zinc/24/12/44/1043241244.db2.gz KHVPAHMWSPLDHH-SFHVURJKSA-N 1 1 334.463 4.486 20 30 EIEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554317 1043264449 /nfs/dbraw/zinc/26/44/49/1043264449.db2.gz UEQIVLCAENJJFN-QZTJIDSGSA-N 1 1 336.520 4.003 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(F)c(F)c1 ZINC000187372247 1043345961 /nfs/dbraw/zinc/34/59/61/1043345961.db2.gz RKSDHZGNEVNFNW-LJQANCHMSA-N 1 1 327.378 4.328 20 30 EIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)o1 ZINC000059372666 1043355988 /nfs/dbraw/zinc/35/59/88/1043355988.db2.gz WNBGAGFPIWNKHP-MGPUTAFESA-N 1 1 336.435 4.318 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000625700024 1043358798 /nfs/dbraw/zinc/35/87/98/1043358798.db2.gz GYYHQMLSNIGSSU-OAHLLOKOSA-N 1 1 344.480 4.129 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000625700024 1043358813 /nfs/dbraw/zinc/35/88/13/1043358813.db2.gz GYYHQMLSNIGSSU-OAHLLOKOSA-N 1 1 344.480 4.129 20 30 EIEDMO C=CC[NH+](CC=C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000442007100 1043453364 /nfs/dbraw/zinc/45/33/64/1043453364.db2.gz XKGYVQRYOZQCOK-UHFFFAOYSA-N 1 1 344.256 4.080 20 30 EIEDMO CCOc1cccc(/C=N/C[C@@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488645 1043765524 /nfs/dbraw/zinc/76/55/24/1043765524.db2.gz OALGGXMQFUVFHM-KWJZBXMYSA-N 1 1 344.499 4.255 20 30 EIEDMO N#Cc1c(C[N@H+](Cc2ccccc2O)C2CCCC2)cn2ccccc12 ZINC000731846112 1043834875 /nfs/dbraw/zinc/83/48/75/1043834875.db2.gz SGFWDZKMIDRZKU-UHFFFAOYSA-N 1 1 345.446 4.461 20 30 EIEDMO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000731937321 1043850640 /nfs/dbraw/zinc/85/06/40/1043850640.db2.gz JBAPUQQYOPHVIU-XYLCRUHJSA-N 1 1 332.447 4.485 20 30 EIEDMO COc1cc(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)ccc1C#N ZINC000442858975 1043878227 /nfs/dbraw/zinc/87/82/27/1043878227.db2.gz WDJMGIYTSYFJKF-FQEVSTJZSA-N 1 1 349.478 4.497 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000732213026 1043885604 /nfs/dbraw/zinc/88/56/04/1043885604.db2.gz YBNIXYDCPXRORR-QGZVFWFLSA-N 1 1 326.827 4.232 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000442967267 1043927503 /nfs/dbraw/zinc/92/75/03/1043927503.db2.gz ORKGXAJLOASTOO-UONOGXRCSA-N 1 1 348.899 4.087 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986218 1044058821 /nfs/dbraw/zinc/05/88/21/1044058821.db2.gz IGLWNYMCNFVGHI-IBGZPJMESA-N 1 1 328.362 4.204 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000425364623 1044058853 /nfs/dbraw/zinc/05/88/53/1044058853.db2.gz GTHGIXMKWUTUNM-LBPRGKRZSA-N 1 1 334.341 4.492 20 30 EIEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986572 1044061188 /nfs/dbraw/zinc/06/11/88/1044061188.db2.gz MLHSHLCVFPJASS-LJQANCHMSA-N 1 1 328.362 4.052 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(CC#N)cc4)C3)nc2c1 ZINC000543196928 1044086465 /nfs/dbraw/zinc/08/64/65/1044086465.db2.gz JNROSPRHPRJHLW-LJQANCHMSA-N 1 1 344.462 4.317 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(CC#N)cc4)C3)[nH]c2c1 ZINC000543196928 1044086477 /nfs/dbraw/zinc/08/64/77/1044086477.db2.gz JNROSPRHPRJHLW-LJQANCHMSA-N 1 1 344.462 4.317 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(CC#N)cc4)C3)[nH]c2c1 ZINC000543196928 1044086493 /nfs/dbraw/zinc/08/64/93/1044086493.db2.gz JNROSPRHPRJHLW-LJQANCHMSA-N 1 1 344.462 4.317 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(CC#N)cc4)C3)nc2c1 ZINC000543196925 1044086604 /nfs/dbraw/zinc/08/66/04/1044086604.db2.gz JNROSPRHPRJHLW-IBGZPJMESA-N 1 1 344.462 4.317 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(CC#N)cc4)C3)[nH]c2c1 ZINC000543196925 1044086620 /nfs/dbraw/zinc/08/66/20/1044086620.db2.gz JNROSPRHPRJHLW-IBGZPJMESA-N 1 1 344.462 4.317 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(CC#N)cc4)C3)[nH]c2c1 ZINC000543196925 1044086635 /nfs/dbraw/zinc/08/66/35/1044086635.db2.gz JNROSPRHPRJHLW-IBGZPJMESA-N 1 1 344.462 4.317 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443309206 1044174827 /nfs/dbraw/zinc/17/48/27/1044174827.db2.gz GJJSCPTWUVOWCT-UHFFFAOYSA-N 1 1 326.484 4.411 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895236 1044205256 /nfs/dbraw/zinc/20/52/56/1044205256.db2.gz MXHSOBDEAZKEAB-SUNYJGFJSA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895236 1044205273 /nfs/dbraw/zinc/20/52/73/1044205273.db2.gz MXHSOBDEAZKEAB-SUNYJGFJSA-N 1 1 345.537 4.415 20 30 EIEDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076229 1044217175 /nfs/dbraw/zinc/21/71/75/1044217175.db2.gz ZHNGJIZRQIZRED-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076229 1044217191 /nfs/dbraw/zinc/21/71/91/1044217191.db2.gz ZHNGJIZRQIZRED-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076229 1044217202 /nfs/dbraw/zinc/21/72/02/1044217202.db2.gz ZHNGJIZRQIZRED-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076229 1044217214 /nfs/dbraw/zinc/21/72/14/1044217214.db2.gz ZHNGJIZRQIZRED-JYBLXFRWSA-N 1 1 345.490 4.404 20 30 EIEDMO C=CCOCCC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000348024907 1044358255 /nfs/dbraw/zinc/35/82/55/1044358255.db2.gz BBQKMLGSELABMC-UHFFFAOYSA-N 1 1 334.510 4.131 20 30 EIEDMO C[C@@H]1C[C@@H](NC2=CC(=O)CC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020898 1044401767 /nfs/dbraw/zinc/40/17/67/1044401767.db2.gz OKUUFSLEWGGOFA-IZZQQSIFSA-N 1 1 340.511 4.291 20 30 EIEDMO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000914558317 1044480544 /nfs/dbraw/zinc/48/05/44/1044480544.db2.gz SSLYWGFGDWWMQD-WMWHPZEKSA-N 1 1 344.458 4.411 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ncccc1Cl ZINC000734365760 1044545852 /nfs/dbraw/zinc/54/58/52/1044545852.db2.gz SBASQYFSXBPCBY-CQSZACIVSA-N 1 1 328.847 4.045 20 30 EIEDMO COCC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000542529293 1044552698 /nfs/dbraw/zinc/55/26/98/1044552698.db2.gz WDXOQHFTEZDZFR-INIZCTEOSA-N 1 1 337.341 4.017 20 30 EIEDMO C=CC[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494999216 1044588326 /nfs/dbraw/zinc/58/83/26/1044588326.db2.gz NYORBSFSGOPFTL-ZVDOUQERSA-N 1 1 342.527 4.221 20 30 EIEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000533925816 1044597294 /nfs/dbraw/zinc/59/72/94/1044597294.db2.gz CNKWQTJFXJZIBC-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000533925816 1044597308 /nfs/dbraw/zinc/59/73/08/1044597308.db2.gz CNKWQTJFXJZIBC-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001168025774 1044657187 /nfs/dbraw/zinc/65/71/87/1044657187.db2.gz MNODBLAWSYDGJI-UHFFFAOYSA-N 1 1 342.446 4.341 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc(Cl)cs3)CC2)c1 ZINC000495159413 1044735276 /nfs/dbraw/zinc/73/52/76/1044735276.db2.gz SCKFYSOWRWSVDK-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO Clc1cccc(C#CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000676558154 1044789420 /nfs/dbraw/zinc/78/94/20/1044789420.db2.gz DZZLRWVMYFPXEI-FQEVSTJZSA-N 1 1 325.839 4.155 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000676558154 1044789441 /nfs/dbraw/zinc/78/94/41/1044789441.db2.gz DZZLRWVMYFPXEI-FQEVSTJZSA-N 1 1 325.839 4.155 20 30 EIEDMO Cc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000735309623 1044798084 /nfs/dbraw/zinc/79/80/84/1044798084.db2.gz QKJOZTLDFFACPQ-UHFFFAOYSA-N 1 1 326.827 4.109 20 30 EIEDMO Cc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000735309623 1044798101 /nfs/dbraw/zinc/79/81/01/1044798101.db2.gz QKJOZTLDFFACPQ-UHFFFAOYSA-N 1 1 326.827 4.109 20 30 EIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCc2ccccc2C1 ZINC000735311185 1044800352 /nfs/dbraw/zinc/80/03/52/1044800352.db2.gz LWCRESYEAPFRLJ-LJQANCHMSA-N 1 1 340.854 4.232 20 30 EIEDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OCC#N ZINC000735310274 1044801206 /nfs/dbraw/zinc/80/12/06/1044801206.db2.gz WUIPFSHUKOMFNQ-UHFFFAOYSA-N 1 1 344.842 4.360 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000428972762 1044929908 /nfs/dbraw/zinc/92/99/08/1044929908.db2.gz BSZLFNQOQQMDFE-ZWKOTPCHSA-N 1 1 348.780 4.110 20 30 EIEDMO CC(=[NH+]Nc1cccc(Cl)c1C)c1cccc(N2CCOCC2)c1 ZINC000915051192 1045010375 /nfs/dbraw/zinc/01/03/75/1045010375.db2.gz NWDDTLAEIUVBJF-UHFFFAOYSA-N 1 1 343.858 4.321 20 30 EIEDMO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671058 1045051861 /nfs/dbraw/zinc/05/18/61/1045051861.db2.gz YRHSZCDYVXACJH-FPOVZHCZSA-N 1 1 341.499 4.048 20 30 EIEDMO N#CCSCCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000466710205 1045069615 /nfs/dbraw/zinc/06/96/15/1045069615.db2.gz KQUJDPSDGANMCS-UHFFFAOYSA-N 1 1 346.496 4.197 20 30 EIEDMO Oc1ccccc1/C=N\C[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000915112726 1045108091 /nfs/dbraw/zinc/10/80/91/1045108091.db2.gz DGYUHFSQMMPLAY-SLCIXIPPSA-N 1 1 346.833 4.441 20 30 EIEDMO C=CCCCCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739884925 1045169342 /nfs/dbraw/zinc/16/93/42/1045169342.db2.gz LKRLGCHNHTZZIT-UHFFFAOYSA-N 1 1 328.416 4.094 20 30 EIEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000161911813 1045183532 /nfs/dbraw/zinc/18/35/32/1045183532.db2.gz CMHOMQFLDIZGMS-KRWDZBQOSA-N 1 1 342.483 4.043 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CCCC(C)(C)C#N)C2)C1 ZINC000495588360 1045221289 /nfs/dbraw/zinc/22/12/89/1045221289.db2.gz LZXHISNPUZCODR-HXUWFJFHSA-N 1 1 349.519 4.039 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCCC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001272610757 1045222803 /nfs/dbraw/zinc/22/28/03/1045222803.db2.gz LNOCILCJKLDPIN-MOPGFXCFSA-N 1 1 347.547 4.067 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)CCCOC(C)C ZINC000740858151 1045229935 /nfs/dbraw/zinc/22/99/35/1045229935.db2.gz VZAMWGCXAWEBMH-UHFFFAOYSA-N 1 1 333.501 4.019 20 30 EIEDMO C[N@H+]1CC[C@H](C/N=C/c2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762435935 1045232309 /nfs/dbraw/zinc/23/23/09/1045232309.db2.gz IHCUZYJCJKFZNG-SQMKJKLBSA-N 1 1 346.833 4.297 20 30 EIEDMO CCC[N@@H+](CCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495637404 1045262554 /nfs/dbraw/zinc/26/25/54/1045262554.db2.gz JZUZSPJVIBHUHS-UHFFFAOYSA-N 1 1 337.508 4.038 20 30 EIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3C3CC3)CC2)cc1 ZINC000611253357 1045265304 /nfs/dbraw/zinc/26/53/04/1045265304.db2.gz SXCWEQQUBBAPRT-UHFFFAOYSA-N 1 1 345.490 4.144 20 30 EIEDMO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000611375036 1045290015 /nfs/dbraw/zinc/29/00/15/1045290015.db2.gz MGEMDDRHORWDEB-LBPRGKRZSA-N 1 1 332.350 4.019 20 30 EIEDMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1cccc(C#N)c1 ZINC000611388070 1045295887 /nfs/dbraw/zinc/29/58/87/1045295887.db2.gz CJWRBJYFTLQQGI-LBPRGKRZSA-N 1 1 339.345 4.342 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000611390635 1045296777 /nfs/dbraw/zinc/29/67/77/1045296777.db2.gz MIBOPGYRSZIBCF-XZOQPEGZSA-N 1 1 345.490 4.362 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4c(s3)CCCC4)CC2)cc1 ZINC000611464471 1045310280 /nfs/dbraw/zinc/31/02/80/1045310280.db2.gz DSLMPKULDYFYKT-UHFFFAOYSA-N 1 1 335.476 4.183 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4c(s3)CCCC4)CC2)cc1 ZINC000611464471 1045310288 /nfs/dbraw/zinc/31/02/88/1045310288.db2.gz DSLMPKULDYFYKT-UHFFFAOYSA-N 1 1 335.476 4.183 20 30 EIEDMO CC[N@H+](Cc1nc2c(s1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000611453625 1045311936 /nfs/dbraw/zinc/31/19/36/1045311936.db2.gz NJFXVVSTBBHJTL-CQSZACIVSA-N 1 1 325.481 4.477 20 30 EIEDMO CC[N@@H+](Cc1nc2c(s1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000611453625 1045311943 /nfs/dbraw/zinc/31/19/43/1045311943.db2.gz NJFXVVSTBBHJTL-CQSZACIVSA-N 1 1 325.481 4.477 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/COc3ccc(F)cc3C2=O)c2ccccn21 ZINC000762605765 1045312874 /nfs/dbraw/zinc/31/28/74/1045312874.db2.gz YXQMOCOTUQJYCU-LCYFTJDESA-N 1 1 336.366 4.256 20 30 EIEDMO C[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476155 1045315300 /nfs/dbraw/zinc/31/53/00/1045315300.db2.gz ORKBQMDUJOHASW-XMSQKQJNSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476155 1045315307 /nfs/dbraw/zinc/31/53/07/1045315307.db2.gz ORKBQMDUJOHASW-XMSQKQJNSA-N 1 1 345.490 4.190 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236689852 1045363191 /nfs/dbraw/zinc/36/31/91/1045363191.db2.gz OKSZLBMXUYWOMU-UHFFFAOYSA-N 1 1 344.833 4.072 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC000767763943 1045629605 /nfs/dbraw/zinc/62/96/05/1045629605.db2.gz FWOSKAUBIWNCOX-GDBMZVCRSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC000767763943 1045629585 /nfs/dbraw/zinc/62/95/85/1045629585.db2.gz FWOSKAUBIWNCOX-GDBMZVCRSA-N 1 1 334.533 4.336 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000767905710 1045678912 /nfs/dbraw/zinc/67/89/12/1045678912.db2.gz HDAONWKLJGJGHL-FGZHOGPDSA-N 1 1 334.463 4.079 20 30 EIEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000768244345 1045775455 /nfs/dbraw/zinc/77/54/55/1045775455.db2.gz IDAVGBXFMIRGQX-GOSISDBHSA-N 1 1 346.430 4.219 20 30 EIEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000768245353 1045776012 /nfs/dbraw/zinc/77/60/12/1045776012.db2.gz QCEXRBXBMJBAPM-GOSISDBHSA-N 1 1 346.430 4.219 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000072691408 1045794368 /nfs/dbraw/zinc/79/43/68/1045794368.db2.gz JOBJTYRXSQCRAW-UHFFFAOYSA-N 1 1 339.842 4.069 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000768512892 1045812781 /nfs/dbraw/zinc/81/27/81/1045812781.db2.gz KQVLDXYEHZFHIN-OAHLLOKOSA-N 1 1 325.431 4.346 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000246592286 1045825511 /nfs/dbraw/zinc/82/55/11/1045825511.db2.gz FWQUCBYOAFRTJQ-ARFHVFGLSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000246592286 1045825513 /nfs/dbraw/zinc/82/55/13/1045825513.db2.gz FWQUCBYOAFRTJQ-ARFHVFGLSA-N 1 1 345.512 4.140 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000768662052 1045829153 /nfs/dbraw/zinc/82/91/53/1045829153.db2.gz OGFBVRVWHCWYOH-UHFFFAOYSA-N 1 1 344.890 4.166 20 30 EIEDMO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000768662052 1045829157 /nfs/dbraw/zinc/82/91/57/1045829157.db2.gz OGFBVRVWHCWYOH-UHFFFAOYSA-N 1 1 344.890 4.166 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1C/N=C/c1cccc(O)c1O ZINC000915979420 1045850935 /nfs/dbraw/zinc/85/09/35/1045850935.db2.gz PDJQACSRQZNCEQ-CAUNFOBBSA-N 1 1 338.451 4.091 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2ccccc2F)cc1)C[C@@H](C)C#N ZINC000768880758 1045852218 /nfs/dbraw/zinc/85/22/18/1045852218.db2.gz HEHZNJOXKIAMQW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2ccccc2F)cc1)C[C@@H](C)C#N ZINC000768880758 1045852212 /nfs/dbraw/zinc/85/22/12/1045852212.db2.gz HEHZNJOXKIAMQW-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO N#Cc1cncc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC001170204704 1045925860 /nfs/dbraw/zinc/92/58/60/1045925860.db2.gz FQNJCPHQKSSUOC-UHFFFAOYSA-N 1 1 345.368 4.384 20 30 EIEDMO C=C(C)C[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204676 1045927259 /nfs/dbraw/zinc/92/72/59/1045927259.db2.gz FBWBVPDVSDIJNG-UYAOXDASSA-N 1 1 333.520 4.437 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000769339573 1045928206 /nfs/dbraw/zinc/92/82/06/1045928206.db2.gz SJCGKJMCNQSOSQ-IBGZPJMESA-N 1 1 337.442 4.165 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000769339441 1045928298 /nfs/dbraw/zinc/92/82/98/1045928298.db2.gz YYQDQSYGWINFMU-GHTZIAJQSA-N 1 1 334.463 4.432 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 ZINC000772804303 1045944522 /nfs/dbraw/zinc/94/45/22/1045944522.db2.gz WKCXHMXRTCBMAS-TWGQIWQCSA-N 1 1 331.350 4.088 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC000769503333 1046000317 /nfs/dbraw/zinc/00/03/17/1046000317.db2.gz HAFCCABFQUPSFJ-JOCHJYFZSA-N 1 1 333.479 4.200 20 30 EIEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000496669646 1046022234 /nfs/dbraw/zinc/02/22/34/1046022234.db2.gz YVYRLXSYIVFNEU-JKSUJKDBSA-N 1 1 337.508 4.084 20 30 EIEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000496669644 1046023051 /nfs/dbraw/zinc/02/30/51/1046023051.db2.gz YVYRLXSYIVFNEU-HOTGVXAUSA-N 1 1 337.508 4.084 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001170384463 1046023458 /nfs/dbraw/zinc/02/34/58/1046023458.db2.gz YGRCHSQDFBJARS-IZIZEDOESA-N 1 1 330.422 4.368 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001170379122 1046034271 /nfs/dbraw/zinc/03/42/71/1046034271.db2.gz QQRWDSZVOAJKAY-OOMBGRCJSA-N 1 1 346.474 4.464 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001170379225 1046034568 /nfs/dbraw/zinc/03/45/68/1046034568.db2.gz UOYLZAHUYNHMJX-KBNVZVJVSA-N 1 1 336.479 4.224 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC000255953571 1046082898 /nfs/dbraw/zinc/08/28/98/1046082898.db2.gz ALKGSWVSCJDPAI-FXAWDEMLSA-N 1 1 349.478 4.392 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC000255953571 1046082915 /nfs/dbraw/zinc/08/29/15/1046082915.db2.gz ALKGSWVSCJDPAI-FXAWDEMLSA-N 1 1 349.478 4.392 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCCC1(C)C ZINC000769954064 1046110526 /nfs/dbraw/zinc/11/05/26/1046110526.db2.gz RAWKUJOZESTDJA-FQEVSTJZSA-N 1 1 340.511 4.489 20 30 EIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399038 1046127279 /nfs/dbraw/zinc/12/72/79/1046127279.db2.gz ZTVDQWAEVGOGMB-FZKQIMNGSA-N 1 1 348.368 4.303 20 30 EIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763410743 1046138502 /nfs/dbraw/zinc/13/85/02/1046138502.db2.gz OEJOEFBKNHWDSM-VQTJNVASSA-N 1 1 338.451 4.364 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413475 1046146945 /nfs/dbraw/zinc/14/69/45/1046146945.db2.gz MPRJAJYSNMMANS-AVYPCKFXSA-N 1 1 342.870 4.369 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000770236517 1046162628 /nfs/dbraw/zinc/16/26/28/1046162628.db2.gz KUVVKZZETOMIRT-PMACEKPBSA-N 1 1 342.389 4.097 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cncc4ccccc43)CC2)cc1 ZINC000770378277 1046186580 /nfs/dbraw/zinc/18/65/80/1046186580.db2.gz AYWZMESRAVXENT-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000793564488 1046292516 /nfs/dbraw/zinc/29/25/16/1046292516.db2.gz CVIVNJZKGNLIEK-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000793564488 1046292533 /nfs/dbraw/zinc/29/25/33/1046292533.db2.gz CVIVNJZKGNLIEK-UHFFFAOYSA-N 1 1 325.431 4.176 20 30 EIEDMO C=CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C(C)C ZINC000916710117 1046331388 /nfs/dbraw/zinc/33/13/88/1046331388.db2.gz YAGIJUWUOJBHEM-UHFFFAOYSA-N 1 1 340.471 4.483 20 30 EIEDMO C=CC[N@@H+](C(C)C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000771790751 1046491950 /nfs/dbraw/zinc/49/19/50/1046491950.db2.gz GKJGMGOVKVHQCD-KRWDZBQOSA-N 1 1 328.456 4.214 20 30 EIEDMO C=CC[N@H+](C(C)C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000771790751 1046491954 /nfs/dbraw/zinc/49/19/54/1046491954.db2.gz GKJGMGOVKVHQCD-KRWDZBQOSA-N 1 1 328.456 4.214 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988148 1046524584 /nfs/dbraw/zinc/52/45/84/1046524584.db2.gz AZMCKSKYYPLFJN-MRXNPFEDSA-N 1 1 341.398 4.489 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)cc1F ZINC000916987701 1046526728 /nfs/dbraw/zinc/52/67/28/1046526728.db2.gz VESUDMWJZBZQGX-HNNXBMFYSA-N 1 1 343.826 4.401 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)cc1F ZINC000916987701 1046526745 /nfs/dbraw/zinc/52/67/45/1046526745.db2.gz VESUDMWJZBZQGX-HNNXBMFYSA-N 1 1 343.826 4.401 20 30 EIEDMO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C(C)C ZINC000917070594 1046647852 /nfs/dbraw/zinc/64/78/52/1046647852.db2.gz FLFMEZYMLUXHKS-FQEVSTJZSA-N 1 1 342.508 4.159 20 30 EIEDMO C=CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C(C)C ZINC000917070951 1046649148 /nfs/dbraw/zinc/64/91/48/1046649148.db2.gz KRHCZCXRFDONIY-UHFFFAOYSA-N 1 1 338.411 4.096 20 30 EIEDMO C=CC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C(C)C ZINC000917070951 1046649161 /nfs/dbraw/zinc/64/91/61/1046649161.db2.gz KRHCZCXRFDONIY-UHFFFAOYSA-N 1 1 338.411 4.096 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732215 1046729557 /nfs/dbraw/zinc/72/95/57/1046729557.db2.gz YEZJKNGMXLHMHN-SJORKVTESA-N 1 1 337.442 4.137 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652461 1046838388 /nfs/dbraw/zinc/83/83/88/1046838388.db2.gz BUKHWHDENTVMQZ-HNNXBMFYSA-N 1 1 346.437 4.387 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000497612051 1046891915 /nfs/dbraw/zinc/89/19/15/1046891915.db2.gz QAAUJMVNHOIXLG-CQSZACIVSA-N 1 1 343.833 4.234 20 30 EIEDMO CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620084 1046896854 /nfs/dbraw/zinc/89/68/54/1046896854.db2.gz XMDSZDDUIHSWCF-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620084 1046896857 /nfs/dbraw/zinc/89/68/57/1046896857.db2.gz XMDSZDDUIHSWCF-INIZCTEOSA-N 1 1 346.434 4.500 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000806177163 1047162019 /nfs/dbraw/zinc/16/20/19/1047162019.db2.gz VERVVQFXOKZZIA-ZWKOTPCHSA-N 1 1 345.446 4.296 20 30 EIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520426 1047214255 /nfs/dbraw/zinc/21/42/55/1047214255.db2.gz QWEDNFBJLNQPBC-SJORKVTESA-N 1 1 333.907 4.011 20 30 EIEDMO C#CC[C@H]([NH2+][C@H](C)c1nc(Br)ccc1F)c1ccccc1 ZINC000788685433 1047260856 /nfs/dbraw/zinc/26/08/56/1047260856.db2.gz IYZAARXKHJQQDT-DOMZBBRYSA-N 1 1 347.231 4.398 20 30 EIEDMO CC(C)(CCC#N)CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897571918 1047267649 /nfs/dbraw/zinc/26/76/49/1047267649.db2.gz BINBQJLJGLTZGL-UHFFFAOYSA-N 1 1 339.527 4.403 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1O ZINC000788668000 1047268134 /nfs/dbraw/zinc/26/81/34/1047268134.db2.gz WFGJZAFZKGXXRM-SNVBAGLBSA-N 1 1 338.304 4.273 20 30 EIEDMO CC1(C)C[C@H]([N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)C(C)(C)O1 ZINC000537467935 1047400526 /nfs/dbraw/zinc/40/05/26/1047400526.db2.gz SWZDHELFFYESPI-IBGZPJMESA-N 1 1 338.451 4.500 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154753413 1047505899 /nfs/dbraw/zinc/50/58/99/1047505899.db2.gz ZYNRHPUXLZOWRW-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064277 1047919414 /nfs/dbraw/zinc/91/94/14/1047919414.db2.gz CNBBVWIWLZICNI-IIBYNOLFSA-N 1 1 346.478 4.427 20 30 EIEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072776111 1048077273 /nfs/dbraw/zinc/07/72/73/1048077273.db2.gz SWCURZGYYAPJGH-WBVHZDCISA-N 1 1 345.512 4.141 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000499057792 1048118371 /nfs/dbraw/zinc/11/83/71/1048118371.db2.gz UYMKIRXXFJGTDJ-GJZGRUSLSA-N 1 1 346.471 4.141 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000499057792 1048118376 /nfs/dbraw/zinc/11/83/76/1048118376.db2.gz UYMKIRXXFJGTDJ-GJZGRUSLSA-N 1 1 346.471 4.141 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000814667912 1048121980 /nfs/dbraw/zinc/12/19/80/1048121980.db2.gz YZMADBMZANVFPX-QGZVFWFLSA-N 1 1 326.827 4.232 20 30 EIEDMO C[C@@H]1C(N=Nc2nncc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000814705787 1048131647 /nfs/dbraw/zinc/13/16/47/1048131647.db2.gz NEICVPKOXMUFGD-MRXNPFEDSA-N 1 1 345.450 4.082 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000499054560 1048134016 /nfs/dbraw/zinc/13/40/16/1048134016.db2.gz RRPQFDYCVJHDHI-IRXDYDNUSA-N 1 1 342.508 4.045 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000499054560 1048134033 /nfs/dbraw/zinc/13/40/33/1048134033.db2.gz RRPQFDYCVJHDHI-IRXDYDNUSA-N 1 1 342.508 4.045 20 30 EIEDMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731380 1048176689 /nfs/dbraw/zinc/17/66/89/1048176689.db2.gz VVNGALMADGUPTM-AWEZNQCLSA-N 1 1 328.843 4.283 20 30 EIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731380 1048176695 /nfs/dbraw/zinc/17/66/95/1048176695.db2.gz VVNGALMADGUPTM-AWEZNQCLSA-N 1 1 328.843 4.283 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnc(Br)c1 ZINC000815028098 1048308672 /nfs/dbraw/zinc/30/86/72/1048308672.db2.gz QJFKPFODGKBUSW-UHFFFAOYSA-N 1 1 331.257 4.075 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000919944857 1048329011 /nfs/dbraw/zinc/32/90/11/1048329011.db2.gz RCBGHTPAEKKJAL-UHFFFAOYSA-N 1 1 326.440 4.389 20 30 EIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001171134093 1048414622 /nfs/dbraw/zinc/41/46/22/1048414622.db2.gz VSUPKSYUQHFZTJ-SFHVURJKSA-N 1 1 339.370 4.251 20 30 EIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001171134093 1048414629 /nfs/dbraw/zinc/41/46/29/1048414629.db2.gz VSUPKSYUQHFZTJ-SFHVURJKSA-N 1 1 339.370 4.251 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OCC)c1O ZINC000809705542 1048486830 /nfs/dbraw/zinc/48/68/30/1048486830.db2.gz VDKJILQEGQVZNP-UHFFFAOYSA-N 1 1 343.471 4.147 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000844926406 1048549884 /nfs/dbraw/zinc/54/98/84/1048549884.db2.gz ZRDJWIREGGHTKB-AWEZNQCLSA-N 1 1 348.849 4.267 20 30 EIEDMO Cc1cc(C#N)cnc1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170589581 1048563910 /nfs/dbraw/zinc/56/39/10/1048563910.db2.gz OCHICWKMZNYQDA-MRXNPFEDSA-N 1 1 349.265 4.283 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593679 1048593915 /nfs/dbraw/zinc/59/39/15/1048593915.db2.gz NJHFHPLNJIYXIA-KUHUBIRLSA-N 1 1 326.827 4.426 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170593677 1048595019 /nfs/dbraw/zinc/59/50/19/1048595019.db2.gz NJHFHPLNJIYXIA-AUUYWEPGSA-N 1 1 326.827 4.426 20 30 EIEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000810137591 1048642620 /nfs/dbraw/zinc/64/26/20/1048642620.db2.gz UXOCJJCDWCTMMR-OAHLLOKOSA-N 1 1 349.459 4.445 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001135305872 1048651398 /nfs/dbraw/zinc/65/13/98/1048651398.db2.gz ADYRQKAGEOCQBC-QGZVFWFLSA-N 1 1 348.899 4.219 20 30 EIEDMO [NH2+]=C(Nc1ccc(-c2cccnc2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171184697 1048675606 /nfs/dbraw/zinc/67/56/06/1048675606.db2.gz PDRVUBLEWFQWAO-UHFFFAOYSA-N 1 1 340.386 4.039 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(Cl)c1 ZINC000615231422 1048737780 /nfs/dbraw/zinc/73/77/80/1048737780.db2.gz ZOYCCDUQJCAUJG-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(Cl)c1 ZINC000615231422 1048737790 /nfs/dbraw/zinc/73/77/90/1048737790.db2.gz ZOYCCDUQJCAUJG-QGZVFWFLSA-N 1 1 330.790 4.004 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001135483776 1048747571 /nfs/dbraw/zinc/74/75/71/1048747571.db2.gz LVGYTEBJEVBDOV-MJBXVCDLSA-N 1 1 340.920 4.177 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1Br ZINC001171202356 1048761680 /nfs/dbraw/zinc/76/16/80/1048761680.db2.gz BUVPEXGBCWCZHP-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO CCC1CC(=O)C(=CNc2ccc([N@H+](CC)C(C)C)cc2)C(=O)C1 ZINC000920976695 1048830210 /nfs/dbraw/zinc/83/02/10/1048830210.db2.gz PGBAIKRRQZSRPN-UHFFFAOYSA-N 1 1 328.456 4.175 20 30 EIEDMO CCC1CC(=O)C(=CNc2ccc([N@@H+](CC)C(C)C)cc2)C(=O)C1 ZINC000920976695 1048830213 /nfs/dbraw/zinc/83/02/13/1048830213.db2.gz PGBAIKRRQZSRPN-UHFFFAOYSA-N 1 1 328.456 4.175 20 30 EIEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)cc1 ZINC001144744109 1048848584 /nfs/dbraw/zinc/84/85/84/1048848584.db2.gz KKXUQNFXNXJVKG-GOSISDBHSA-N 1 1 349.459 4.211 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171228726 1048867193 /nfs/dbraw/zinc/86/71/93/1048867193.db2.gz IJJAAWGGUJBYTI-ROUUACIJSA-N 1 1 344.462 4.409 20 30 EIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC(OC(C)(C)C)C1 ZINC000817287242 1048928230 /nfs/dbraw/zinc/92/82/30/1048928230.db2.gz LUCNHEZXYFIZPK-UHFFFAOYSA-N 1 1 336.863 4.020 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC001132594692 1048943060 /nfs/dbraw/zinc/94/30/60/1048943060.db2.gz XUDVROGKYIVZHY-HXUWFJFHSA-N 1 1 340.511 4.294 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000817364265 1048959302 /nfs/dbraw/zinc/95/93/02/1048959302.db2.gz FTDUPNXYVMWSEJ-OAHLLOKOSA-N 1 1 348.372 4.044 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000817364265 1048959319 /nfs/dbraw/zinc/95/93/19/1048959319.db2.gz FTDUPNXYVMWSEJ-OAHLLOKOSA-N 1 1 348.372 4.044 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027842 1048983671 /nfs/dbraw/zinc/98/36/71/1048983671.db2.gz DFVILRHDTQRTKI-MSOLQXFVSA-N 1 1 332.447 4.026 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CCC2)cc1 ZINC000847055080 1048989092 /nfs/dbraw/zinc/98/90/92/1048989092.db2.gz XERWCOWERGGPTG-UHFFFAOYSA-N 1 1 341.798 4.289 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064349127 1049052818 /nfs/dbraw/zinc/05/28/18/1049052818.db2.gz SZAQJVRSOPRKEP-MRXNPFEDSA-N 1 1 326.440 4.016 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000064349220 1049053528 /nfs/dbraw/zinc/05/35/28/1049053528.db2.gz VHDNZVKONXSLJC-OAHLLOKOSA-N 1 1 347.418 4.326 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000064349220 1049053547 /nfs/dbraw/zinc/05/35/47/1049053547.db2.gz VHDNZVKONXSLJC-OAHLLOKOSA-N 1 1 347.418 4.326 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432243 1049061544 /nfs/dbraw/zinc/06/15/44/1049061544.db2.gz WYKBVWPQVCPKTF-HNNXBMFYSA-N 1 1 326.415 4.159 20 30 EIEDMO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811454430 1049070094 /nfs/dbraw/zinc/07/00/94/1049070094.db2.gz JOYNADAEFYGKSS-UHFFFAOYSA-N 1 1 339.748 4.257 20 30 EIEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811454430 1049070110 /nfs/dbraw/zinc/07/01/10/1049070110.db2.gz JOYNADAEFYGKSS-UHFFFAOYSA-N 1 1 339.748 4.257 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(Cl)cc1 ZINC000811516811 1049103379 /nfs/dbraw/zinc/10/33/79/1049103379.db2.gz BVQPDSPWQKTCOA-QGZVFWFLSA-N 1 1 329.827 4.211 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+](CCCC)C2CCCCC2)cc1 ZINC001170638087 1049151082 /nfs/dbraw/zinc/15/10/82/1049151082.db2.gz FYPIQPPYWYAUQZ-UHFFFAOYSA-N 1 1 326.484 4.431 20 30 EIEDMO C=CCC1(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC001147443479 1049158610 /nfs/dbraw/zinc/15/86/10/1049158610.db2.gz QDZWKXMYSOMXPI-SFHVURJKSA-N 1 1 344.474 4.043 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nc(C)sc2C)c1 ZINC000772982289 1049192336 /nfs/dbraw/zinc/19/23/36/1049192336.db2.gz BSNUCZLIRTZULE-BLLLJJGKSA-N 1 1 329.469 4.292 20 30 EIEDMO COc1ccc(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)cc1O ZINC000811699801 1049244291 /nfs/dbraw/zinc/24/42/91/1049244291.db2.gz ZRKWXHLMWFYBDR-HJWRWDBZSA-N 1 1 336.391 4.068 20 30 EIEDMO COc1ccc(Cl)c2c1C[C@H]([N@@H+](CCC#N)C1CCCC1)CC2 ZINC001171322033 1049272888 /nfs/dbraw/zinc/27/28/88/1049272888.db2.gz RBPNUZXFNFEGCW-OAHLLOKOSA-N 1 1 332.875 4.364 20 30 EIEDMO N#Cc1ccc(Cl)cc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000609892840 1049385652 /nfs/dbraw/zinc/38/56/52/1049385652.db2.gz CKQJITLRXFZJID-KRWDZBQOSA-N 1 1 339.870 4.188 20 30 EIEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001171354086 1049508892 /nfs/dbraw/zinc/50/88/92/1049508892.db2.gz PKDGATUPDVVPQH-QGZVFWFLSA-N 1 1 338.289 4.049 20 30 EIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cnc2[nH]cc(SC)c21 ZINC001171373178 1049541068 /nfs/dbraw/zinc/54/10/68/1049541068.db2.gz PQCXHSZEPAQSFY-LBPRGKRZSA-N 1 1 340.452 4.418 20 30 EIEDMO CCc1ccc([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC001170684897 1049562024 /nfs/dbraw/zinc/56/20/24/1049562024.db2.gz YSWHDVKVKUGFGK-NRFANRHFSA-N 1 1 334.463 4.379 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793598 1049589120 /nfs/dbraw/zinc/58/91/20/1049589120.db2.gz WRHVZUWWQCWMIF-INIZCTEOSA-N 1 1 325.280 4.448 20 30 EIEDMO C#CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000773113176 1049591121 /nfs/dbraw/zinc/59/11/21/1049591121.db2.gz CCVXRUHSCIFHBE-FOIQADDNSA-N 1 1 348.425 4.130 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812795491 1049593129 /nfs/dbraw/zinc/59/31/29/1049593129.db2.gz ZHBFANOYUUDJSQ-QGZVFWFLSA-N 1 1 337.316 4.231 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC1CC1 ZINC000081043413 1049617831 /nfs/dbraw/zinc/61/78/31/1049617831.db2.gz QLGHGUITVPNLQL-UHFFFAOYSA-N 1 1 333.435 4.065 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC1CC1 ZINC000081043413 1049617837 /nfs/dbraw/zinc/61/78/37/1049617837.db2.gz QLGHGUITVPNLQL-UHFFFAOYSA-N 1 1 333.435 4.065 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1C ZINC000067984832 1049670651 /nfs/dbraw/zinc/67/06/51/1049670651.db2.gz CWNLOYVQPLMWCR-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1C ZINC000067984832 1049670664 /nfs/dbraw/zinc/67/06/64/1049670664.db2.gz CWNLOYVQPLMWCR-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001171489250 1049719394 /nfs/dbraw/zinc/71/93/94/1049719394.db2.gz DZFKQECQHNIBED-GFCCVEGCSA-N 1 1 326.665 4.338 20 30 EIEDMO Fc1ccc(C#CC[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC001171533236 1049733990 /nfs/dbraw/zinc/73/39/90/1049733990.db2.gz RUQBWAZPZAMLRA-UHFFFAOYSA-N 1 1 329.365 4.335 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000822525523 1049767729 /nfs/dbraw/zinc/76/77/29/1049767729.db2.gz HUXPBZKKVVESET-KRWDZBQOSA-N 1 1 332.451 4.101 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC3(CCCC3)CC2)c(C#N)c1C ZINC001171917250 1049819118 /nfs/dbraw/zinc/81/91/18/1049819118.db2.gz VJTGTNUVZALAHA-HNNXBMFYSA-N 1 1 343.471 4.141 20 30 EIEDMO Cc1cc(Cl)cc2cc(-c3noc([C@H]([NH3+])CCCC#N)n3)oc21 ZINC000823110538 1049820875 /nfs/dbraw/zinc/82/08/75/1049820875.db2.gz YAPJWCRAMQYRFQ-GFCCVEGCSA-N 1 1 330.775 4.138 20 30 EIEDMO CCc1ccc2c(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000823617453 1049863237 /nfs/dbraw/zinc/86/32/37/1049863237.db2.gz JJPSTQYLDZEOOT-OAHLLOKOSA-N 1 1 346.430 4.420 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172311693 1049875855 /nfs/dbraw/zinc/87/58/55/1049875855.db2.gz WAWXSOXQAJEOHK-FOIQADDNSA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172311693 1049875857 /nfs/dbraw/zinc/87/58/57/1049875857.db2.gz WAWXSOXQAJEOHK-FOIQADDNSA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172313101 1049875994 /nfs/dbraw/zinc/87/59/94/1049875994.db2.gz PAIDQCRGGZZOSQ-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001172354174 1049893171 /nfs/dbraw/zinc/89/31/71/1049893171.db2.gz FORDEHLUUHYIQH-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001172354174 1049893172 /nfs/dbraw/zinc/89/31/72/1049893172.db2.gz FORDEHLUUHYIQH-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354279 1049893536 /nfs/dbraw/zinc/89/35/36/1049893536.db2.gz FZYPHKWRCHTLNK-INDMIFKZSA-N 1 1 349.519 4.149 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001172357641 1049894421 /nfs/dbraw/zinc/89/44/21/1049894421.db2.gz LFCOTNMBJQOOCP-RTBURBONSA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccccc2C(F)(F)F)CC1 ZINC001172486749 1049910987 /nfs/dbraw/zinc/91/09/87/1049910987.db2.gz HAUCZGDUQGSSCK-AWEZNQCLSA-N 1 1 339.405 4.038 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000616750714 1049916787 /nfs/dbraw/zinc/91/67/87/1049916787.db2.gz KAHKIJHFUCDCKB-FPOVZHCZSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495509 1049921772 /nfs/dbraw/zinc/92/17/72/1049921772.db2.gz FILPZMAGUIVZSM-YLJYHZDGSA-N 1 1 349.519 4.182 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001172493795 1049921996 /nfs/dbraw/zinc/92/19/96/1049921996.db2.gz CYGQRPFKGIIINZ-PKOBYXMFSA-N 1 1 347.453 4.306 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506911 1049925464 /nfs/dbraw/zinc/92/54/64/1049925464.db2.gz LWGHLQRWIZZMPO-INIZCTEOSA-N 1 1 337.508 4.038 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001172509105 1049925825 /nfs/dbraw/zinc/92/58/25/1049925825.db2.gz JUDUHFGKAVFUPI-HNNXBMFYSA-N 1 1 343.471 4.474 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172510299 1049925932 /nfs/dbraw/zinc/92/59/32/1049925932.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 1 1 325.500 4.057 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172510299 1049925935 /nfs/dbraw/zinc/92/59/35/1049925935.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 1 1 325.500 4.057 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)c1 ZINC001204091771 1049948486 /nfs/dbraw/zinc/94/84/86/1049948486.db2.gz SDXCLSPXDXDBGQ-HXUWFJFHSA-N 1 1 343.430 4.150 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645878 1049954930 /nfs/dbraw/zinc/95/49/30/1049954930.db2.gz PBHHUNIKNZMYGK-MBOZVWFJSA-N 1 1 349.519 4.180 20 30 EIEDMO CC1(C)CC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC(C)(C)O1 ZINC001172658934 1049957794 /nfs/dbraw/zinc/95/77/94/1049957794.db2.gz INRMZKZOEBZBGL-IBGZPJMESA-N 1 1 342.483 4.138 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2C(F)(F)F)no1 ZINC001212325540 1050061084 /nfs/dbraw/zinc/06/10/84/1050061084.db2.gz TZNPGPIAKPEZBH-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493924 1050115180 /nfs/dbraw/zinc/11/51/80/1050115180.db2.gz UNXSTSJRZQIRLY-XOBRGWDASA-N 1 1 340.854 4.471 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493921 1050115301 /nfs/dbraw/zinc/11/53/01/1050115301.db2.gz UNXSTSJRZQIRLY-JLTOFOAXSA-N 1 1 340.854 4.471 20 30 EIEDMO C=CC(C)(C)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617865669 1050116208 /nfs/dbraw/zinc/11/62/08/1050116208.db2.gz LKOFATVIQWAQSZ-UHFFFAOYSA-N 1 1 329.469 4.041 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc2ccccc2o1 ZINC001177294914 1050177839 /nfs/dbraw/zinc/17/78/39/1050177839.db2.gz SACPARTUEOVDDA-UHFFFAOYSA-N 1 1 325.795 4.388 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875733 1050217292 /nfs/dbraw/zinc/21/72/92/1050217292.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001172875733 1050217298 /nfs/dbraw/zinc/21/72/98/1050217298.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172875733 1050217306 /nfs/dbraw/zinc/21/73/06/1050217306.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091986768 1050297117 /nfs/dbraw/zinc/29/71/17/1050297117.db2.gz XBKPLXZOFQJXQB-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091986768 1050297130 /nfs/dbraw/zinc/29/71/30/1050297130.db2.gz XBKPLXZOFQJXQB-AWEZNQCLSA-N 1 1 334.341 4.025 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173102268 1050302506 /nfs/dbraw/zinc/30/25/06/1050302506.db2.gz ISCRQKWYPCQXSJ-GZNCHQMQSA-N 1 1 342.483 4.139 20 30 EIEDMO CCCCCCCC[C@@H](CCC)n1cncc1C[C@H]([NH3+])C(=O)OC ZINC001173309915 1050404150 /nfs/dbraw/zinc/40/41/50/1050404150.db2.gz UKLICZXJPBDSTG-AEFFLSMTSA-N 1 1 337.508 4.018 20 30 EIEDMO C=CCOC1CCC([N@@H+](CC(=O)OCC)[C@H](C)c2ccccc2)CC1 ZINC001173323301 1050415197 /nfs/dbraw/zinc/41/51/97/1050415197.db2.gz UUGKJPAVKRWWBQ-QHGAOEGBSA-N 1 1 345.483 4.127 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001173323148 1050415433 /nfs/dbraw/zinc/41/54/33/1050415433.db2.gz QOWBBGBXUQXOMA-XEVCZEQESA-N 1 1 329.484 4.388 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001173327553 1050420158 /nfs/dbraw/zinc/42/01/58/1050420158.db2.gz OHABULPHGDFLDK-TVPLGVNVSA-N 1 1 332.513 4.152 20 30 EIEDMO N#CCC1CCC([N@@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC001173341547 1050430430 /nfs/dbraw/zinc/43/04/30/1050430430.db2.gz ZLQYBRVDRGEHKV-UHFFFAOYSA-N 1 1 349.272 4.116 20 30 EIEDMO N#CCC1CCC([N@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC001173341547 1050430433 /nfs/dbraw/zinc/43/04/33/1050430433.db2.gz ZLQYBRVDRGEHKV-UHFFFAOYSA-N 1 1 349.272 4.116 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)Cc2ccccc2Br)CC1 ZINC001173320291 1050441771 /nfs/dbraw/zinc/44/17/71/1050441771.db2.gz FCFNZQBXUMFRSV-UHFFFAOYSA-N 1 1 338.289 4.395 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173592166 1050496170 /nfs/dbraw/zinc/49/61/70/1050496170.db2.gz ISLMIRDWDBQYNA-SCCNAQOGSA-N 1 1 340.467 4.057 20 30 EIEDMO COc1cccc([C@@H]2CSCC[N@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597264 1050499519 /nfs/dbraw/zinc/49/95/19/1050499519.db2.gz NTGWHOKVNXWUQX-AVAKVYKDSA-N 1 1 330.497 4.258 20 30 EIEDMO C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173599124 1050499862 /nfs/dbraw/zinc/49/98/62/1050499862.db2.gz ZXNQAVXWUKRJEH-ZRZPHAQCSA-N 1 1 349.519 4.038 20 30 EIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)ccc1Br ZINC000618741545 1050500385 /nfs/dbraw/zinc/50/03/85/1050500385.db2.gz GXTJUYRKUCIQSS-KRWDZBQOSA-N 1 1 345.215 4.237 20 30 EIEDMO COC(=O)[C@@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173600686 1050501314 /nfs/dbraw/zinc/50/13/14/1050501314.db2.gz JHNJOBKBELSTBP-HOIRFXKYSA-N 1 1 340.467 4.085 20 30 EIEDMO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658917 1050520034 /nfs/dbraw/zinc/52/00/34/1050520034.db2.gz SLCMITGOWQSIPY-FUHWJXTLSA-N 1 1 348.874 4.178 20 30 EIEDMO C#Cc1ccc(C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)cc1 ZINC001178759044 1050545885 /nfs/dbraw/zinc/54/58/85/1050545885.db2.gz RYWCGNODRWGYDC-UHFFFAOYSA-N 1 1 334.444 4.090 20 30 EIEDMO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711618 1050552939 /nfs/dbraw/zinc/55/29/39/1050552939.db2.gz FNGONXOZPAADBX-DENIHFKCSA-N 1 1 346.474 4.358 20 30 EIEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711618 1050552953 /nfs/dbraw/zinc/55/29/53/1050552953.db2.gz FNGONXOZPAADBX-DENIHFKCSA-N 1 1 346.474 4.358 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc(OC)c1O ZINC001179432399 1050690443 /nfs/dbraw/zinc/69/04/43/1050690443.db2.gz AMVHYXDOJLLLFY-UYAOXDASSA-N 1 1 341.426 4.245 20 30 EIEDMO C#CC1([NH2+]Cc2csc(COc3ccc(C)cc3)n2)CCCC1 ZINC001179437350 1050691848 /nfs/dbraw/zinc/69/18/48/1050691848.db2.gz DYZYZWDLDLNMFG-UHFFFAOYSA-N 1 1 326.465 4.066 20 30 EIEDMO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1cc[nH+]c2ccccc12 ZINC001174037780 1050716120 /nfs/dbraw/zinc/71/61/20/1050716120.db2.gz CDSOHYMXROJFAN-UHFFFAOYSA-N 1 1 345.793 4.111 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000619534814 1050814436 /nfs/dbraw/zinc/81/44/36/1050814436.db2.gz BCYUMXGCIQJFJR-MRXNPFEDSA-N 1 1 334.316 4.282 20 30 EIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881670 1050817777 /nfs/dbraw/zinc/81/77/77/1050817777.db2.gz ISDDEHDRUDMAHQ-XLIONFOSSA-N 1 1 333.479 4.077 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)ccc1C#N ZINC001180080846 1050877537 /nfs/dbraw/zinc/87/75/37/1050877537.db2.gz GXZFZIRKIXTALL-JOCHJYFZSA-N 1 1 334.463 4.412 20 30 EIEDMO CC1(C)CCC[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001180184032 1050896929 /nfs/dbraw/zinc/89/69/29/1050896929.db2.gz KCUYADJMIGKYAM-GOSISDBHSA-N 1 1 325.500 4.287 20 30 EIEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000619791997 1050918990 /nfs/dbraw/zinc/91/89/90/1050918990.db2.gz NOOIKZHSGHROBS-HUUCEWRRSA-N 1 1 340.858 4.107 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153000888 1050926972 /nfs/dbraw/zinc/92/69/72/1050926972.db2.gz BBYSBTHLHKTFRY-IBGZPJMESA-N 1 1 331.460 4.066 20 30 EIEDMO COc1cc(C[N@@H+](CCc2ccc(F)cc2)CC(C)C)ccc1C#N ZINC001180258213 1050939014 /nfs/dbraw/zinc/93/90/14/1050939014.db2.gz VGMOOBJWTJGISY-UHFFFAOYSA-N 1 1 340.442 4.407 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180280922 1050953815 /nfs/dbraw/zinc/95/38/15/1050953815.db2.gz QIKLAONZGCPNOH-KDURUIRLSA-N 1 1 344.499 4.020 20 30 EIEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196056 1051056984 /nfs/dbraw/zinc/05/69/84/1051056984.db2.gz LILPYUAGXJTJGE-LJQANCHMSA-N 1 1 340.511 4.007 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc3ccccc32)c1 ZINC001190399811 1051168806 /nfs/dbraw/zinc/16/88/06/1051168806.db2.gz QPSMBONUMIUFJH-KRWDZBQOSA-N 1 1 342.442 4.453 20 30 EIEDMO CCCCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001174781705 1051172729 /nfs/dbraw/zinc/17/27/29/1051172729.db2.gz ZPEFCOMGRXQNEW-IBGZPJMESA-N 1 1 327.472 4.322 20 30 EIEDMO CCCCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC001174781793 1051173150 /nfs/dbraw/zinc/17/31/50/1051173150.db2.gz ZYGWEYQHYWGNSR-SFHVURJKSA-N 1 1 327.472 4.322 20 30 EIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758110 1051180645 /nfs/dbraw/zinc/18/06/45/1051180645.db2.gz ACFFQVHIWPSNMU-WMLDXEAASA-N 1 1 340.389 4.031 20 30 EIEDMO C=CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1F ZINC001190484819 1051188427 /nfs/dbraw/zinc/18/84/27/1051188427.db2.gz BMAGEUXWRUVMJP-UHFFFAOYSA-N 1 1 336.451 4.071 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccccc1 ZINC000775399751 1051236160 /nfs/dbraw/zinc/23/61/60/1051236160.db2.gz UHGCTWYJBFJZMD-KRWDZBQOSA-N 1 1 344.245 4.495 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1 ZINC001190699741 1051248413 /nfs/dbraw/zinc/24/84/13/1051248413.db2.gz NLJJHTXQWWBSNO-UHFFFAOYSA-N 1 1 328.843 4.009 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1 ZINC001190699741 1051248423 /nfs/dbraw/zinc/24/84/23/1051248423.db2.gz NLJJHTXQWWBSNO-UHFFFAOYSA-N 1 1 328.843 4.009 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC001190855389 1051286452 /nfs/dbraw/zinc/28/64/52/1051286452.db2.gz QUCSXHMVFOMGNA-LJQANCHMSA-N 1 1 336.435 4.303 20 30 EIEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001190865067 1051295856 /nfs/dbraw/zinc/29/58/56/1051295856.db2.gz NOAATFBARVEMIW-UHFFFAOYSA-N 1 1 349.434 4.454 20 30 EIEDMO C=CC[N@@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)CC1CCCCC1 ZINC001190984126 1051317299 /nfs/dbraw/zinc/31/72/99/1051317299.db2.gz IEUKOXAPMIIGTG-LJQANCHMSA-N 1 1 334.504 4.208 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c1C#N ZINC001190954031 1051321649 /nfs/dbraw/zinc/32/16/49/1051321649.db2.gz GMUHEKZZLQTVNR-HXUWFJFHSA-N 1 1 336.435 4.174 20 30 EIEDMO CCCCCCCNC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001191098628 1051349840 /nfs/dbraw/zinc/34/98/40/1051349840.db2.gz ZWUDLTBEHHYEGD-UHFFFAOYSA-N 1 1 345.531 4.263 20 30 EIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194532 1051380471 /nfs/dbraw/zinc/38/04/71/1051380471.db2.gz UJPWZTMKGNAMLM-OAQYLSRUSA-N 1 1 349.478 4.148 20 30 EIEDMO CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191258211 1051396535 /nfs/dbraw/zinc/39/65/35/1051396535.db2.gz KWOPDFXIXNNNSN-IFXJQAMLSA-N 1 1 347.890 4.441 20 30 EIEDMO CCC[N@H+](CCN1CCCCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001182142231 1051404943 /nfs/dbraw/zinc/40/49/43/1051404943.db2.gz YBYDMHJEWBUTIR-UHFFFAOYSA-N 1 1 339.527 4.330 20 30 EIEDMO CCC[N@@H+](CCN1CCCCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001182142231 1051404953 /nfs/dbraw/zinc/40/49/53/1051404953.db2.gz YBYDMHJEWBUTIR-UHFFFAOYSA-N 1 1 339.527 4.330 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(OC(F)F)c1 ZINC000775448591 1051411430 /nfs/dbraw/zinc/41/14/30/1051411430.db2.gz JRWLVFFLXHJEHM-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001182205137 1051420686 /nfs/dbraw/zinc/42/06/86/1051420686.db2.gz WXROXFZMNFGUPA-OAQYLSRUSA-N 1 1 342.483 4.041 20 30 EIEDMO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1C ZINC001175166228 1051424358 /nfs/dbraw/zinc/42/43/58/1051424358.db2.gz KIUXNJKFSGULOU-UHFFFAOYSA-N 1 1 327.453 4.058 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182241858 1051447997 /nfs/dbraw/zinc/44/79/97/1051447997.db2.gz SNIXBHMIGQDNEY-OAQYLSRUSA-N 1 1 336.479 4.284 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182241858 1051448002 /nfs/dbraw/zinc/44/80/02/1051448002.db2.gz SNIXBHMIGQDNEY-OAQYLSRUSA-N 1 1 336.479 4.284 20 30 EIEDMO CCOCC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC001175301380 1051487618 /nfs/dbraw/zinc/48/76/18/1051487618.db2.gz RXWTUUJUAATQKJ-FQEVSTJZSA-N 1 1 338.426 4.223 20 30 EIEDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC001175260127 1051498913 /nfs/dbraw/zinc/49/89/13/1051498913.db2.gz LBGUFWVTXDKXIS-INIZCTEOSA-N 1 1 337.508 4.086 20 30 EIEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000121392452 1051501033 /nfs/dbraw/zinc/50/10/33/1051501033.db2.gz WQELQYAIBNSRPC-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000121392452 1051501047 /nfs/dbraw/zinc/50/10/47/1051501047.db2.gz WQELQYAIBNSRPC-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccc(Cl)cc1 ZINC000183835036 1051514804 /nfs/dbraw/zinc/51/48/04/1051514804.db2.gz KWOKBJGZGUMULK-AWEZNQCLSA-N 1 1 344.842 4.177 20 30 EIEDMO C#Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001182369687 1051527043 /nfs/dbraw/zinc/52/70/43/1051527043.db2.gz OCYLPPAOHKUKLR-UHFFFAOYSA-N 1 1 335.190 4.173 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCC(=O)OC(C)C)C(C)(C)C)cc1 ZINC001192052911 1051626058 /nfs/dbraw/zinc/62/60/58/1051626058.db2.gz PMSHBDVVPVBEFA-UHFFFAOYSA-N 1 1 333.472 4.194 20 30 EIEDMO CC[N@@H+](C)Cc1cccc(CNc2nc3ccccc3cc2C#N)c1 ZINC000774517619 1051643686 /nfs/dbraw/zinc/64/36/86/1051643686.db2.gz OLFSZVOMNLENCI-UHFFFAOYSA-N 1 1 330.435 4.170 20 30 EIEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001175621784 1051677509 /nfs/dbraw/zinc/67/75/09/1051677509.db2.gz LTBBVIFUVMMDNH-QGZVFWFLSA-N 1 1 338.426 4.476 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@H](C)CSc2ccccc2)ccc1C#N ZINC001182752673 1051683965 /nfs/dbraw/zinc/68/39/65/1051683965.db2.gz CAWSRXQFGZBDPC-OAHLLOKOSA-N 1 1 326.465 4.179 20 30 EIEDMO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CC#Cc1ccccc1 ZINC001182724990 1051689490 /nfs/dbraw/zinc/68/94/90/1051689490.db2.gz CYXPEZRREIYGKZ-HXUWFJFHSA-N 1 1 335.447 4.065 20 30 EIEDMO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC#Cc1ccccc1 ZINC001182724990 1051689496 /nfs/dbraw/zinc/68/94/96/1051689496.db2.gz CYXPEZRREIYGKZ-HXUWFJFHSA-N 1 1 335.447 4.065 20 30 EIEDMO C=C(C)C[C@@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183313963 1051824682 /nfs/dbraw/zinc/82/46/82/1051824682.db2.gz VVWFERMXLUWPKM-MRXNPFEDSA-N 1 1 343.389 4.126 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001192938288 1051839661 /nfs/dbraw/zinc/83/96/61/1051839661.db2.gz OIHCCDSHESMDMU-ROUUACIJSA-N 1 1 347.503 4.302 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1C#N ZINC001183863398 1051917645 /nfs/dbraw/zinc/91/76/45/1051917645.db2.gz DEMSEWUYGKIXMB-QGZVFWFLSA-N 1 1 337.492 4.192 20 30 EIEDMO CC(C)[C@@H](C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044983 1051944913 /nfs/dbraw/zinc/94/49/13/1051944913.db2.gz GTAJJGDUYHNBIX-FGZHOGPDSA-N 1 1 334.463 4.371 20 30 EIEDMO CC(C)C1CCC(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC001184047059 1051947162 /nfs/dbraw/zinc/94/71/62/1051947162.db2.gz ZVQWSNZZXKMGSL-GRERDSQWSA-N 1 1 326.484 4.394 20 30 EIEDMO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1C ZINC001193898455 1052024291 /nfs/dbraw/zinc/02/42/91/1052024291.db2.gz MQTGCCRBBYZHGY-UHFFFAOYSA-N 1 1 339.870 4.151 20 30 EIEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222271 1052111228 /nfs/dbraw/zinc/11/12/28/1052111228.db2.gz QPHYNKZAGJIDJZ-UWJYYQICSA-N 1 1 347.462 4.360 20 30 EIEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001194533577 1052164398 /nfs/dbraw/zinc/16/43/98/1052164398.db2.gz DVTASRRKDCGVEV-GOSISDBHSA-N 1 1 333.863 4.051 20 30 EIEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CC#Cc1ccccc1Cl ZINC001176921467 1052203853 /nfs/dbraw/zinc/20/38/53/1052203853.db2.gz NCSQMOWMFNUYEO-UHFFFAOYSA-N 1 1 335.838 4.031 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(CNC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000185158456 1052495542 /nfs/dbraw/zinc/49/55/42/1052495542.db2.gz GXJUXFQHCFWIPF-SFHVURJKSA-N 1 1 343.515 4.112 20 30 EIEDMO C=CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000172421319 1052496576 /nfs/dbraw/zinc/49/65/76/1052496576.db2.gz LOOQJWKWYWLSCA-ZDUSSCGKSA-N 1 1 328.378 4.321 20 30 EIEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000072697598 1052571076 /nfs/dbraw/zinc/57/10/76/1052571076.db2.gz ILUUJCAFLQRZLI-HRCADAONSA-N 1 1 345.512 4.140 20 30 EIEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000112357591 1052647060 /nfs/dbraw/zinc/64/70/60/1052647060.db2.gz UWWGRELOJREHEW-SFHVURJKSA-N 1 1 341.480 4.196 20 30 EIEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000122876124 1052760518 /nfs/dbraw/zinc/76/05/18/1052760518.db2.gz DFDPKSQGEJYOOI-KRWDZBQOSA-N 1 1 335.451 4.115 20 30 EIEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000122876124 1052760524 /nfs/dbraw/zinc/76/05/24/1052760524.db2.gz DFDPKSQGEJYOOI-KRWDZBQOSA-N 1 1 335.451 4.115 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+](CCC)CC2)cc1 ZINC000764639712 1053244071 /nfs/dbraw/zinc/24/40/71/1053244071.db2.gz SKFVDUXAHBMFMG-INIZCTEOSA-N 1 1 336.907 4.343 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CCC)CC2)cc1 ZINC000764639712 1053244096 /nfs/dbraw/zinc/24/40/96/1053244096.db2.gz SKFVDUXAHBMFMG-INIZCTEOSA-N 1 1 336.907 4.343 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ncnc3ccsc32)cc1 ZINC000764842090 1053333472 /nfs/dbraw/zinc/33/34/72/1053333472.db2.gz WBBILBUUUYHNQO-UHFFFAOYSA-N 1 1 348.435 4.022 20 30 EIEDMO CCC[N@@H+](CCOCCC#N)[C@@H](C)c1ccccc1Br ZINC000338929584 1053340239 /nfs/dbraw/zinc/34/02/39/1053340239.db2.gz QBXRGCNMXPZJKX-AWEZNQCLSA-N 1 1 339.277 4.152 20 30 EIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC001195464364 1053408213 /nfs/dbraw/zinc/40/82/13/1053408213.db2.gz UEZWPZPWPUIHAA-GFCCVEGCSA-N 1 1 326.665 4.338 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC001195464364 1053408227 /nfs/dbraw/zinc/40/82/27/1053408227.db2.gz UEZWPZPWPUIHAA-GFCCVEGCSA-N 1 1 326.665 4.338 20 30 EIEDMO CCCn1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000865524172 1053535198 /nfs/dbraw/zinc/53/51/98/1053535198.db2.gz IOLWHBAVORMRTP-MRXNPFEDSA-N 1 1 345.450 4.078 20 30 EIEDMO C#CC[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C1CSC1 ZINC001195978744 1053539150 /nfs/dbraw/zinc/53/91/50/1053539150.db2.gz OWCGHMSIWRJYSL-UHFFFAOYSA-N 1 1 348.924 4.031 20 30 EIEDMO C#CC[N@H+](CCSc1ccnc2cc(Cl)ccc21)C1CSC1 ZINC001195978744 1053539160 /nfs/dbraw/zinc/53/91/60/1053539160.db2.gz OWCGHMSIWRJYSL-UHFFFAOYSA-N 1 1 348.924 4.031 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C2CC2)cc1 ZINC000120728288 1053589670 /nfs/dbraw/zinc/58/96/70/1053589670.db2.gz HETAXBFOSWSPEJ-UHFFFAOYSA-N 1 1 349.478 4.210 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001196322102 1053638589 /nfs/dbraw/zinc/63/85/89/1053638589.db2.gz KUFMPJWJVQVNRH-SZPZYZBQSA-N 1 1 346.474 4.403 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001196328906 1053640826 /nfs/dbraw/zinc/64/08/26/1053640826.db2.gz KBJUEARGAUPUKQ-BETUJISGSA-N 1 1 326.318 4.297 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001196392800 1053654212 /nfs/dbraw/zinc/65/42/12/1053654212.db2.gz JTDPUJAKKHFQRQ-MRXNPFEDSA-N 1 1 342.389 4.225 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261445 1053667084 /nfs/dbraw/zinc/66/70/84/1053667084.db2.gz UPJXRNYOBSHGTD-QHCPKHFHSA-N 1 1 349.522 4.386 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1O ZINC000866369160 1053705849 /nfs/dbraw/zinc/70/58/49/1053705849.db2.gz BGJUXDSXKHFVHZ-LKFCYVNXSA-N 1 1 332.325 4.019 20 30 EIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccc(C#N)c(F)c2)c2ccccn21 ZINC000776725773 1053803464 /nfs/dbraw/zinc/80/34/64/1053803464.db2.gz FKSNVEGBIKVFGR-HJWRWDBZSA-N 1 1 333.366 4.365 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936788 1053808756 /nfs/dbraw/zinc/80/87/56/1053808756.db2.gz URFIWZIAIZBTQV-WIYYLYMNSA-N 1 1 325.500 4.206 20 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C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872129548 1054404199 /nfs/dbraw/zinc/40/41/99/1054404199.db2.gz CINHVYZWCJFJQI-QWRGUYRKSA-N 1 1 335.329 4.089 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1C#N ZINC000858025743 1054404211 /nfs/dbraw/zinc/40/42/11/1054404211.db2.gz LIEONQDYJXYZGB-OAQYLSRUSA-N 1 1 347.462 4.183 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000872181655 1054423398 /nfs/dbraw/zinc/42/33/98/1054423398.db2.gz OKZNTXQBKMQVGM-GHMZBOCLSA-N 1 1 349.715 4.290 20 30 EIEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011871 1054444499 /nfs/dbraw/zinc/44/44/99/1054444499.db2.gz BYBWBDVSLGAMHI-YOEHRIQHSA-N 1 1 339.405 4.199 20 30 EIEDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761745 1054463709 /nfs/dbraw/zinc/46/37/09/1054463709.db2.gz ZXAQQURXCPUUDR-ROUUACIJSA-N 1 1 339.527 4.088 20 30 EIEDMO C=CCSc1ccccc1C(=O)OCCCCn1cc[nH+]c1C ZINC000777076699 1054608507 /nfs/dbraw/zinc/60/85/07/1054608507.db2.gz QHSCRUPJJIRHGJ-UHFFFAOYSA-N 1 1 330.453 4.107 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282209466 1054610914 /nfs/dbraw/zinc/61/09/14/1054610914.db2.gz XULJOFJNIHRQOX-QFBILLFUSA-N 1 1 334.467 4.032 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283428 1054655959 /nfs/dbraw/zinc/65/59/59/1054655959.db2.gz VTWMSSANDOPKBM-MRXNPFEDSA-N 1 1 349.434 4.016 20 30 EIEDMO CCCCCCC[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001201776936 1054918879 /nfs/dbraw/zinc/91/88/79/1054918879.db2.gz PNWYLFHXDZMYLZ-UHFFFAOYSA-N 1 1 345.487 4.369 20 30 EIEDMO C#CCOc1ccccc1CNc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC001201865311 1054925186 /nfs/dbraw/zinc/92/51/86/1054925186.db2.gz XRIJFAFGZADXOW-UHFFFAOYSA-N 1 1 331.419 4.075 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562032 1054928546 /nfs/dbraw/zinc/92/85/46/1054928546.db2.gz OCWXXKLGAPKSSW-KURKYZTESA-N 1 1 349.519 4.038 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201840179 1054933047 /nfs/dbraw/zinc/93/30/47/1054933047.db2.gz WBZFGMYDGRBROR-WOJBJXKFSA-N 1 1 343.515 4.007 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201874801 1054941512 /nfs/dbraw/zinc/94/15/12/1054941512.db2.gz GXRBTLUHPJEALH-LJQANCHMSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCCC[N@@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001201874933 1054941713 /nfs/dbraw/zinc/94/17/13/1054941713.db2.gz LQTCLCRCYZUYMA-UHFFFAOYSA-N 1 1 340.552 4.086 20 30 EIEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000339032174 1055005983 /nfs/dbraw/zinc/00/59/83/1055005983.db2.gz CSBWOWGAWMWDMB-INIZCTEOSA-N 1 1 326.362 4.163 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000877096170 1055019729 /nfs/dbraw/zinc/01/97/29/1055019729.db2.gz YLABIMSZFRIZES-MRXNPFEDSA-N 1 1 339.826 4.143 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000877137583 1055025860 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4.360 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(CSC(F)F)o1)C2 ZINC000862542590 1055081979 /nfs/dbraw/zinc/08/19/79/1055081979.db2.gz UOZOPYHLIVDKMR-UHFFFAOYSA-N 1 1 348.418 4.360 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043086 1055103550 /nfs/dbraw/zinc/10/35/50/1055103550.db2.gz NZPYTLHGTYSPFM-GRYCIOLGSA-N 1 1 329.391 4.034 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1cccs1)c1ccccc1 ZINC000877970595 1055164913 /nfs/dbraw/zinc/16/49/13/1055164913.db2.gz PAVUSDYOTKTGCF-BEFAXECRSA-N 1 1 326.465 4.182 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](CC1CC1)C1CCCCC1)c1ccccc1 ZINC000878045878 1055179389 /nfs/dbraw/zinc/17/93/89/1055179389.db2.gz NPVVYUSDLNUUAD-QFIPXVFZSA-N 1 1 338.495 4.472 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C)c1ccccc1 ZINC000878109171 1055189219 /nfs/dbraw/zinc/18/92/19/1055189219.db2.gz NEHYTLHSNXOXOQ-RZFNWQHOSA-N 1 1 346.474 4.305 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186306708 1055339731 /nfs/dbraw/zinc/33/97/31/1055339731.db2.gz YXCAFLATBJVJSO-KRWDZBQOSA-N 1 1 325.481 4.395 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649128 1055367178 /nfs/dbraw/zinc/36/71/78/1055367178.db2.gz XKKCMJWVRQGJTD-GGAORHGYSA-N 1 1 346.474 4.307 20 30 EIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C#N)cc4F)C3)nc2c1 ZINC000130837832 1055719321 /nfs/dbraw/zinc/71/93/21/1055719321.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C#N)cc4F)C3)[nH]c2c1 ZINC000130837832 1055719352 /nfs/dbraw/zinc/71/93/52/1055719352.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)cc4F)C3)[nH]c2c1 ZINC000130837832 1055719376 /nfs/dbraw/zinc/71/93/76/1055719376.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 1 1 348.425 4.262 20 30 EIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422255 1055806740 /nfs/dbraw/zinc/80/67/40/1055806740.db2.gz KAMJHKHLKNDGPZ-PMACEKPBSA-N 1 1 342.389 4.189 20 30 EIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422260 1055806913 /nfs/dbraw/zinc/80/69/13/1055806913.db2.gz KAMJHKHLKNDGPZ-VQTJNVASSA-N 1 1 342.389 4.189 20 30 EIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067602 1055837106 /nfs/dbraw/zinc/83/71/06/1055837106.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067602 1055837125 /nfs/dbraw/zinc/83/71/25/1055837125.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067602 1055837129 /nfs/dbraw/zinc/83/71/29/1055837129.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 1 1 333.479 4.140 20 30 EIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301100809 1055894860 /nfs/dbraw/zinc/89/48/60/1055894860.db2.gz QEVJWOIBOJMGFE-OAHLLOKOSA-N 1 1 325.843 4.095 20 30 EIEDMO N#Cc1cccc(Cl)c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301365037 1055926304 /nfs/dbraw/zinc/92/63/04/1055926304.db2.gz PTQAIVKNWKQMMH-UHFFFAOYSA-N 1 1 336.826 4.111 20 30 EIEDMO N#Cc1cc(F)ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301404324 1055933535 /nfs/dbraw/zinc/93/35/35/1055933535.db2.gz SOKUUNQVGMLSAD-IHWFROFDSA-N 1 1 335.426 4.305 20 30 EIEDMO N#Cc1cc(F)ccc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301410262 1055933856 /nfs/dbraw/zinc/93/38/56/1055933856.db2.gz OPNSKZGXTFFOCG-AWEZNQCLSA-N 1 1 329.444 4.083 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000301492371 1055942155 /nfs/dbraw/zinc/94/21/55/1055942155.db2.gz IAEOJLMTFXJPEX-STQMWFEESA-N 1 1 343.298 4.457 20 30 EIEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988193 1055974680 /nfs/dbraw/zinc/97/46/80/1055974680.db2.gz YOGOPEPVIUPIBV-PBHICJAKSA-N 1 1 338.455 4.255 20 30 EIEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988195 1055975864 /nfs/dbraw/zinc/97/58/64/1055975864.db2.gz YOGOPEPVIUPIBV-WMLDXEAASA-N 1 1 338.455 4.255 20 30 EIEDMO Cc1ccc(CNc2ccc(Cl)cc2C#N)c(N2CCCC2)[nH+]1 ZINC000302070749 1056015157 /nfs/dbraw/zinc/01/51/57/1056015157.db2.gz YHQDSFOTVQNPTJ-UHFFFAOYSA-N 1 1 326.831 4.127 20 30 EIEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057439277 1056061587 /nfs/dbraw/zinc/06/15/87/1056061587.db2.gz ONVYPIGMJPLYIH-CQSZACIVSA-N 1 1 345.512 4.092 20 30 EIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109093974 1056374606 /nfs/dbraw/zinc/37/46/06/1056374606.db2.gz YJFVWJBWQZOUDF-HNNXBMFYSA-N 1 1 347.418 4.326 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(F)cc(C#N)cc2F)cc1F ZINC000109809616 1056532058 /nfs/dbraw/zinc/53/20/58/1056532058.db2.gz HUYAGSZYVYCDCW-UHFFFAOYSA-N 1 1 342.324 4.082 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000198385048 1056574199 /nfs/dbraw/zinc/57/41/99/1056574199.db2.gz MWENTWVYBDDZNL-UHFFFAOYSA-N 1 1 347.871 4.124 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000252465864 1056735483 /nfs/dbraw/zinc/73/54/83/1056735483.db2.gz PPORAFBTIHICAP-YLJYHZDGSA-N 1 1 347.462 4.012 20 30 EIEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087382 1056744253 /nfs/dbraw/zinc/74/42/53/1056744253.db2.gz PYIZVIPUAPHUGT-CQSZACIVSA-N 1 1 344.503 4.151 20 30 EIEDMO C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000111217667 1056774315 /nfs/dbraw/zinc/77/43/15/1056774315.db2.gz CWWWJFWKRJUEON-STQMWFEESA-N 1 1 325.378 4.109 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261362 1056779302 /nfs/dbraw/zinc/77/93/02/1056779302.db2.gz ZMMFTXOSFQRPLD-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075766207 1056811997 /nfs/dbraw/zinc/81/19/97/1056811997.db2.gz NBOZNUVBQXLBSB-GOSISDBHSA-N 1 1 338.455 4.399 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc(Cl)c1 ZINC000063505097 1056813782 /nfs/dbraw/zinc/81/37/82/1056813782.db2.gz JKJGJFNCFMNSQS-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CC[C@H](C)Oc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OC ZINC000742381963 1058584166 /nfs/dbraw/zinc/58/41/66/1058584166.db2.gz UYWBILMEUIHOOG-AWEZNQCLSA-N 1 1 342.414 4.173 20 30 EIEDMO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829788788 1058846298 /nfs/dbraw/zinc/84/62/98/1058846298.db2.gz GWDVTZPDJXVPPW-QWHCGFSZSA-N 1 1 339.266 4.056 20 30 EIEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829788788 1058846308 /nfs/dbraw/zinc/84/63/08/1058846308.db2.gz GWDVTZPDJXVPPW-QWHCGFSZSA-N 1 1 339.266 4.056 20 30 EIEDMO CCCCCCC[C@@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000743543749 1059040308 /nfs/dbraw/zinc/04/03/08/1059040308.db2.gz JQOKEAZVBPKKPD-MVCQKVDPSA-N 1 1 337.552 4.298 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000743842650 1059137659 /nfs/dbraw/zinc/13/76/59/1059137659.db2.gz JJEXYQIWYULEND-AUUYWEPGSA-N 1 1 328.843 4.328 20 30 EIEDMO C=CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)CC1CCCCC1 ZINC000743849674 1059148174 /nfs/dbraw/zinc/14/81/74/1059148174.db2.gz ZRUIDEOBMLMORK-UHFFFAOYSA-N 1 1 329.419 4.444 20 30 EIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC000743853644 1059154648 /nfs/dbraw/zinc/15/46/48/1059154648.db2.gz BFULAPLSNJBEOA-JOCHJYFZSA-N 1 1 349.478 4.230 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000744405169 1059466155 /nfs/dbraw/zinc/46/61/55/1059466155.db2.gz DYJUBQGCEKJASG-MRXNPFEDSA-N 1 1 328.378 4.001 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000744405169 1059466196 /nfs/dbraw/zinc/46/61/96/1059466196.db2.gz DYJUBQGCEKJASG-MRXNPFEDSA-N 1 1 328.378 4.001 20 30 EIEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)co2)cc1 ZINC000744447170 1059517881 /nfs/dbraw/zinc/51/78/81/1059517881.db2.gz JTSHOIMTVJNUFU-INIZCTEOSA-N 1 1 347.418 4.231 20 30 EIEDMO COCC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000746149854 1060048115 /nfs/dbraw/zinc/04/81/15/1060048115.db2.gz GLSJMXRCUCYPBA-GOSISDBHSA-N 1 1 338.451 4.037 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000746297522 1060083156 /nfs/dbraw/zinc/08/31/56/1060083156.db2.gz ZSIHUCMPSNLGKO-UHFFFAOYSA-N 1 1 349.478 4.189 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cn3ccccc3n2)cc1 ZINC001169009581 1060574308 /nfs/dbraw/zinc/57/43/08/1060574308.db2.gz RNFCXBOPLQHHDO-OAQYLSRUSA-N 1 1 346.478 4.312 20 30 EIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)cc1OC)[C@H]2C ZINC001169163006 1060673493 /nfs/dbraw/zinc/67/34/93/1060673493.db2.gz KSENSSZRAMHFLJ-GJZGRUSLSA-N 1 1 336.435 4.083 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(Nc2cccn(CC3CC3)c2=O)cc1 ZINC001169454359 1060821598 /nfs/dbraw/zinc/82/15/98/1060821598.db2.gz HHHIYXGNAFFLID-NRFANRHFSA-N 1 1 349.478 4.325 20 30 EIEDMO C#CC[N@@H+](CC)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000766897347 1061055970 /nfs/dbraw/zinc/05/59/70/1061055970.db2.gz CYXZEBOTHWGWKV-UHFFFAOYSA-N 1 1 334.891 4.139 20 30 EIEDMO C#CCCC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000766934250 1061063212 /nfs/dbraw/zinc/06/32/12/1061063212.db2.gz DZGAWIPSZMZZBK-QGZVFWFLSA-N 1 1 329.488 4.175 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532268173 1032126940 /nfs/dbraw/zinc/12/69/40/1032126940.db2.gz CVNQGHGVOGAKSD-HNNXBMFYSA-N 1 1 340.389 4.031 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000729682757 1032148356 /nfs/dbraw/zinc/14/83/56/1032148356.db2.gz HZTNHWRZBOCRAO-UHFFFAOYSA-N 1 1 342.277 4.118 20 30 EIEDMO Cc1cnc([C@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000360078879 1032240048 /nfs/dbraw/zinc/24/00/48/1032240048.db2.gz YRTBNDIEOUPQNG-PBHICJAKSA-N 1 1 341.480 4.122 20 30 EIEDMO CCC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000508622818 1032270307 /nfs/dbraw/zinc/27/03/07/1032270307.db2.gz YMQVDVBUYMDODD-UHFFFAOYSA-N 1 1 330.435 4.361 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501511 1032275570 /nfs/dbraw/zinc/27/55/70/1032275570.db2.gz CXLZJIOYZNMLGL-UTKZUKDTSA-N 1 1 335.451 4.490 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c(F)c1 ZINC000532824831 1032332570 /nfs/dbraw/zinc/33/25/70/1032332570.db2.gz GVGPJHPGJXSUNI-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000532928839 1032392949 /nfs/dbraw/zinc/39/29/49/1032392949.db2.gz RYVXCAVHWUPPKR-CABCVRRESA-N 1 1 347.528 4.243 20 30 EIEDMO C[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941977 1032405560 /nfs/dbraw/zinc/40/55/60/1032405560.db2.gz PGFUHMSXHBDBJM-RBUKOAKNSA-N 1 1 349.478 4.057 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000532934925 1032412027 /nfs/dbraw/zinc/41/20/27/1032412027.db2.gz JMFMNTXORQEQHM-HXUWFJFHSA-N 1 1 335.451 4.360 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000533246430 1032562211 /nfs/dbraw/zinc/56/22/11/1032562211.db2.gz NVCUEBXIUIEKJD-UHFFFAOYSA-N 1 1 344.503 4.151 20 30 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CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000580682465 1022377340 /nfs/dbraw/zinc/37/73/40/1022377340.db2.gz MYSARVWLJMVKBP-MRXNPFEDSA-N 1 1 325.481 4.203 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+](C(C)C)[C@H](C)c2ccccc2)c1C#N ZINC000580691081 1022382037 /nfs/dbraw/zinc/38/20/37/1022382037.db2.gz GZAPQUOEKHNDPE-MRXNPFEDSA-N 1 1 336.435 4.316 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C#N)cc(C)n2)cc1F ZINC000376404474 1022453775 /nfs/dbraw/zinc/45/37/75/1022453775.db2.gz ZFBUVLQKKKVRAD-ZDUSSCGKSA-N 1 1 335.386 4.068 20 30 EIEDMO Cc1cc(C)c(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000064950994 1022527569 /nfs/dbraw/zinc/52/75/69/1022527569.db2.gz BKNWLFSCECZJHA-UHFFFAOYSA-N 1 1 347.506 4.191 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)cc1-c1ccnn1C ZINC000549403491 1022543444 /nfs/dbraw/zinc/54/34/44/1022543444.db2.gz ABGLOPZZXGCFAX-UHFFFAOYSA-N 1 1 335.451 4.219 20 30 EIEDMO C=CCCCN(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893197923 1022660476 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EIEDMO COc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1C#N ZINC000135168239 1023173203 /nfs/dbraw/zinc/17/32/03/1023173203.db2.gz GXDARMUPTPSMLB-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1C#N ZINC000135168239 1023173207 /nfs/dbraw/zinc/17/32/07/1023173207.db2.gz GXDARMUPTPSMLB-CYBMUJFWSA-N 1 1 337.448 4.370 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000368592160 1023191560 /nfs/dbraw/zinc/19/15/60/1023191560.db2.gz KCFRKTQQHAMAJN-FQEVSTJZSA-N 1 1 349.519 4.039 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000181129857 1023232722 /nfs/dbraw/zinc/23/27/22/1023232722.db2.gz HFZHZJOSXXYIHQ-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccnc2)cc1OC ZINC000581456481 1023236442 /nfs/dbraw/zinc/23/64/42/1023236442.db2.gz HFCAFUNTZIOVAY-MRXNPFEDSA-N 1 1 326.440 4.238 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000341185097 1023337864 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EIEDMO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000610830027 1025051294 /nfs/dbraw/zinc/05/12/94/1025051294.db2.gz YOUARGKDKYAIAQ-CVEARBPZSA-N 1 1 345.450 4.168 20 30 EIEDMO C[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893567048 1025063543 /nfs/dbraw/zinc/06/35/43/1025063543.db2.gz JJGDVPSGLBLUMX-AEFFLSMTSA-N 1 1 330.428 4.111 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000181252332 1025135573 /nfs/dbraw/zinc/13/55/73/1025135573.db2.gz TWHNYJLGUTYONG-FQEVSTJZSA-N 1 1 338.451 4.191 20 30 EIEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000181252332 1025135579 /nfs/dbraw/zinc/13/55/79/1025135579.db2.gz TWHNYJLGUTYONG-FQEVSTJZSA-N 1 1 338.451 4.191 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967570 1025172457 /nfs/dbraw/zinc/17/24/57/1025172457.db2.gz IFQUFWBISBCBDA-SFHVURJKSA-N 1 1 345.446 4.428 20 30 EIEDMO N#Cc1cc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)ccn1 ZINC000610994809 1025241752 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CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001167558603 1026375648 /nfs/dbraw/zinc/37/56/48/1026375648.db2.gz QGMPFZKCZVTGFF-MRXNPFEDSA-N 1 1 329.271 4.289 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001167558603 1026375662 /nfs/dbraw/zinc/37/56/62/1026375662.db2.gz QGMPFZKCZVTGFF-MRXNPFEDSA-N 1 1 329.271 4.289 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(C(F)(F)F)c1 ZINC000512218431 1026496566 /nfs/dbraw/zinc/49/65/66/1026496566.db2.gz JPRMULBLBSDDBJ-UHFFFAOYSA-N 1 1 339.357 4.369 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(C(F)(F)F)c1 ZINC000512218431 1026496580 /nfs/dbraw/zinc/49/65/80/1026496580.db2.gz JPRMULBLBSDDBJ-UHFFFAOYSA-N 1 1 339.357 4.369 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426721661 1026502731 /nfs/dbraw/zinc/50/27/31/1026502731.db2.gz CSOGCHQILYOUGI-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000344795916 1026598635 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C[N@@H+](Cc1ccc(Sc2ccccn2)o1)Cc1cccc(C#N)c1 ZINC000507187644 1026682238 /nfs/dbraw/zinc/68/22/38/1026682238.db2.gz LNBDRQSDKDBBRA-UHFFFAOYSA-N 1 1 335.432 4.329 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000507255312 1026723717 /nfs/dbraw/zinc/72/37/17/1026723717.db2.gz ZNFFVJGWCZXCPY-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507276305 1026727437 /nfs/dbraw/zinc/72/74/37/1026727437.db2.gz GBOZCHHZHDJZGE-OAHLLOKOSA-N 1 1 325.843 4.095 20 30 EIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360121 1026803437 /nfs/dbraw/zinc/80/34/37/1026803437.db2.gz SIAPEVLQJQJPAU-RTWAWAEBSA-N 1 1 344.462 4.364 20 30 EIEDMO O[C@@H](C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1cccs1 ZINC000135132744 1026808471 /nfs/dbraw/zinc/80/84/71/1026808471.db2.gz SQAXVTRDSFRLDT-AEFFLSMTSA-N 1 1 345.895 4.341 20 30 EIEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1cccs1 ZINC000135132744 1026808474 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Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518256 1026904384 /nfs/dbraw/zinc/90/43/84/1026904384.db2.gz RJXYNWHQDBCHCC-KRWDZBQOSA-N 1 1 349.478 4.449 20 30 EIEDMO CC(C)C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000520173886 1027274267 /nfs/dbraw/zinc/27/42/67/1027274267.db2.gz GQZLNNWRYLLUBC-UHFFFAOYSA-N 1 1 344.462 4.402 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000520174368 1027296522 /nfs/dbraw/zinc/29/65/22/1027296522.db2.gz GHCYOHHLTSDTCH-IBGZPJMESA-N 1 1 341.499 4.144 20 30 EIEDMO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000441383518 1027488953 /nfs/dbraw/zinc/48/89/53/1027488953.db2.gz LVTMEGWIETYOJV-UHFFFAOYSA-N 1 1 336.439 4.177 20 30 EIEDMO COc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1C#N ZINC000153571923 1027645533 /nfs/dbraw/zinc/64/55/33/1027645533.db2.gz GCLATVSAAQKIIP-JOCHJYFZSA-N 1 1 343.430 4.150 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(OCCCC)c2)CC1 ZINC000106246237 1027698328 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EIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)sc2c1CCC2 ZINC000328912994 1027834725 /nfs/dbraw/zinc/83/47/25/1027834725.db2.gz HUNIUGDLGPZFGO-INIZCTEOSA-N 1 1 343.496 4.351 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000444654695 1027922561 /nfs/dbraw/zinc/92/25/61/1027922561.db2.gz PKJUPUKHYIDQLI-HXUWFJFHSA-N 1 1 328.500 4.468 20 30 EIEDMO C[C@H]1CSCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444640115 1027935108 /nfs/dbraw/zinc/93/51/08/1027935108.db2.gz BEEXBPNVLJQZDY-SFHVURJKSA-N 1 1 336.504 4.324 20 30 EIEDMO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1C(C)C ZINC000331291372 1027953081 /nfs/dbraw/zinc/95/30/81/1027953081.db2.gz KSMGQGVLRAVTHF-UHFFFAOYSA-N 1 1 347.503 4.076 20 30 EIEDMO CO[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1C ZINC000444677135 1027958493 /nfs/dbraw/zinc/95/84/93/1027958493.db2.gz VTCVTLBVKSOGQP-SIKLNZKXSA-N 1 1 348.490 4.243 20 30 EIEDMO CC1CCC([N@H+](Cc2ccc(F)cc2C#N)C[C@@H]2CCCO2)CC1 ZINC000441440888 1027961695 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EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154107758 1028098969 /nfs/dbraw/zinc/09/89/69/1028098969.db2.gz ILGJUXMJDTYRMG-QFIPXVFZSA-N 1 1 346.405 4.112 20 30 EIEDMO CN(CCC#N)c1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000162569559 1028099204 /nfs/dbraw/zinc/09/92/04/1028099204.db2.gz BBLAPFJMPNNCLQ-UHFFFAOYSA-N 1 1 349.434 4.425 20 30 EIEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000150786615 1028107814 /nfs/dbraw/zinc/10/78/14/1028107814.db2.gz XSXBZYXPXQHHQK-GHTZIAJQSA-N 1 1 340.511 4.266 20 30 EIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329785862 1028122633 /nfs/dbraw/zinc/12/26/33/1028122633.db2.gz QFOXZIKJTFEKAK-AWEZNQCLSA-N 1 1 333.476 4.066 20 30 EIEDMO CC1(C)CCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000329882395 1028148265 /nfs/dbraw/zinc/14/82/65/1028148265.db2.gz PWPYMXPLEMBQRW-CYBMUJFWSA-N 1 1 334.370 4.088 20 30 EIEDMO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000329913090 1028151577 /nfs/dbraw/zinc/15/15/77/1028151577.db2.gz XCSVZQNZTMCXHM-NVXWUHKLSA-N 1 1 332.492 4.108 20 30 EIEDMO C=CC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1F ZINC000346168024 1028301443 /nfs/dbraw/zinc/30/14/43/1028301443.db2.gz HRNCNTHOZOOKTI-UHFFFAOYSA-N 1 1 327.428 4.261 20 30 EIEDMO C=CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1F ZINC000346168024 1028301464 /nfs/dbraw/zinc/30/14/64/1028301464.db2.gz HRNCNTHOZOOKTI-UHFFFAOYSA-N 1 1 327.428 4.261 20 30 EIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1OC ZINC000278172198 1028391721 /nfs/dbraw/zinc/39/17/21/1028391721.db2.gz QEWRPROLKQLENF-UHFFFAOYSA-N 1 1 345.487 4.066 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000583317310 1028498797 /nfs/dbraw/zinc/49/87/97/1028498797.db2.gz CZCJMTQLHKGWRG-OXJNMPFZSA-N 1 1 331.419 4.210 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1C ZINC000444035875 1028753188 /nfs/dbraw/zinc/75/31/88/1028753188.db2.gz BJYLSFQWVFUKBZ-PKOBYXMFSA-N 1 1 341.499 4.061 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000444082906 1028851204 /nfs/dbraw/zinc/85/12/04/1028851204.db2.gz XGXCOGOJOVECNJ-NRFANRHFSA-N 1 1 347.462 4.286 20 30 EIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121228813 1028890753 /nfs/dbraw/zinc/89/07/53/1028890753.db2.gz CTCOEWOZCGCTGS-HNNXBMFYSA-N 1 1 343.452 4.159 20 30 EIEDMO CC(C)[N@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccc(C#N)cc1 ZINC000445797139 1028910206 /nfs/dbraw/zinc/91/02/06/1028910206.db2.gz GGPPOMOVPHFIEK-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO CC(C)[N@@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccc(C#N)cc1 ZINC000445797139 1028910249 /nfs/dbraw/zinc/91/02/49/1028910249.db2.gz GGPPOMOVPHFIEK-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO N#Cc1c(F)cccc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000052473596 1028947885 /nfs/dbraw/zinc/94/78/85/1028947885.db2.gz WYZRUPWVAXPONV-UHFFFAOYSA-N 1 1 345.368 4.052 20 30 EIEDMO N#CC1(CCC[N@H+](Cc2ccc(F)cc2)CC2CC2)CCOCC1 ZINC000281930294 1028973756 /nfs/dbraw/zinc/97/37/56/1028973756.db2.gz HZRVQYYCRJDRPR-UHFFFAOYSA-N 1 1 330.447 4.138 20 30 EIEDMO C[C@H]1SCC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837412 1028985676 /nfs/dbraw/zinc/98/56/76/1028985676.db2.gz YQJPLBBJSGMYIR-UZLBHIALSA-N 1 1 338.476 4.116 20 30 EIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000522837754 1028985961 /nfs/dbraw/zinc/98/59/61/1028985961.db2.gz HKRYUJDQIIGJMO-AUUYWEPGSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000522837754 1028985974 /nfs/dbraw/zinc/98/59/74/1028985974.db2.gz HKRYUJDQIIGJMO-AUUYWEPGSA-N 1 1 326.440 4.376 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(F)c1C ZINC000444231646 1029100307 /nfs/dbraw/zinc/10/03/07/1029100307.db2.gz HQBYLZCERWJTEB-UHFFFAOYSA-N 1 1 333.451 4.115 20 30 EIEDMO CC1(C)CCCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000446059637 1029121837 /nfs/dbraw/zinc/12/18/37/1029121837.db2.gz JVKWWKPLIZCZFV-UHFFFAOYSA-N 1 1 337.467 4.250 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000522981670 1029143866 /nfs/dbraw/zinc/14/38/66/1029143866.db2.gz AIYIQUUVOFNXAL-SFHVURJKSA-N 1 1 343.515 4.026 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160950 1029327731 /nfs/dbraw/zinc/32/77/31/1029327731.db2.gz XGKLXDLTDZOAFS-LJQANCHMSA-N 1 1 336.435 4.221 20 30 EIEDMO C=CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000343499572 1029371680 /nfs/dbraw/zinc/37/16/80/1029371680.db2.gz UJKCWRBKBKNEPP-UHFFFAOYSA-N 1 1 332.451 4.001 20 30 EIEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(Br)c1 ZINC000179010035 1029403117 /nfs/dbraw/zinc/40/31/17/1029403117.db2.gz SHMIHQQOKIYWSE-UHFFFAOYSA-N 1 1 333.204 4.058 20 30 EIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](C3CC3)C1)CCC2 ZINC000329649151 1029584025 /nfs/dbraw/zinc/58/40/25/1029584025.db2.gz KDDOWTWJYPDSSI-AWEZNQCLSA-N 1 1 343.496 4.209 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000446859106 1029611409 /nfs/dbraw/zinc/61/14/09/1029611409.db2.gz YSWQSAIVDJJDMU-UHFFFAOYSA-N 1 1 333.435 4.097 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000525410894 1029623825 /nfs/dbraw/zinc/62/38/25/1029623825.db2.gz OUXQZBFDCYLRKV-LJQANCHMSA-N 1 1 336.435 4.091 20 30 EIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329681217 1029635954 /nfs/dbraw/zinc/63/59/54/1029635954.db2.gz YEHAJTDTYQUHFK-JSGCOSHPSA-N 1 1 343.496 4.207 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccccc2C#N)ccc1OCC(C)C ZINC000179059139 1029649941 /nfs/dbraw/zinc/64/99/41/1029649941.db2.gz ZCLADPJPJGCEBB-MRXNPFEDSA-N 1 1 338.451 4.452 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)c(F)c1 ZINC000187784917 1029787842 /nfs/dbraw/zinc/78/78/42/1029787842.db2.gz DCCXDWRYLYGDRU-LJQANCHMSA-N 1 1 328.362 4.252 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870843 /nfs/dbraw/zinc/87/08/43/1029870843.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870846 /nfs/dbraw/zinc/87/08/46/1029870846.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO CCOc1ccccc1OCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000441226058 1029930438 /nfs/dbraw/zinc/93/04/38/1029930438.db2.gz FYDAJLUNKRSQOY-KRWDZBQOSA-N 1 1 338.451 4.419 20 30 EIEDMO COC(=O)c1sccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000447377942 1030045388 /nfs/dbraw/zinc/04/53/88/1030045388.db2.gz YPTJGGHOSAFWAU-UHFFFAOYSA-N 1 1 342.464 4.065 20 30 EIEDMO COC(=O)c1sccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000447377942 1030045401 /nfs/dbraw/zinc/04/54/01/1030045401.db2.gz YPTJGGHOSAFWAU-UHFFFAOYSA-N 1 1 342.464 4.065 20 30 EIEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000184084053 1030047688 /nfs/dbraw/zinc/04/76/88/1030047688.db2.gz WCIKFARZIFKNNI-QGZVFWFLSA-N 1 1 341.842 4.374 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001168125713 1030107736 /nfs/dbraw/zinc/10/77/36/1030107736.db2.gz LKDUYIQXLQSBBY-UHFFFAOYSA-N 1 1 334.341 4.131 20 30 EIEDMO COCC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000450946724 1030124051 /nfs/dbraw/zinc/12/40/51/1030124051.db2.gz ZHMJJYZOSWPGOY-HNNXBMFYSA-N 1 1 327.255 4.354 20 30 EIEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845692 1030357747 /nfs/dbraw/zinc/35/77/47/1030357747.db2.gz UDXGKXVMSDYEFQ-DYESRHJHSA-N 1 1 334.463 4.351 20 30 EIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451526105 1030556781 /nfs/dbraw/zinc/55/67/81/1030556781.db2.gz HIOBIUJQSADYLS-MRXNPFEDSA-N 1 1 333.838 4.130 20 30 EIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961043 1030591650 /nfs/dbraw/zinc/59/16/50/1030591650.db2.gz VDHRCZCWBKYVAQ-DYESRHJHSA-N 1 1 335.451 4.347 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000451696641 1030650762 /nfs/dbraw/zinc/65/07/62/1030650762.db2.gz POTOGSAUDFDRQJ-BAGYTPMASA-N 1 1 346.474 4.208 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452003787 1030818845 /nfs/dbraw/zinc/81/88/45/1030818845.db2.gz GNNRIYFCWREUJM-CABCVRRESA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000925240638 1030827617 /nfs/dbraw/zinc/82/76/17/1030827617.db2.gz SXSWMPNEUFYGSJ-OAHLLOKOSA-N 1 1 327.497 4.346 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452060516 1030832018 /nfs/dbraw/zinc/83/20/18/1030832018.db2.gz MUCWEOOQXPVIIF-QGZVFWFLSA-N 1 1 346.883 4.267 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C2CC2)cc1 ZINC000349908016 1030850279 /nfs/dbraw/zinc/85/02/79/1030850279.db2.gz AYRVADRVOIWJNN-UHFFFAOYSA-N 1 1 346.409 4.048 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C2CC2)cc1 ZINC000349908016 1030850281 /nfs/dbraw/zinc/85/02/81/1030850281.db2.gz AYRVADRVOIWJNN-UHFFFAOYSA-N 1 1 346.409 4.048 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000103475236 1030899211 /nfs/dbraw/zinc/89/92/11/1030899211.db2.gz IFPAHFUZIKFBIT-UHFFFAOYSA-N 1 1 330.435 4.013 20 30 EIEDMO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000528021210 1031065940 /nfs/dbraw/zinc/06/59/40/1031065940.db2.gz AZFJQIVFQHZPRV-MRXNPFEDSA-N 1 1 327.472 4.329 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179464317 1031080922 /nfs/dbraw/zinc/08/09/22/1031080922.db2.gz SHRCAAHVQQVSQB-QGZVFWFLSA-N 1 1 338.451 4.167 20 30 EIEDMO C[C@@]1(C#N)CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167920 1031085575 /nfs/dbraw/zinc/08/55/75/1031085575.db2.gz YYPDSTNILYFCFT-INIZCTEOSA-N 1 1 326.362 4.100 20 30 EIEDMO C[C@@]1(C#N)CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167920 1031085599 /nfs/dbraw/zinc/08/55/99/1031085599.db2.gz YYPDSTNILYFCFT-INIZCTEOSA-N 1 1 326.362 4.100 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787252 1031290037 /nfs/dbraw/zinc/29/00/37/1031290037.db2.gz JAEPWVRMMHVNDE-INIZCTEOSA-N 1 1 336.410 4.406 20 30 EIEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000532578919 1031309954 /nfs/dbraw/zinc/30/99/54/1031309954.db2.gz RDZDAHDTJBGLMM-GOSISDBHSA-N 1 1 337.423 4.016 20 30 EIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000532578919 1031309971 /nfs/dbraw/zinc/30/99/71/1031309971.db2.gz RDZDAHDTJBGLMM-GOSISDBHSA-N 1 1 337.423 4.016 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2ccc(C)cn2)cc1OC ZINC000628249800 1031358140 /nfs/dbraw/zinc/35/81/40/1031358140.db2.gz SEAICAUNDNSVKH-UHFFFAOYSA-N 1 1 346.858 4.249 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccc(C)cn2)cc1OC ZINC000628249800 1031358156 /nfs/dbraw/zinc/35/81/56/1031358156.db2.gz SEAICAUNDNSVKH-UHFFFAOYSA-N 1 1 346.858 4.249 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCOc3cccc(C#N)c3)CC2)c1 ZINC001168222203 1031362973 /nfs/dbraw/zinc/36/29/73/1031362973.db2.gz FFAJBGNHBNNBCO-UHFFFAOYSA-N 1 1 332.447 4.343 20 30 EIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000610132772 1031440162 /nfs/dbraw/zinc/44/01/62/1031440162.db2.gz CTUBOCMZSQCFIQ-HNNXBMFYSA-N 1 1 342.414 4.168 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2C#N)CC1 ZINC000531654861 1031447960 /nfs/dbraw/zinc/44/79/60/1031447960.db2.gz ADOWXTZZBUXGSR-SFHVURJKSA-N 1 1 325.500 4.035 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2C#N)CC1 ZINC000531654861 1031447970 /nfs/dbraw/zinc/44/79/70/1031447970.db2.gz ADOWXTZZBUXGSR-SFHVURJKSA-N 1 1 325.500 4.035 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000449251378 1031567320 /nfs/dbraw/zinc/56/73/20/1031567320.db2.gz RKWKQFNRFFCENE-GOSISDBHSA-N 1 1 348.393 4.185 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000365272192 1031582288 /nfs/dbraw/zinc/58/22/88/1031582288.db2.gz IFAHNBKNDDJPBX-NRFANRHFSA-N 1 1 331.394 4.314 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000365272192 1031582299 /nfs/dbraw/zinc/58/22/99/1031582299.db2.gz IFAHNBKNDDJPBX-NRFANRHFSA-N 1 1 331.394 4.314 20 30 EIEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000179905842 1031595902 /nfs/dbraw/zinc/59/59/02/1031595902.db2.gz LVIWXBLRRJLPDG-OAQYLSRUSA-N 1 1 342.446 4.078 20 30 EIEDMO CC(C)c1csc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000125603863 1031609334 /nfs/dbraw/zinc/60/93/34/1031609334.db2.gz RDHDJSNIJAVGJV-UHFFFAOYSA-N 1 1 329.469 4.239 20 30 EIEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCc1ccccc1 ZINC000612588084 1031682589 /nfs/dbraw/zinc/68/25/89/1031682589.db2.gz PFXNJTYMBRJRJD-UHFFFAOYSA-N 1 1 338.451 4.304 20 30 EIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000531841325 1031687150 /nfs/dbraw/zinc/68/71/50/1031687150.db2.gz WIPFDYPAEOCYBZ-UHFFFAOYSA-N 1 1 330.447 4.259 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc(OC)c1O ZINC000449456178 1031752895 /nfs/dbraw/zinc/75/28/95/1031752895.db2.gz CHPNDTXHIUBQCA-DOMZBBRYSA-N 1 1 343.389 4.292 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000449468053 1031763666 /nfs/dbraw/zinc/76/36/66/1031763666.db2.gz KFNHYPXNVVHKSY-NXHRZFHOSA-N 1 1 335.875 4.030 20 30 EIEDMO Cc1cccc([C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)c1 ZINC000528764002 1031826745 /nfs/dbraw/zinc/82/67/45/1031826745.db2.gz BQLSPEJSGWQMOY-FQEVSTJZSA-N 1 1 346.434 4.404 20 30 EIEDMO C=C(CC)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000449729639 1031955854 /nfs/dbraw/zinc/95/58/54/1031955854.db2.gz BBRNGXKPCASTEK-UHFFFAOYSA-N 1 1 329.469 4.192 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000449731581 1031957738 /nfs/dbraw/zinc/95/77/38/1031957738.db2.gz JHRNQBTVDQRSLL-IBGZPJMESA-N 1 1 330.497 4.088 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449731582 1031958485 /nfs/dbraw/zinc/95/84/85/1031958485.db2.gz JHRNQBTVDQRSLL-LJQANCHMSA-N 1 1 330.497 4.088 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1csc2ccccc12 ZINC000052805665 1032005892 /nfs/dbraw/zinc/00/58/92/1032005892.db2.gz WOZYZTFRGZMTIL-AWEZNQCLSA-N 1 1 349.459 4.232 20 30 EIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805665 1032005904 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COc1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc(OC)c1 ZINC000614160582 1033532213 /nfs/dbraw/zinc/53/22/13/1033532213.db2.gz IOKDVGNMZKBUSB-UHFFFAOYSA-N 1 1 338.451 4.137 20 30 EIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174556 1033569499 /nfs/dbraw/zinc/56/94/99/1033569499.db2.gz ZLUSCTALUIVBQG-OALUTQOASA-N 1 1 326.484 4.267 20 30 EIEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176380 1033598838 /nfs/dbraw/zinc/59/88/38/1033598838.db2.gz YQPLWLMGALFWGW-KRWDZBQOSA-N 1 1 342.483 4.043 20 30 EIEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000614183662 1033631957 /nfs/dbraw/zinc/63/19/57/1033631957.db2.gz AICOXOKIVYOCCP-SFHVURJKSA-N 1 1 326.440 4.120 20 30 EIEDMO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669125 1033670360 /nfs/dbraw/zinc/67/03/60/1033670360.db2.gz YQELZHMIYIXYLJ-KKSFZXQISA-N 1 1 339.458 4.431 20 30 EIEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000433023136 1033681001 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JFQSCFDDNCKWGO-APWZRJJASA-N 1 1 336.435 4.171 20 30 EIEDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000183146781 1035266591 /nfs/dbraw/zinc/26/65/91/1035266591.db2.gz SAQNJOVMMLCCDO-CQSZACIVSA-N 1 1 334.398 4.042 20 30 EIEDMO Cc1cc(Br)cc2c1C[N@@H+](CC(C)(C)CCC#N)CC2 ZINC000501107112 1035378214 /nfs/dbraw/zinc/37/82/14/1035378214.db2.gz PAZWAFRBFBWHQD-UHFFFAOYSA-N 1 1 335.289 4.446 20 30 EIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490547991 1035505548 /nfs/dbraw/zinc/50/55/48/1035505548.db2.gz ROSFWTHYXMYLCL-IBGZPJMESA-N 1 1 336.483 4.359 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCCCC1 ZINC000594980960 1035512716 /nfs/dbraw/zinc/51/27/16/1035512716.db2.gz DPWIITURNODQPC-UHFFFAOYSA-N 1 1 326.362 4.191 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1Br ZINC000485029295 1035634352 /nfs/dbraw/zinc/63/43/52/1035634352.db2.gz WLFPILKSWTYQIZ-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCc4ccc(C#N)cc4)C3)nc2c1 ZINC000595403685 1035678493 /nfs/dbraw/zinc/67/84/93/1035678493.db2.gz IBJJRHJLAATHRA-IBGZPJMESA-N 1 1 344.462 4.165 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000595403685 1035678501 /nfs/dbraw/zinc/67/85/01/1035678501.db2.gz IBJJRHJLAATHRA-IBGZPJMESA-N 1 1 344.462 4.165 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000595403685 1035678512 /nfs/dbraw/zinc/67/85/12/1035678512.db2.gz IBJJRHJLAATHRA-IBGZPJMESA-N 1 1 344.462 4.165 20 30 EIEDMO CCCn1cc[nH+]c1CCCN(C)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595456215 1035683500 /nfs/dbraw/zinc/68/35/00/1035683500.db2.gz WZFCWMAFDWINOI-QGZVFWFLSA-N 1 1 330.863 4.076 20 30 EIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C#N)c3ccccc3)C2)s1 ZINC000595477700 1035686903 /nfs/dbraw/zinc/68/69/03/1035686903.db2.gz SWKZSTLBJUWHFH-FXAWDEMLSA-N 1 1 339.508 4.075 20 30 EIEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000595518539 1035691571 /nfs/dbraw/zinc/69/15/71/1035691571.db2.gz BHDNVBOJUIQXHJ-MRXNPFEDSA-N 1 1 345.368 4.270 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000595550706 1035702892 /nfs/dbraw/zinc/70/28/92/1035702892.db2.gz SFZQFGUKRKLNHL-LBPRGKRZSA-N 1 1 334.341 4.492 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000595550706 1035702911 /nfs/dbraw/zinc/70/29/11/1035702911.db2.gz SFZQFGUKRKLNHL-LBPRGKRZSA-N 1 1 334.341 4.492 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000046934538 1035728278 /nfs/dbraw/zinc/72/82/78/1035728278.db2.gz DZBYWFBMXYLBIS-MRXNPFEDSA-N 1 1 333.435 4.042 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000595621562 1035736611 /nfs/dbraw/zinc/73/66/11/1035736611.db2.gz WGQKXZLWYOZZPW-QGZVFWFLSA-N 1 1 333.435 4.065 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000595614297 1035749034 /nfs/dbraw/zinc/74/90/34/1035749034.db2.gz KIGPQOLIQCHTMR-GOSISDBHSA-N 1 1 342.483 4.257 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774192 1035833931 /nfs/dbraw/zinc/83/39/31/1035833931.db2.gz FPNAUULTKKXGKM-INIZCTEOSA-N 1 1 345.368 4.352 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000559260319 1035852294 /nfs/dbraw/zinc/85/22/94/1035852294.db2.gz FDDDZTVQZZNSOP-CQSZACIVSA-N 1 1 340.920 4.181 20 30 EIEDMO N#Cc1c(F)ccc(C[NH+]2CCC(c3ccccn3)CC2)c1Cl ZINC000366753205 1035973177 /nfs/dbraw/zinc/97/31/77/1035973177.db2.gz XVACEDIODPYADM-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccsc1 ZINC000421018281 1035978819 /nfs/dbraw/zinc/97/88/19/1035978819.db2.gz WPUQTCCTIFPCAQ-HNNXBMFYSA-N 1 1 341.480 4.420 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596818847 1036029237 /nfs/dbraw/zinc/02/92/37/1036029237.db2.gz MTHLMLXGNKNIJI-UHFFFAOYSA-N 1 1 341.499 4.007 20 30 EIEDMO CC(C)C[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596984026 1036066156 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EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597174332 1036143395 /nfs/dbraw/zinc/14/33/95/1036143395.db2.gz OWWWBWWSQYDMMJ-SFHVURJKSA-N 1 1 348.494 4.351 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000597175087 1036143910 /nfs/dbraw/zinc/14/39/10/1036143910.db2.gz VUPBEHKPQRPELG-YJBOKZPZSA-N 1 1 348.874 4.023 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000597175087 1036143930 /nfs/dbraw/zinc/14/39/30/1036143930.db2.gz VUPBEHKPQRPELG-YJBOKZPZSA-N 1 1 348.874 4.023 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000597175649 1036144583 /nfs/dbraw/zinc/14/45/83/1036144583.db2.gz BZTLUXPDRVYUQZ-QGZVFWFLSA-N 1 1 325.481 4.054 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000597175649 1036144599 /nfs/dbraw/zinc/14/45/99/1036144599.db2.gz BZTLUXPDRVYUQZ-QGZVFWFLSA-N 1 1 325.481 4.054 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597229159 1036161668 /nfs/dbraw/zinc/16/16/68/1036161668.db2.gz JJMGVHYMLMQTJY-QGZVFWFLSA-N 1 1 327.409 4.059 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597229159 1036161687 /nfs/dbraw/zinc/16/16/87/1036161687.db2.gz JJMGVHYMLMQTJY-QGZVFWFLSA-N 1 1 327.409 4.059 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000502470855 1036230162 /nfs/dbraw/zinc/23/01/62/1036230162.db2.gz XUBXOOLQVAGZSM-AWEZNQCLSA-N 1 1 346.833 4.494 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000502470855 1036230185 /nfs/dbraw/zinc/23/01/85/1036230185.db2.gz XUBXOOLQVAGZSM-AWEZNQCLSA-N 1 1 346.833 4.494 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCCC#N)cc2)C1 ZINC000588150367 1036247750 /nfs/dbraw/zinc/24/77/50/1036247750.db2.gz KTIPHYGGBVJTMC-SFHVURJKSA-N 1 1 341.499 4.009 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC(OC(C)(C)C)C1 ZINC000421365817 1036311517 /nfs/dbraw/zinc/31/15/17/1036311517.db2.gz BHXIOKXHAPFJKD-UHFFFAOYSA-N 1 1 330.472 4.147 20 30 EIEDMO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421364660 1036311878 /nfs/dbraw/zinc/31/18/78/1036311878.db2.gz OZPJCDKZDIHWEV-MRXNPFEDSA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000602450617 1036448147 /nfs/dbraw/zinc/44/81/47/1036448147.db2.gz CJRVVXRRXUXBAO-OAHLLOKOSA-N 1 1 328.435 4.020 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600575 1036507419 /nfs/dbraw/zinc/50/74/19/1036507419.db2.gz OSSBYZZSRRGUNC-CJNGLKHVSA-N 1 1 326.362 4.019 20 30 EIEDMO C[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC000602977407 1036686391 /nfs/dbraw/zinc/68/63/91/1036686391.db2.gz ATJZOXKIGCRFMA-BBRMVZONSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC000602977407 1036686406 /nfs/dbraw/zinc/68/64/06/1036686406.db2.gz ATJZOXKIGCRFMA-BBRMVZONSA-N 1 1 344.256 4.121 20 30 EIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586620 1036710776 /nfs/dbraw/zinc/71/07/76/1036710776.db2.gz JESUHADQQXTBIC-YPMHNXCESA-N 1 1 329.271 4.287 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000598604333 1036719366 /nfs/dbraw/zinc/71/93/66/1036719366.db2.gz QYUMWMMHHUXBLZ-WMXNSBIJSA-N 1 1 332.513 4.307 20 30 EIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CN1CCCCC1)c1ccccc1)CC2 ZINC000589338800 1036737529 /nfs/dbraw/zinc/73/75/29/1036737529.db2.gz FWUNGOKOQJCNBP-GOTSBHOMSA-N 1 1 345.490 4.362 20 30 EIEDMO CC1(c2ccc(Cl)cc2)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589514214 1036820675 /nfs/dbraw/zinc/82/06/75/1036820675.db2.gz LMXDAOOQJHWBKE-UHFFFAOYSA-N 1 1 331.872 4.222 20 30 EIEDMO CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486776385 1036848652 /nfs/dbraw/zinc/84/86/52/1036848652.db2.gz HPIACXMZSDZQQI-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486776385 1036848655 /nfs/dbraw/zinc/84/86/55/1036848655.db2.gz HPIACXMZSDZQQI-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486776385 1036848657 /nfs/dbraw/zinc/84/86/57/1036848657.db2.gz HPIACXMZSDZQQI-NRFANRHFSA-N 1 1 347.506 4.194 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000589738937 1036872274 /nfs/dbraw/zinc/87/22/74/1036872274.db2.gz FYZFVYGVHYZFMD-SJORKVTESA-N 1 1 345.487 4.026 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000486980920 1036931015 /nfs/dbraw/zinc/93/10/15/1036931015.db2.gz PLVKRNVNFQDKJS-UHFFFAOYSA-N 1 1 336.483 4.055 20 30 EIEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000603838841 1037021265 /nfs/dbraw/zinc/02/12/65/1037021265.db2.gz PAXRFGJGAXUBJN-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H](C)C1(F)F ZINC000599516262 1037046080 /nfs/dbraw/zinc/04/60/80/1037046080.db2.gz ZVTOOOCIYBUESP-PHIMTYICSA-N 1 1 343.215 4.044 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H](C)C1(F)F ZINC000599516262 1037046106 /nfs/dbraw/zinc/04/61/06/1037046106.db2.gz ZVTOOOCIYBUESP-PHIMTYICSA-N 1 1 343.215 4.044 20 30 EIEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccc2ccccc2c1 ZINC000272509323 1037208300 /nfs/dbraw/zinc/20/83/00/1037208300.db2.gz FUTDAFYYNQKTKL-SJORKVTESA-N 1 1 349.478 4.031 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000488109630 1037361928 /nfs/dbraw/zinc/36/19/28/1037361928.db2.gz UUTZZTNHYQPGDU-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000488109630 1037361941 /nfs/dbraw/zinc/36/19/41/1037361941.db2.gz UUTZZTNHYQPGDU-HXUWFJFHSA-N 1 1 330.435 4.091 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000488240460 1037441829 /nfs/dbraw/zinc/44/18/29/1037441829.db2.gz GMZRUYQPAHCQDU-QGZVFWFLSA-N 1 1 333.435 4.288 20 30 EIEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704518 1037716876 /nfs/dbraw/zinc/71/68/76/1037716876.db2.gz SHLOECJIGLNMJR-COPCDDAFSA-N 1 1 348.490 4.298 20 30 EIEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000592123005 1037735939 /nfs/dbraw/zinc/73/59/39/1037735939.db2.gz OVXFKWVGPYLLAQ-HNNXBMFYSA-N 1 1 345.368 4.352 20 30 EIEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000592143812 1037739081 /nfs/dbraw/zinc/73/90/81/1037739081.db2.gz PQGZYVUZUPAYIE-FQEVSTJZSA-N 1 1 344.474 4.323 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000592507628 1037821517 /nfs/dbraw/zinc/82/15/17/1037821517.db2.gz VAEAEFPCYRRVSP-UHFFFAOYSA-N 1 1 330.378 4.183 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593038822 1037904641 /nfs/dbraw/zinc/90/46/41/1037904641.db2.gz ISLVGBCEGGCAJL-UHFFFAOYSA-N 1 1 326.827 4.389 20 30 EIEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000593047217 1037908261 /nfs/dbraw/zinc/90/82/61/1037908261.db2.gz WSHOBTAKRVWWRY-QGZVFWFLSA-N 1 1 332.513 4.200 20 30 EIEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593046664 1037909531 /nfs/dbraw/zinc/90/95/31/1037909531.db2.gz QVHVZQCSOSNNRJ-AWEZNQCLSA-N 1 1 341.436 4.079 20 30 EIEDMO N#CC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCC1 ZINC000593655030 1038116383 /nfs/dbraw/zinc/11/63/83/1038116383.db2.gz VSWYWWDVSGMBQF-UHFFFAOYSA-N 1 1 349.482 4.234 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c2cccnc12 ZINC000063300165 1038195910 /nfs/dbraw/zinc/19/59/10/1038195910.db2.gz YJUNCAWMCPIZDK-UHFFFAOYSA-N 1 1 331.394 4.434 20 30 EIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000593944686 1038203182 /nfs/dbraw/zinc/20/31/82/1038203182.db2.gz ZWHAWANAVXBRCU-SFHVURJKSA-N 1 1 332.407 4.487 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1noc2ccccc21 ZINC000593959133 1038230385 /nfs/dbraw/zinc/23/03/85/1038230385.db2.gz HAUPYOARYQWRAB-AZUAARDMSA-N 1 1 331.419 4.142 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(OC(F)F)c1 ZINC000489843458 1038249431 /nfs/dbraw/zinc/24/94/31/1038249431.db2.gz MTOURVPCRQGRGI-HNNXBMFYSA-N 1 1 346.352 4.288 20 30 EIEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3C(F)(F)F)c2C[C@H]1C ZINC000594900230 1038414703 /nfs/dbraw/zinc/41/47/03/1038414703.db2.gz RGADHASPUMYUSC-VXGBXAGGSA-N 1 1 333.357 4.193 20 30 EIEDMO N#Cc1ccc(OCCC[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000059371150 1038524872 /nfs/dbraw/zinc/52/48/72/1038524872.db2.gz BQJOZFVVSKXVBG-UHFFFAOYSA-N 1 1 336.391 4.216 20 30 EIEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000424336508 1038810341 /nfs/dbraw/zinc/81/03/41/1038810341.db2.gz JCCGUOHCNYYRKO-SFHVURJKSA-N 1 1 348.406 4.009 20 30 EIEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000612422674 1038825796 /nfs/dbraw/zinc/82/57/96/1038825796.db2.gz TVRSDXFTENHNCJ-ORAYPTAESA-N 1 1 340.398 4.270 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000505034631 1038905546 /nfs/dbraw/zinc/90/55/46/1038905546.db2.gz FMFFGYYBUCMWDN-WMZOPIPTSA-N 1 1 329.488 4.142 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000119944149 1039029995 /nfs/dbraw/zinc/02/99/95/1039029995.db2.gz UEBBCQLXXJAFEQ-UHFFFAOYSA-N 1 1 347.480 4.352 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000119944149 1039030020 /nfs/dbraw/zinc/03/00/20/1039030020.db2.gz UEBBCQLXXJAFEQ-UHFFFAOYSA-N 1 1 347.480 4.352 20 30 EIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555376859 1039126798 /nfs/dbraw/zinc/12/67/98/1039126798.db2.gz CEMPDNNAKOVLOH-RVKKMQEKSA-N 1 1 332.875 4.295 20 30 EIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555376860 1039127816 /nfs/dbraw/zinc/12/78/16/1039127816.db2.gz CEMPDNNAKOVLOH-VKJFTORMSA-N 1 1 332.875 4.295 20 30 EIEDMO Cc1nc2ccc(C[N@H+]3CCc4c(CC#N)cccc4C3)cc2s1 ZINC000600212705 1039374963 /nfs/dbraw/zinc/37/49/63/1039374963.db2.gz GZXCJCJEZIEPDJ-UHFFFAOYSA-N 1 1 333.460 4.229 20 30 EIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000491227614 1039437278 /nfs/dbraw/zinc/43/72/78/1039437278.db2.gz GJOZSYGUNNHHKS-LJQANCHMSA-N 1 1 336.483 4.359 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000481581459 1039601657 /nfs/dbraw/zinc/60/16/57/1039601657.db2.gz WTZAFQDPDQUZLG-IBGZPJMESA-N 1 1 330.378 4.119 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000481591405 1039605777 /nfs/dbraw/zinc/60/57/77/1039605777.db2.gz HNMZSVPWHUUYEQ-KBXCAEBGSA-N 1 1 338.442 4.206 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481602326 1039627786 /nfs/dbraw/zinc/62/77/86/1039627786.db2.gz FXBXCUPZMINYHO-UGSOOPFHSA-N 1 1 336.426 4.009 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000481614981 1039629656 /nfs/dbraw/zinc/62/96/56/1039629656.db2.gz MJKQBXJOJQTURM-IBGZPJMESA-N 1 1 344.405 4.427 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccc(F)c(F)c1 ZINC000481621115 1039637416 /nfs/dbraw/zinc/63/74/16/1039637416.db2.gz CWDRYQPQBNPZBA-FQEVSTJZSA-N 1 1 344.405 4.225 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc(OC)c1O ZINC000093275099 1039648325 /nfs/dbraw/zinc/64/83/25/1039648325.db2.gz IWOQPASINALMJR-ZDUSSCGKSA-N 1 1 346.496 4.396 20 30 EIEDMO CC[C@@H](C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730771 1039795116 /nfs/dbraw/zinc/79/51/16/1039795116.db2.gz DHGGJDPMMCLOEY-MSOLQXFVSA-N 1 1 349.478 4.401 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675458 1039845616 /nfs/dbraw/zinc/84/56/16/1039845616.db2.gz YTHRIRBWEMXNIW-PGRDOPGGSA-N 1 1 334.463 4.343 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903901 1039846320 /nfs/dbraw/zinc/84/63/20/1039846320.db2.gz HWXHXSZVKVIEKL-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000442691356 1039880129 /nfs/dbraw/zinc/88/01/29/1039880129.db2.gz LTJPSOJVSZORMW-PBHICJAKSA-N 1 1 326.827 4.426 20 30 EIEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000281921457 1039887524 /nfs/dbraw/zinc/88/75/24/1039887524.db2.gz HGCXPCZUSNKRRF-LPHOPBHVSA-N 1 1 330.447 4.309 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000551382204 1040248258 /nfs/dbraw/zinc/24/82/58/1040248258.db2.gz LBYNEQGBJRTKMS-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000551382204 1040248267 /nfs/dbraw/zinc/24/82/67/1040248267.db2.gz LBYNEQGBJRTKMS-UHFFFAOYSA-N 1 1 336.357 4.297 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000482508155 1040308561 /nfs/dbraw/zinc/30/85/61/1040308561.db2.gz LFPMXVQCDXZXPQ-HIFRSBDPSA-N 1 1 343.389 4.423 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667484221 1040325668 /nfs/dbraw/zinc/32/56/68/1040325668.db2.gz DKCPUOPUBBMFFO-SFHVURJKSA-N 1 1 329.465 4.104 20 30 EIEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000425366234 1040340212 /nfs/dbraw/zinc/34/02/12/1040340212.db2.gz OZCCIIPAHYGODD-ZDUSSCGKSA-N 1 1 344.842 4.422 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000425366234 1040340232 /nfs/dbraw/zinc/34/02/32/1040340232.db2.gz OZCCIIPAHYGODD-ZDUSSCGKSA-N 1 1 344.842 4.422 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650801 1040413605 /nfs/dbraw/zinc/41/36/05/1040413605.db2.gz ZVLJPFWEFUKLFN-HXUWFJFHSA-N 1 1 328.500 4.147 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1N1CCCC1 ZINC000539409261 1040419469 /nfs/dbraw/zinc/41/94/69/1040419469.db2.gz XORHKHLLYGSWLK-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1N1CCCC1 ZINC000539409261 1040419473 /nfs/dbraw/zinc/41/94/73/1040419473.db2.gz XORHKHLLYGSWLK-UHFFFAOYSA-N 1 1 339.870 4.444 20 30 EIEDMO C[C@H](NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1)c1ccccc1 ZINC000539515480 1040496569 /nfs/dbraw/zinc/49/65/69/1040496569.db2.gz GJCZIDMOEOLMFC-INIZCTEOSA-N 1 1 339.508 4.373 20 30 EIEDMO C[C@@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000462371275 1040520512 /nfs/dbraw/zinc/52/05/12/1040520512.db2.gz UAHXSEQYFLSLEM-AWEZNQCLSA-N 1 1 325.843 4.070 20 30 EIEDMO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548936741 1040522925 /nfs/dbraw/zinc/52/29/25/1040522925.db2.gz KTBAQHXQMNSSJV-CQSZACIVSA-N 1 1 348.402 4.332 20 30 EIEDMO CS[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000553889395 1040605495 /nfs/dbraw/zinc/60/54/95/1040605495.db2.gz SFSZTBTYDVHVBP-OAHLLOKOSA-N 1 1 339.302 4.038 20 30 EIEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000553889395 1040605498 /nfs/dbraw/zinc/60/54/98/1040605498.db2.gz SFSZTBTYDVHVBP-OAHLLOKOSA-N 1 1 339.302 4.038 20 30 EIEDMO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000482964333 1040610540 /nfs/dbraw/zinc/61/05/40/1040610540.db2.gz SAFLQFSSIUMWFC-GFCCVEGCSA-N 1 1 349.659 4.200 20 30 EIEDMO C=CC[C@@H](C)[C@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000539732754 1040746708 /nfs/dbraw/zinc/74/67/08/1040746708.db2.gz DRYOAFMMGKXYAG-AEFFLSMTSA-N 1 1 343.515 4.432 20 30 EIEDMO CC[N@@H+](Cc1ccc(Br)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483173277 1040747285 /nfs/dbraw/zinc/74/72/85/1040747285.db2.gz ZLQPAKUVFZLHFO-LBPRGKRZSA-N 1 1 333.229 4.497 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc2C1 ZINC000539828808 1040823742 /nfs/dbraw/zinc/82/37/42/1040823742.db2.gz IKLHSQXANJXZTH-NRFANRHFSA-N 1 1 334.463 4.358 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C)cc1OC ZINC000539830971 1040827141 /nfs/dbraw/zinc/82/71/41/1040827141.db2.gz AOIKRXAIWTUHEH-GFCCVEGCSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2C)cc1OC ZINC000539830971 1040827146 /nfs/dbraw/zinc/82/71/46/1040827146.db2.gz AOIKRXAIWTUHEH-GFCCVEGCSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000539851464 1040841036 /nfs/dbraw/zinc/84/10/36/1040841036.db2.gz WGXLUWDRFZEFAF-LPHOPBHVSA-N 1 1 333.497 4.120 20 30 EIEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cccc(C#N)c1 ZINC000483413014 1040844361 /nfs/dbraw/zinc/84/43/61/1040844361.db2.gz TWSGSLFJNBDJFZ-UHFFFAOYSA-N 1 1 345.324 4.350 20 30 EIEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cccc(C#N)c1 ZINC000483413014 1040844365 /nfs/dbraw/zinc/84/43/65/1040844365.db2.gz TWSGSLFJNBDJFZ-UHFFFAOYSA-N 1 1 345.324 4.350 20 30 EIEDMO CC(C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000537896744 1040882185 /nfs/dbraw/zinc/88/21/85/1040882185.db2.gz ILEUKMNBZKGGCZ-UHFFFAOYSA-N 1 1 348.368 4.242 20 30 EIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483614865 1040910989 /nfs/dbraw/zinc/91/09/89/1040910989.db2.gz OSIFDESOZHANKI-OAHLLOKOSA-N 1 1 347.380 4.326 20 30 EIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000505775882 1040984886 /nfs/dbraw/zinc/98/48/86/1040984886.db2.gz GAIIYWHNQQFGDW-MRXNPFEDSA-N 1 1 333.435 4.403 20 30 EIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000505775882 1040984910 /nfs/dbraw/zinc/98/49/10/1040984910.db2.gz GAIIYWHNQQFGDW-MRXNPFEDSA-N 1 1 333.435 4.403 20 30 EIEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)c(Cl)c1 ZINC000161138762 1041030602 /nfs/dbraw/zinc/03/06/02/1041030602.db2.gz UYVWBHVCRRIWLY-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)c(Cl)c1 ZINC000161138762 1041030611 /nfs/dbraw/zinc/03/06/11/1041030611.db2.gz UYVWBHVCRRIWLY-UHFFFAOYSA-N 1 1 345.233 4.145 20 30 EIEDMO C[N@@H+](CCC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000554398374 1041081078 /nfs/dbraw/zinc/08/10/78/1041081078.db2.gz FKXDRUXJKMHCLH-FQEVSTJZSA-N 1 1 341.499 4.192 20 30 EIEDMO Clc1ccccc1OC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484091097 1041116334 /nfs/dbraw/zinc/11/63/34/1041116334.db2.gz ADUNXDSDTPUFEO-UHFFFAOYSA-N 1 1 325.839 4.235 20 30 EIEDMO Cc1ccc(C)c(Oc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cn2)c1 ZINC000554487835 1041180420 /nfs/dbraw/zinc/18/04/20/1041180420.db2.gz ROHCNDQJNFIRQY-QGZVFWFLSA-N 1 1 334.423 4.024 20 30 EIEDMO C[C@@H]1C[C@@H](CCNc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000436399876 1041205080 /nfs/dbraw/zinc/20/50/80/1041205080.db2.gz JWWGSDVLKMJJFA-IEBWSBKVSA-N 1 1 344.462 4.143 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCCCC1 ZINC000484487227 1041258727 /nfs/dbraw/zinc/25/87/27/1041258727.db2.gz MAXFSUSYNFWOAU-UHFFFAOYSA-N 1 1 338.854 4.486 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000480519586 1041364512 /nfs/dbraw/zinc/36/45/12/1041364512.db2.gz CHSFJXJVZVMYIC-UHFFFAOYSA-N 1 1 326.827 4.297 20 30 EIEDMO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502520 1041381667 /nfs/dbraw/zinc/38/16/67/1041381667.db2.gz XSMYRLPFDQYTMW-IIBYNOLFSA-N 1 1 337.442 4.185 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000505853263 1041387690 /nfs/dbraw/zinc/38/76/90/1041387690.db2.gz JPNDNAJRJLBWEV-UHFFFAOYSA-N 1 1 342.442 4.220 20 30 EIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201568 1041428434 /nfs/dbraw/zinc/42/84/34/1041428434.db2.gz MACQGMYIZCHNAN-FCDRMGDPSA-N 1 1 346.902 4.363 20 30 EIEDMO CC(C)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCOC1 ZINC000463231304 1041438625 /nfs/dbraw/zinc/43/86/25/1041438625.db2.gz WRKHDYRYSIGLGS-QFIPXVFZSA-N 1 1 348.490 4.386 20 30 EIEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001270130086 1041491276 /nfs/dbraw/zinc/49/12/76/1041491276.db2.gz AIWBIVLLISUIFU-HKUYNNGSSA-N 1 1 328.500 4.006 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)ccc1OC1CCCC1 ZINC000540525676 1041520827 /nfs/dbraw/zinc/52/08/27/1041520827.db2.gz GPAFKVWLNZNQGP-CQSZACIVSA-N 1 1 340.423 4.332 20 30 EIEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(C)cc2)cc1 ZINC000540591506 1041548077 /nfs/dbraw/zinc/54/80/77/1041548077.db2.gz JNSYZDAIIJHHBO-OAQYLSRUSA-N 1 1 332.403 4.348 20 30 EIEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000541024038 1041779621 /nfs/dbraw/zinc/77/96/21/1041779621.db2.gz HEWCGVAYXQGHFF-GFCCVEGCSA-N 1 1 330.819 4.077 20 30 EIEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437400380 1041786553 /nfs/dbraw/zinc/78/65/53/1041786553.db2.gz KTUHMGKGSUSVEH-UHFFFAOYSA-N 1 1 338.304 4.070 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437400380 1041786560 /nfs/dbraw/zinc/78/65/60/1041786560.db2.gz KTUHMGKGSUSVEH-UHFFFAOYSA-N 1 1 338.304 4.070 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)ccc1OC ZINC000506060416 1041824470 /nfs/dbraw/zinc/82/44/70/1041824470.db2.gz SAYQJJYFMIWUAU-IBGZPJMESA-N 1 1 340.467 4.326 20 30 EIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314785 1041889670 /nfs/dbraw/zinc/88/96/70/1041889670.db2.gz JIIOOCXXAWGNCQ-YWZLYKJASA-N 1 1 336.435 4.159 20 30 EIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322952 1041893191 /nfs/dbraw/zinc/89/31/91/1041893191.db2.gz XWHHRNJAXGNXJD-QRWLVFNGSA-N 1 1 336.435 4.159 20 30 EIEDMO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)[C@@H](C)CO2)c1 ZINC000541348251 1041898308 /nfs/dbraw/zinc/89/83/08/1041898308.db2.gz BHJYFXUOKXZVJA-PGRDOPGGSA-N 1 1 334.463 4.332 20 30 EIEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)[C@H](C)CO2)c1 ZINC000541348250 1041898620 /nfs/dbraw/zinc/89/86/20/1041898620.db2.gz BHJYFXUOKXZVJA-GCJKJVERSA-N 1 1 334.463 4.332 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000464435945 1042004492 /nfs/dbraw/zinc/00/44/92/1042004492.db2.gz BFCGOQGNNXZMIC-MSOLQXFVSA-N 1 1 328.500 4.280 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000464651230 1042106851 /nfs/dbraw/zinc/10/68/51/1042106851.db2.gz VOGBASIDXILSEV-UHFFFAOYSA-N 1 1 339.414 4.182 20 30 EIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1csc2ccccc12 ZINC000282098921 1042134799 /nfs/dbraw/zinc/13/47/99/1042134799.db2.gz VVARXNIRROQBOB-UHFFFAOYSA-N 1 1 328.481 4.434 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)OC)cc1 ZINC000302735662 1042138624 /nfs/dbraw/zinc/13/86/24/1042138624.db2.gz DFQOXLMHPYZMNL-UHFFFAOYSA-N 1 1 335.856 4.376 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)OC)cc1 ZINC000302735662 1042138628 /nfs/dbraw/zinc/13/86/28/1042138628.db2.gz DFQOXLMHPYZMNL-UHFFFAOYSA-N 1 1 335.856 4.376 20 30 EIEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438341853 1042145070 /nfs/dbraw/zinc/14/50/70/1042145070.db2.gz PQDBVXMQUQUROS-IBGZPJMESA-N 1 1 336.483 4.332 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCc1cccs1 ZINC000464763468 1042154328 /nfs/dbraw/zinc/15/43/28/1042154328.db2.gz PVEWOHIPIJNZJA-UHFFFAOYSA-N 1 1 346.521 4.139 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCc1cccs1 ZINC000464763468 1042154332 /nfs/dbraw/zinc/15/43/32/1042154332.db2.gz PVEWOHIPIJNZJA-UHFFFAOYSA-N 1 1 346.521 4.139 20 30 EIEDMO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816756 1042176891 /nfs/dbraw/zinc/17/68/91/1042176891.db2.gz WWUVFUQTFVELSU-UYAOXDASSA-N 1 1 335.407 4.175 20 30 EIEDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000464816756 1042176896 /nfs/dbraw/zinc/17/68/96/1042176896.db2.gz WWUVFUQTFVELSU-UYAOXDASSA-N 1 1 335.407 4.175 20 30 EIEDMO CC[N@@H+](CCCCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000542209182 1042345725 /nfs/dbraw/zinc/34/57/25/1042345725.db2.gz PXCVRUSVOBNLLL-INIZCTEOSA-N 1 1 330.472 4.453 20 30 EIEDMO FC(F)(F)CCON=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842532039 1042515414 /nfs/dbraw/zinc/51/54/14/1042515414.db2.gz VRNBPJPLWXDZCB-UHFFFAOYSA-N 1 1 326.362 4.140 20 30 EIEDMO N#Cc1ccc(C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552265 1042591216 /nfs/dbraw/zinc/59/12/16/1042591216.db2.gz DWBZOFREFGFETH-HWKANZROSA-N 1 1 333.391 4.144 20 30 EIEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000426372222 1042610392 /nfs/dbraw/zinc/61/03/92/1042610392.db2.gz NTBGTWRSGQVKPT-UHFFFAOYSA-N 1 1 328.337 4.061 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000426372222 1042610401 /nfs/dbraw/zinc/61/04/01/1042610401.db2.gz NTBGTWRSGQVKPT-UHFFFAOYSA-N 1 1 328.337 4.061 20 30 EIEDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCCSCC#N ZINC000173874391 1042621446 /nfs/dbraw/zinc/62/14/46/1042621446.db2.gz AHKSCTPFFKQFQD-GFCCVEGCSA-N 1 1 327.291 4.089 20 30 EIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433559 1042622153 /nfs/dbraw/zinc/62/21/53/1042622153.db2.gz ALMARIZJZOJTEO-HNNXBMFYSA-N 1 1 326.827 4.210 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454536 1042637314 /nfs/dbraw/zinc/63/73/14/1042637314.db2.gz RXYZMNMPCIPLCW-FQEVSTJZSA-N 1 1 340.854 4.084 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000426437345 1042701091 /nfs/dbraw/zinc/70/10/91/1042701091.db2.gz WPIDVRNLRNEKKS-FQEVSTJZSA-N 1 1 339.866 4.230 20 30 EIEDMO CC(C)(CCC#N)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000518824695 1042713439 /nfs/dbraw/zinc/71/34/39/1042713439.db2.gz JUHXBAXXYAKYQI-UHFFFAOYSA-N 1 1 332.245 4.161 20 30 EIEDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426455781 1042715297 /nfs/dbraw/zinc/71/52/97/1042715297.db2.gz UMRNIRSBPJIIOS-QFIPXVFZSA-N 1 1 334.463 4.210 20 30 EIEDMO Cc1cc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)ccc1C#N ZINC000444002297 1042739035 /nfs/dbraw/zinc/73/90/35/1042739035.db2.gz JNCORARYGNOBOR-HNNXBMFYSA-N 1 1 333.218 4.397 20 30 EIEDMO CC(C)c1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000030959025 1042756387 /nfs/dbraw/zinc/75/63/87/1042756387.db2.gz XADQXFUFAKOZBK-UHFFFAOYSA-N 1 1 335.451 4.142 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)c(O)c(C)c1 ZINC000518994745 1042787726 /nfs/dbraw/zinc/78/77/26/1042787726.db2.gz PIDCQQOEKDZBHP-UHFFFAOYSA-N 1 1 327.472 4.365 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000487389964 1042818499 /nfs/dbraw/zinc/81/84/99/1042818499.db2.gz HDONGIPXILLOMR-UHFFFAOYSA-N 1 1 339.361 4.332 20 30 EIEDMO Cc1csc(C2([NH2+]Cc3ccc(C(C)(C)C#N)cc3)CCC2)n1 ZINC000614571591 1042858078 /nfs/dbraw/zinc/85/80/78/1042858078.db2.gz UJSLKQGYRYRXFV-UHFFFAOYSA-N 1 1 325.481 4.422 20 30 EIEDMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000031255811 1042893315 /nfs/dbraw/zinc/89/33/15/1042893315.db2.gz UEEBEZZCHYEXCB-OAQYLSRUSA-N 1 1 348.446 4.143 20 30 EIEDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000031255811 1042893316 /nfs/dbraw/zinc/89/33/16/1042893316.db2.gz UEEBEZZCHYEXCB-OAQYLSRUSA-N 1 1 348.446 4.143 20 30 EIEDMO C=C[C@@H](CC(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC000134599708 1042905638 /nfs/dbraw/zinc/90/56/38/1042905638.db2.gz QWROJXCVKFAWJW-FQEVSTJZSA-N 1 1 342.527 4.317 20 30 EIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183059350 1043037260 /nfs/dbraw/zinc/03/72/60/1043037260.db2.gz BUSJDVDPCOHAJQ-UHFFFAOYSA-N 1 1 336.479 4.102 20 30 EIEDMO C=C(C)[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1ccc(F)c(F)c1 ZINC000184837776 1043135196 /nfs/dbraw/zinc/13/51/96/1043135196.db2.gz POHHKDYQCFBILG-GOSISDBHSA-N 1 1 347.409 4.108 20 30 EIEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(C#N)CC3)s2)cc1 ZINC000543497399 1043135318 /nfs/dbraw/zinc/13/53/18/1043135318.db2.gz NWBIHIQWOGSBHK-GFCCVEGCSA-N 1 1 327.453 4.082 20 30 EIEDMO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507859575 1043158838 /nfs/dbraw/zinc/15/88/38/1043158838.db2.gz MMPSEJMXBMAZOA-AWEZNQCLSA-N 1 1 342.389 4.441 20 30 EIEDMO C[C@@H](C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427959 1043220955 /nfs/dbraw/zinc/22/09/55/1043220955.db2.gz KYBMAOAULWFFMD-KRWDZBQOSA-N 1 1 330.435 4.115 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 ZINC000187369061 1043344972 /nfs/dbraw/zinc/34/49/72/1043344972.db2.gz CRAUDJJZEGBWGX-IBGZPJMESA-N 1 1 333.378 4.389 20 30 EIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494235902 1043377409 /nfs/dbraw/zinc/37/74/09/1043377409.db2.gz ZSLQQBZOYFKIRL-LFIBNONCSA-N 1 1 344.418 4.144 20 30 EIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494235902 1043377420 /nfs/dbraw/zinc/37/74/20/1043377420.db2.gz ZSLQQBZOYFKIRL-LFIBNONCSA-N 1 1 344.418 4.144 20 30 EIEDMO Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000438834206 1043388852 /nfs/dbraw/zinc/38/88/52/1043388852.db2.gz RRWVFNLZLVBNDY-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(C)nc1C1CCCCC1 ZINC000542485782 1043658154 /nfs/dbraw/zinc/65/81/54/1043658154.db2.gz UHEYSCOBLHRLGE-UHFFFAOYSA-N 1 1 327.472 4.292 20 30 EIEDMO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000731029638 1043679850 /nfs/dbraw/zinc/67/98/50/1043679850.db2.gz AETCTXVGNDPISI-HNNXBMFYSA-N 1 1 341.480 4.126 20 30 EIEDMO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000731029638 1043679857 /nfs/dbraw/zinc/67/98/57/1043679857.db2.gz AETCTXVGNDPISI-HNNXBMFYSA-N 1 1 341.480 4.126 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)CC2CCOCC2)cc1 ZINC000171825659 1043684189 /nfs/dbraw/zinc/68/41/89/1043684189.db2.gz GKKRIUPJNWEDGI-UHFFFAOYSA-N 1 1 338.426 4.126 20 30 EIEDMO N#Cc1cccc(C2CC[NH+](Cc3occc3Br)CC2)c1 ZINC001143130419 1043816168 /nfs/dbraw/zinc/81/61/68/1043816168.db2.gz KCYQEFCZYVRFHE-UHFFFAOYSA-N 1 1 345.240 4.293 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000191461460 1043819312 /nfs/dbraw/zinc/81/93/12/1043819312.db2.gz MPSJLQULJZLLJE-IBGZPJMESA-N 1 1 343.515 4.342 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000443068513 1043988101 /nfs/dbraw/zinc/98/81/01/1043988101.db2.gz NIZJDVDMBYNJJL-UHFFFAOYSA-N 1 1 345.874 4.450 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000443068513 1043988118 /nfs/dbraw/zinc/98/81/18/1043988118.db2.gz NIZJDVDMBYNJJL-UHFFFAOYSA-N 1 1 345.874 4.450 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732986339 1044059457 /nfs/dbraw/zinc/05/94/57/1044059457.db2.gz KVOJLCMCDWKERW-SFHVURJKSA-N 1 1 328.362 4.052 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986223 1044059662 /nfs/dbraw/zinc/05/96/62/1044059662.db2.gz IGLWNYMCNFVGHI-LJQANCHMSA-N 1 1 328.362 4.204 20 30 EIEDMO C=CC(C)(C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001128974118 1044110953 /nfs/dbraw/zinc/11/09/53/1044110953.db2.gz TZLMYWYXRGKJIR-UHFFFAOYSA-N 1 1 336.479 4.261 20 30 EIEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000323802361 1044139945 /nfs/dbraw/zinc/13/99/45/1044139945.db2.gz JIQYRUGBFUTFMY-LJQANCHMSA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000323802361 1044139964 /nfs/dbraw/zinc/13/99/64/1044139964.db2.gz JIQYRUGBFUTFMY-LJQANCHMSA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323802361 1044139982 /nfs/dbraw/zinc/13/99/82/1044139982.db2.gz JIQYRUGBFUTFMY-LJQANCHMSA-N 1 1 327.516 4.160 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298665 /nfs/dbraw/zinc/29/86/65/1044298665.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 1 1 325.500 4.206 20 30 EIEDMO C=CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302942 1044307347 /nfs/dbraw/zinc/30/73/47/1044307347.db2.gz VMGDMKJEOGLYBP-YADHBBJMSA-N 1 1 348.490 4.332 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000347969823 1044344781 /nfs/dbraw/zinc/34/47/81/1044344781.db2.gz BVSRPGDKVNOBHL-UHFFFAOYSA-N 1 1 340.430 4.033 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000466402846 1044394570 /nfs/dbraw/zinc/39/45/70/1044394570.db2.gz AIRAXDBVKFQMMN-HKUYNNGSSA-N 1 1 335.536 4.027 20 30 EIEDMO Oc1ccccc1/C=N\[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903384 1044411299 /nfs/dbraw/zinc/41/12/99/1044411299.db2.gz MMWHHAUEPPCLEB-CMBCABCVSA-N 1 1 348.368 4.104 20 30 EIEDMO Oc1ccccc1/C=N\[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903614 1044412319 /nfs/dbraw/zinc/41/23/19/1044412319.db2.gz MMWHHAUEPPCLEB-OYPWENPISA-N 1 1 348.368 4.104 20 30 EIEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)CCO2)c1 ZINC000761756975 1044442600 /nfs/dbraw/zinc/44/26/00/1044442600.db2.gz DRVXFYPEBIVVPC-QHCPKHFHSA-N 1 1 342.442 4.327 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543394995 1044502421 /nfs/dbraw/zinc/50/24/21/1044502421.db2.gz TUGUAEORTHCEDI-PMACEKPBSA-N 1 1 348.475 4.206 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000914576591 1044523881 /nfs/dbraw/zinc/52/38/81/1044523881.db2.gz WWLJVTRQONEYIQ-UHFFFAOYSA-N 1 1 349.430 4.249 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321830 1044547258 /nfs/dbraw/zinc/54/72/58/1044547258.db2.gz KQOLDCVAAAXAEY-IEBWSBKVSA-N 1 1 347.462 4.155 20 30 EIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487434193 1044552333 /nfs/dbraw/zinc/55/23/33/1044552333.db2.gz UHFPANGTTGOUGN-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO Fc1ccc(CC[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000676083431 1044643895 /nfs/dbraw/zinc/64/38/95/1044643895.db2.gz XTDPHNKPTUBUQC-AOOOYVTPSA-N 1 1 347.249 4.180 20 30 EIEDMO Fc1ccc(CC[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000676083431 1044643912 /nfs/dbraw/zinc/64/39/12/1044643912.db2.gz XTDPHNKPTUBUQC-AOOOYVTPSA-N 1 1 347.249 4.180 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccc(C)cc2)c1C ZINC000914693204 1044661278 /nfs/dbraw/zinc/66/12/78/1044661278.db2.gz PBYKNKUVIHLYEM-OAQYLSRUSA-N 1 1 338.499 4.344 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2ccccc2C#N)cc1 ZINC000741334363 1044753842 /nfs/dbraw/zinc/75/38/42/1044753842.db2.gz KQGYJIABRCCIOX-UHFFFAOYSA-N 1 1 336.435 4.147 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000735306573 1044784397 /nfs/dbraw/zinc/78/43/97/1044784397.db2.gz PPTXCLWNAUTDOJ-UHFFFAOYSA-N 1 1 326.827 4.407 20 30 EIEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000676542613 1044787420 /nfs/dbraw/zinc/78/74/20/1044787420.db2.gz PIIVBQCSYZEVLU-UHFFFAOYSA-N 1 1 325.355 4.130 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000676542613 1044787437 /nfs/dbraw/zinc/78/74/37/1044787437.db2.gz PIIVBQCSYZEVLU-UHFFFAOYSA-N 1 1 325.355 4.130 20 30 EIEDMO Clc1cccc(C#CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000676558155 1044790591 /nfs/dbraw/zinc/79/05/91/1044790591.db2.gz DZZLRWVMYFPXEI-HXUWFJFHSA-N 1 1 325.839 4.155 20 30 EIEDMO Clc1cccc(C#CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000676558155 1044790605 /nfs/dbraw/zinc/79/06/05/1044790605.db2.gz DZZLRWVMYFPXEI-HXUWFJFHSA-N 1 1 325.839 4.155 20 30 EIEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC001141817036 1044806934 /nfs/dbraw/zinc/80/69/34/1044806934.db2.gz SRDVWRQPYZDOJA-UHFFFAOYSA-N 1 1 347.231 4.134 20 30 EIEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000428879577 1044814459 /nfs/dbraw/zinc/81/44/59/1044814459.db2.gz HMASMXODXMENPA-SFHVURJKSA-N 1 1 341.499 4.143 20 30 EIEDMO CCCCCCCc1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000761918618 1044824729 /nfs/dbraw/zinc/82/47/29/1044824729.db2.gz QVEOLAANSQSQBW-UHFFFAOYSA-N 1 1 325.416 4.139 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000761986892 1044850047 /nfs/dbraw/zinc/85/00/47/1044850047.db2.gz KVARUBAKPLBELD-IBGZPJMESA-N 1 1 347.418 4.457 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000761986892 1044850050 /nfs/dbraw/zinc/85/00/50/1044850050.db2.gz KVARUBAKPLBELD-IBGZPJMESA-N 1 1 347.418 4.457 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093844597 1044856883 /nfs/dbraw/zinc/85/68/83/1044856883.db2.gz CBQVUOGVTVXRKV-INIZCTEOSA-N 1 1 331.529 4.096 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093844597 1044856886 /nfs/dbraw/zinc/85/68/86/1044856886.db2.gz CBQVUOGVTVXRKV-INIZCTEOSA-N 1 1 331.529 4.096 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000093838171 1044857492 /nfs/dbraw/zinc/85/74/92/1044857492.db2.gz GIXCHOIEZZQOHX-CQSZACIVSA-N 1 1 330.815 4.096 20 30 EIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093870733 1044859131 /nfs/dbraw/zinc/85/91/31/1044859131.db2.gz BBHXMWICXOSLQM-RDTXWAMCSA-N 1 1 334.423 4.081 20 30 EIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093870733 1044859134 /nfs/dbraw/zinc/85/91/34/1044859134.db2.gz BBHXMWICXOSLQM-RDTXWAMCSA-N 1 1 334.423 4.081 20 30 EIEDMO COc1ccc(C(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000509260171 1044865074 /nfs/dbraw/zinc/86/50/74/1044865074.db2.gz LNTQZPFJYGIJGM-UHFFFAOYSA-N 1 1 336.435 4.050 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(C(C)C)s2)c1 ZINC000784544696 1044904062 /nfs/dbraw/zinc/90/40/62/1044904062.db2.gz INUVNVIWEXRUMR-HNNXBMFYSA-N 1 1 329.469 4.237 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(F)F)c1 ZINC000065237880 1044932049 /nfs/dbraw/zinc/93/20/49/1044932049.db2.gz HUNKCJDOCAWTJB-UHFFFAOYSA-N 1 1 328.362 4.348 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000021918806 1045108558 /nfs/dbraw/zinc/10/85/58/1045108558.db2.gz BOQVYWFETLPURH-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000740888616 1045237784 /nfs/dbraw/zinc/23/77/84/1045237784.db2.gz RYVWGKCBTUSZKU-RBUKOAKNSA-N 1 1 330.472 4.005 20 30 EIEDMO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193017 1045261437 /nfs/dbraw/zinc/26/14/37/1045261437.db2.gz ODMCFICPMXGIIH-UTKZUKDTSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193017 1045261443 /nfs/dbraw/zinc/26/14/43/1045261443.db2.gz ODMCFICPMXGIIH-UTKZUKDTSA-N 1 1 333.479 4.262 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256333 1045266641 /nfs/dbraw/zinc/26/66/41/1045266641.db2.gz ULXAONYXSWLXCY-MRXNPFEDSA-N 1 1 347.462 4.034 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cscc3Cl)CC2)cc1 ZINC000611268868 1045270476 /nfs/dbraw/zinc/27/04/76/1045270476.db2.gz RFAATWCFYMYFNO-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000611287724 1045275361 /nfs/dbraw/zinc/27/53/61/1045275361.db2.gz DTPDJDQKFSWFCF-FQEVSTJZSA-N 1 1 330.431 4.214 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000611287725 1045276437 /nfs/dbraw/zinc/27/64/37/1045276437.db2.gz DTPDJDQKFSWFCF-HXUWFJFHSA-N 1 1 330.431 4.214 20 30 EIEDMO C[C@H]([NH2+][C@@H](CN1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438339 1045308662 /nfs/dbraw/zinc/30/86/62/1045308662.db2.gz YGRLFCOZQWVJRU-AVRDEDQJSA-N 1 1 333.479 4.436 20 30 EIEDMO CCn1nc(C)c(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)c1C ZINC000762601759 1045312897 /nfs/dbraw/zinc/31/28/97/1045312897.db2.gz AZKYSIZYNFREGC-ZHACJKMWSA-N 1 1 336.439 4.187 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/COc3c(F)cccc3C2=O)c2ccccn21 ZINC000762605775 1045313276 /nfs/dbraw/zinc/31/32/76/1045313276.db2.gz ZDUBCBZWADQZLE-RAXLEYEMSA-N 1 1 336.366 4.256 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495796082 1045411493 /nfs/dbraw/zinc/41/14/93/1045411493.db2.gz SMMLLTLMNOYTKL-FQEVSTJZSA-N 1 1 349.519 4.039 20 30 EIEDMO CCCCCCCOc1cccc(C[N@H+]2CCCN(C(C)=O)CC2)c1 ZINC000768215836 1045753308 /nfs/dbraw/zinc/75/33/08/1045753308.db2.gz NHLJCZNSNPXBKY-UHFFFAOYSA-N 1 1 346.515 4.090 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272704109 1045809359 /nfs/dbraw/zinc/80/93/59/1045809359.db2.gz TVEABYPYRCTFKZ-HDMKZQKVSA-N 1 1 329.463 4.001 20 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ZINC000769012953 1045877414 /nfs/dbraw/zinc/87/74/14/1045877414.db2.gz LHZGSNWDENUVTK-UHFFFAOYSA-N 1 1 337.442 4.364 20 30 EIEDMO C=CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccc1F ZINC000769012953 1045877419 /nfs/dbraw/zinc/87/74/19/1045877419.db2.gz LHZGSNWDENUVTK-UHFFFAOYSA-N 1 1 337.442 4.364 20 30 EIEDMO CC(C)C[N@H+](Cc1cccc(C#N)c1F)C[C@@H](O)c1ccc(F)cc1 ZINC000769165036 1045889200 /nfs/dbraw/zinc/88/92/00/1045889200.db2.gz XLJKYNSWNRGJEF-LJQANCHMSA-N 1 1 344.405 4.028 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc(Br)c1O ZINC000769335562 1045926576 /nfs/dbraw/zinc/92/65/76/1045926576.db2.gz LXAVVVCYAKGQQC-UHFFFAOYSA-N 1 1 339.277 4.307 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(Br)c1O ZINC000769335562 1045926588 /nfs/dbraw/zinc/92/65/88/1045926588.db2.gz LXAVVVCYAKGQQC-UHFFFAOYSA-N 1 1 339.277 4.307 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000769426710 1045957642 /nfs/dbraw/zinc/95/76/42/1045957642.db2.gz HBNOUOSURLMLAJ-INIZCTEOSA-N 1 1 338.426 4.324 20 30 EIEDMO CC(=[NH+]Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000916269361 1045976642 /nfs/dbraw/zinc/97/66/42/1045976642.db2.gz IZDWZCHGLARBPD-UHFFFAOYSA-N 1 1 329.831 4.013 20 30 EIEDMO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000769471195 1045985603 /nfs/dbraw/zinc/98/56/03/1045985603.db2.gz QMFPDIBJKGUNLJ-OAHLLOKOSA-N 1 1 328.481 4.219 20 30 EIEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000769471195 1045985619 /nfs/dbraw/zinc/98/56/19/1045985619.db2.gz QMFPDIBJKGUNLJ-OAHLLOKOSA-N 1 1 328.481 4.219 20 30 EIEDMO CC(C)[Si](C#C[NH2+]CC(=O)c1ccc(O)c(O)c1)(C(C)C)C(C)C ZINC001170316082 1045995519 /nfs/dbraw/zinc/99/55/19/1045995519.db2.gz KVNNCBLGKJUSLA-UHFFFAOYSA-N 1 1 347.531 4.049 20 30 EIEDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c1 ZINC000769549126 1046016511 /nfs/dbraw/zinc/01/65/11/1046016511.db2.gz NUNRKOHDWJAEKQ-VQTJNVASSA-N 1 1 336.435 4.063 20 30 EIEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000496669645 1046021698 /nfs/dbraw/zinc/02/16/98/1046021698.db2.gz YVYRLXSYIVFNEU-HZPDHXFCSA-N 1 1 337.508 4.084 20 30 EIEDMO CO[C@@H]1CCC[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170386769 1046025285 /nfs/dbraw/zinc/02/52/85/1046025285.db2.gz LRTAMROQTRUBJM-SQVQARRISA-N 1 1 338.495 4.137 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001170389048 1046025421 /nfs/dbraw/zinc/02/54/21/1046025421.db2.gz JVVPANPVZJTIOY-KPQWGBOZSA-N 1 1 331.463 4.275 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001170389465 1046025988 /nfs/dbraw/zinc/02/59/88/1046025988.db2.gz TZQNLWUVVHNCBK-OOMBGRCJSA-N 1 1 346.474 4.464 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001170395710 1046028735 /nfs/dbraw/zinc/02/87/35/1046028735.db2.gz NBLOPCHWYIGDQO-UHFFFAOYSA-N 1 1 332.447 4.154 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001170394811 1046029379 /nfs/dbraw/zinc/02/93/79/1046029379.db2.gz BBZOKFVETCIDEH-UHFFFAOYSA-N 1 1 338.495 4.426 20 30 EIEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000769962316 1046110648 /nfs/dbraw/zinc/11/06/48/1046110648.db2.gz WZFVQPBLKCDPDM-GFCCVEGCSA-N 1 1 329.856 4.170 20 30 EIEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000497019379 1046168395 /nfs/dbraw/zinc/16/83/95/1046168395.db2.gz SEXHVXVLXOWOMP-DLBZAZTESA-N 1 1 349.519 4.228 20 30 EIEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000497019382 1046169176 /nfs/dbraw/zinc/16/91/76/1046169176.db2.gz SEXHVXVLXOWOMP-SJORKVTESA-N 1 1 349.519 4.228 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000770289756 1046169082 /nfs/dbraw/zinc/16/90/82/1046169082.db2.gz CHLSNTLVPFCWSD-PXNSSMCTSA-N 1 1 340.492 4.488 20 30 EIEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001168275643 1046273655 /nfs/dbraw/zinc/27/36/55/1046273655.db2.gz YTZXNOCMWLGLLI-FQEVSTJZSA-N 1 1 326.484 4.491 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000152530883 1046287176 /nfs/dbraw/zinc/28/71/76/1046287176.db2.gz WRQOXTJDCULVQS-INIZCTEOSA-N 1 1 329.444 4.226 20 30 EIEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000125422439 1046306603 /nfs/dbraw/zinc/30/66/03/1046306603.db2.gz SVJFKPQYBMMAHD-CYBMUJFWSA-N 1 1 328.378 4.321 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000793617850 1046314469 /nfs/dbraw/zinc/31/44/69/1046314469.db2.gz SZEPQWXNVFCWIB-JKSUJKDBSA-N 1 1 326.267 4.267 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c[nH]nc1-c1cccnc1 ZINC000162790269 1046520866 /nfs/dbraw/zinc/52/08/66/1046520866.db2.gz PBIWLPNXXDBFSU-UHFFFAOYSA-N 1 1 344.871 4.375 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c[nH]nc1-c1cccnc1 ZINC000162790269 1046520879 /nfs/dbraw/zinc/52/08/79/1046520879.db2.gz PBIWLPNXXDBFSU-UHFFFAOYSA-N 1 1 344.871 4.375 20 30 EIEDMO C=CCC[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CC1 ZINC000786473383 1046840000 /nfs/dbraw/zinc/84/00/00/1046840000.db2.gz CYSFYFKFJUNVER-OAHLLOKOSA-N 1 1 347.365 4.107 20 30 EIEDMO CC(=[NH+]OCc1cccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000746587226 1046840303 /nfs/dbraw/zinc/84/03/03/1046840303.db2.gz JUZHHCFWIUMLRQ-UHFFFAOYSA-N 1 1 327.403 4.152 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000026363472 1046882240 /nfs/dbraw/zinc/88/22/40/1046882240.db2.gz XCXNMQHNDWUOHQ-NWDGAFQWSA-N 1 1 345.830 4.099 20 30 EIEDMO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000497612515 1046891246 /nfs/dbraw/zinc/89/12/46/1046891246.db2.gz SCNZOVGVAXVMNP-CQSZACIVSA-N 1 1 343.833 4.234 20 30 EIEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170481336 1046894551 /nfs/dbraw/zinc/89/45/51/1046894551.db2.gz SBPWDHHQOMQVBH-HXUWFJFHSA-N 1 1 337.438 4.141 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000537092570 1046938718 /nfs/dbraw/zinc/93/87/18/1046938718.db2.gz ASNIRTKFOPOCTR-ZDUSSCGKSA-N 1 1 347.817 4.199 20 30 EIEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000746666945 1046975155 /nfs/dbraw/zinc/97/51/55/1046975155.db2.gz SDKYTWFXTKZNNV-UHFFFAOYSA-N 1 1 329.488 4.068 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420475 1047002972 /nfs/dbraw/zinc/00/29/72/1047002972.db2.gz HQFWLIYABNZAME-WFASDCNBSA-N 1 1 326.362 4.140 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787416232 1047004996 /nfs/dbraw/zinc/00/49/96/1047004996.db2.gz AGFBLBZXWAMKJU-MRXNPFEDSA-N 1 1 339.405 4.199 20 30 EIEDMO COc1ccc(CC[N@@H+](CCC(C)(C)C#N)CC(C)C)cc1OC ZINC000537366748 1047154388 /nfs/dbraw/zinc/15/43/88/1047154388.db2.gz XOHHKBYNIPOXOC-UHFFFAOYSA-N 1 1 332.488 4.144 20 30 EIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000788479547 1047199218 /nfs/dbraw/zinc/19/92/18/1047199218.db2.gz VPSHFNXCYNVFCR-ZDUSSCGKSA-N 1 1 327.359 4.189 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1nc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000788560906 1047224114 /nfs/dbraw/zinc/22/41/14/1047224114.db2.gz CIAPCOASDZOXOM-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000918064501 1047309946 /nfs/dbraw/zinc/30/99/46/1047309946.db2.gz SUXKLTOYSKUNRP-GOSISDBHSA-N 1 1 343.515 4.025 20 30 EIEDMO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000788814221 1047326094 /nfs/dbraw/zinc/32/60/94/1047326094.db2.gz KIGSQDBSCNQCIM-PNESKVBLSA-N 1 1 326.362 4.392 20 30 EIEDMO Oc1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362271 1047385381 /nfs/dbraw/zinc/38/53/81/1047385381.db2.gz VPBDTIRTMVARAX-XLTHYULKSA-N 1 1 348.899 4.438 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446735 1047396871 /nfs/dbraw/zinc/39/68/71/1047396871.db2.gz YDDQOJZXTQJGBJ-UHFFFAOYSA-N 1 1 341.252 4.485 20 30 EIEDMO N#Cc1ccccc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446735 1047396878 /nfs/dbraw/zinc/39/68/78/1047396878.db2.gz YDDQOJZXTQJGBJ-UHFFFAOYSA-N 1 1 341.252 4.485 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)nc1 ZINC000780556053 1047404287 /nfs/dbraw/zinc/40/42/87/1047404287.db2.gz LSVSBEKDDVKFTA-UHFFFAOYSA-N 1 1 341.842 4.218 20 30 EIEDMO C[C@@H]1CC(N=Nc2nccnc2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000807993702 1047566364 /nfs/dbraw/zinc/56/63/64/1047566364.db2.gz DTIHSVJWFRNVHF-MRXNPFEDSA-N 1 1 349.482 4.197 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000763430956 1047580001 /nfs/dbraw/zinc/58/00/01/1047580001.db2.gz GUPJVLRNKOTEBC-UHFFFAOYSA-N 1 1 335.234 4.434 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000790471480 1047593260 /nfs/dbraw/zinc/59/32/60/1047593260.db2.gz QGJFOVIUOCMTLY-OAHLLOKOSA-N 1 1 343.496 4.411 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000170984241 1047601997 /nfs/dbraw/zinc/60/19/97/1047601997.db2.gz DASVJGRLEDODQL-INIZCTEOSA-N 1 1 347.528 4.243 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194747451 1047666061 /nfs/dbraw/zinc/66/60/61/1047666061.db2.gz BRVWRYJNYBDENA-KRWDZBQOSA-N 1 1 347.462 4.114 20 30 EIEDMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001171078637 1048058227 /nfs/dbraw/zinc/05/82/27/1048058227.db2.gz NOCIPTIEKGQSPV-ZDUSSCGKSA-N 1 1 345.512 4.090 20 30 EIEDMO C[C@]1(COC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000805889221 1048062855 /nfs/dbraw/zinc/06/28/55/1048062855.db2.gz AKSGVIHQMQIZEZ-HXUWFJFHSA-N 1 1 328.456 4.058 20 30 EIEDMO N#Cc1cccc(Cl)c1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001143719507 1048163283 /nfs/dbraw/zinc/16/32/83/1048163283.db2.gz ZUIPGVBMXWWVGM-UHFFFAOYSA-N 1 1 343.902 4.052 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001143731729 1048178553 /nfs/dbraw/zinc/17/85/53/1048178553.db2.gz CQZHUSOLKKQAKE-UHFFFAOYSA-N 1 1 338.838 4.138 20 30 EIEDMO C[N@@H+](CCCc1ccccc1Cl)CCOCc1ccc(C#N)cc1 ZINC001170769833 1048219866 /nfs/dbraw/zinc/21/98/66/1048219866.db2.gz UGUIDCAHDIJKNT-UHFFFAOYSA-N 1 1 342.870 4.293 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000815023515 1048300532 /nfs/dbraw/zinc/30/05/32/1048300532.db2.gz XGCPZAPBGADSPJ-HNAYVOBHSA-N 1 1 334.419 4.421 20 30 EIEDMO C[C@@H](CCSc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366252 1048304915 /nfs/dbraw/zinc/30/49/15/1048304915.db2.gz LQLNECKFKJNBKB-OXJNMPFZSA-N 1 1 340.492 4.094 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000556960566 1048321880 /nfs/dbraw/zinc/32/18/80/1048321880.db2.gz VPQMPDXSRYZNNF-WOJBJXKFSA-N 1 1 348.494 4.474 20 30 EIEDMO COc1ccc(F)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1F ZINC001143984627 1048325635 /nfs/dbraw/zinc/32/56/35/1048325635.db2.gz YWSIZDGVCKIXPE-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000815126009 1048339059 /nfs/dbraw/zinc/33/90/59/1048339059.db2.gz FAGZRNUMDNGDOH-HNNXBMFYSA-N 1 1 330.815 4.016 20 30 EIEDMO C=CC[C@@H](C)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001144020902 1048368645 /nfs/dbraw/zinc/36/86/45/1048368645.db2.gz JFBZVRVVDPLPIL-VQIMIIECSA-N 1 1 334.463 4.415 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCSC[C@H]2c2cccc3ccccc32)c1 ZINC001144086442 1048404319 /nfs/dbraw/zinc/40/43/19/1048404319.db2.gz SNMSRAPUKBDCNE-NRFANRHFSA-N 1 1 345.471 4.397 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CCSC[C@H]2c2cccc3ccccc32)c1 ZINC001144086442 1048404323 /nfs/dbraw/zinc/40/43/23/1048404323.db2.gz SNMSRAPUKBDCNE-NRFANRHFSA-N 1 1 345.471 4.397 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001144084810 1048414010 /nfs/dbraw/zinc/41/40/10/1048414010.db2.gz NQORWEJIRASDOV-QGZVFWFLSA-N 1 1 331.341 4.309 20 30 EIEDMO N#Cc1cncc(C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144085157 1048414536 /nfs/dbraw/zinc/41/45/36/1048414536.db2.gz VGBRTQJLZOJOFG-QAPCUYQASA-N 1 1 344.245 4.034 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144085157 1048414541 /nfs/dbraw/zinc/41/45/41/1048414541.db2.gz VGBRTQJLZOJOFG-QAPCUYQASA-N 1 1 344.245 4.034 20 30 EIEDMO C#Cc1ccc(CNCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000809618628 1048421761 /nfs/dbraw/zinc/42/17/61/1048421761.db2.gz MIIMGPRAOSNORZ-UHFFFAOYSA-N 1 1 332.491 4.334 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809789763 1048533579 /nfs/dbraw/zinc/53/35/79/1048533579.db2.gz DIRPRBLQBLGUFO-MRXNPFEDSA-N 1 1 336.435 4.151 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cn1 ZINC001144263014 1048545180 /nfs/dbraw/zinc/54/51/80/1048545180.db2.gz MDPMLOFXRJPQFV-KRWDZBQOSA-N 1 1 343.430 4.422 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cn1 ZINC001144263014 1048545190 /nfs/dbraw/zinc/54/51/90/1048545190.db2.gz MDPMLOFXRJPQFV-KRWDZBQOSA-N 1 1 343.430 4.422 20 30 EIEDMO CCCCCCCC[N@@H+](C)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279024 1048558594 /nfs/dbraw/zinc/55/85/94/1048558594.db2.gz LSGYBFWCNFHGGG-UHFFFAOYSA-N 1 1 349.471 4.330 20 30 EIEDMO CCOc1ccc(/C=N/[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174422 1048570809 /nfs/dbraw/zinc/57/08/09/1048570809.db2.gz MAZBELMETRWCPA-ISXIEHEGSA-N 1 1 338.451 4.045 20 30 EIEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170598771 1048651592 /nfs/dbraw/zinc/65/15/92/1048651592.db2.gz JKGLEDMBMMYTIE-PKOBYXMFSA-N 1 1 333.520 4.271 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170598764 1048652146 /nfs/dbraw/zinc/65/21/46/1048652146.db2.gz JKGLEDMBMMYTIE-HKUYNNGSSA-N 1 1 333.520 4.271 20 30 EIEDMO C#CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000920415758 1048668437 /nfs/dbraw/zinc/66/84/37/1048668437.db2.gz JXAIFZMKVOJKIK-UHFFFAOYSA-N 1 1 346.780 4.031 20 30 EIEDMO [NH2+]=C(Nc1ccc(OC(F)F)cc1F)c1ccc2cc(O)ccc2c1 ZINC001171184421 1048673929 /nfs/dbraw/zinc/67/39/29/1048673929.db2.gz KDSBOQILUGWQLP-UHFFFAOYSA-N 1 1 346.308 4.323 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c1=S ZINC000920485026 1048683953 /nfs/dbraw/zinc/68/39/53/1048683953.db2.gz NSGBRBREDCFCMQ-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c1=S ZINC000920485026 1048683957 /nfs/dbraw/zinc/68/39/57/1048683957.db2.gz NSGBRBREDCFCMQ-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO Cc1[nH+]c(C=NNc2ccc(Br)c(C)c2)c2ccccn12 ZINC000920479508 1048692367 /nfs/dbraw/zinc/69/23/67/1048692367.db2.gz OXPDUBSGWJVHCW-UHFFFAOYSA-N 1 1 343.228 4.160 20 30 EIEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000133623901 1048751367 /nfs/dbraw/zinc/75/13/67/1048751367.db2.gz PUOAFEVNCFMSCS-SJORKVTESA-N 1 1 346.434 4.033 20 30 EIEDMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1C(F)(F)F ZINC000846006332 1048784468 /nfs/dbraw/zinc/78/44/68/1048784468.db2.gz IFJVAXJJZXKUHI-GOSISDBHSA-N 1 1 348.368 4.051 20 30 EIEDMO C[NH+](C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000920942675 1048817120 /nfs/dbraw/zinc/81/71/20/1048817120.db2.gz JQZJQKIBMQZQKA-OBLBUWMUSA-N 1 1 337.250 4.421 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717123 1048817667 /nfs/dbraw/zinc/81/76/67/1048817667.db2.gz ANLKEMVVKMOKHZ-IBGZPJMESA-N 1 1 331.419 4.083 20 30 EIEDMO Oc1ccc2ccccc2c1/C=N\[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920945225 1048819077 /nfs/dbraw/zinc/81/90/77/1048819077.db2.gz SSRFWDOHUCAAOO-CSMVZQPBSA-N 1 1 330.431 4.239 20 30 EIEDMO C#CCCCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816840222 1048866322 /nfs/dbraw/zinc/86/63/22/1048866322.db2.gz GOIOYLAMHWTTIG-UHFFFAOYSA-N 1 1 347.462 4.167 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231955 1048871035 /nfs/dbraw/zinc/87/10/35/1048871035.db2.gz OQQNDIZUNJIAED-IIBYNOLFSA-N 1 1 348.446 4.113 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231953 1048871473 /nfs/dbraw/zinc/87/14/73/1048871473.db2.gz OQQNDIZUNJIAED-HRAATJIYSA-N 1 1 348.446 4.113 20 30 EIEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233003 1048872258 /nfs/dbraw/zinc/87/22/58/1048872258.db2.gz YPSYNCIYJXPIHA-HRAATJIYSA-N 1 1 348.446 4.113 20 30 EIEDMO O[C@H](C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660869 1048899709 /nfs/dbraw/zinc/89/97/09/1048899709.db2.gz WGISLZMUVFTUKR-VQTJNVASSA-N 1 1 341.426 4.139 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000076734678 1048934142 /nfs/dbraw/zinc/93/41/42/1048934142.db2.gz GMQDRELAZYRXOG-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170878664 1049041730 /nfs/dbraw/zinc/04/17/30/1049041730.db2.gz LOTGFFDYHYFLDW-QGZVFWFLSA-N 1 1 335.289 4.322 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171297942 1049097255 /nfs/dbraw/zinc/09/72/55/1049097255.db2.gz QPXUSBFTEGFZLV-FUHWJXTLSA-N 1 1 327.472 4.033 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171297944 1049098208 /nfs/dbraw/zinc/09/82/08/1049098208.db2.gz QPXUSBFTEGFZLV-SJLPKXTDSA-N 1 1 327.472 4.033 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(Cl)cc1 ZINC000811517255 1049100317 /nfs/dbraw/zinc/10/03/17/1049100317.db2.gz MMCJPTSPNBHNDV-GOSISDBHSA-N 1 1 341.838 4.449 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(Cl)cc1 ZINC000811516810 1049100388 /nfs/dbraw/zinc/10/03/88/1049100388.db2.gz BVQPDSPWQKTCOA-KRWDZBQOSA-N 1 1 329.827 4.211 20 30 EIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345654 1049127513 /nfs/dbraw/zinc/12/75/13/1049127513.db2.gz WRAYENQMRQUXJY-WBVHZDCISA-N 1 1 345.512 4.141 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000609540052 1049142154 /nfs/dbraw/zinc/14/21/54/1049142154.db2.gz NKZRTLAGZQISQI-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000609540052 1049142135 /nfs/dbraw/zinc/14/21/35/1049142135.db2.gz NKZRTLAGZQISQI-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772197 1049311949 /nfs/dbraw/zinc/31/19/49/1049311949.db2.gz ZEGLMLZWDCJUCV-SFHVURJKSA-N 1 1 347.890 4.097 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819457364 1049320385 /nfs/dbraw/zinc/32/03/85/1049320385.db2.gz ACHLEZHAWWBFSY-HTAPYJJXSA-N 1 1 349.478 4.391 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819457364 1049320400 /nfs/dbraw/zinc/32/04/00/1049320400.db2.gz ACHLEZHAWWBFSY-HTAPYJJXSA-N 1 1 349.478 4.391 20 30 EIEDMO C=C[C@H](CC)CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252074 1049357697 /nfs/dbraw/zinc/35/76/97/1049357697.db2.gz AAKUTWMAAASHTI-CEXWTWQISA-N 1 1 342.527 4.383 20 30 EIEDMO N#Cc1cccc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000609893347 1049385739 /nfs/dbraw/zinc/38/57/39/1049385739.db2.gz HCIXEKADUXLYDD-SFHVURJKSA-N 1 1 340.858 4.073 20 30 EIEDMO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001133257027 1049436485 /nfs/dbraw/zinc/43/64/85/1049436485.db2.gz IFJYMKBZRXOBLA-QUCCMNQESA-N 1 1 328.500 4.102 20 30 EIEDMO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000348206582 1049494110 /nfs/dbraw/zinc/49/41/10/1049494110.db2.gz MJVBNXAJHPMEHB-SGTLLEGYSA-N 1 1 332.806 4.125 20 30 EIEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cnc2c1ccn2CC=C ZINC001171368086 1049517023 /nfs/dbraw/zinc/51/70/23/1049517023.db2.gz APBKCJWKNUPQOH-OAHLLOKOSA-N 1 1 334.423 4.355 20 30 EIEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000773005124 1049518325 /nfs/dbraw/zinc/51/83/25/1049518325.db2.gz OMOCJNPNWRTPQA-HIFRSBDPSA-N 1 1 327.827 4.177 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000773042456 1049545697 /nfs/dbraw/zinc/54/56/97/1049545697.db2.gz VLAMLULODPDQNW-ZDUSSCGKSA-N 1 1 344.798 4.111 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCC(C)C)c1)c1ccc(F)cc1 ZINC000812792483 1049582347 /nfs/dbraw/zinc/58/23/47/1049582347.db2.gz AIHBPTQTBMRNTC-LJQANCHMSA-N 1 1 341.426 4.333 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)nc1)c1ccc(F)cc1 ZINC000812792038 1049589328 /nfs/dbraw/zinc/58/93/28/1049589328.db2.gz IXIPHYZEKUWHQJ-OAQYLSRUSA-N 1 1 345.421 4.453 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(F)cc1 ZINC000812794953 1049595180 /nfs/dbraw/zinc/59/51/80/1049595180.db2.gz JQZCJJKEDQORRD-LJQANCHMSA-N 1 1 339.410 4.245 20 30 EIEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849958 1049612075 /nfs/dbraw/zinc/61/20/75/1049612075.db2.gz RZJSQEHQRZEJMT-UZLBHIALSA-N 1 1 327.855 4.136 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853332 1049615803 /nfs/dbraw/zinc/61/58/03/1049615803.db2.gz DANIBDFGYIEYEC-UZLBHIALSA-N 1 1 327.855 4.136 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c2ccccc21 ZINC000245409895 1049709026 /nfs/dbraw/zinc/70/90/26/1049709026.db2.gz OLTZURGVJOKTAR-VQIMIIECSA-N 1 1 335.451 4.002 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)c2ccccc21 ZINC000245409895 1049709036 /nfs/dbraw/zinc/70/90/36/1049709036.db2.gz OLTZURGVJOKTAR-VQIMIIECSA-N 1 1 335.451 4.002 20 30 EIEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458134 1049711213 /nfs/dbraw/zinc/71/12/13/1049711213.db2.gz NMOMGRZJBIAGAT-UYAOXDASSA-N 1 1 326.484 4.475 20 30 EIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)c1C ZINC000813319176 1049744006 /nfs/dbraw/zinc/74/40/06/1049744006.db2.gz VJAKBXOPHXSRAJ-GHXNOFRVSA-N 1 1 342.402 4.013 20 30 EIEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171527221 1049749401 /nfs/dbraw/zinc/74/94/01/1049749401.db2.gz ABDLQIQXDDSXJU-MRXNPFEDSA-N 1 1 344.380 4.377 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171527221 1049749406 /nfs/dbraw/zinc/74/94/06/1049749406.db2.gz ABDLQIQXDDSXJU-MRXNPFEDSA-N 1 1 344.380 4.377 20 30 EIEDMO CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171602885 1049765459 /nfs/dbraw/zinc/76/54/59/1049765459.db2.gz AFIGXWIRBHOSJA-CVEARBPZSA-N 1 1 337.508 4.036 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2cccc3ccnn32)cc1 ZINC001170708291 1049790009 /nfs/dbraw/zinc/79/00/09/1049790009.db2.gz SVCJDYFOMBJIKV-OAQYLSRUSA-N 1 1 332.451 4.269 20 30 EIEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171771993 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ZINC001171983006 1049839309 /nfs/dbraw/zinc/83/93/09/1049839309.db2.gz LVJSDHGWZQAJHC-QFIPXVFZSA-N 1 1 332.491 4.201 20 30 EIEDMO CN(Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840430 /nfs/dbraw/zinc/84/04/30/1049840430.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840442 /nfs/dbraw/zinc/84/04/42/1049840442.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840445 /nfs/dbraw/zinc/84/04/45/1049840445.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 1 1 347.506 4.433 20 30 EIEDMO CCC[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071510 1049842922 /nfs/dbraw/zinc/84/29/22/1049842922.db2.gz XGPCYWWDTDBPJF-BURNTYAHSA-N 1 1 325.500 4.244 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075029 1049844226 /nfs/dbraw/zinc/84/42/26/1049844226.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 1 1 337.511 4.198 20 30 EIEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172075029 1049844228 /nfs/dbraw/zinc/84/42/28/1049844228.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 1 1 337.511 4.198 20 30 EIEDMO CCC(C#N)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067084 1049851806 /nfs/dbraw/zinc/85/18/06/1049851806.db2.gz FEPCLNUWQQPFMH-ACDBMABISA-N 1 1 325.500 4.244 20 30 EIEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001172128208 1049852604 /nfs/dbraw/zinc/85/26/04/1049852604.db2.gz PXQFHPJRYURZGS-REPLKXPHSA-N 1 1 331.891 4.071 20 30 EIEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616126438 1049854088 /nfs/dbraw/zinc/85/40/88/1049854088.db2.gz ZYWFPPSYCWMDCQ-OAQYLSRUSA-N 1 1 336.479 4.177 20 30 EIEDMO CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001172308509 1049874580 /nfs/dbraw/zinc/87/45/80/1049874580.db2.gz KWLONSJADIWGJR-ROUUACIJSA-N 1 1 336.479 4.451 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310003 1049874617 /nfs/dbraw/zinc/87/46/17/1049874617.db2.gz ZFOAQLDOJNJPBH-MBSDFSHPSA-N 1 1 341.458 4.396 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172319366 1049877538 /nfs/dbraw/zinc/87/75/38/1049877538.db2.gz NLDIXOHZWCQAGZ-IUKKYPGJSA-N 1 1 348.490 4.495 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCn2nnc(COCC)c2C1 ZINC001172354101 1049893096 /nfs/dbraw/zinc/89/30/96/1049893096.db2.gz FGYJHBQCZCYNJU-QGZVFWFLSA-N 1 1 336.524 4.159 20 30 EIEDMO C=C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC001136812372 1049894710 /nfs/dbraw/zinc/89/47/10/1049894710.db2.gz CYDKLVVAWDBKCF-ZJOUEHCJSA-N 1 1 340.511 4.069 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001172493787 1049921341 /nfs/dbraw/zinc/92/13/41/1049921341.db2.gz CYGQRPFKGIIINZ-HKUYNNGSSA-N 1 1 347.453 4.306 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496310 1049922293 /nfs/dbraw/zinc/92/22/93/1049922293.db2.gz LYFDZOMGWDACOJ-FXAWDEMLSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001172500839 1049922598 /nfs/dbraw/zinc/92/25/98/1049922598.db2.gz AXFLRJBYRWFVKS-HZPDHXFCSA-N 1 1 333.476 4.058 20 30 EIEDMO CCCC[C@H]1C[N@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498442 1049923138 /nfs/dbraw/zinc/92/31/38/1049923138.db2.gz MWLAXGCKZLCWMS-SJORKVTESA-N 1 1 337.508 4.180 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172505566 1049924134 /nfs/dbraw/zinc/92/41/34/1049924134.db2.gz PHTGKEFLZWMXEK-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCCCCCC[C@H](CC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172505253 1049924589 /nfs/dbraw/zinc/92/45/89/1049924589.db2.gz KYSAIYZRVDBKIY-FQEVSTJZSA-N 1 1 337.596 4.227 20 30 EIEDMO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1[C@H](C)CCCC#N ZINC001172510066 1049925231 /nfs/dbraw/zinc/92/52/31/1049925231.db2.gz VATKTQUIENCLIV-NEWSRXKRSA-N 1 1 328.456 4.228 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172509086 1049926178 /nfs/dbraw/zinc/92/61/78/1049926178.db2.gz SEZMIFDKNXBIND-RTBURBONSA-N 1 1 335.536 4.495 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560465 1049933544 /nfs/dbraw/zinc/93/35/44/1049933544.db2.gz IOVDNYZUAUNMDL-MLNNCEHLSA-N 1 1 341.495 4.149 20 30 EIEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180759771 1049942384 /nfs/dbraw/zinc/94/23/84/1049942384.db2.gz QKQFSUKGPZPNBP-AEFFLSMTSA-N 1 1 338.854 4.085 20 30 EIEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180759771 1049942386 /nfs/dbraw/zinc/94/23/86/1049942386.db2.gz QKQFSUKGPZPNBP-AEFFLSMTSA-N 1 1 338.854 4.085 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648879 1049956014 /nfs/dbraw/zinc/95/60/14/1049956014.db2.gz KBWNVOCJMVPOSH-RCCFBDPRSA-N 1 1 349.519 4.180 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648879 1049956023 /nfs/dbraw/zinc/95/60/23/1049956023.db2.gz KBWNVOCJMVPOSH-RCCFBDPRSA-N 1 1 349.519 4.180 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1 ZINC001172651929 1049956056 /nfs/dbraw/zinc/95/60/56/1049956056.db2.gz UMAOLQGTNHLSAH-GUDVDZBRSA-N 1 1 348.531 4.290 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652578 1049956492 /nfs/dbraw/zinc/95/64/92/1049956492.db2.gz YDACMVGABPTHHP-DLBZAZTESA-N 1 1 337.508 4.180 20 30 EIEDMO CC(C)Oc1ccc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001212308119 1050017001 /nfs/dbraw/zinc/01/70/01/1050017001.db2.gz INASXUVTKBWUDB-UHFFFAOYSA-N 1 1 345.443 4.278 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2Cl)no1 ZINC001212325290 1050059557 /nfs/dbraw/zinc/05/95/57/1050059557.db2.gz MNXMBHULWJTFDN-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(C(F)(F)F)c2)no1 ZINC001212325440 1050061006 /nfs/dbraw/zinc/06/10/06/1050061006.db2.gz RFYOAUHZMRGFNZ-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c(Br)c1 ZINC000181471894 1050141036 /nfs/dbraw/zinc/14/10/36/1050141036.db2.gz QUWRCRRLPGALTA-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791748 1050157798 /nfs/dbraw/zinc/15/77/98/1050157798.db2.gz NBYHFDGRCOUXSE-HKUYNNGSSA-N 1 1 334.504 4.437 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172875734 1050217798 /nfs/dbraw/zinc/21/77/98/1050217798.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001172875734 1050217821 /nfs/dbraw/zinc/21/78/21/1050217821.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172875734 1050217833 /nfs/dbraw/zinc/21/78/33/1050217833.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 1 1 339.913 4.095 20 30 EIEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001173089500 1050281332 /nfs/dbraw/zinc/28/13/32/1050281332.db2.gz XGKAJBOURPERDJ-ZFWWWQNUSA-N 1 1 326.362 4.142 20 30 EIEDMO C=C(Br)C[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001177742417 1050291371 /nfs/dbraw/zinc/29/13/71/1050291371.db2.gz IRCXVTTUPKLGFO-UHFFFAOYSA-N 1 1 325.637 4.195 20 30 EIEDMO Cc1cc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000618192279 1050303256 /nfs/dbraw/zinc/30/32/56/1050303256.db2.gz ALWNNMOZELASCV-JOCHJYFZSA-N 1 1 333.479 4.184 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000763498921 1050312836 /nfs/dbraw/zinc/31/28/36/1050312836.db2.gz FZXZZINJZYNNJP-FCHUYYIVSA-N 1 1 332.447 4.134 20 30 EIEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(Oc2ccccc2)CC1)[C@@H](C)CC ZINC001173198232 1050342132 /nfs/dbraw/zinc/34/21/32/1050342132.db2.gz QSKXBLDAPNJXRC-KTLDDFEXSA-N 1 1 345.483 4.110 20 30 EIEDMO Fc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618449046 1050387233 /nfs/dbraw/zinc/38/72/33/1050387233.db2.gz DYNNSYRAARNKSH-QWRGUYRKSA-N 1 1 329.259 4.388 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001173322241 1050415325 /nfs/dbraw/zinc/41/53/25/1050415325.db2.gz ZNFVXCAFJGVXRD-UHFFFAOYSA-N 1 1 342.405 4.089 20 30 EIEDMO C=CCOC1CCC([N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001173321649 1050415582 /nfs/dbraw/zinc/41/55/82/1050415582.db2.gz NOUXSVKLILEWJU-FQVISZRSSA-N 1 1 331.500 4.462 20 30 EIEDMO C=CCOC1CCC([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173325326 1050417741 /nfs/dbraw/zinc/41/77/41/1050417741.db2.gz JHLZHZGKTIXAGH-RVEPMOMFSA-N 1 1 342.527 4.095 20 30 EIEDMO CN(C[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173331003 1050422982 /nfs/dbraw/zinc/42/29/82/1050422982.db2.gz JIHUFJUIXZFYLO-ADKAHSJRSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C1CCC(CC#N)CC1 ZINC001173337097 1050424524 /nfs/dbraw/zinc/42/45/24/1050424524.db2.gz ZCVDHUMILBGMKC-RBGSFJITSA-N 1 1 346.515 4.434 20 30 EIEDMO CCC[C@H]1C[N@H+](C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173336662 1050424699 /nfs/dbraw/zinc/42/46/99/1050424699.db2.gz IHIIOGJRNSWWOE-ABHNRTSZSA-N 1 1 349.519 4.180 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C1CCC(CC#N)CC1 ZINC001173337096 1050425301 /nfs/dbraw/zinc/42/53/01/1050425301.db2.gz ZCVDHUMILBGMKC-NQEVIQBJSA-N 1 1 346.515 4.434 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173336484 1050425609 /nfs/dbraw/zinc/42/56/09/1050425609.db2.gz AOPDMFTZXRCRQL-UHFFFAOYSA-N 1 1 349.519 4.180 20 30 EIEDMO COc1ccc([C@@H]2CSCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339465 1050426930 /nfs/dbraw/zinc/42/69/30/1050426930.db2.gz PIVMIMUYABJJBO-KVWWFHCMSA-N 1 1 330.497 4.258 20 30 EIEDMO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339552 1050428667 /nfs/dbraw/zinc/42/86/67/1050428667.db2.gz OOXWBYAOCGKKMQ-GQOXECLESA-N 1 1 340.467 4.473 20 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347.462 4.155 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001182186024 1051414447 /nfs/dbraw/zinc/41/44/47/1051414447.db2.gz ZBAYOJPKFHOSIZ-OAQYLSRUSA-N 1 1 340.511 4.256 20 30 EIEDMO C#CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001182186024 1051414457 /nfs/dbraw/zinc/41/44/57/1051414457.db2.gz ZBAYOJPKFHOSIZ-OAQYLSRUSA-N 1 1 340.511 4.256 20 30 EIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC001191350847 1051426903 /nfs/dbraw/zinc/42/69/03/1051426903.db2.gz SCYGYUGLCPVPNG-KRWDZBQOSA-N 1 1 339.483 4.322 20 30 EIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC001191350850 1051427224 /nfs/dbraw/zinc/42/72/24/1051427224.db2.gz SCYGYUGLCPVPNG-QGZVFWFLSA-N 1 1 339.483 4.322 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000775452418 1051445969 /nfs/dbraw/zinc/44/59/69/1051445969.db2.gz QQKVYSLDGZMZMB-UHFFFAOYSA-N 1 1 330.790 4.160 20 30 EIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC001191444508 1051460046 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QYIMHMZAMKZIGG-UHFFFAOYSA-N 1 1 340.430 4.308 20 30 EIEDMO N#CC1CCC(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC001192158807 1051644881 /nfs/dbraw/zinc/64/48/81/1051644881.db2.gz MLXDGMGPVZBCTJ-UHFFFAOYSA-N 1 1 326.484 4.124 20 30 EIEDMO C=CCC[C@@H](O)C[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542630644 1051645592 /nfs/dbraw/zinc/64/55/92/1051645592.db2.gz HVAYZJHXUHJEEA-QGZVFWFLSA-N 1 1 347.503 4.193 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001192653296 1051780846 /nfs/dbraw/zinc/78/08/46/1051780846.db2.gz MSCFRCMCDPIJRR-DLBZAZTESA-N 1 1 348.487 4.004 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1OC(F)F ZINC001192652515 1051781036 /nfs/dbraw/zinc/78/10/36/1051781036.db2.gz DJPCMHYXODUGGO-UHFFFAOYSA-N 1 1 325.330 4.251 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000158992580 1051803347 /nfs/dbraw/zinc/80/33/47/1051803347.db2.gz YDMUHUDWASRJCW-UHFFFAOYSA-N 1 1 326.440 4.067 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000159006000 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20 30 EIEDMO CCCC[C@H](CC)COC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001193945802 1052045130 /nfs/dbraw/zinc/04/51/30/1052045130.db2.gz YBSMVSVGPNDIFC-ZDUSSCGKSA-N 1 1 349.500 4.373 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001194051483 1052061403 /nfs/dbraw/zinc/06/14/03/1052061403.db2.gz DMGIFLDEGPRCIV-UHFFFAOYSA-N 1 1 326.396 4.182 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194476996 1052156546 /nfs/dbraw/zinc/15/65/46/1052156546.db2.gz HBBWQSBDWRGKMX-IBGZPJMESA-N 1 1 335.407 4.155 20 30 EIEDMO CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000081513859 1052157706 /nfs/dbraw/zinc/15/77/06/1052157706.db2.gz QZKQXJILWYDHCR-UHFFFAOYSA-N 1 1 337.423 4.043 20 30 EIEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000081513859 1052157715 /nfs/dbraw/zinc/15/77/15/1052157715.db2.gz QZKQXJILWYDHCR-UHFFFAOYSA-N 1 1 337.423 4.043 20 30 EIEDMO N#Cc1c(N)sc2c1CC[N@H+](Cc1ccc(C3CCCC3)cc1)C2 ZINC001176777423 1052189515 /nfs/dbraw/zinc/18/95/15/1052189515.db2.gz NCWFPDLCGNFZNC-UHFFFAOYSA-N 1 1 337.492 4.418 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)cc1C#N ZINC001176990140 1052213587 /nfs/dbraw/zinc/21/35/87/1052213587.db2.gz CUGGXBJMLLIQLM-GOSISDBHSA-N 1 1 336.483 4.198 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913994 1052282113 /nfs/dbraw/zinc/28/21/13/1052282113.db2.gz UGGQVVYDXCXIKT-RTWAWAEBSA-N 1 1 338.426 4.094 20 30 EIEDMO CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000072557981 1052434788 /nfs/dbraw/zinc/43/47/88/1052434788.db2.gz QEHBMXTZRZJOOR-LJQANCHMSA-N 1 1 332.407 4.095 20 30 EIEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000172324365 1052491751 /nfs/dbraw/zinc/49/17/51/1052491751.db2.gz WAYLFDOIVBYEDO-UHFFFAOYSA-N 1 1 332.469 4.225 20 30 EIEDMO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000072898022 1052622084 /nfs/dbraw/zinc/62/20/84/1052622084.db2.gz CEFCBSAUWKJHPC-FPOVZHCZSA-N 1 1 347.462 4.095 20 30 EIEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000181012009 1052873479 /nfs/dbraw/zinc/87/34/79/1052873479.db2.gz MVUCJYSVSULCSE-UHFFFAOYSA-N 1 1 348.368 4.418 20 30 EIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000181012009 1052873481 /nfs/dbraw/zinc/87/34/81/1052873481.db2.gz MVUCJYSVSULCSE-UHFFFAOYSA-N 1 1 348.368 4.418 20 30 EIEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000183929191 1052987362 /nfs/dbraw/zinc/98/73/62/1052987362.db2.gz SVTJAYQVUHVVJJ-UHFFFAOYSA-N 1 1 338.398 4.347 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000863851244 1053086169 /nfs/dbraw/zinc/08/61/69/1053086169.db2.gz NAKKCFUVBWZIJA-SFHVURJKSA-N 1 1 343.515 4.148 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775608975 1053090676 /nfs/dbraw/zinc/09/06/76/1053090676.db2.gz FAFDCNZPIXKPLL-QGZVFWFLSA-N 1 1 326.843 4.164 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775608975 1053090694 /nfs/dbraw/zinc/09/06/94/1053090694.db2.gz FAFDCNZPIXKPLL-QGZVFWFLSA-N 1 1 326.843 4.164 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000775615933 1053112229 /nfs/dbraw/zinc/11/22/29/1053112229.db2.gz VOXMBFFQDRHCBH-RBUKOAKNSA-N 1 1 338.451 4.169 20 30 EIEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064796 1053253395 /nfs/dbraw/zinc/25/33/95/1053253395.db2.gz MAVRDJMLDAYHAX-INIZCTEOSA-N 1 1 327.472 4.033 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001195277088 1053355666 /nfs/dbraw/zinc/35/56/66/1053355666.db2.gz DUYUGURMEQWQHA-DOTOQJQBSA-N 1 1 347.890 4.297 20 30 EIEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000852102323 1053552314 /nfs/dbraw/zinc/55/23/14/1053552314.db2.gz LJFGAWXCSMMENM-HWPZZCPQSA-N 1 1 338.238 4.496 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000852326284 1053569395 /nfs/dbraw/zinc/56/93/95/1053569395.db2.gz MJTLDUVNBJYCJT-QFIPXVFZSA-N 1 1 327.431 4.292 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000852326284 1053569400 /nfs/dbraw/zinc/56/94/00/1053569400.db2.gz MJTLDUVNBJYCJT-QFIPXVFZSA-N 1 1 327.431 4.292 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572434 /nfs/dbraw/zinc/57/24/34/1053572434.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 1 1 339.527 4.160 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572450 /nfs/dbraw/zinc/57/24/50/1053572450.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 1 1 339.527 4.160 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761729 1053611115 /nfs/dbraw/zinc/61/11/15/1053611115.db2.gz SNDIMBAJLDUBFJ-UHFFFAOYSA-N 1 1 338.838 4.363 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761729 1053611121 /nfs/dbraw/zinc/61/11/21/1053611121.db2.gz SNDIMBAJLDUBFJ-UHFFFAOYSA-N 1 1 338.838 4.363 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1O ZINC000866247411 1053662262 /nfs/dbraw/zinc/66/22/62/1053662262.db2.gz VCQMARZQXDJCIS-BDJLRTHQSA-N 1 1 328.799 4.092 20 30 EIEDMO C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866267237 1053669444 /nfs/dbraw/zinc/66/94/44/1053669444.db2.gz BVMBUFLLLLGSSW-SJORKVTESA-N 1 1 349.478 4.140 20 30 EIEDMO CCOCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196888483 1053791098 /nfs/dbraw/zinc/79/10/98/1053791098.db2.gz OCNMNQHZNPSZSH-QFIPXVFZSA-N 1 1 334.463 4.393 20 30 EIEDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776745663 1053822915 /nfs/dbraw/zinc/82/29/15/1053822915.db2.gz GRNGQMHYTTUIQW-JTQLQIEISA-N 1 1 333.750 4.110 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC001197283304 1053875447 /nfs/dbraw/zinc/87/54/47/1053875447.db2.gz AKRSXGVFTDIVAP-LJQANCHMSA-N 1 1 331.887 4.220 20 30 EIEDMO C[N@@H+](Cc1ccccc1)C1CCC(N=Nc2cccc(F)n2)CC1 ZINC000795008892 1053896140 /nfs/dbraw/zinc/89/61/40/1053896140.db2.gz RPUAMNJCUSNNLQ-UHFFFAOYSA-N 1 1 326.419 4.063 20 30 EIEDMO CN(CCc1ccc(C#N)cc1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001197423710 1053903894 /nfs/dbraw/zinc/90/38/94/1053903894.db2.gz WWOQBIFDDQDPBP-QHCPKHFHSA-N 1 1 347.506 4.087 20 30 EIEDMO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197423710 1053903904 /nfs/dbraw/zinc/90/39/04/1053903904.db2.gz WWOQBIFDDQDPBP-QHCPKHFHSA-N 1 1 347.506 4.087 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197423710 1053903918 /nfs/dbraw/zinc/90/39/18/1053903918.db2.gz WWOQBIFDDQDPBP-QHCPKHFHSA-N 1 1 347.506 4.087 20 30 EIEDMO COc1ccccc1-c1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)co1 ZINC001197681868 1053974642 /nfs/dbraw/zinc/97/46/42/1053974642.db2.gz LDUNLFAWHPOFOU-CQSZACIVSA-N 1 1 333.391 4.073 20 30 EIEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001197700978 1053975323 /nfs/dbraw/zinc/97/53/23/1053975323.db2.gz BNROCJRQDWAOAN-KRWDZBQOSA-N 1 1 346.434 4.386 20 30 EIEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001197701381 1053976018 /nfs/dbraw/zinc/97/60/18/1053976018.db2.gz HNLWGCKOUGXYDN-LBPRGKRZSA-N 1 1 329.387 4.152 20 30 EIEDMO Cc1csc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC001197864975 1054019297 /nfs/dbraw/zinc/01/92/97/1054019297.db2.gz SRYUBFPMQUJQAZ-CQSZACIVSA-N 1 1 345.899 4.431 20 30 EIEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC001197864975 1054019312 /nfs/dbraw/zinc/01/93/12/1054019312.db2.gz SRYUBFPMQUJQAZ-CQSZACIVSA-N 1 1 345.899 4.431 20 30 EIEDMO C#CCCC[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795122008 1054100485 /nfs/dbraw/zinc/10/04/85/1054100485.db2.gz MSEYOURJNHTSCL-QFIPXVFZSA-N 1 1 326.528 4.065 20 30 EIEDMO C#CCCCN1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795122008 1054100490 /nfs/dbraw/zinc/10/04/90/1054100490.db2.gz MSEYOURJNHTSCL-QFIPXVFZSA-N 1 1 326.528 4.065 20 30 EIEDMO C#CCCCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795122008 1054100492 /nfs/dbraw/zinc/10/04/92/1054100492.db2.gz MSEYOURJNHTSCL-QFIPXVFZSA-N 1 1 326.528 4.065 20 30 EIEDMO CC(C)(C)[C@@]1(C=NOC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211112 1054200831 /nfs/dbraw/zinc/20/08/31/1054200831.db2.gz ASWROQQOFOQVSZ-OAQYLSRUSA-N 1 1 344.499 4.106 20 30 EIEDMO COC(=O)c1ccccc1-c1ccc(C[N@H+](CCC#N)CC(C)C)o1 ZINC000775897779 1054285099 /nfs/dbraw/zinc/28/50/99/1054285099.db2.gz LZNBJTWROVDORQ-UHFFFAOYSA-N 1 1 340.423 4.105 20 30 EIEDMO COC(=O)c1ccccc1-c1ccc(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000775897779 1054285114 /nfs/dbraw/zinc/28/51/14/1054285114.db2.gz LZNBJTWROVDORQ-UHFFFAOYSA-N 1 1 340.423 4.105 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2cccc(O)c2F)cc(OC)c1OC ZINC000872047232 1054358042 /nfs/dbraw/zinc/35/80/42/1054358042.db2.gz QNFVSMYBXOGYDC-CYBMUJFWSA-N 1 1 345.414 4.128 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC2CCCC2)no1 ZINC000872177574 1054423709 /nfs/dbraw/zinc/42/37/09/1054423709.db2.gz KPNIJJJBGLMVRT-OAHLLOKOSA-N 1 1 347.846 4.448 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932704 1054648435 /nfs/dbraw/zinc/64/84/35/1054648435.db2.gz REBXQHBSFJUZCK-KBPBESRZSA-N 1 1 330.378 4.449 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416726 1054673781 /nfs/dbraw/zinc/67/37/81/1054673781.db2.gz UHLPAOWQQPZDRH-QGZVFWFLSA-N 1 1 342.389 4.247 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)c(Br)c1 ZINC000776155160 1054759429 /nfs/dbraw/zinc/75/94/29/1054759429.db2.gz ZJOHJJLYVCQYQV-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201487183 1054815276 /nfs/dbraw/zinc/81/52/76/1054815276.db2.gz QYERUGVQVMMPFF-CTNGQTDRSA-N 1 1 332.532 4.402 20 30 EIEDMO COc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001201474806 1054826873 /nfs/dbraw/zinc/82/68/73/1054826873.db2.gz LMMUCCYJTHEWAR-UXHICEINSA-N 1 1 345.446 4.300 20 30 EIEDMO COc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201478099 1054831190 /nfs/dbraw/zinc/83/11/90/1054831190.db2.gz VQBWMKHEOMREMU-UXHICEINSA-N 1 1 345.446 4.300 20 30 EIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1OC ZINC000125770557 1054856702 /nfs/dbraw/zinc/85/67/02/1054856702.db2.gz QIRSLUDQWVZXJR-UHFFFAOYSA-N 1 1 346.858 4.331 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1OC ZINC000125770557 1054856707 /nfs/dbraw/zinc/85/67/07/1054856707.db2.gz QIRSLUDQWVZXJR-UHFFFAOYSA-N 1 1 346.858 4.331 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001201762804 1054899426 /nfs/dbraw/zinc/89/94/26/1054899426.db2.gz WBRYBHUOJYDYEF-NRFANRHFSA-N 1 1 346.490 4.221 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001201813187 1054911511 /nfs/dbraw/zinc/91/15/11/1054911511.db2.gz BXRQEADBASAMGN-IBGZPJMESA-N 1 1 333.520 4.102 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201814406 1054911711 /nfs/dbraw/zinc/91/17/11/1054911711.db2.gz OYYTUTCZTJLAMK-IBGZPJMESA-N 1 1 333.520 4.102 20 30 EIEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001201804437 1054911986 /nfs/dbraw/zinc/91/19/86/1054911986.db2.gz JWLIPCXKZDJFOC-BGYRXZFFSA-N 1 1 328.500 4.051 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001201839623 1054932065 /nfs/dbraw/zinc/93/20/65/1054932065.db2.gz OMXVXUFVUHYUMI-FQEVSTJZSA-N 1 1 347.547 4.492 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCCCCCCCC ZINC001201847267 1054933413 /nfs/dbraw/zinc/93/34/13/1054933413.db2.gz UIIKCZHTEJKQQB-IBGZPJMESA-N 1 1 333.520 4.273 20 30 EIEDMO CCCCCCCCC[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001201840211 1054935025 /nfs/dbraw/zinc/93/50/25/1054935025.db2.gz WXISGDQONZKGDV-UHFFFAOYSA-N 1 1 346.563 4.088 20 30 EIEDMO CCCCCCCCC[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001201840211 1054935041 /nfs/dbraw/zinc/93/50/41/1054935041.db2.gz WXISGDQONZKGDV-UHFFFAOYSA-N 1 1 346.563 4.088 20 30 EIEDMO CCCCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201874800 1054940768 /nfs/dbraw/zinc/94/07/68/1054940768.db2.gz GXRBTLUHPJEALH-IBGZPJMESA-N 1 1 335.536 4.497 20 30 EIEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876749471 1054953418 /nfs/dbraw/zinc/95/34/18/1054953418.db2.gz OMMNJZQHWCHYJF-SFHVURJKSA-N 1 1 340.858 4.010 20 30 EIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876749471 1054953429 /nfs/dbraw/zinc/95/34/29/1054953429.db2.gz OMMNJZQHWCHYJF-SFHVURJKSA-N 1 1 340.858 4.010 20 30 EIEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000876793198 1054958884 /nfs/dbraw/zinc/95/88/84/1054958884.db2.gz IWHIPGZQHJLPTI-SJLPKXTDSA-N 1 1 328.481 4.224 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876807525 1054959724 /nfs/dbraw/zinc/95/97/24/1054959724.db2.gz GCMPNQJGYGWEJS-LPHOPBHVSA-N 1 1 328.481 4.224 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000877310546 1055040564 /nfs/dbraw/zinc/04/05/64/1055040564.db2.gz OFSMWLRJCAVJJM-IBGZPJMESA-N 1 1 329.444 4.159 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000877310546 1055040574 /nfs/dbraw/zinc/04/05/74/1055040574.db2.gz OFSMWLRJCAVJJM-IBGZPJMESA-N 1 1 329.444 4.159 20 30 EIEDMO COC(=O)CCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001202252191 1055096811 /nfs/dbraw/zinc/09/68/11/1055096811.db2.gz DDIQNEVIBFCOTD-QGZVFWFLSA-N 1 1 336.435 4.075 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCOCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045548 1055113473 /nfs/dbraw/zinc/11/34/73/1055113473.db2.gz UVHSTENFIIFPDQ-CJNGLKHVSA-N 1 1 326.362 4.019 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902892 1055149469 /nfs/dbraw/zinc/14/94/69/1055149469.db2.gz HVKCIQFAWDGFHB-PKTZIBPZSA-N 1 1 346.474 4.436 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000877916147 1055152798 /nfs/dbraw/zinc/15/27/98/1055152798.db2.gz YMDLOBKIUMBIOL-DHIUTWEWSA-N 1 1 346.474 4.134 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000877919774 1055153385 /nfs/dbraw/zinc/15/33/85/1055153385.db2.gz XMXYAZISPKCGIY-HXUWFJFHSA-N 1 1 338.476 4.153 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000877919774 1055153393 /nfs/dbraw/zinc/15/33/93/1055153393.db2.gz XMXYAZISPKCGIY-HXUWFJFHSA-N 1 1 338.476 4.153 20 30 EIEDMO C=CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877916367 1055153620 /nfs/dbraw/zinc/15/36/20/1055153620.db2.gz AVVDDLLKLDWLIG-QFIPXVFZSA-N 1 1 332.447 4.115 20 30 EIEDMO C=CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877916367 1055153623 /nfs/dbraw/zinc/15/36/23/1055153623.db2.gz AVVDDLLKLDWLIG-QFIPXVFZSA-N 1 1 332.447 4.115 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000877960771 1055163293 /nfs/dbraw/zinc/16/32/93/1055163293.db2.gz BOTGYPVUIOUUBN-UXHICEINSA-N 1 1 338.476 4.326 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878132358 1055191522 /nfs/dbraw/zinc/19/15/22/1055191522.db2.gz SODUMZNHWAJONE-GOTSBHOMSA-N 1 1 348.490 4.380 20 30 EIEDMO Cc1cccc(CN[NH+]=Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000794520237 1055193208 /nfs/dbraw/zinc/19/32/08/1055193208.db2.gz LTYWJGKGPOEUKT-UHFFFAOYSA-N 1 1 335.373 4.204 20 30 EIEDMO C#CCCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000878249997 1055222275 /nfs/dbraw/zinc/22/22/75/1055222275.db2.gz WOODZFZICQFTKK-INIZCTEOSA-N 1 1 325.456 4.130 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccsc3)o2)c1 ZINC000075626351 1055252806 /nfs/dbraw/zinc/25/28/06/1055252806.db2.gz RUTSOVHAUNAPNN-INIZCTEOSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccsc3)o2)c1 ZINC000075626351 1055252847 /nfs/dbraw/zinc/25/28/47/1055252847.db2.gz RUTSOVHAUNAPNN-INIZCTEOSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccsc3)o2)c1 ZINC000075626347 1055257386 /nfs/dbraw/zinc/25/73/86/1055257386.db2.gz RUTSOVHAUNAPNN-MRXNPFEDSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccsc3)o2)c1 ZINC000075626347 1055257409 /nfs/dbraw/zinc/25/74/09/1055257409.db2.gz RUTSOVHAUNAPNN-MRXNPFEDSA-N 1 1 336.420 4.007 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520014 1055332672 /nfs/dbraw/zinc/33/26/72/1055332672.db2.gz FKRDUFXQSDCBMN-CVDCTZTESA-N 1 1 348.490 4.299 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649129 1055366344 /nfs/dbraw/zinc/36/63/44/1055366344.db2.gz XKKCMJWVRQGJTD-GMAHTHKFSA-N 1 1 346.474 4.307 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000301492368 1055942013 /nfs/dbraw/zinc/94/20/13/1055942013.db2.gz IAEOJLMTFXJPEX-CHWSQXEVSA-N 1 1 343.298 4.457 20 30 EIEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000301699527 1055969461 /nfs/dbraw/zinc/96/94/61/1055969461.db2.gz DZXPYLNAQKKCDS-IRLDBZIGSA-N 1 1 331.463 4.049 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061525 1056012859 /nfs/dbraw/zinc/01/28/59/1056012859.db2.gz RHUWWILXFWBYEY-ROUUACIJSA-N 1 1 348.494 4.197 20 30 EIEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000302085577 1056014766 /nfs/dbraw/zinc/01/47/66/1056014766.db2.gz DVUHPMWHLFOFBG-OXJNMPFZSA-N 1 1 347.462 4.226 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845907 1056383885 /nfs/dbraw/zinc/38/38/85/1056383885.db2.gz HJKPPVWNMAPTOU-MRXNPFEDSA-N 1 1 338.373 4.121 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000123244534 1056417136 /nfs/dbraw/zinc/41/71/36/1056417136.db2.gz KMAMROGSBRLIBA-KRWDZBQOSA-N 1 1 335.451 4.278 20 30 EIEDMO CC[N@@H+](Cc1cc(F)cc2c1OCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477458 1056459247 /nfs/dbraw/zinc/45/92/47/1056459247.db2.gz BQPAEAUELFEZCA-AWEZNQCLSA-N 1 1 340.398 4.147 20 30 EIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1C/N=C/c1ccccc1O ZINC000741466635 1058224786 /nfs/dbraw/zinc/22/47/86/1058224786.db2.gz YWBCKIGYCMFMDY-HYARGMPZSA-N 1 1 334.419 4.236 20 30 EIEDMO CCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OCC ZINC000742381686 1058582658 /nfs/dbraw/zinc/58/26/58/1058582658.db2.gz CRBCCNIREOLMAI-UHFFFAOYSA-N 1 1 342.414 4.175 20 30 EIEDMO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)c(OC(F)F)cc1C ZINC000742381630 1058584028 /nfs/dbraw/zinc/58/40/28/1058584028.db2.gz AIFJEVGJGHLICH-UHFFFAOYSA-N 1 1 334.341 4.205 20 30 EIEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742484952 1058652776 /nfs/dbraw/zinc/65/27/76/1058652776.db2.gz RJVOWJPFFSPIJA-FQEVSTJZSA-N 1 1 330.516 4.375 20 30 EIEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743868618 1059178740 /nfs/dbraw/zinc/17/87/40/1059178740.db2.gz FBJWSMPETYBXDN-NRFANRHFSA-N 1 1 340.442 4.427 20 30 EIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869127 1059182946 /nfs/dbraw/zinc/18/29/46/1059182946.db2.gz LSCYMGCTQGEDOK-JKSUJKDBSA-N 1 1 338.904 4.348 20 30 EIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)oc2cc(C)ccc12 ZINC000744405141 1059463678 /nfs/dbraw/zinc/46/36/78/1059463678.db2.gz CLMWFDNEDDFCBJ-UHFFFAOYSA-N 1 1 326.440 4.253 20 30 EIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)oc2cc(C)ccc12 ZINC000744405141 1059463710 /nfs/dbraw/zinc/46/37/10/1059463710.db2.gz CLMWFDNEDDFCBJ-UHFFFAOYSA-N 1 1 326.440 4.253 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000746153054 1060050249 /nfs/dbraw/zinc/05/02/49/1060050249.db2.gz OVPHELOYCYWJMU-LJQANCHMSA-N 1 1 344.405 4.028 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000746156530 1060052156 /nfs/dbraw/zinc/05/21/56/1060052156.db2.gz LKSLURTTZMJNDN-HSZRJFAPSA-N 1 1 342.442 4.294 20 30 EIEDMO Cc1ccccc1C([NH2+]Cc1cc(C#N)ccn1)c1ccccc1C ZINC001169043334 1060600236 /nfs/dbraw/zinc/60/02/36/1060600236.db2.gz DZIOHAWASWEHBK-UHFFFAOYSA-N 1 1 327.431 4.449 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccsc1Br ZINC001169056177 1060610038 /nfs/dbraw/zinc/61/00/38/1060610038.db2.gz KCFHFVCQJFJNOF-UHFFFAOYSA-N 1 1 349.257 4.053 20 30 EIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)cc1OC)[C@@H]2C ZINC001169163008 1060674096 /nfs/dbraw/zinc/67/40/96/1060674096.db2.gz KSENSSZRAMHFLJ-HUUCEWRRSA-N 1 1 336.435 4.083 20 30 EIEDMO C=CC[N@H+](C[C@@H](C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293359 1060751919 /nfs/dbraw/zinc/75/19/19/1060751919.db2.gz UIDKVBPYFIEBEN-MJGOQNOKSA-N 1 1 331.500 4.331 20 30 EIEDMO C=CC[N@@H+](C[C@@H](C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293359 1060751933 /nfs/dbraw/zinc/75/19/33/1060751933.db2.gz UIDKVBPYFIEBEN-MJGOQNOKSA-N 1 1 331.500 4.331 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169629351 1060877613 /nfs/dbraw/zinc/87/76/13/1060877613.db2.gz TXQLTQOEZCTENV-ZRBLBEILSA-N 1 1 348.490 4.470 20 30 EIEDMO CC(C)(C)OC(=O)Nc1cc(NC23CCC(C#N)(CC2)CC3)cc[nH+]1 ZINC001169750505 1060929453 /nfs/dbraw/zinc/92/94/53/1060929453.db2.gz CTAWTQCKOZORMW-UHFFFAOYSA-N 1 1 342.443 4.457 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946624 1061048031 /nfs/dbraw/zinc/04/80/31/1061048031.db2.gz IIACUBZHUBMCKX-OAHLLOKOSA-N 1 1 327.472 4.141 20 30 EIEDMO C[N@H+](Cc1ccc(F)cc1Br)CC1CCC(C#N)CC1 ZINC001169953813 1061052070 /nfs/dbraw/zinc/05/20/70/1061052070.db2.gz VKOFMGLZBQRQAB-UHFFFAOYSA-N 1 1 339.252 4.350 20 30 EIEDMO C#CCCC[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000766904482 1061063003 /nfs/dbraw/zinc/06/30/03/1061063003.db2.gz GEAUGPLFVXVQLG-UHFFFAOYSA-N 1 1 343.492 4.223 20 30 EIEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000450058059 1032241459 /nfs/dbraw/zinc/24/14/59/1032241459.db2.gz GSHDICBPBJIHEE-QUCCMNQESA-N 1 1 340.511 4.292 20 30 EIEDMO C[C@@H](C#N)C[N@H+](CCOC(c1ccccc1)c1ccccc1)C1CC1 ZINC000532819263 1032340734 /nfs/dbraw/zinc/34/07/34/1032340734.db2.gz YZGZPEAAGRTLDP-SFHVURJKSA-N 1 1 334.463 4.417 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1CC1 ZINC000532819263 1032340753 /nfs/dbraw/zinc/34/07/53/1032340753.db2.gz YZGZPEAAGRTLDP-SFHVURJKSA-N 1 1 334.463 4.417 20 30 EIEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000532965738 1032415480 /nfs/dbraw/zinc/41/54/80/1032415480.db2.gz QIOLKNSKZIGGAW-NSHDSACASA-N 1 1 327.255 4.218 20 30 EIEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016338882 1032423057 /nfs/dbraw/zinc/42/30/57/1032423057.db2.gz ZHPHZVPLWLQNLB-UHFFFAOYSA-N 1 1 345.512 4.115 20 30 EIEDMO C=CCN1CCC([NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000177912980 1032513449 /nfs/dbraw/zinc/51/34/49/1032513449.db2.gz BMBQNDGYEUZZSW-OAHLLOKOSA-N 1 1 327.497 4.111 20 30 EIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000459385234 1032531266 /nfs/dbraw/zinc/53/12/66/1032531266.db2.gz WXCRMNUEFGCJPY-FQEVSTJZSA-N 1 1 335.407 4.488 20 30 EIEDMO COc1cc(C[N@@H+](C)CC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000533247703 1032564598 /nfs/dbraw/zinc/56/45/98/1032564598.db2.gz WDBQQIIECFERPK-UHFFFAOYSA-N 1 1 338.451 4.234 20 30 EIEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(C(F)(F)F)c1 ZINC000533308647 1032620286 /nfs/dbraw/zinc/62/02/86/1032620286.db2.gz OLSIBUONXNTACV-UHFFFAOYSA-N 1 1 338.304 4.015 20 30 EIEDMO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533421126 1032736826 /nfs/dbraw/zinc/73/68/26/1032736826.db2.gz GVQLOAHYTHAIIZ-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533421126 1032736853 /nfs/dbraw/zinc/73/68/53/1032736853.db2.gz GVQLOAHYTHAIIZ-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 ZINC000512428816 1032747890 /nfs/dbraw/zinc/74/78/90/1032747890.db2.gz ZPEKNQWVMLHBSR-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 ZINC000512428816 1032747901 /nfs/dbraw/zinc/74/79/01/1032747901.db2.gz ZPEKNQWVMLHBSR-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO C=CCCC[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000533437174 1032763107 /nfs/dbraw/zinc/76/31/07/1032763107.db2.gz XJCPMOBZVZCYIP-FQEVSTJZSA-N 1 1 342.508 4.242 20 30 EIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cc1Br)CC2 ZINC000577547928 1018832841 /nfs/dbraw/zinc/83/28/41/1018832841.db2.gz KQMOYRKXZDUDGO-KRWDZBQOSA-N 1 1 345.215 4.237 20 30 EIEDMO C=CCC[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000547647217 1019040464 /nfs/dbraw/zinc/04/04/64/1019040464.db2.gz XJUNJPBKEJHGBS-NRFANRHFSA-N 1 1 342.527 4.315 20 30 EIEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccco1 ZINC000236622233 1032821447 /nfs/dbraw/zinc/82/14/47/1032821447.db2.gz XIZONLFGQWNNKQ-VQIMIIECSA-N 1 1 342.439 4.074 20 30 EIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000285701984 1019440085 /nfs/dbraw/zinc/44/00/85/1019440085.db2.gz OIPIWHVOTJUUED-HNAYVOBHSA-N 1 1 344.418 4.191 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430235372 1019550907 /nfs/dbraw/zinc/55/09/07/1019550907.db2.gz DELKUOPTASSFHK-CZUORRHYSA-N 1 1 342.252 4.052 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2CCCc2cccc(C#N)c2)cc1 ZINC001208860119 1019750913 /nfs/dbraw/zinc/75/09/13/1019750913.db2.gz IBUSPRRIUZNBGE-OAQYLSRUSA-N 1 1 348.446 4.115 20 30 EIEDMO COc1cc(Cn2c[nH+]c(C)c2C)ccc1OCc1cccc(C#N)c1 ZINC000339734000 1019851365 /nfs/dbraw/zinc/85/13/65/1019851365.db2.gz ZWEZINKJYCWBGF-UHFFFAOYSA-N 1 1 347.418 4.008 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1c(C)nc2sc(C)nn21)c1ccc(F)c(F)c1 ZINC000274947601 1019872371 /nfs/dbraw/zinc/87/23/71/1019872371.db2.gz RPQNHRZOLSJEFZ-MRXNPFEDSA-N 1 1 348.422 4.093 20 30 EIEDMO C#CC[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178770 1020487343 /nfs/dbraw/zinc/48/73/43/1020487343.db2.gz KJFWRCQXNQPHEF-SZMVWBNQSA-N 1 1 337.385 4.109 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccc(C#N)cc1 ZINC000275375845 1020573136 /nfs/dbraw/zinc/57/31/36/1020573136.db2.gz WPVSTOYLSVQRDT-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO C#CC[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC001167273599 1020749063 /nfs/dbraw/zinc/74/90/63/1020749063.db2.gz MSTOQWMCQLDAEC-UHFFFAOYSA-N 1 1 334.463 4.436 20 30 EIEDMO CC[N@@H+](CCc1nc2ccccc2n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000510262508 1020765928 /nfs/dbraw/zinc/76/59/28/1020765928.db2.gz VHAAATDYWRCKRY-INIZCTEOSA-N 1 1 332.451 4.071 20 30 EIEDMO C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500797404 1032938187 /nfs/dbraw/zinc/93/81/87/1032938187.db2.gz TXQVZEYZJVYUIX-UHFFFAOYSA-N 1 1 344.842 4.219 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176947881 1020938556 /nfs/dbraw/zinc/93/85/56/1020938556.db2.gz ZYXIHLYSUMPRHO-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176947881 1020938561 /nfs/dbraw/zinc/93/85/61/1020938561.db2.gz ZYXIHLYSUMPRHO-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO CC1CC[NH+](Cc2ccccc2CNCc2ccc(C#N)s2)CC1 ZINC000176948079 1020938594 /nfs/dbraw/zinc/93/85/94/1020938594.db2.gz YHNXDMOZRNOAGL-UHFFFAOYSA-N 1 1 339.508 4.141 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000177239253 1020960921 /nfs/dbraw/zinc/96/09/21/1020960921.db2.gz PHRFMJOSYCRDRZ-LBPRGKRZSA-N 1 1 345.443 4.007 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000177239253 1020960926 /nfs/dbraw/zinc/96/09/26/1020960926.db2.gz PHRFMJOSYCRDRZ-LBPRGKRZSA-N 1 1 345.443 4.007 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1C#N ZINC000134954902 1021027282 /nfs/dbraw/zinc/02/72/82/1021027282.db2.gz JJZDETSIGZDWDX-UHFFFAOYSA-N 1 1 338.432 4.424 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1C#N ZINC000134954902 1021027291 /nfs/dbraw/zinc/02/72/91/1021027291.db2.gz JJZDETSIGZDWDX-UHFFFAOYSA-N 1 1 338.432 4.424 20 30 EIEDMO COCC[N@@H+](CCCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC001167314727 1021060317 /nfs/dbraw/zinc/06/03/17/1021060317.db2.gz PBWNFXVBGYHPRB-UHFFFAOYSA-N 1 1 342.870 4.293 20 30 EIEDMO C=CCC1(c2nc(CCCCn3c[nH+]c(C)c3C)no2)CCCC1 ZINC000656041045 1021325075 /nfs/dbraw/zinc/32/50/75/1021325075.db2.gz ZRFHKWAJZLMNIY-UHFFFAOYSA-N 1 1 328.460 4.294 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685381 1021442187 /nfs/dbraw/zinc/44/21/87/1021442187.db2.gz IAYKDBICOQCFAU-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685381 1021442202 /nfs/dbraw/zinc/44/22/02/1021442202.db2.gz IAYKDBICOQCFAU-MRXNPFEDSA-N 1 1 339.508 4.284 20 30 EIEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610369584 1021548335 /nfs/dbraw/zinc/54/83/35/1021548335.db2.gz IEPCTWJKELTJIZ-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610369584 1021548361 /nfs/dbraw/zinc/54/83/61/1021548361.db2.gz IEPCTWJKELTJIZ-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121153217 1021556389 /nfs/dbraw/zinc/55/63/89/1021556389.db2.gz MHKNRWRKOUEUDY-UHFFFAOYSA-N 1 1 326.227 4.441 20 30 EIEDMO N#Cc1cc(Cl)cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC001167353014 1021643760 /nfs/dbraw/zinc/64/37/60/1021643760.db2.gz BMKRSDCVBWMYLW-UHFFFAOYSA-N 1 1 326.827 4.329 20 30 EIEDMO C=CCN1CCC([NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414080122 1021815455 /nfs/dbraw/zinc/81/54/55/1021815455.db2.gz CSGUNJQQRHCPDT-HNNXBMFYSA-N 1 1 327.497 4.111 20 30 EIEDMO N#Cc1cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)ccc1F ZINC000581641955 1021861609 /nfs/dbraw/zinc/86/16/09/1021861609.db2.gz QCLFXGRYDOSBDW-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(C)c(F)c(C)c1)CCO2 ZINC001143379963 1021879617 /nfs/dbraw/zinc/87/96/17/1021879617.db2.gz XFYSNOHNXSJVMU-PZJWPPBQSA-N 1 1 347.474 4.016 20 30 EIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(C)c(F)c(C)c1)CCO2 ZINC001143379963 1021879621 /nfs/dbraw/zinc/87/96/21/1021879621.db2.gz XFYSNOHNXSJVMU-PZJWPPBQSA-N 1 1 347.474 4.016 20 30 EIEDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000414146687 1021962254 /nfs/dbraw/zinc/96/22/54/1021962254.db2.gz QQTOXSPRUACXEB-HIFRSBDPSA-N 1 1 343.452 4.015 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccc(Cl)cc3)n2c1 ZINC000180148398 1022006974 /nfs/dbraw/zinc/00/69/74/1022006974.db2.gz DNTFAILRDUCEEY-GOSISDBHSA-N 1 1 336.826 4.196 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3ccc(Cl)cc3)n2c1 ZINC000180148398 1022006988 /nfs/dbraw/zinc/00/69/88/1022006988.db2.gz DNTFAILRDUCEEY-GOSISDBHSA-N 1 1 336.826 4.196 20 30 EIEDMO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613428931 1022007926 /nfs/dbraw/zinc/00/79/26/1022007926.db2.gz AUZGFQBSCSLLCB-DOTOQJQBSA-N 1 1 340.515 4.316 20 30 EIEDMO C#CC[N@@H+](CC1=CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420625 1022240420 /nfs/dbraw/zinc/24/04/20/1022240420.db2.gz HLSCNWGFFUKDJC-QGZVFWFLSA-N 1 1 346.268 4.318 20 30 EIEDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1C ZINC000341297123 1022378566 /nfs/dbraw/zinc/37/85/66/1022378566.db2.gz YIGZOMFCXFWNOO-MRXNPFEDSA-N 1 1 330.435 4.118 20 30 EIEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954082 1022618049 /nfs/dbraw/zinc/61/80/49/1022618049.db2.gz POQOEVIMKKWVMC-RDJZCZTQSA-N 1 1 330.497 4.438 20 30 EIEDMO N#Cc1cccc(OCCC[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180460918 1022678319 /nfs/dbraw/zinc/67/83/19/1022678319.db2.gz LDHDKTKWKCMDMY-UHFFFAOYSA-N 1 1 347.418 4.018 20 30 EIEDMO N#Cc1cccc(OCCC[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180460918 1022678329 /nfs/dbraw/zinc/67/83/29/1022678329.db2.gz LDHDKTKWKCMDMY-UHFFFAOYSA-N 1 1 347.418 4.018 20 30 EIEDMO C[N@H+](CCCC#N)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375794 1022781247 /nfs/dbraw/zinc/78/12/47/1022781247.db2.gz SZQSJLIUUXRQNP-UHFFFAOYSA-N 1 1 328.435 4.164 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(C(F)(F)F)c1 ZINC001143479087 1022880688 /nfs/dbraw/zinc/88/06/88/1022880688.db2.gz FCUYHXMMXJZHLZ-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(C(F)(F)F)c1 ZINC001143479087 1022880698 /nfs/dbraw/zinc/88/06/98/1022880698.db2.gz FCUYHXMMXJZHLZ-UHFFFAOYSA-N 1 1 326.362 4.372 20 30 EIEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832957 1022894639 /nfs/dbraw/zinc/89/46/39/1022894639.db2.gz LSQNHHONNQFJCB-GOSISDBHSA-N 1 1 348.918 4.413 20 30 EIEDMO CC[C@@](C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000177267691 1022895041 /nfs/dbraw/zinc/89/50/41/1022895041.db2.gz BZPZNEAJHGYWBK-MRXNPFEDSA-N 1 1 338.398 4.428 20 30 EIEDMO C=C(C)C[N@H+](CCCCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000512542929 1033106858 /nfs/dbraw/zinc/10/68/58/1033106858.db2.gz XCVOTIDZENODGI-UHFFFAOYSA-N 1 1 333.520 4.439 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000368592164 1023191319 /nfs/dbraw/zinc/19/13/19/1023191319.db2.gz KCFRKTQQHAMAJN-HXUWFJFHSA-N 1 1 349.519 4.039 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(OC)c(C#N)c1)CCC2 ZINC000135213007 1023205040 /nfs/dbraw/zinc/20/50/40/1023205040.db2.gz IXGRFFSQUDHQFD-INIZCTEOSA-N 1 1 341.480 4.095 20 30 EIEDMO C#Cc1cccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000376643831 1023247986 /nfs/dbraw/zinc/24/79/86/1023247986.db2.gz OOMXMTSTXXBQPP-GOSISDBHSA-N 1 1 347.462 4.113 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167464458 1023249415 /nfs/dbraw/zinc/24/94/15/1023249415.db2.gz MFKMTNLLPMKPGP-PBASOCQRSA-N 1 1 326.484 4.353 20 30 EIEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167464458 1023249421 /nfs/dbraw/zinc/24/94/21/1023249421.db2.gz MFKMTNLLPMKPGP-PBASOCQRSA-N 1 1 326.484 4.353 20 30 EIEDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000187420517 1023380794 /nfs/dbraw/zinc/38/07/94/1023380794.db2.gz XDCAAEAHWZEMJD-KRWDZBQOSA-N 1 1 342.826 4.224 20 30 EIEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000511638819 1023382104 /nfs/dbraw/zinc/38/21/04/1023382104.db2.gz CGDMRUVMFWVJDF-PXVQWCDCSA-N 1 1 344.458 4.080 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000276373704 1023396993 /nfs/dbraw/zinc/39/69/93/1023396993.db2.gz DNYFPVAJPYVMAZ-RBUKOAKNSA-N 1 1 341.499 4.287 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccccc1C(=O)N(C)C ZINC000417689339 1023406104 /nfs/dbraw/zinc/40/61/04/1023406104.db2.gz YTDIFXRTLTXOSI-UHFFFAOYSA-N 1 1 348.899 4.292 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1C(=O)N(C)C ZINC000417689339 1023406107 /nfs/dbraw/zinc/40/61/07/1023406107.db2.gz YTDIFXRTLTXOSI-UHFFFAOYSA-N 1 1 348.899 4.292 20 30 EIEDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)cc1C ZINC001167475229 1023463033 /nfs/dbraw/zinc/46/30/33/1023463033.db2.gz XSPYRNICSVGMGY-UHFFFAOYSA-N 1 1 347.462 4.168 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132726 1023468939 /nfs/dbraw/zinc/46/89/39/1023468939.db2.gz OEWIEAYMBBLSJE-TZIWHRDSSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377395145 1023511046 /nfs/dbraw/zinc/51/10/46/1023511046.db2.gz ATVYARGZMZNLSR-SJORKVTESA-N 1 1 346.434 4.014 20 30 EIEDMO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418153995 1023570263 /nfs/dbraw/zinc/57/02/63/1023570263.db2.gz ZJPPSOHFYCFUHT-MRXNPFEDSA-N 1 1 325.481 4.479 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000754741231 1023575209 /nfs/dbraw/zinc/57/52/09/1023575209.db2.gz ZAEQMVYWZKQCMJ-UHFFFAOYSA-N 1 1 343.389 4.294 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nnc(-c3cccc(F)c3)s2)cc1 ZINC000377643803 1023649822 /nfs/dbraw/zinc/64/98/22/1023649822.db2.gz GSLUKNZECKYOTI-ZDUSSCGKSA-N 1 1 337.423 4.176 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000066796065 1023680518 /nfs/dbraw/zinc/68/05/18/1023680518.db2.gz WSAXEVGYMVPTJQ-GOSISDBHSA-N 1 1 342.512 4.136 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000066796065 1023680524 /nfs/dbraw/zinc/68/05/24/1023680524.db2.gz WSAXEVGYMVPTJQ-GOSISDBHSA-N 1 1 342.512 4.136 20 30 EIEDMO COc1cc(F)c(F)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001143400003 1023792838 /nfs/dbraw/zinc/79/28/38/1023792838.db2.gz IXZFFJKMSQUSRY-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000341578578 1023884108 /nfs/dbraw/zinc/88/41/08/1023884108.db2.gz PBTGXOYNGPEJIR-OAHLLOKOSA-N 1 1 348.537 4.153 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000341578578 1023884111 /nfs/dbraw/zinc/88/41/11/1023884111.db2.gz PBTGXOYNGPEJIR-OAHLLOKOSA-N 1 1 348.537 4.153 20 30 EIEDMO CCc1nc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000111406929 1023896411 /nfs/dbraw/zinc/89/64/11/1023896411.db2.gz KXEDTZCJFRFRMA-AWEZNQCLSA-N 1 1 329.469 4.239 20 30 EIEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685419 1024229337 /nfs/dbraw/zinc/22/93/37/1024229337.db2.gz SSIMLWRAOZMDAB-YADHBBJMSA-N 1 1 334.463 4.351 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000510791746 1024489918 /nfs/dbraw/zinc/48/99/18/1024489918.db2.gz VYUJYKHFLXMXNA-KRWDZBQOSA-N 1 1 349.478 4.281 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000388555297 1024620583 /nfs/dbraw/zinc/62/05/83/1024620583.db2.gz YWTGPUJEPHBQOG-UHFFFAOYSA-N 1 1 338.270 4.365 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000093872127 1024897584 /nfs/dbraw/zinc/89/75/84/1024897584.db2.gz WDDLSTRAIDVKAO-UXHICEINSA-N 1 1 348.446 4.120 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000093872127 1024897585 /nfs/dbraw/zinc/89/75/85/1024897585.db2.gz WDDLSTRAIDVKAO-UXHICEINSA-N 1 1 348.446 4.120 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000531452162 1024991615 /nfs/dbraw/zinc/99/16/15/1024991615.db2.gz BKOHJPGGWAJRFU-UHFFFAOYSA-N 1 1 333.545 4.321 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187689110 1025095884 /nfs/dbraw/zinc/09/58/84/1025095884.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187689110 1025095892 /nfs/dbraw/zinc/09/58/92/1025095892.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689110 1025095898 /nfs/dbraw/zinc/09/58/98/1025095898.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187689110 1025095907 /nfs/dbraw/zinc/09/59/07/1025095907.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 1 1 333.479 4.073 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000535871833 1025175866 /nfs/dbraw/zinc/17/58/66/1025175866.db2.gz UQCZEJJOTVDJNR-JOCHJYFZSA-N 1 1 346.474 4.474 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C#N ZINC000610993028 1025226911 /nfs/dbraw/zinc/22/69/11/1025226911.db2.gz BEUFYOGQERIEEU-GOSISDBHSA-N 1 1 345.446 4.428 20 30 EIEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000610993864 1025229797 /nfs/dbraw/zinc/22/97/97/1025229797.db2.gz LDRGETRTIYCRMZ-HXUWFJFHSA-N 1 1 325.431 4.182 20 30 EIEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499102 1025334282 /nfs/dbraw/zinc/33/42/82/1025334282.db2.gz BVUJKNUJEKODGR-AVRDEDQJSA-N 1 1 334.463 4.453 20 30 EIEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(Cl)ccc1Cl ZINC000585766866 1025828894 /nfs/dbraw/zinc/82/88/94/1025828894.db2.gz LZXGFPUFDUJEMZ-LLVKDONJSA-N 1 1 345.233 4.364 20 30 EIEDMO N#C[C@H]1CC[C@H](Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)CC1 ZINC001167841268 1025877828 /nfs/dbraw/zinc/87/78/28/1025877828.db2.gz RGPZMBXJPYNYAA-KOMQPUFPSA-N 1 1 335.411 4.220 20 30 EIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC=CCC1 ZINC000344071211 1025961126 /nfs/dbraw/zinc/96/11/26/1025961126.db2.gz RSFUZLNOEUEQPI-QGZVFWFLSA-N 1 1 335.451 4.026 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C(C)C)c(C)s2)cc1OC ZINC000344165845 1026081654 /nfs/dbraw/zinc/08/16/54/1026081654.db2.gz BWAAMVRDSFPKMC-UHFFFAOYSA-N 1 1 346.496 4.438 20 30 EIEDMO N#Cc1cccc(Cl)c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279114940 1026096423 /nfs/dbraw/zinc/09/64/23/1026096423.db2.gz PMWKESKJIMZAKB-UHFFFAOYSA-N 1 1 340.858 4.128 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C ZINC000512154747 1026164405 /nfs/dbraw/zinc/16/44/05/1026164405.db2.gz OZSGYLRAOCENLY-CVEARBPZSA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC(C)C)cc1 ZINC000512167884 1026200813 /nfs/dbraw/zinc/20/08/13/1026200813.db2.gz RTHIDGKPYYDADM-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000344305405 1026235027 /nfs/dbraw/zinc/23/50/27/1026235027.db2.gz XMNNVWUYBAEPRZ-ZIAGYGMSSA-N 1 1 334.448 4.489 20 30 EIEDMO C=C(C)C[N@@H+](CCSc1ccccc1F)Cc1ccc(CO)o1 ZINC000512179057 1026248275 /nfs/dbraw/zinc/24/82/75/1026248275.db2.gz LEEDZWYQZRCWBH-UHFFFAOYSA-N 1 1 335.444 4.081 20 30 EIEDMO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388672 /nfs/dbraw/zinc/38/86/72/1026388672.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 1 1 345.490 4.143 20 30 EIEDMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388688 /nfs/dbraw/zinc/38/86/88/1026388688.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 1 1 345.490 4.143 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279493035 1026450589 /nfs/dbraw/zinc/45/05/89/1026450589.db2.gz YDIHSUOXXMTRCU-UHFFFAOYSA-N 1 1 337.471 4.037 20 30 EIEDMO C=CCCn1cc(CNc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)nn1 ZINC000657412047 1026557946 /nfs/dbraw/zinc/55/79/46/1026557946.db2.gz ZLDYSJQOBIUIBC-KRWDZBQOSA-N 1 1 339.487 4.154 20 30 EIEDMO C=CCCn1cc(CNc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)nn1 ZINC000657412047 1026557955 /nfs/dbraw/zinc/55/79/55/1026557955.db2.gz ZLDYSJQOBIUIBC-KRWDZBQOSA-N 1 1 339.487 4.154 20 30 EIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002188 1026675955 /nfs/dbraw/zinc/67/59/55/1026675955.db2.gz NJPXRSPYLTWJRB-DGCLKSJQSA-N 1 1 333.501 4.074 20 30 EIEDMO COc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1OC1CCCC1 ZINC000112529004 1026676270 /nfs/dbraw/zinc/67/62/70/1026676270.db2.gz AFEHDXKZXZADHG-JKSUJKDBSA-N 1 1 341.455 4.111 20 30 EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C1 ZINC000158348416 1026678568 /nfs/dbraw/zinc/67/85/68/1026678568.db2.gz UMODEULDZDCUFT-UHFFFAOYSA-N 1 1 347.462 4.101 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2csc(N(C(C)=O)C3CC3)n2)CCCC1(C)C ZINC000277693539 1026803309 /nfs/dbraw/zinc/80/33/09/1026803309.db2.gz HGKVSWMTPVDOJD-KRWDZBQOSA-N 1 1 347.528 4.225 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2csc(N(C(C)=O)C3CC3)n2)CCCC1(C)C ZINC000277693539 1026803311 /nfs/dbraw/zinc/80/33/11/1026803311.db2.gz HGKVSWMTPVDOJD-KRWDZBQOSA-N 1 1 347.528 4.225 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000277715909 1026829096 /nfs/dbraw/zinc/82/90/96/1026829096.db2.gz MZQSFGYRPIHBHA-GOSISDBHSA-N 1 1 330.472 4.093 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727032 1026841977 /nfs/dbraw/zinc/84/19/77/1026841977.db2.gz GRDSOFZXFLKMJT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727032 1026841984 /nfs/dbraw/zinc/84/19/84/1026841984.db2.gz GRDSOFZXFLKMJT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277727032 1026841985 /nfs/dbraw/zinc/84/19/85/1026841985.db2.gz GRDSOFZXFLKMJT-WFASDCNBSA-N 1 1 348.372 4.241 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000479580364 1026844793 /nfs/dbraw/zinc/84/47/93/1026844793.db2.gz QIFGXQAKBGAXKO-UHFFFAOYSA-N 1 1 344.462 4.402 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)c(F)c1 ZINC000440624242 1026987782 /nfs/dbraw/zinc/98/77/82/1026987782.db2.gz YJWWTBXFPKFOTI-LJQANCHMSA-N 1 1 328.362 4.252 20 30 EIEDMO C=C(C)COc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000060947661 1026991672 /nfs/dbraw/zinc/99/16/72/1026991672.db2.gz MPFJIAKBJCZLSU-MSOLQXFVSA-N 1 1 346.515 4.003 20 30 EIEDMO C=C(C)COc1cc(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000060947661 1026991679 /nfs/dbraw/zinc/99/16/79/1026991679.db2.gz MPFJIAKBJCZLSU-MSOLQXFVSA-N 1 1 346.515 4.003 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1F ZINC000520173615 1027278503 /nfs/dbraw/zinc/27/85/03/1027278503.db2.gz RYEKTTIWLZYTHD-UHFFFAOYSA-N 1 1 326.415 4.364 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000441342864 1027479261 /nfs/dbraw/zinc/47/92/61/1027479261.db2.gz FFBUDNTYMOGJPB-MRXNPFEDSA-N 1 1 339.870 4.090 20 30 EIEDMO COc1cc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)ccc1C#N ZINC000441368839 1027492227 /nfs/dbraw/zinc/49/22/27/1027492227.db2.gz BSQRPHUTFYPAKT-UHFFFAOYSA-N 1 1 336.366 4.256 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000329186730 1027635583 /nfs/dbraw/zinc/63/55/83/1027635583.db2.gz PWJGIGSRLAQJLO-AHRSYUTCSA-N 1 1 339.483 4.183 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1F ZINC000550391980 1027743579 /nfs/dbraw/zinc/74/35/79/1027743579.db2.gz XJGXDNOAEPLWKV-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1F ZINC000550391980 1027743610 /nfs/dbraw/zinc/74/36/10/1027743610.db2.gz XJGXDNOAEPLWKV-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000329371616 1027753598 /nfs/dbraw/zinc/75/35/98/1027753598.db2.gz JASHPXPYIYHUQN-VQIMIIECSA-N 1 1 338.455 4.275 20 30 EIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000282011460 1027760064 /nfs/dbraw/zinc/76/00/64/1027760064.db2.gz OMPGWDGXCYWOAR-SFHVURJKSA-N 1 1 344.499 4.049 20 30 EIEDMO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328619032 1027782361 /nfs/dbraw/zinc/78/23/61/1027782361.db2.gz VPEOAALKULWGMK-VYDXJSESSA-N 1 1 335.492 4.082 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328685453 1027794328 /nfs/dbraw/zinc/79/43/28/1027794328.db2.gz FPYRZWTVWWCJIM-DLBZAZTESA-N 1 1 340.471 4.320 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328685453 1027794343 /nfs/dbraw/zinc/79/43/43/1027794343.db2.gz FPYRZWTVWWCJIM-DLBZAZTESA-N 1 1 340.471 4.320 20 30 EIEDMO CC(C)n1ncc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc21 ZINC000329463181 1027799161 /nfs/dbraw/zinc/79/91/61/1027799161.db2.gz UFWUVQRRTUDCIP-QGZVFWFLSA-N 1 1 328.460 4.470 20 30 EIEDMO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000328764350 1027805841 /nfs/dbraw/zinc/80/58/41/1027805841.db2.gz OSJNMCYUMNILHO-UHFFFAOYSA-N 1 1 345.468 4.042 20 30 EIEDMO C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)[C@H]1c1ccccc1 ZINC000328766140 1027805988 /nfs/dbraw/zinc/80/59/88/1027805988.db2.gz PKDBXFNDESBCHQ-FUHWJXTLSA-N 1 1 339.439 4.082 20 30 EIEDMO C=CCc1cc(C[NH2+]C2(c3nccs3)CCCC2)cc(OC)c1O ZINC000116374273 1027845169 /nfs/dbraw/zinc/84/51/69/1027845169.db2.gz WPSOYIUJYKCVTD-UHFFFAOYSA-N 1 1 344.480 4.145 20 30 EIEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000091537156 1027848079 /nfs/dbraw/zinc/84/80/79/1027848079.db2.gz JXJMTWCLMGTURU-ZDUSSCGKSA-N 1 1 339.277 4.064 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)ccc1F ZINC000468278061 1027867166 /nfs/dbraw/zinc/86/71/66/1027867166.db2.gz POZOCDFOUSWLOZ-INIZCTEOSA-N 1 1 326.440 4.312 20 30 EIEDMO Cc1csc(C2([NH2+][C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CCC2)n1 ZINC000329597983 1027871755 /nfs/dbraw/zinc/87/17/55/1027871755.db2.gz JECDXHCRTOIQOL-NWANDNLSSA-N 1 1 335.517 4.344 20 30 EIEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000467123008 1027931727 /nfs/dbraw/zinc/93/17/27/1027931727.db2.gz UHEXUVHDXYNDCH-IBGZPJMESA-N 1 1 334.463 4.474 20 30 EIEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000444684390 1027940771 /nfs/dbraw/zinc/94/07/71/1027940771.db2.gz MEZKKIVOTRMZTM-HXUWFJFHSA-N 1 1 327.516 4.303 20 30 EIEDMO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000444684325 1027964700 /nfs/dbraw/zinc/96/47/00/1027964700.db2.gz JIBSAJBBHWUEPY-HNNXBMFYSA-N 1 1 326.444 4.031 20 30 EIEDMO C[N@@H+](CC[C@@H]1CCCO1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444688333 1027975557 /nfs/dbraw/zinc/97/55/57/1027975557.db2.gz JDUNUOPVBHEXCZ-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO FC(F)(F)C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000444700254 1027987023 /nfs/dbraw/zinc/98/70/23/1027987023.db2.gz FZWAGBWVIDYFAL-CYBMUJFWSA-N 1 1 335.291 4.331 20 30 EIEDMO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)CCCCC1 ZINC000329706792 1028048845 /nfs/dbraw/zinc/04/88/45/1028048845.db2.gz KENNWKDYORUSEA-GOSISDBHSA-N 1 1 325.456 4.397 20 30 EIEDMO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CCCCC1 ZINC000329706792 1028048866 /nfs/dbraw/zinc/04/88/66/1028048866.db2.gz KENNWKDYORUSEA-GOSISDBHSA-N 1 1 325.456 4.397 20 30 EIEDMO C=CC[C@H]1[N@H+](CCC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000444774600 1028056706 /nfs/dbraw/zinc/05/67/06/1028056706.db2.gz JRJSDTDYVGRSSJ-OAHLLOKOSA-N 1 1 331.485 4.015 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2noc(Cc3ccccc3)n2)CCCC1(C)C ZINC000444776064 1028058921 /nfs/dbraw/zinc/05/89/21/1028058921.db2.gz AVQNEFDEVSQCRS-KRWDZBQOSA-N 1 1 325.456 4.227 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2noc(Cc3ccccc3)n2)CCCC1(C)C ZINC000444776064 1028058951 /nfs/dbraw/zinc/05/89/51/1028058951.db2.gz AVQNEFDEVSQCRS-KRWDZBQOSA-N 1 1 325.456 4.227 20 30 EIEDMO C=CC[C@H]1[N@H+](CCC(=O)N2CCc3sccc3C2)CCCC1(C)C ZINC000444786792 1028075620 /nfs/dbraw/zinc/07/56/20/1028075620.db2.gz VUWCGMNFBNGNAP-GOSISDBHSA-N 1 1 346.540 4.090 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001167656218 1028103470 /nfs/dbraw/zinc/10/34/70/1028103470.db2.gz HIDIDTSWIAYIPU-MRXNPFEDSA-N 1 1 339.870 4.090 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1OC)CCC2 ZINC000121503385 1028146371 /nfs/dbraw/zinc/14/63/71/1028146371.db2.gz YKWJNDTWMITEPK-INIZCTEOSA-N 1 1 341.480 4.095 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1OC)CCC2 ZINC000121503385 1028146380 /nfs/dbraw/zinc/14/63/80/1028146380.db2.gz YKWJNDTWMITEPK-INIZCTEOSA-N 1 1 341.480 4.095 20 30 EIEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000583175600 1028183448 /nfs/dbraw/zinc/18/34/48/1028183448.db2.gz VGOWWTSHZDSZDD-UHFFFAOYSA-N 1 1 328.403 4.295 20 30 EIEDMO C[N@@H+](CCNC(=O)[C@@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000330013674 1028183477 /nfs/dbraw/zinc/18/34/77/1028183477.db2.gz MJIZMITWICKSRI-GOSISDBHSA-N 1 1 330.472 4.033 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccc(F)c(F)c1 ZINC000187780485 1028209100 /nfs/dbraw/zinc/20/91/00/1028209100.db2.gz KOTKLOGQXALRMA-GOSISDBHSA-N 1 1 331.362 4.158 20 30 EIEDMO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330274287 1028245224 /nfs/dbraw/zinc/24/52/24/1028245224.db2.gz JVTPNDDOEDLZGE-OAHLLOKOSA-N 1 1 330.428 4.191 20 30 EIEDMO CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330274287 1028245249 /nfs/dbraw/zinc/24/52/49/1028245249.db2.gz JVTPNDDOEDLZGE-OAHLLOKOSA-N 1 1 330.428 4.191 20 30 EIEDMO Cc1[nH+]ccn1CCN(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000346270253 1028357349 /nfs/dbraw/zinc/35/73/49/1028357349.db2.gz CTUHXGFMRADXEE-UHFFFAOYSA-N 1 1 348.425 4.218 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCn2ccnc2C)C(C)(C)C)cc1 ZINC000346303948 1028375636 /nfs/dbraw/zinc/37/56/36/1028375636.db2.gz GNJZKEFTYQABBU-UHFFFAOYSA-N 1 1 327.472 4.057 20 30 EIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281138790 1028407595 /nfs/dbraw/zinc/40/75/95/1028407595.db2.gz ALPLUVQMKJUJFO-HXUWFJFHSA-N 1 1 326.484 4.141 20 30 EIEDMO N#CCC[N@@H+](Cc1ccc(Br)c(Cl)c1)CC1CC1 ZINC000346434244 1028427386 /nfs/dbraw/zinc/42/73/86/1028427386.db2.gz OIZFWJPTUVJVEN-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(Br)c(Cl)c1)CC1CC1 ZINC000346434244 1028427403 /nfs/dbraw/zinc/42/74/03/1028427403.db2.gz OIZFWJPTUVJVEN-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Oc1ccccc1 ZINC000428405170 1028641536 /nfs/dbraw/zinc/64/15/36/1028641536.db2.gz DGQSKQWHFJQSEK-RTBURBONSA-N 1 1 333.435 4.389 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000443982939 1028685821 /nfs/dbraw/zinc/68/58/21/1028685821.db2.gz BUVAILHHPLFDBL-ZDUSSCGKSA-N 1 1 325.359 4.297 20 30 EIEDMO CC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000522712512 1028717867 /nfs/dbraw/zinc/71/78/67/1028717867.db2.gz UMFQEVBRRAWKQJ-IBGZPJMESA-N 1 1 341.499 4.062 20 30 EIEDMO N#CCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000346844918 1028785136 /nfs/dbraw/zinc/78/51/36/1028785136.db2.gz YVWYRGYTLOZEFR-LJQANCHMSA-N 1 1 342.826 4.094 20 30 EIEDMO C[N@H+](CC1(C#N)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000343312870 1028902333 /nfs/dbraw/zinc/90/23/33/1028902333.db2.gz DQKKWOHXDREDLG-ZDUSSCGKSA-N 1 1 337.286 4.222 20 30 EIEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000343312870 1028902345 /nfs/dbraw/zinc/90/23/45/1028902345.db2.gz DQKKWOHXDREDLG-ZDUSSCGKSA-N 1 1 337.286 4.222 20 30 EIEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccc(F)c1 ZINC000281921460 1028961408 /nfs/dbraw/zinc/96/14/08/1028961408.db2.gz HGCXPCZUSNKRRF-QFBILLFUSA-N 1 1 330.447 4.309 20 30 EIEDMO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000343434127 1029241518 /nfs/dbraw/zinc/24/15/18/1029241518.db2.gz KDRXSSBMZVZRCJ-INIZCTEOSA-N 1 1 334.467 4.106 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000248025972 1029475605 /nfs/dbraw/zinc/47/56/05/1029475605.db2.gz WGCZGIXENLQBIC-UHFFFAOYSA-N 1 1 335.856 4.361 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000248025972 1029475611 /nfs/dbraw/zinc/47/56/11/1029475611.db2.gz WGCZGIXENLQBIC-UHFFFAOYSA-N 1 1 335.856 4.361 20 30 EIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000343583036 1029539173 /nfs/dbraw/zinc/53/91/73/1029539173.db2.gz RJQQNFILRDBPPJ-CQSZACIVSA-N 1 1 337.398 4.032 20 30 EIEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCc2ccccc21 ZINC000525270910 1029542095 /nfs/dbraw/zinc/54/20/95/1029542095.db2.gz KUDWSQTVJMGDLA-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCc2ccccc21 ZINC000525270910 1029542100 /nfs/dbraw/zinc/54/21/00/1029542100.db2.gz KUDWSQTVJMGDLA-IBGZPJMESA-N 1 1 344.418 4.118 20 30 EIEDMO Cc1nsc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000585702200 1029577190 /nfs/dbraw/zinc/57/71/90/1029577190.db2.gz PVWUYGHUIAXRBI-UHFFFAOYSA-N 1 1 346.887 4.053 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000441158018 1029647317 /nfs/dbraw/zinc/64/73/17/1029647317.db2.gz OTNMCEIPGLHFPE-UHFFFAOYSA-N 1 1 349.478 4.069 20 30 EIEDMO COc1cc([C@H](C)[NH2+]Cc2ccccc2C#N)ccc1OCC(C)C ZINC000179059154 1029649782 /nfs/dbraw/zinc/64/97/82/1029649782.db2.gz ZCLADPJPJGCEBB-INIZCTEOSA-N 1 1 338.451 4.452 20 30 EIEDMO Cc1ccc(F)c(C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000446976095 1029655746 /nfs/dbraw/zinc/65/57/46/1029655746.db2.gz FSWVKWRTHXTBKM-UHFFFAOYSA-N 1 1 326.415 4.449 20 30 EIEDMO Cc1ccc(F)c(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000446976095 1029655752 /nfs/dbraw/zinc/65/57/52/1029655752.db2.gz FSWVKWRTHXTBKM-UHFFFAOYSA-N 1 1 326.415 4.449 20 30 EIEDMO COCCCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428469048 1029698908 /nfs/dbraw/zinc/69/89/08/1029698908.db2.gz RNYILJWMARPMID-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428469048 1029698914 /nfs/dbraw/zinc/69/89/14/1029698914.db2.gz RNYILJWMARPMID-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640853 1029721020 /nfs/dbraw/zinc/72/10/20/1029721020.db2.gz FIGDLTJFEBYVJZ-RTBURBONSA-N 1 1 330.447 4.257 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000343734539 1029727655 /nfs/dbraw/zinc/72/76/55/1029727655.db2.gz KPVULBZPASNXKU-HOTGVXAUSA-N 1 1 340.471 4.286 20 30 EIEDMO Cc1c([C@H](C)[NH2+]Cc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000179076416 1029732747 /nfs/dbraw/zinc/73/27/47/1029732747.db2.gz WKMQKLJWJYUSDM-AWEZNQCLSA-N 1 1 334.398 4.042 20 30 EIEDMO CC(C)[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000441284049 1030116748 /nfs/dbraw/zinc/11/67/48/1030116748.db2.gz WOMXBVLDVYHEEY-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO CC(C)[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000441284049 1030116772 /nfs/dbraw/zinc/11/67/72/1030116772.db2.gz WOMXBVLDVYHEEY-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO CC[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530809 1030123543 /nfs/dbraw/zinc/12/35/43/1030123543.db2.gz NSOGMKMHTPVQNZ-FCHUYYIVSA-N 1 1 333.479 4.436 20 30 EIEDMO Cn1cc(C[NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)cc1C#N ZINC000190867565 1030163546 /nfs/dbraw/zinc/16/35/46/1030163546.db2.gz ACFBSRPLTHTDFJ-GOSISDBHSA-N 1 1 341.867 4.491 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480549276 1030184617 /nfs/dbraw/zinc/18/46/17/1030184617.db2.gz HQQCSHBJHXQDEN-OAHLLOKOSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480549276 1030184627 /nfs/dbraw/zinc/18/46/27/1030184627.db2.gz HQQCSHBJHXQDEN-OAHLLOKOSA-N 1 1 326.827 4.210 20 30 EIEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000451286204 1030371513 /nfs/dbraw/zinc/37/15/13/1030371513.db2.gz CMKJCIDOICSDPY-LJQANCHMSA-N 1 1 345.512 4.141 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000302876805 1030422078 /nfs/dbraw/zinc/42/20/78/1030422078.db2.gz PEWJYQXSLIQFQM-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000302876805 1030422091 /nfs/dbraw/zinc/42/20/91/1030422091.db2.gz PEWJYQXSLIQFQM-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000611942226 1030427626 /nfs/dbraw/zinc/42/76/26/1030427626.db2.gz ZPXIKKVDSBAZQX-LBPRGKRZSA-N 1 1 344.256 4.129 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000480599004 1030497515 /nfs/dbraw/zinc/49/75/15/1030497515.db2.gz CMSKNQKKQGOEKH-HXUWFJFHSA-N 1 1 340.854 4.045 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000024959725 1030586883 /nfs/dbraw/zinc/58/68/83/1030586883.db2.gz MEYVHGGVTQYAGP-HXUWFJFHSA-N 1 1 342.508 4.160 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668526 1030625556 /nfs/dbraw/zinc/62/55/56/1030625556.db2.gz HCRXXGPVPNPFSU-KRWDZBQOSA-N 1 1 347.462 4.114 20 30 EIEDMO COCC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000451691348 1030660477 /nfs/dbraw/zinc/66/04/77/1030660477.db2.gz QPGUXMJKUUYSHV-HNNXBMFYSA-N 1 1 326.362 4.066 20 30 EIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3sccc3C#N)c2C1 ZINC000102733165 1030751182 /nfs/dbraw/zinc/75/11/82/1030751182.db2.gz VADCZOYZPVAHCR-UHFFFAOYSA-N 1 1 339.464 4.234 20 30 EIEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000925240631 1030827171 /nfs/dbraw/zinc/82/71/71/1030827171.db2.gz SXSWMPNEUFYGSJ-HNNXBMFYSA-N 1 1 327.497 4.346 20 30 EIEDMO COc1cc(C[NH2+]C(C)(C)c2nc3ccccc3s2)ccc1C#N ZINC000527744815 1030840100 /nfs/dbraw/zinc/84/01/00/1030840100.db2.gz NWLAAUCAWOHXNE-UHFFFAOYSA-N 1 1 337.448 4.201 20 30 EIEDMO C=C(C)C[N@@H+](CC)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000612095554 1030865331 /nfs/dbraw/zinc/86/53/31/1030865331.db2.gz DCKOHZQEFCUZMM-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000612095554 1030865335 /nfs/dbraw/zinc/86/53/35/1030865335.db2.gz DCKOHZQEFCUZMM-FQEVSTJZSA-N 1 1 338.451 4.273 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1F ZINC000103474948 1030898978 /nfs/dbraw/zinc/89/89/78/1030898978.db2.gz KFNHAMAEMMJMLL-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)C1 ZINC000052031425 1030951317 /nfs/dbraw/zinc/95/13/17/1030951317.db2.gz OBKAYMZMKZEQFO-AWEZNQCLSA-N 1 1 339.464 4.104 20 30 EIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCCC#N)cc1OC ZINC000102401711 1031257917 /nfs/dbraw/zinc/25/79/17/1031257917.db2.gz ULRXEJOJDZWDKD-SFHVURJKSA-N 1 1 330.472 4.185 20 30 EIEDMO N#Cc1ccccc1-c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581792 1031314475 /nfs/dbraw/zinc/31/44/75/1031314475.db2.gz NBXQBAXARGMQHK-FQEVSTJZSA-N 1 1 345.490 4.143 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](CCSC)C(C)(C)O)cc1 ZINC001168217129 1031325014 /nfs/dbraw/zinc/32/50/14/1031325014.db2.gz NJJQRWZRQRMBFF-RBUKOAKNSA-N 1 1 348.556 4.314 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccnn3C3CCCC3)CC2)cc1 ZINC000449042762 1031397301 /nfs/dbraw/zinc/39/73/01/1031397301.db2.gz UQCLCJLVYRYTKY-UHFFFAOYSA-N 1 1 332.451 4.159 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccnn3C3CCCC3)CC2)cc1 ZINC000449042762 1031397321 /nfs/dbraw/zinc/39/73/21/1031397321.db2.gz UQCLCJLVYRYTKY-UHFFFAOYSA-N 1 1 332.451 4.159 20 30 EIEDMO C[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073714 1031428561 /nfs/dbraw/zinc/42/85/61/1031428561.db2.gz NSJSLHVQQWPWIB-OALUTQOASA-N 1 1 347.506 4.304 20 30 EIEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)CC2)c1 ZINC000449201175 1031543725 /nfs/dbraw/zinc/54/37/25/1031543725.db2.gz IDCPQLQSEQSEBL-OAHLLOKOSA-N 1 1 328.337 4.242 20 30 EIEDMO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548936740 1031590629 /nfs/dbraw/zinc/59/06/29/1031590629.db2.gz KTBAQHXQMNSSJV-AWEZNQCLSA-N 1 1 348.402 4.332 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065959593 1031625814 /nfs/dbraw/zinc/62/58/14/1031625814.db2.gz ZBEDBRJHDZXROS-UHFFFAOYSA-N 1 1 348.490 4.153 20 30 EIEDMO N#Cc1c(F)ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c1Cl ZINC000365379042 1031651962 /nfs/dbraw/zinc/65/19/62/1031651962.db2.gz IWAJVSHUCGJCRP-PKOBYXMFSA-N 1 1 344.817 4.361 20 30 EIEDMO COc1cc(C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364876 1031659998 /nfs/dbraw/zinc/65/99/98/1031659998.db2.gz RTMDGZDGKJGLJY-ZOWXZIJZSA-N 1 1 326.362 4.118 20 30 EIEDMO Cc1cccc([C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)c1 ZINC000528764221 1031827478 /nfs/dbraw/zinc/82/74/78/1031827478.db2.gz CZLHAGOLCHLZBF-HXUWFJFHSA-N 1 1 346.434 4.404 20 30 EIEDMO COCC[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000449551028 1031841462 /nfs/dbraw/zinc/84/14/62/1031841462.db2.gz FJRSTGHKBCAEOF-SFHVURJKSA-N 1 1 348.368 4.444 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)ccc1Cl ZINC000347373592 1031863641 /nfs/dbraw/zinc/86/36/41/1031863641.db2.gz LZLUSNLUEBLPMF-HNNXBMFYSA-N 1 1 347.890 4.016 20 30 EIEDMO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000459363286 1031943348 /nfs/dbraw/zinc/94/33/48/1031943348.db2.gz URFJRRQQGLOEJM-OALUTQOASA-N 1 1 336.435 4.063 20 30 EIEDMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000459363286 1031943362 /nfs/dbraw/zinc/94/33/62/1031943362.db2.gz URFJRRQQGLOEJM-OALUTQOASA-N 1 1 336.435 4.063 20 30 EIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000614166511 1033549754 /nfs/dbraw/zinc/54/97/54/1033549754.db2.gz NDGTWKKLNNMCCZ-NRFANRHFSA-N 1 1 334.463 4.234 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168195 1033554830 /nfs/dbraw/zinc/55/48/30/1033554830.db2.gz XLPBYCUQPXPTAF-GOSISDBHSA-N 1 1 334.463 4.486 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174557 1033573085 /nfs/dbraw/zinc/57/30/85/1033573085.db2.gz ZLUSCTALUIVBQG-RBUKOAKNSA-N 1 1 326.484 4.267 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512635804 1033577157 /nfs/dbraw/zinc/57/71/57/1033577157.db2.gz IKKWYUSRKJYXQU-NEPJUHHUSA-N 1 1 346.377 4.265 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000614176903 1033596270 /nfs/dbraw/zinc/59/62/70/1033596270.db2.gz CIQHOSXQGZULNU-QFIPXVFZSA-N 1 1 348.490 4.261 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649501 1033606610 /nfs/dbraw/zinc/60/66/10/1033606610.db2.gz SGFNFMLVBGUXFL-LPHOPBHVSA-N 1 1 337.442 4.013 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649501 1033606619 /nfs/dbraw/zinc/60/66/19/1033606619.db2.gz SGFNFMLVBGUXFL-LPHOPBHVSA-N 1 1 337.442 4.013 20 30 EIEDMO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)n1 ZINC000512656460 1033628902 /nfs/dbraw/zinc/62/89/02/1033628902.db2.gz ZWEQBENPZILWAR-HNNXBMFYSA-N 1 1 328.435 4.243 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662341 1033651008 /nfs/dbraw/zinc/65/10/08/1033651008.db2.gz WNIJWOXOQSXREW-TXPKVOOTSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662341 1033651022 /nfs/dbraw/zinc/65/10/22/1033651022.db2.gz WNIJWOXOQSXREW-TXPKVOOTSA-N 1 1 337.442 4.183 20 30 EIEDMO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666056 1033663087 /nfs/dbraw/zinc/66/30/87/1033663087.db2.gz IJBWLFVHDMZQSX-KKSFZXQISA-N 1 1 337.442 4.185 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419331733 1034308267 /nfs/dbraw/zinc/30/82/67/1034308267.db2.gz RTZBIHRLDZSUFB-HUUCEWRRSA-N 1 1 333.501 4.095 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419334067 1034325564 /nfs/dbraw/zinc/32/55/64/1034325564.db2.gz UYWJHSQQBDSWNB-SJORKVTESA-N 1 1 338.455 4.255 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550818 /nfs/dbraw/zinc/55/08/18/1034550818.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 1 1 347.506 4.352 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000729316528 1034782134 /nfs/dbraw/zinc/78/21/34/1034782134.db2.gz LRCVRALZUSZZNE-LEWJYISDSA-N 1 1 347.462 4.155 20 30 EIEDMO CCOc1cc(C[NH2+]Cc2ccc(C#N)cc2F)cc(Cl)c1OC ZINC000236962754 1034842955 /nfs/dbraw/zinc/84/29/55/1034842955.db2.gz WUARFBKTXAVHOE-UHFFFAOYSA-N 1 1 348.805 4.048 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513467553 1034968350 /nfs/dbraw/zinc/96/83/50/1034968350.db2.gz WVNKVDFQITVIFY-LJQANCHMSA-N 1 1 338.426 4.498 20 30 EIEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106259 1035378287 /nfs/dbraw/zinc/37/82/87/1035378287.db2.gz OCCOSOBQVBUBTO-QGZVFWFLSA-N 1 1 347.890 4.097 20 30 EIEDMO C=C(CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001625924001 1035388298 /nfs/dbraw/zinc/38/82/98/1035388298.db2.gz AXMORBBZMIANGG-IBGZPJMESA-N 1 1 328.500 4.006 20 30 EIEDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC1(C#N)CC1 ZINC000501540272 1035461711 /nfs/dbraw/zinc/46/17/11/1035461711.db2.gz OIWGUQPABGIMIB-UHFFFAOYSA-N 1 1 340.446 4.164 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCCCC1 ZINC000594994181 1035520225 /nfs/dbraw/zinc/52/02/25/1035520225.db2.gz HRQZOPGWGCOHTJ-UHFFFAOYSA-N 1 1 335.451 4.224 20 30 EIEDMO C=CCCSCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000595057728 1035537063 /nfs/dbraw/zinc/53/70/63/1035537063.db2.gz DERHRAFCBRIQAK-MRXNPFEDSA-N 1 1 335.904 4.062 20 30 EIEDMO Cn1cc(C[N@@H+](C)C2CCC(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490597293 1035544242 /nfs/dbraw/zinc/54/42/42/1035544242.db2.gz MEZPOAHVNKKAIT-UHFFFAOYSA-N 1 1 336.483 4.359 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC000904732685 1035567144 /nfs/dbraw/zinc/56/71/44/1035567144.db2.gz KKPBQFXIOKNIIO-NSHDSACASA-N 1 1 342.226 4.312 20 30 EIEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000595299024 1035625850 /nfs/dbraw/zinc/62/58/50/1035625850.db2.gz VEVBEYOZLIONPF-FGZHOGPDSA-N 1 1 334.463 4.200 20 30 EIEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000574973808 1035647559 /nfs/dbraw/zinc/64/75/59/1035647559.db2.gz ICEZCRKQUXXWSB-DEYYWGMASA-N 1 1 337.471 4.308 20 30 EIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000595621561 1035735105 /nfs/dbraw/zinc/73/51/05/1035735105.db2.gz WGQKXZLWYOZZPW-KRWDZBQOSA-N 1 1 333.435 4.065 20 30 EIEDMO CC(C)([NH2+]Cc1ccn(CCc2ccccc2)n1)c1cccc(C#N)c1 ZINC000595633409 1035741824 /nfs/dbraw/zinc/74/18/24/1035741824.db2.gz RCXZKSDTIPJBIL-UHFFFAOYSA-N 1 1 344.462 4.022 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609077 1035749917 /nfs/dbraw/zinc/74/99/17/1035749917.db2.gz FSPSNOPLQGINOJ-GVDBMIGSSA-N 1 1 327.472 4.153 20 30 EIEDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609077 1035749937 /nfs/dbraw/zinc/74/99/37/1035749937.db2.gz FSPSNOPLQGINOJ-GVDBMIGSSA-N 1 1 327.472 4.153 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614395 1035750127 /nfs/dbraw/zinc/75/01/27/1035750127.db2.gz HJMZHALZFUXEJE-KSZLIROESA-N 1 1 349.478 4.031 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000595676572 1035763129 /nfs/dbraw/zinc/76/31/29/1035763129.db2.gz PSZJWFHTULPWGV-HXUWFJFHSA-N 1 1 349.434 4.097 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751080 1035785217 /nfs/dbraw/zinc/78/52/17/1035785217.db2.gz VFRWBFKWIKXIIX-AWEZNQCLSA-N 1 1 329.271 4.289 20 30 EIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124916 1035796095 /nfs/dbraw/zinc/79/60/95/1035796095.db2.gz LHWLTVCMQUQRGZ-BVSLBCMMSA-N 1 1 348.446 4.061 20 30 EIEDMO C[C@]1(C#N)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595843198 1035798475 /nfs/dbraw/zinc/79/84/75/1035798475.db2.gz JCCDWZNDCCUMQT-OAQYLSRUSA-N 1 1 329.447 4.122 20 30 EIEDMO C[C@]1(C#N)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595843198 1035798500 /nfs/dbraw/zinc/79/85/00/1035798500.db2.gz JCCDWZNDCCUMQT-OAQYLSRUSA-N 1 1 329.447 4.122 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000129564007 1035904487 /nfs/dbraw/zinc/90/44/87/1035904487.db2.gz FBZKXZMXWVXNNQ-FQEVSTJZSA-N 1 1 338.838 4.034 20 30 EIEDMO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000571074114 1035935521 /nfs/dbraw/zinc/93/55/21/1035935521.db2.gz HJPWNUVVLHRVKY-TZIWHRDSSA-N 1 1 347.462 4.457 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1Br ZINC000222044268 1035956033 /nfs/dbraw/zinc/95/60/33/1035956033.db2.gz AOCAJLOSWUQNBN-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO COCc1csc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000597028402 1036074421 /nfs/dbraw/zinc/07/44/21/1036074421.db2.gz YCLDEGGYMMTLFR-MOPGFXCFSA-N 1 1 326.465 4.166 20 30 EIEDMO COCc1csc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000597028402 1036074443 /nfs/dbraw/zinc/07/44/43/1036074443.db2.gz YCLDEGGYMMTLFR-MOPGFXCFSA-N 1 1 326.465 4.166 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597014901 1036084415 /nfs/dbraw/zinc/08/44/15/1036084415.db2.gz TWHVSNXHDSZWEZ-GOSISDBHSA-N 1 1 332.447 4.240 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597174293 1036143052 /nfs/dbraw/zinc/14/30/52/1036143052.db2.gz ORHPKDWLRXTEKI-GOSISDBHSA-N 1 1 345.446 4.263 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000502455675 1036236174 /nfs/dbraw/zinc/23/61/74/1036236174.db2.gz LCZCUVYNFXBUEG-OAHLLOKOSA-N 1 1 328.843 4.355 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000502455675 1036236187 /nfs/dbraw/zinc/23/61/87/1036236187.db2.gz LCZCUVYNFXBUEG-OAHLLOKOSA-N 1 1 328.843 4.355 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000502524472 1036291447 /nfs/dbraw/zinc/29/14/47/1036291447.db2.gz UGSHHTDIFJBOPE-UHFFFAOYSA-N 1 1 331.444 4.457 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000502524472 1036291464 /nfs/dbraw/zinc/29/14/64/1036291464.db2.gz UGSHHTDIFJBOPE-UHFFFAOYSA-N 1 1 331.444 4.457 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C1CCC(F)(F)CC1 ZINC000588216178 1036304393 /nfs/dbraw/zinc/30/43/93/1036304393.db2.gz OKBZDUUKKSPDEY-UHFFFAOYSA-N 1 1 343.215 4.330 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000421382156 1036341200 /nfs/dbraw/zinc/34/12/00/1036341200.db2.gz BMLXXORLIFTTCR-CYBMUJFWSA-N 1 1 343.389 4.294 20 30 EIEDMO CCOc1cc(C[N@@H+](C)C[C@H](C)CCC#N)ccc1OC(F)F ZINC000602438776 1036447544 /nfs/dbraw/zinc/44/75/44/1036447544.db2.gz AEBSDUYIVVEDAH-CYBMUJFWSA-N 1 1 326.387 4.058 20 30 EIEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)[C@H](CC)CN1C[C@H](C)CCC#N ZINC000602494924 1036469060 /nfs/dbraw/zinc/46/90/60/1036469060.db2.gz RAJYMQGHMIIKKY-UAFMIMERSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@H](CC#N)[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000602860414 1036647748 /nfs/dbraw/zinc/64/77/48/1036647748.db2.gz BNZUMQYKECENHU-LLVKDONJSA-N 1 1 330.844 4.108 20 30 EIEDMO CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598589131 1036707531 /nfs/dbraw/zinc/70/75/31/1036707531.db2.gz DPHVHVAYRZNDNJ-CABCVRRESA-N 1 1 349.544 4.268 20 30 EIEDMO CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598589131 1036707549 /nfs/dbraw/zinc/70/75/49/1036707549.db2.gz DPHVHVAYRZNDNJ-CABCVRRESA-N 1 1 349.544 4.268 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000598591637 1036709656 /nfs/dbraw/zinc/70/96/56/1036709656.db2.gz XIBOTLPMCWKWCI-LJQANCHMSA-N 1 1 340.442 4.129 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000598596836 1036712829 /nfs/dbraw/zinc/71/28/29/1036712829.db2.gz MKCUIEDUQGECJG-IRLDBZIGSA-N 1 1 348.490 4.129 20 30 EIEDMO C=CCOc1ccc(C(=O)Nc2cccc3c2C[N@H+](CCC)C3)cc1 ZINC000589408677 1036772521 /nfs/dbraw/zinc/77/25/21/1036772521.db2.gz YOMOKHCCJBJIRB-UHFFFAOYSA-N 1 1 336.435 4.229 20 30 EIEDMO C=CCOc1ccc(C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)cc1 ZINC000589408677 1036772540 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C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000058828921 1038105839 /nfs/dbraw/zinc/10/58/39/1038105839.db2.gz MBMQAMBRUIBFBY-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000489867204 1038254208 /nfs/dbraw/zinc/25/42/08/1038254208.db2.gz VVYVMJYOLITPPE-YLJYHZDGSA-N 1 1 326.390 4.279 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000489867204 1038254217 /nfs/dbraw/zinc/25/42/17/1038254217.db2.gz VVYVMJYOLITPPE-YLJYHZDGSA-N 1 1 326.390 4.279 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747182 1038288057 /nfs/dbraw/zinc/28/80/57/1038288057.db2.gz SNLOHSDMJRAJDI-UHFFFAOYSA-N 1 1 340.511 4.130 20 30 EIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)c1C#N ZINC000574505049 1038294111 /nfs/dbraw/zinc/29/41/11/1038294111.db2.gz TXRIODNQMJPNKL-AWEZNQCLSA-N 1 1 334.419 4.073 20 30 EIEDMO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046517984 1038296543 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/nfs/dbraw/zinc/82/98/67/1039829867.db2.gz KWGGSWNRUYPUHH-QGZVFWFLSA-N 1 1 335.875 4.153 20 30 EIEDMO Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc(C#N)n1 ZINC000552937778 1039877367 /nfs/dbraw/zinc/87/73/67/1039877367.db2.gz OQGGUOUXJVMQCE-KRWDZBQOSA-N 1 1 334.467 4.248 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689439 1039879241 /nfs/dbraw/zinc/87/92/41/1039879241.db2.gz OSLOAZINJFWYKB-DNVCBOLYSA-N 1 1 336.410 4.353 20 30 EIEDMO CCCCN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916700 1039893086 /nfs/dbraw/zinc/89/30/86/1039893086.db2.gz HAPZIEAKVDUICS-OAQYLSRUSA-N 1 1 325.500 4.180 20 30 EIEDMO CCCC[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916700 1039893090 /nfs/dbraw/zinc/89/30/90/1039893090.db2.gz HAPZIEAKVDUICS-OAQYLSRUSA-N 1 1 325.500 4.180 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105380 1040070275 /nfs/dbraw/zinc/07/02/75/1040070275.db2.gz KMAYEHGUWGIYRP-ICSRJNTNSA-N 1 1 341.499 4.010 20 30 EIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000482493321 1040296587 /nfs/dbraw/zinc/29/65/87/1040296587.db2.gz FUENZDZSFUTFIO-AWEZNQCLSA-N 1 1 347.256 4.367 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)ncn2C ZINC000539408398 1040421677 /nfs/dbraw/zinc/42/16/77/1040421677.db2.gz IJXYOUZNKWUDQS-UHFFFAOYSA-N 1 1 332.451 4.103 20 30 EIEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000505705628 1040447023 /nfs/dbraw/zinc/44/70/23/1040447023.db2.gz KCFHCUYQAXDGPF-UHFFFAOYSA-N 1 1 338.451 4.400 20 30 EIEDMO CC#CCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000462315749 1040474083 /nfs/dbraw/zinc/47/40/83/1040474083.db2.gz KZDVKKHDDOMVIT-UHFFFAOYSA-N 1 1 327.255 4.057 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OCc2ccccn2)cc1 ZINC000491262228 1040504927 /nfs/dbraw/zinc/50/49/27/1040504927.db2.gz XTSWLZLGPRNMDV-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO C[C@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000462371276 1040520078 /nfs/dbraw/zinc/52/00/78/1040520078.db2.gz UAHXSEQYFLSLEM-CQSZACIVSA-N 1 1 325.843 4.070 20 30 EIEDMO C=CCC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001270001480 1040535104 /nfs/dbraw/zinc/53/51/04/1040535104.db2.gz YOPJXMAYLBZCJP-ZACQAIPSSA-N 1 1 342.474 4.089 20 30 EIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000539569786 1040566210 /nfs/dbraw/zinc/56/62/10/1040566210.db2.gz KGDPAEQDRCVIIM-QTMHVTGLSA-N 1 1 347.547 4.110 20 30 EIEDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000477565197 1040618145 /nfs/dbraw/zinc/61/81/45/1040618145.db2.gz QNZWIPKKYALWAM-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000428791329 1040635888 /nfs/dbraw/zinc/63/58/88/1040635888.db2.gz ZORXFGNLACQJEI-CJNGLKHVSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(C)(C)C#N ZINC000428791329 1040635894 /nfs/dbraw/zinc/63/58/94/1040635894.db2.gz ZORXFGNLACQJEI-CJNGLKHVSA-N 1 1 340.389 4.407 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000537725743 1040776410 /nfs/dbraw/zinc/77/64/10/1040776410.db2.gz YVHHLLTZVFLSLN-QAPCUYQASA-N 1 1 345.874 4.184 20 30 EIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000386376198 1040864423 /nfs/dbraw/zinc/86/44/23/1040864423.db2.gz QHRZJBUHNDANKY-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C=C(C)C[N@@H+](CCc1ccc(F)cc1Cl)Cc1ccc(CO)o1 ZINC000515564130 1040869399 /nfs/dbraw/zinc/86/93/99/1040869399.db2.gz HVELWDJJVLPKHF-UHFFFAOYSA-N 1 1 337.822 4.185 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898515836 1040969323 /nfs/dbraw/zinc/96/93/23/1040969323.db2.gz GLXMCQYUJIOWPC-UXHICEINSA-N 1 1 342.483 4.008 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)cc1F ZINC000483714471 1040970206 /nfs/dbraw/zinc/97/02/06/1040970206.db2.gz PTYANXZVOIUQJS-UHFFFAOYSA-N 1 1 330.353 4.355 20 30 EIEDMO N#Cc1cccc(Cl)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000462818211 1040994479 /nfs/dbraw/zinc/99/44/79/1040994479.db2.gz VMNIWJNZZVTBIC-KRWDZBQOSA-N 1 1 339.870 4.188 20 30 EIEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000425505830 1041022442 /nfs/dbraw/zinc/02/24/42/1041022442.db2.gz BPENWWVHPSWLAI-UHFFFAOYSA-N 1 1 332.806 4.384 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1F ZINC000484060385 1041099485 /nfs/dbraw/zinc/09/94/85/1041099485.db2.gz WKFFDXBJFDHTPF-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1F ZINC000484060385 1041099507 /nfs/dbraw/zinc/09/95/07/1041099507.db2.gz WKFFDXBJFDHTPF-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000538305256 1041256379 /nfs/dbraw/zinc/25/63/79/1041256379.db2.gz DUIOZQSUCROZMY-UHFFFAOYSA-N 1 1 347.462 4.284 20 30 EIEDMO C=CC[N@@H+](Cc1nc(Cc2ccccc2)no1)CC1CCCCC1 ZINC000484597537 1041350156 /nfs/dbraw/zinc/35/01/56/1041350156.db2.gz KECNQCIMTGWQMB-UHFFFAOYSA-N 1 1 325.456 4.229 20 30 EIEDMO C=CC[N@H+](Cc1nc(Cc2ccccc2)no1)CC1CCCCC1 ZINC000484597537 1041350165 /nfs/dbraw/zinc/35/01/65/1041350165.db2.gz KECNQCIMTGWQMB-UHFFFAOYSA-N 1 1 325.456 4.229 20 30 EIEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000480525449 1041356948 /nfs/dbraw/zinc/35/69/48/1041356948.db2.gz IQQXPCPICCLNFP-RCCFBDPRSA-N 1 1 332.875 4.237 20 30 EIEDMO CC(C)(C#N)CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000538466743 1041371197 /nfs/dbraw/zinc/37/11/97/1041371197.db2.gz OSKQULAIBHPZBF-UHFFFAOYSA-N 1 1 336.479 4.400 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(C#N)c(F)c1 ZINC000538506759 1041394231 /nfs/dbraw/zinc/39/42/31/1041394231.db2.gz XYOSHNBBZMBZIP-ZDUSSCGKSA-N 1 1 327.403 4.120 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(C#N)c(F)c1 ZINC000538506758 1041395031 /nfs/dbraw/zinc/39/50/31/1041395031.db2.gz XYOSHNBBZMBZIP-CYBMUJFWSA-N 1 1 327.403 4.120 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463211394 1041423856 /nfs/dbraw/zinc/42/38/56/1041423856.db2.gz PUBFPFVXHKMXFS-IPMKNSEASA-N 1 1 332.875 4.117 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000505867750 1041431236 /nfs/dbraw/zinc/43/12/36/1041431236.db2.gz IGLWSKJFCIJEFU-UHFFFAOYSA-N 1 1 332.451 4.332 20 30 EIEDMO N#Cc1ccccc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000540418766 1041446795 /nfs/dbraw/zinc/44/67/95/1041446795.db2.gz NFPRDJBIDANOBR-JOCHJYFZSA-N 1 1 328.415 4.468 20 30 EIEDMO C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752463 1041508959 /nfs/dbraw/zinc/50/89/59/1041508959.db2.gz YATVRIDYTHBPSG-VGSWGCGISA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752463 1041508960 /nfs/dbraw/zinc/50/89/60/1041508960.db2.gz YATVRIDYTHBPSG-VGSWGCGISA-N 1 1 333.479 4.119 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000538751265 1041525482 /nfs/dbraw/zinc/52/54/82/1041525482.db2.gz YOGOAHCLVYZCDP-OAQYLSRUSA-N 1 1 337.463 4.290 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000538750905 1041526640 /nfs/dbraw/zinc/52/66/40/1041526640.db2.gz GEIGOULWPKMZMP-NRFANRHFSA-N 1 1 337.463 4.290 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(CCCOc2cccc(C)c2C)no1 ZINC000904596221 1041549330 /nfs/dbraw/zinc/54/93/30/1041549330.db2.gz JEUSXTAWYGUUSU-MRXNPFEDSA-N 1 1 329.444 4.054 20 30 EIEDMO Fc1cc(F)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000540803340 1041682386 /nfs/dbraw/zinc/68/23/86/1041682386.db2.gz QHERRELOFVLGRZ-UHFFFAOYSA-N 1 1 343.270 4.264 20 30 EIEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000516692174 1041703774 /nfs/dbraw/zinc/70/37/74/1041703774.db2.gz DFPYJWFIENKWFD-UHFFFAOYSA-N 1 1 347.384 4.275 20 30 EIEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@H]12 ZINC000541112089 1041818864 /nfs/dbraw/zinc/81/88/64/1041818864.db2.gz LMYCDFXGHKSGBB-HLIPFELVSA-N 1 1 349.478 4.248 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)ccc1OC ZINC000506060421 1041823747 /nfs/dbraw/zinc/82/37/47/1041823747.db2.gz SAYQJJYFMIWUAU-LJQANCHMSA-N 1 1 340.467 4.326 20 30 EIEDMO C=CC[N@H+](CC[C@H]1CCOC1)Cc1cc(Br)ccc1F ZINC000437709322 1041885635 /nfs/dbraw/zinc/88/56/35/1041885635.db2.gz LFLDPBLNGIXQBZ-ZDUSSCGKSA-N 1 1 342.252 4.003 20 30 EIEDMO C[N@@H+](CCOc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000506129778 1041908496 /nfs/dbraw/zinc/90/84/96/1041908496.db2.gz CHRRQFPFGBZVRQ-UHFFFAOYSA-N 1 1 335.234 4.376 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000541576666 1042024294 /nfs/dbraw/zinc/02/42/94/1042024294.db2.gz PRWYTNFMXOGJBG-FGZHOGPDSA-N 1 1 334.463 4.365 20 30 EIEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000438057944 1042033267 /nfs/dbraw/zinc/03/32/67/1042033267.db2.gz WBJQMIKUBCZIJV-UTKZUKDTSA-N 1 1 344.499 4.086 20 30 EIEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000438063855 1042035742 /nfs/dbraw/zinc/03/57/42/1042035742.db2.gz DIYBQODJFMTOMX-UWJYYQICSA-N 1 1 344.499 4.228 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000609133237 1042073528 /nfs/dbraw/zinc/07/35/28/1042073528.db2.gz IBOCYMFRXOUSCW-UHFFFAOYSA-N 1 1 338.426 4.248 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000464648757 1042096637 /nfs/dbraw/zinc/09/66/37/1042096637.db2.gz SOYBNZHKFUULAD-MSOLQXFVSA-N 1 1 328.500 4.137 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1OC ZINC000506216511 1042155915 /nfs/dbraw/zinc/15/59/15/1042155915.db2.gz GKLGGPFQVVAXDW-UHFFFAOYSA-N 1 1 333.378 4.170 20 30 EIEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000464832110 1042188760 /nfs/dbraw/zinc/18/87/60/1042188760.db2.gz BODGAHHUUVBKFY-AWEZNQCLSA-N 1 1 327.209 4.004 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000464832110 1042188763 /nfs/dbraw/zinc/18/87/63/1042188763.db2.gz BODGAHHUUVBKFY-AWEZNQCLSA-N 1 1 327.209 4.004 20 30 EIEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000541954247 1042195971 /nfs/dbraw/zinc/19/59/71/1042195971.db2.gz IMVGZSJCACONSS-UHFFFAOYSA-N 1 1 349.434 4.043 20 30 EIEDMO CCC[N@@H+](Cc1cc(C(=O)OC)sc1C)Cc1ccc(C#N)cc1 ZINC000464866336 1042208275 /nfs/dbraw/zinc/20/82/75/1042208275.db2.gz DIBMEPJPJFLYJD-UHFFFAOYSA-N 1 1 342.464 4.127 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1Cl ZINC000506354293 1042343569 /nfs/dbraw/zinc/34/35/69/1042343569.db2.gz CQWABQLUSQJHFJ-UHFFFAOYSA-N 1 1 347.842 4.251 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(C)C ZINC000491410312 1042442577 /nfs/dbraw/zinc/44/25/77/1042442577.db2.gz NLRGXSNILOOQCE-UHFFFAOYSA-N 1 1 326.440 4.072 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(C)C ZINC000491410312 1042442588 /nfs/dbraw/zinc/44/25/88/1042442588.db2.gz NLRGXSNILOOQCE-UHFFFAOYSA-N 1 1 326.440 4.072 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000506475185 1042478170 /nfs/dbraw/zinc/47/81/70/1042478170.db2.gz SWWDXUHKQRVEBA-CQSZACIVSA-N 1 1 327.209 4.004 20 30 EIEDMO C#C[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491535471 1042464175 /nfs/dbraw/zinc/46/41/75/1042464175.db2.gz BZNUOACCBDEFPL-MRXNPFEDSA-N 1 1 344.808 4.021 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1 ZINC000439014573 1042469011 /nfs/dbraw/zinc/46/90/11/1042469011.db2.gz IADVESNQXDVUIK-UHFFFAOYSA-N 1 1 338.882 4.292 20 30 EIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)c1C#N ZINC000030150144 1042492609 /nfs/dbraw/zinc/49/26/09/1042492609.db2.gz RJLOAQZLXPSDEJ-HNNXBMFYSA-N 1 1 344.503 4.007 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)cc1 ZINC000491693358 1042492829 /nfs/dbraw/zinc/49/28/29/1042492829.db2.gz IZMSXYKCZDWCRM-IBGZPJMESA-N 1 1 349.821 4.386 20 30 EIEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000271931776 1042523427 /nfs/dbraw/zinc/52/34/27/1042523427.db2.gz ILODCUWNPDAJCQ-ADLMAVQZSA-N 1 1 334.341 4.014 20 30 EIEDMO COc1cc2c(c(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)c1)O[C@@H](C)C2 ZINC000506547094 1042587747 /nfs/dbraw/zinc/58/77/47/1042587747.db2.gz ORLMQCZZTDOOFT-HNNXBMFYSA-N 1 1 348.446 4.055 20 30 EIEDMO COc1cc2c(c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)c1)O[C@@H](C)C2 ZINC000506547094 1042587748 /nfs/dbraw/zinc/58/77/48/1042587748.db2.gz ORLMQCZZTDOOFT-HNNXBMFYSA-N 1 1 348.446 4.055 20 30 EIEDMO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271967912 1042592771 /nfs/dbraw/zinc/59/27/71/1042592771.db2.gz WBLDNIFTTMTBQL-MRXNPFEDSA-N 1 1 337.442 4.144 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271967744 1042593438 /nfs/dbraw/zinc/59/34/38/1042593438.db2.gz SXZASIFDOSTCDP-VXGBXAGGSA-N 1 1 346.377 4.265 20 30 EIEDMO Clc1ccc(C#CC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000426378557 1042618716 /nfs/dbraw/zinc/61/87/16/1042618716.db2.gz LXGLVQRBVZEXRJ-UHFFFAOYSA-N 1 1 347.849 4.357 20 30 EIEDMO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439436634 1042624520 /nfs/dbraw/zinc/62/45/20/1042624520.db2.gz ITTRREKOLZNSOY-UHFFFAOYSA-N 1 1 345.918 4.300 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2Cl)C2CC2)ccc1O ZINC000439443144 1042628812 /nfs/dbraw/zinc/62/88/12/1042628812.db2.gz NJYRKHSPRQZICO-UHFFFAOYSA-N 1 1 342.826 4.090 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2Cl)C2CC2)ccc1O ZINC000439443144 1042628815 /nfs/dbraw/zinc/62/88/15/1042628815.db2.gz NJYRKHSPRQZICO-UHFFFAOYSA-N 1 1 342.826 4.090 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439428380 1042629313 /nfs/dbraw/zinc/62/93/13/1042629313.db2.gz CKHLERAOJKWWAM-MRXNPFEDSA-N 1 1 346.883 4.454 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439428380 1042629317 /nfs/dbraw/zinc/62/93/17/1042629317.db2.gz CKHLERAOJKWWAM-MRXNPFEDSA-N 1 1 346.883 4.454 20 30 EIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452151 1042636771 /nfs/dbraw/zinc/63/67/71/1042636771.db2.gz LYKZSTLSXJOTJM-INIZCTEOSA-N 1 1 326.827 4.210 20 30 EIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000048617371 1042692423 /nfs/dbraw/zinc/69/24/23/1042692423.db2.gz PJVAAFLJQRTPRL-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000048617371 1042692426 /nfs/dbraw/zinc/69/24/26/1042692426.db2.gz PJVAAFLJQRTPRL-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000174809158 1042714729 /nfs/dbraw/zinc/71/47/29/1042714729.db2.gz FBTVSKXODQLKDM-UHFFFAOYSA-N 1 1 342.270 4.194 20 30 EIEDMO Cc1cc(C[NH2+]Cc2ccc(F)cc2Br)ccc1C#N ZINC000443978977 1042717595 /nfs/dbraw/zinc/71/75/95/1042717595.db2.gz JPSMFFGAEPPUOI-UHFFFAOYSA-N 1 1 333.204 4.058 20 30 EIEDMO COc1ccccc1C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000174863359 1042717852 /nfs/dbraw/zinc/71/78/52/1042717852.db2.gz UOSXIORNUCAISY-SFHVURJKSA-N 1 1 330.472 4.006 20 30 EIEDMO Cc1cc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)ccc1C#N ZINC000444000652 1042744634 /nfs/dbraw/zinc/74/46/34/1042744634.db2.gz WYGFAHBNHNKHPU-AWEZNQCLSA-N 1 1 334.448 4.236 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1C ZINC000519002864 1042786245 /nfs/dbraw/zinc/78/62/45/1042786245.db2.gz KHXFEQVOVYZBEU-LPHOPBHVSA-N 1 1 341.499 4.061 20 30 EIEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1(C)C ZINC000353935681 1042838913 /nfs/dbraw/zinc/83/89/13/1042838913.db2.gz VFWNQRFNJFENSF-QUCCMNQESA-N 1 1 330.472 4.005 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cc(F)c1)[C@@H]2CC ZINC001143586043 1042865521 /nfs/dbraw/zinc/86/55/21/1042865521.db2.gz RFSHLWYEZRGMJE-CTNGQTDRSA-N 1 1 344.474 4.056 20 30 EIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000441672067 1042969286 /nfs/dbraw/zinc/96/92/86/1042969286.db2.gz UXLDZLLUGPSVEW-HNNXBMFYSA-N 1 1 333.501 4.076 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000493960313 1042993967 /nfs/dbraw/zinc/99/39/67/1042993967.db2.gz LIEBNIKGOQUUAQ-GOSISDBHSA-N 1 1 331.843 4.382 20 30 EIEDMO N#Cc1ccc(C[NH+](Cc2ccco2)Cc2ccc(C#N)cc2)cc1 ZINC000028963527 1043055650 /nfs/dbraw/zinc/05/56/50/1043055650.db2.gz NNEOLFURKJUWKF-UHFFFAOYSA-N 1 1 327.387 4.225 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645192 1043105807 /nfs/dbraw/zinc/10/58/07/1043105807.db2.gz MHFJYHRHDXTBPV-FKBYEOEOSA-N 1 1 348.490 4.298 20 30 EIEDMO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000427659543 1043147881 /nfs/dbraw/zinc/14/78/81/1043147881.db2.gz JZXNGCOHWHWONT-CTNGQTDRSA-N 1 1 342.527 4.221 20 30 EIEDMO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507859583 1043159324 /nfs/dbraw/zinc/15/93/24/1043159324.db2.gz MPHFAWRYDQLXTF-CQSZACIVSA-N 1 1 342.389 4.441 20 30 EIEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487403853 1043198031 /nfs/dbraw/zinc/19/80/31/1043198031.db2.gz SROFNBPXYKLUIV-UHFFFAOYSA-N 1 1 336.479 4.179 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+](C3CC3)[C@H]3CCCc4ccccc43)n2c1 ZINC000507995639 1043230057 /nfs/dbraw/zinc/23/00/57/1043230057.db2.gz VFOPFONDJIBZPV-NRFANRHFSA-N 1 1 342.446 4.248 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)c(F)c1 ZINC000922012157 1043303046 /nfs/dbraw/zinc/30/30/46/1043303046.db2.gz PELCBLPRSHIJOV-LJQANCHMSA-N 1 1 331.410 4.368 20 30 EIEDMO C=CCn1c2ccccc2nc1SCCCCn1cc[nH+]c1C ZINC000347883344 1043332264 /nfs/dbraw/zinc/33/22/64/1043332264.db2.gz VZDHTGUSSCKOHB-UHFFFAOYSA-N 1 1 326.469 4.300 20 30 EIEDMO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000625705269 1043363495 /nfs/dbraw/zinc/36/34/95/1043363495.db2.gz ZMMVTVSBHUNQDT-ZDUSSCGKSA-N 1 1 329.469 4.075 20 30 EIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494235903 1043377025 /nfs/dbraw/zinc/37/70/25/1043377025.db2.gz ZSLQQBZOYFKIRL-WJDWOHSUSA-N 1 1 344.418 4.144 20 30 EIEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494235903 1043377036 /nfs/dbraw/zinc/37/70/36/1043377036.db2.gz ZSLQQBZOYFKIRL-WJDWOHSUSA-N 1 1 344.418 4.144 20 30 EIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499601369 1043390370 /nfs/dbraw/zinc/39/03/70/1043390370.db2.gz XAMJZRZDHASHLN-JKSUJKDBSA-N 1 1 330.447 4.234 20 30 EIEDMO Cc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc1 ZINC000521195603 1043646428 /nfs/dbraw/zinc/64/64/28/1043646428.db2.gz KCCUDTWMGRAGFP-UHFFFAOYSA-N 1 1 346.434 4.327 20 30 EIEDMO Cc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc1 ZINC000521195603 1043646448 /nfs/dbraw/zinc/64/64/48/1043646448.db2.gz KCCUDTWMGRAGFP-UHFFFAOYSA-N 1 1 346.434 4.327 20 30 EIEDMO CCOc1cccc(/C=N/C[C@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488647 1043764680 /nfs/dbraw/zinc/76/46/80/1043764680.db2.gz OALGGXMQFUVFHM-VZMFNRANSA-N 1 1 344.499 4.255 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000191443185 1043817809 /nfs/dbraw/zinc/81/78/09/1043817809.db2.gz HUEJSESEQXTHBE-MRXNPFEDSA-N 1 1 331.504 4.390 20 30 EIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442803540 1043847650 /nfs/dbraw/zinc/84/76/50/1043847650.db2.gz XAPGVCAHXYVHLT-HXUWFJFHSA-N 1 1 336.435 4.303 20 30 EIEDMO N#Cc1ccc(Br)c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000191821214 1043850622 /nfs/dbraw/zinc/85/06/22/1043850622.db2.gz ZBKRVOSCRRAWCG-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)ccc1C#N ZINC000442815466 1043853734 /nfs/dbraw/zinc/85/37/34/1043853734.db2.gz UUFALNSKOHVQMZ-UHFFFAOYSA-N 1 1 328.362 4.010 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)ccc1C#N ZINC000442815466 1043853740 /nfs/dbraw/zinc/85/37/40/1043853740.db2.gz UUFALNSKOHVQMZ-UHFFFAOYSA-N 1 1 328.362 4.010 20 30 EIEDMO COc1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)ccc1C#N ZINC000442815129 1043854000 /nfs/dbraw/zinc/85/40/00/1043854000.db2.gz CCSOFCFYQIHQFR-UHFFFAOYSA-N 1 1 343.430 4.337 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1OC ZINC000675103092 1044018662 /nfs/dbraw/zinc/01/86/62/1044018662.db2.gz IRIHKIHIGDEMGG-INIZCTEOSA-N 1 1 345.826 4.137 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000487425377 1044070380 /nfs/dbraw/zinc/07/03/80/1044070380.db2.gz GODSHAQYNXHKBN-QFIPXVFZSA-N 1 1 348.490 4.360 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)cc1 ZINC000733324804 1044188727 /nfs/dbraw/zinc/18/87/27/1044188727.db2.gz DFSNOPKIZPGSIF-UHFFFAOYSA-N 1 1 334.444 4.112 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000733325329 1044190486 /nfs/dbraw/zinc/19/04/86/1044190486.db2.gz DEEJEKHIOCZBCP-UHFFFAOYSA-N 1 1 342.851 4.252 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000733327217 1044194491 /nfs/dbraw/zinc/19/44/91/1044194491.db2.gz PWRFVPKXUKENCN-HSZRJFAPSA-N 1 1 348.490 4.015 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278841 1044199694 /nfs/dbraw/zinc/19/96/94/1044199694.db2.gz YXWGKWQTGYFJKP-CMKODMSKSA-N 1 1 328.500 4.006 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121094838 1044341033 /nfs/dbraw/zinc/34/10/33/1044341033.db2.gz BNEUMEABOTWJQQ-JOCHJYFZSA-N 1 1 344.414 4.392 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121094838 1044341047 /nfs/dbraw/zinc/34/10/47/1044341047.db2.gz BNEUMEABOTWJQQ-JOCHJYFZSA-N 1 1 344.414 4.392 20 30 EIEDMO N#Cc1cc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000922296766 1044463051 /nfs/dbraw/zinc/46/30/51/1044463051.db2.gz YMLVYXLHJZEAKO-OAHLLOKOSA-N 1 1 341.263 4.140 20 30 EIEDMO C=CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495055118 1044623119 /nfs/dbraw/zinc/62/31/19/1044623119.db2.gz ZBZHVRMXSLPLAQ-PZJWPPBQSA-N 1 1 342.527 4.365 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666911 /nfs/dbraw/zinc/66/69/11/1044666911.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 1 1 325.500 4.206 20 30 EIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ccccc2F)c1C ZINC000914695384 1044670369 /nfs/dbraw/zinc/67/03/69/1044670369.db2.gz SCUBTPFMKWSVJU-SFHVURJKSA-N 1 1 342.462 4.174 20 30 EIEDMO C=CCC[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000676419893 1044739284 /nfs/dbraw/zinc/73/92/84/1044739284.db2.gz XNVHRNLTSMYNJO-NRFANRHFSA-N 1 1 349.478 4.009 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556606 1044788475 /nfs/dbraw/zinc/78/84/75/1044788475.db2.gz SONSAMUCQWNXQV-RBBKRZOGSA-N 1 1 337.438 4.277 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000676556607 1044790090 /nfs/dbraw/zinc/79/00/90/1044790090.db2.gz SONSAMUCQWNXQV-UNMCSNQZSA-N 1 1 337.438 4.277 20 30 EIEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309774 1044799785 /nfs/dbraw/zinc/79/97/85/1044799785.db2.gz TYINZDAZLMZNAE-QGZVFWFLSA-N 1 1 336.863 4.023 20 30 EIEDMO C=C(Br)CN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729542556 1044807663 /nfs/dbraw/zinc/80/76/63/1044807663.db2.gz LVNBBVWYOOOLOI-WBVHZDCISA-N 1 1 337.305 4.052 20 30 EIEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000474244371 1044819846 /nfs/dbraw/zinc/81/98/46/1044819846.db2.gz HQQOSFBSVDCBKL-RZUBCFFCSA-N 1 1 340.511 4.102 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124063340 1044821546 /nfs/dbraw/zinc/82/15/46/1044821546.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 1 1 339.508 4.105 20 30 EIEDMO N#Cc1csc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000093342174 1044831582 /nfs/dbraw/zinc/83/15/82/1044831582.db2.gz JGVLQHVIESDZMQ-UHFFFAOYSA-N 1 1 326.465 4.049 20 30 EIEDMO C#CC[C@H](NC(=O)c1ccc(C[N@H+](CC)CCC)cc1)c1ccccc1 ZINC001127325949 1044835233 /nfs/dbraw/zinc/83/52/33/1044835233.db2.gz FXANJMQZNCAXRB-QFIPXVFZSA-N 1 1 348.490 4.413 20 30 EIEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093476112 1044838732 /nfs/dbraw/zinc/83/87/32/1044838732.db2.gz ZHCPSYZOAUKINI-HXUWFJFHSA-N 1 1 330.472 4.006 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1F ZINC000429258537 1044855280 /nfs/dbraw/zinc/85/52/80/1044855280.db2.gz VFLVULBKOIDRTD-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000895718528 1044863011 /nfs/dbraw/zinc/86/30/11/1044863011.db2.gz XCLZINZOEWCWGO-XLIONFOSSA-N 1 1 342.483 4.006 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)cc2c1OCC2 ZINC000922985632 1044883014 /nfs/dbraw/zinc/88/30/14/1044883014.db2.gz FLTDHDBLIUHOLA-NSHDSACASA-N 1 1 330.790 4.136 20 30 EIEDMO CC(C)(C)Oc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000509007318 1044905205 /nfs/dbraw/zinc/90/52/05/1044905205.db2.gz GBFOFLDDIPMFIH-UHFFFAOYSA-N 1 1 347.462 4.420 20 30 EIEDMO CC(C)(C)Oc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000509007318 1044905222 /nfs/dbraw/zinc/90/52/22/1044905222.db2.gz GBFOFLDDIPMFIH-UHFFFAOYSA-N 1 1 347.462 4.420 20 30 EIEDMO CSC[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000429315364 1044933970 /nfs/dbraw/zinc/93/39/70/1044933970.db2.gz ZRPGFSAKTHJUBO-HNNXBMFYSA-N 1 1 327.415 4.132 20 30 EIEDMO C=C(C)CC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000509348246 1044999650 /nfs/dbraw/zinc/99/96/50/1044999650.db2.gz LYNBUJGLKKOUAZ-UHFFFAOYSA-N 1 1 330.520 4.165 20 30 EIEDMO N#Cc1c(C[NH+]2CCC(OC3CCCCC3)CC2)cn2ccccc12 ZINC000125503454 1045010306 /nfs/dbraw/zinc/01/03/06/1045010306.db2.gz HZEQGWVILBAIRB-UHFFFAOYSA-N 1 1 337.467 4.125 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125590190 1045021681 /nfs/dbraw/zinc/02/16/81/1045021681.db2.gz QGZJSOOFCOOSKJ-GFCCVEGCSA-N 1 1 348.372 4.241 20 30 EIEDMO C=CC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)CC1CCCCC1 ZINC000466713153 1045076488 /nfs/dbraw/zinc/07/64/88/1045076488.db2.gz LPLBZYBKSKYDIZ-INIZCTEOSA-N 1 1 335.492 4.372 20 30 EIEDMO C=CC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)CC1CCCCC1 ZINC000466713153 1045076505 /nfs/dbraw/zinc/07/65/05/1045076505.db2.gz LPLBZYBKSKYDIZ-INIZCTEOSA-N 1 1 335.492 4.372 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930819 1045176504 /nfs/dbraw/zinc/17/65/04/1045176504.db2.gz PALWWVLBPOSAPM-GOSISDBHSA-N 1 1 343.515 4.292 20 30 EIEDMO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161918845 1045184102 /nfs/dbraw/zinc/18/41/02/1045184102.db2.gz XWTRLTQJZWPBKM-FZKQIMNGSA-N 1 1 349.400 4.030 20 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/nfs/dbraw/zinc/26/04/34/1045260434.db2.gz RMVIDMHATRJTPV-HSZRJFAPSA-N 1 1 339.442 4.295 20 30 EIEDMO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192993 1045261612 /nfs/dbraw/zinc/26/16/12/1045261612.db2.gz YCTQCRAUKIJOBM-UTKZUKDTSA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192993 1045261622 /nfs/dbraw/zinc/26/16/22/1045261622.db2.gz YCTQCRAUKIJOBM-UTKZUKDTSA-N 1 1 333.479 4.262 20 30 EIEDMO CC[C@@H](C)Oc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000611254314 1045267191 /nfs/dbraw/zinc/26/71/91/1045267191.db2.gz BXVHXUBMSIAVRC-MRXNPFEDSA-N 1 1 338.451 4.376 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1F ZINC000611266422 1045268688 /nfs/dbraw/zinc/26/86/88/1045268688.db2.gz DXGWVUCLKNGHMP-INIZCTEOSA-N 1 1 335.382 4.218 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374393 1045290342 /nfs/dbraw/zinc/29/03/42/1045290342.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374393 1045290350 /nfs/dbraw/zinc/29/03/50/1045290350.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 1 1 348.425 4.262 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374393 1045290358 /nfs/dbraw/zinc/29/03/58/1045290358.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 1 1 348.425 4.262 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000611390632 1045296488 /nfs/dbraw/zinc/29/64/88/1045296488.db2.gz MIBOPGYRSZIBCF-DHIUTWEWSA-N 1 1 345.490 4.362 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2\COc3ccc(F)cc3C2=O)c2ccccn21 ZINC000762605766 1045313171 /nfs/dbraw/zinc/31/31/71/1045313171.db2.gz YXQMOCOTUQJYCU-UKTHLTGXSA-N 1 1 336.366 4.256 20 30 EIEDMO COc1cccc2c1OC/C(=C/c1[nH+]c(C(C)C)n3ccccc13)C2=O ZINC000762605753 1045313491 /nfs/dbraw/zinc/31/34/91/1045313491.db2.gz YTGLUXLKPPXLJN-KAMYIIQDSA-N 1 1 348.402 4.125 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236690020 1045363157 /nfs/dbraw/zinc/36/31/57/1045363157.db2.gz BHUHNLWKLMIUKG-UHFFFAOYSA-N 1 1 346.824 4.489 20 30 EIEDMO C[N@H+](Cc1cnc(-c2cccs2)s1)Cc1ccc(C#N)cc1 ZINC000131188862 1045468279 /nfs/dbraw/zinc/46/82/79/1045468279.db2.gz PIHBPXXQGMVRLV-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO C[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1ccc(C#N)cc1 ZINC000131188862 1045468282 /nfs/dbraw/zinc/46/82/82/1045468282.db2.gz PIHBPXXQGMVRLV-UHFFFAOYSA-N 1 1 325.462 4.375 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c(F)c1 ZINC000193876646 1045533858 /nfs/dbraw/zinc/53/38/58/1045533858.db2.gz VFZDZJVRLVOPMC-UHFFFAOYSA-N 1 1 346.352 4.019 20 30 EIEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000533559693 1045576620 /nfs/dbraw/zinc/57/66/20/1045576620.db2.gz AVBXCIXALBRHFF-INIZCTEOSA-N 1 1 335.382 4.218 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000246299815 1045653298 /nfs/dbraw/zinc/65/32/98/1045653298.db2.gz WJKWXUCTUDGOPF-BZUAXINKSA-N 1 1 345.512 4.282 20 30 EIEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000767902006 1045677331 /nfs/dbraw/zinc/67/73/31/1045677331.db2.gz VLPWLHAMAVOMDZ-OAQYLSRUSA-N 1 1 336.479 4.352 20 30 EIEDMO Cc1cc2ncn(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)c2cc1C ZINC000767987255 1045693552 /nfs/dbraw/zinc/69/35/52/1045693552.db2.gz XUPJYBADMNSGDZ-UHFFFAOYSA-N 1 1 342.446 4.272 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000768256329 1045770016 /nfs/dbraw/zinc/77/00/16/1045770016.db2.gz CIZDZEZOPSKUEQ-UHFFFAOYSA-N 1 1 330.431 4.125 20 30 EIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763232645 1045785984 /nfs/dbraw/zinc/78/59/84/1045785984.db2.gz AEJVUCPWTRUHLZ-GOSISDBHSA-N 1 1 349.261 4.421 20 30 EIEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccn2)cc1 ZINC000791639882 1045789981 /nfs/dbraw/zinc/78/99/81/1045789981.db2.gz OVUQWNRIWGPVFV-QFIPXVFZSA-N 1 1 343.430 4.172 20 30 EIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768470795 1045812558 /nfs/dbraw/zinc/81/25/58/1045812558.db2.gz KAEXLIXMILQGOS-KRWDZBQOSA-N 1 1 338.451 4.398 20 30 EIEDMO C=CC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C(C)C ZINC000768547043 1045822202 /nfs/dbraw/zinc/82/22/02/1045822202.db2.gz HHKQYFNFHFKQQW-UHFFFAOYSA-N 1 1 334.261 4.236 20 30 EIEDMO C=CC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C(C)C ZINC000768547043 1045822197 /nfs/dbraw/zinc/82/21/97/1045822197.db2.gz HHKQYFNFHFKQQW-UHFFFAOYSA-N 1 1 334.261 4.236 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768756768 1045837197 /nfs/dbraw/zinc/83/71/97/1045837197.db2.gz BYXFUDXEOLLTTP-UHFFFAOYSA-N 1 1 327.497 4.163 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000792179978 1045875059 /nfs/dbraw/zinc/87/50/59/1045875059.db2.gz JWTSXWNWILNEEE-UHFFFAOYSA-N 1 1 339.870 4.248 20 30 EIEDMO O[C@@H](C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239645 1045880466 /nfs/dbraw/zinc/88/04/66/1045880466.db2.gz CYBOKXMQNOEXSX-PMACEKPBSA-N 1 1 339.504 4.468 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc2ccccc21 ZINC000769188858 1045892309 /nfs/dbraw/zinc/89/23/09/1045892309.db2.gz PWWNSQBLIULLHG-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc2ccccc21 ZINC000769188858 1045892304 /nfs/dbraw/zinc/89/23/04/1045892304.db2.gz PWWNSQBLIULLHG-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187536 1045919180 /nfs/dbraw/zinc/91/91/80/1045919180.db2.gz ZIXGUUHTWJXGPO-JOCHJYFZSA-N 1 1 334.463 4.233 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193650 1045921844 /nfs/dbraw/zinc/92/18/44/1045921844.db2.gz INMZARCSSUAOSI-WBVHZDCISA-N 1 1 327.390 4.212 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193646 1045924060 /nfs/dbraw/zinc/92/40/60/1045924060.db2.gz INMZARCSSUAOSI-NVXWUHKLSA-N 1 1 327.390 4.212 20 30 EIEDMO N#Cc1ccc(CNc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)s1 ZINC001170200725 1045938680 /nfs/dbraw/zinc/93/86/80/1045938680.db2.gz YAOATZVORQKLBH-UHFFFAOYSA-N 1 1 349.419 4.271 20 30 EIEDMO N#Cc1cnccc1C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC001170254411 1045975586 /nfs/dbraw/zinc/97/55/86/1045975586.db2.gz RYNIHQNADAZIQG-UHFFFAOYSA-N 1 1 345.471 4.184 20 30 EIEDMO N#Cc1cnccc1C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC001170254411 1045975600 /nfs/dbraw/zinc/97/56/00/1045975600.db2.gz RYNIHQNADAZIQG-UHFFFAOYSA-N 1 1 345.471 4.184 20 30 EIEDMO Cc1cc(NCC(C)(C)S)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001170302034 1045982125 /nfs/dbraw/zinc/98/21/25/1045982125.db2.gz QGYSKIHJRMTQET-UHFFFAOYSA-N 1 1 341.524 4.069 20 30 EIEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497484 1045997288 /nfs/dbraw/zinc/99/72/88/1045997288.db2.gz FMMRQSCNAFZCGA-PGRDOPGGSA-N 1 1 333.479 4.414 20 30 EIEDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000769548688 1046015347 /nfs/dbraw/zinc/01/53/47/1046015347.db2.gz JMQYVMMPAONVCD-ICSRJNTNSA-N 1 1 337.442 4.163 20 30 EIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000769548688 1046015362 /nfs/dbraw/zinc/01/53/62/1046015362.db2.gz JMQYVMMPAONVCD-ICSRJNTNSA-N 1 1 337.442 4.163 20 30 EIEDMO C[C@]12CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]1C2(Cl)Cl ZINC000792896406 1046096062 /nfs/dbraw/zinc/09/60/62/1046096062.db2.gz CMHHXXPONBGDRT-CABCVRRESA-N 1 1 328.670 4.207 20 30 EIEDMO C[C@]12CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]1C2(Cl)Cl ZINC000792896406 1046096079 /nfs/dbraw/zinc/09/60/79/1046096079.db2.gz CMHHXXPONBGDRT-CABCVRRESA-N 1 1 328.670 4.207 20 30 EIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763413399 1046146270 /nfs/dbraw/zinc/14/62/70/1046146270.db2.gz KVEPJIPOHBVNEN-XPGWFJOJSA-N 1 1 338.451 4.220 20 30 EIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000770291970 1046174225 /nfs/dbraw/zinc/17/42/25/1046174225.db2.gz NZBBCYYFLRSRFZ-MSOLQXFVSA-N 1 1 343.492 4.401 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000192085384 1046180210 /nfs/dbraw/zinc/18/02/10/1046180210.db2.gz VIRTUJABSOXMEV-INIZCTEOSA-N 1 1 335.382 4.218 20 30 EIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770353426 1046191166 /nfs/dbraw/zinc/19/11/66/1046191166.db2.gz SHHMRCKNVAYSPF-AYOQOUSVSA-N 1 1 330.472 4.003 20 30 EIEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770710809 1046258511 /nfs/dbraw/zinc/25/85/11/1046258511.db2.gz MKCKQGXUBTZUDJ-LJQANCHMSA-N 1 1 347.405 4.400 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793618088 1046313031 /nfs/dbraw/zinc/31/30/31/1046313031.db2.gz ZRNLSAGENAOIHJ-SJORKVTESA-N 1 1 338.278 4.104 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793617844 1046314174 /nfs/dbraw/zinc/31/41/74/1046314174.db2.gz SZEPQWXNVFCWIB-CVEARBPZSA-N 1 1 326.267 4.267 20 30 EIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282068253 1046314892 /nfs/dbraw/zinc/31/48/92/1046314892.db2.gz SSMJQWVIVVPUBE-FUHWJXTLSA-N 1 1 330.447 4.104 20 30 EIEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1C ZINC000126865605 1046576948 /nfs/dbraw/zinc/57/69/48/1046576948.db2.gz CPZHOYDXIKDMIE-MRXNPFEDSA-N 1 1 342.512 4.016 20 30 EIEDMO C=C(C)[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000772188359 1046580595 /nfs/dbraw/zinc/58/05/95/1046580595.db2.gz ZRTCFZYNUFOILT-QGZVFWFLSA-N 1 1 330.382 4.084 20 30 EIEDMO C=CCCC[N@H+](C)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000536681770 1046647592 /nfs/dbraw/zinc/64/75/92/1046647592.db2.gz XWCHUHPLCMOBOK-UHFFFAOYSA-N 1 1 342.277 4.254 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC(=O)C#Cc1ccccc1)C1CCCCC1 ZINC000747202913 1046680475 /nfs/dbraw/zinc/68/04/75/1046680475.db2.gz FQDRZNMADRWOSI-UHFFFAOYSA-N 1 1 346.474 4.441 20 30 EIEDMO C#CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCc2ccccc21 ZINC000772598346 1046682145 /nfs/dbraw/zinc/68/21/45/1046682145.db2.gz LBBAZLJPXLQFLA-HSZRJFAPSA-N 1 1 344.458 4.492 20 30 EIEDMO N#CCSCCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000080625766 1046734447 /nfs/dbraw/zinc/73/44/47/1046734447.db2.gz UYGREYLMZCBXDM-MRXNPFEDSA-N 1 1 334.535 4.404 20 30 EIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000497407395 1046794282 /nfs/dbraw/zinc/79/42/82/1046794282.db2.gz LUSLLLQVCHOVMO-SFHVURJKSA-N 1 1 341.480 4.277 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C ZINC000917166989 1046794328 /nfs/dbraw/zinc/79/43/28/1046794328.db2.gz MUFZMVOGIOEEGE-UHFFFAOYSA-N 1 1 335.662 4.482 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C ZINC000917166989 1046794343 /nfs/dbraw/zinc/79/43/43/1046794343.db2.gz MUFZMVOGIOEEGE-UHFFFAOYSA-N 1 1 335.662 4.482 20 30 EIEDMO CCCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786337947 1046831636 /nfs/dbraw/zinc/83/16/36/1046831636.db2.gz VIQBTBOLUCCQQQ-UHFFFAOYSA-N 1 1 337.370 4.332 20 30 EIEDMO CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593519 1046876783 /nfs/dbraw/zinc/87/67/83/1046876783.db2.gz DCNUCDKZQKSJQH-SFHVURJKSA-N 1 1 349.478 4.383 20 30 EIEDMO CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593519 1046876790 /nfs/dbraw/zinc/87/67/90/1046876790.db2.gz DCNUCDKZQKSJQH-SFHVURJKSA-N 1 1 349.478 4.383 20 30 EIEDMO CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497622051 1046890055 /nfs/dbraw/zinc/89/00/55/1046890055.db2.gz ZXJZUPRGNMGILE-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497622051 1046890057 /nfs/dbraw/zinc/89/00/57/1046890057.db2.gz ZXJZUPRGNMGILE-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO N#Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788119842 1047108310 /nfs/dbraw/zinc/10/83/10/1047108310.db2.gz ONXHFYFUKPLYDN-ZWKOTPCHSA-N 1 1 346.430 4.009 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000806177161 1047163795 /nfs/dbraw/zinc/16/37/95/1047163795.db2.gz VERVVQFXOKZZIA-QZTJIDSGSA-N 1 1 345.446 4.296 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000788751768 1047285710 /nfs/dbraw/zinc/28/57/10/1047285710.db2.gz AONLAYRFPZGHIO-VOJFVSQTSA-N 1 1 347.365 4.423 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)cc1 ZINC000789141276 1047377479 /nfs/dbraw/zinc/37/74/79/1047377479.db2.gz CGJRIZSCKWYSPQ-RMKNXTFCSA-N 1 1 342.402 4.033 20 30 EIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325046497 1047405840 /nfs/dbraw/zinc/40/58/40/1047405840.db2.gz RJAQJLPDCLOAPN-CQSZACIVSA-N 1 1 341.842 4.233 20 30 EIEDMO CCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000026465490 1047420233 /nfs/dbraw/zinc/42/02/33/1047420233.db2.gz HKPXCWDAFYAJRV-UHFFFAOYSA-N 1 1 344.503 4.152 20 30 EIEDMO C=CCCC1(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476193709 1047420862 /nfs/dbraw/zinc/42/08/62/1047420862.db2.gz PQHQGQDTVNIWFH-HXUWFJFHSA-N 1 1 340.511 4.103 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(-c3ccccc3)cs2)n1 ZINC000789759147 1047468706 /nfs/dbraw/zinc/46/87/06/1047468706.db2.gz OTAUFJVIWAZDNL-UHFFFAOYSA-N 1 1 335.476 4.267 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(-c3ccccc3)cs2)n1 ZINC000789759147 1047468709 /nfs/dbraw/zinc/46/87/09/1047468709.db2.gz OTAUFJVIWAZDNL-UHFFFAOYSA-N 1 1 335.476 4.267 20 30 EIEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc1Cl ZINC000790174278 1047530247 /nfs/dbraw/zinc/53/02/47/1047530247.db2.gz RFAACWJQLGGCON-UHFFFAOYSA-N 1 1 332.835 4.034 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154767180 1047539448 /nfs/dbraw/zinc/53/94/48/1047539448.db2.gz PMPDRXGZKUOZSN-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154767180 1047539455 /nfs/dbraw/zinc/53/94/55/1047539455.db2.gz PMPDRXGZKUOZSN-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nccnc1C1CCC1 ZINC000807992056 1047566746 /nfs/dbraw/zinc/56/67/46/1047566746.db2.gz YYNQMSOVQRDZLM-INIZCTEOSA-N 1 1 349.482 4.054 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918736477 1047626091 /nfs/dbraw/zinc/62/60/91/1047626091.db2.gz OHHVCMMPEVJMJK-MRXNPFEDSA-N 1 1 341.398 4.489 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000130400013 1047704959 /nfs/dbraw/zinc/70/49/59/1047704959.db2.gz DPEBTXPTGIUNOC-KRWDZBQOSA-N 1 1 334.448 4.340 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Br)cc3F)CC2)c1 ZINC000556408402 1047738947 /nfs/dbraw/zinc/73/89/47/1047738947.db2.gz ZHILAFWQQSYHTR-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO CC(C)c1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194965732 1047893336 /nfs/dbraw/zinc/89/33/36/1047893336.db2.gz BAMMLTLKFFFCFH-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO CC(C)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194965732 1047893338 /nfs/dbraw/zinc/89/33/38/1047893338.db2.gz BAMMLTLKFFFCFH-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO CC(C)CC[N@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072692525 1048049613 /nfs/dbraw/zinc/04/96/13/1048049613.db2.gz LLJPZCDKMFIBQQ-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO CC(C)CC[N@@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072692525 1048049625 /nfs/dbraw/zinc/04/96/25/1048049625.db2.gz LLJPZCDKMFIBQQ-UHFFFAOYSA-N 1 1 346.862 4.194 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001143790369 1048202158 /nfs/dbraw/zinc/20/21/58/1048202158.db2.gz COKHHOHPXHBYSN-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001143790369 1048202178 /nfs/dbraw/zinc/20/21/78/1048202178.db2.gz COKHHOHPXHBYSN-JTQLQIEISA-N 1 1 345.258 4.499 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1F ZINC001143790440 1048203264 /nfs/dbraw/zinc/20/32/64/1048203264.db2.gz FKKMPCXXQWCJTE-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1F ZINC001143790440 1048203273 /nfs/dbraw/zinc/20/32/73/1048203273.db2.gz FKKMPCXXQWCJTE-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369969 1048295987 /nfs/dbraw/zinc/29/59/87/1048295987.db2.gz PBANUFPJFKXMSN-SGTLLEGYSA-N 1 1 332.806 4.077 20 30 EIEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C2CC2)cc1 ZINC000815027274 1048308979 /nfs/dbraw/zinc/30/89/79/1048308979.db2.gz BKHCZBXFWKSKGJ-LJQANCHMSA-N 1 1 332.403 4.002 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000556960564 1048321557 /nfs/dbraw/zinc/32/15/57/1048321557.db2.gz VPQMPDXSRYZNNF-UXHICEINSA-N 1 1 348.494 4.474 20 30 EIEDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCS ZINC001143985412 1048329506 /nfs/dbraw/zinc/32/95/06/1048329506.db2.gz MDSOOKJHNHQJIO-UHFFFAOYSA-N 1 1 339.464 4.021 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141150 1048343375 /nfs/dbraw/zinc/34/33/75/1048343375.db2.gz ZHNGJIZRQIZRED-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141150 1048343391 /nfs/dbraw/zinc/34/33/91/1048343391.db2.gz ZHNGJIZRQIZRED-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141150 1048343411 /nfs/dbraw/zinc/34/34/11/1048343411.db2.gz ZHNGJIZRQIZRED-KEIZBESESA-N 1 1 345.490 4.404 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844474489 1048357913 /nfs/dbraw/zinc/35/79/13/1048357913.db2.gz RNPRQYDZAKQPLA-FKBYEOEOSA-N 1 1 348.446 4.084 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001144084809 1048413944 /nfs/dbraw/zinc/41/39/44/1048413944.db2.gz NQORWEJIRASDOV-KRWDZBQOSA-N 1 1 331.341 4.309 20 30 EIEDMO Cc1cc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)ccc1C#N ZINC000488243773 1048450814 /nfs/dbraw/zinc/45/08/14/1048450814.db2.gz ASZSTZCGMQCLAV-UHFFFAOYSA-N 1 1 339.386 4.367 20 30 EIEDMO C#C[C@H]([NH2+]Cc1cc(OCC)ccc1O)c1ccc(Cl)cc1F ZINC000809698891 1048462112 /nfs/dbraw/zinc/46/21/12/1048462112.db2.gz IQXFOXXLZKTJAS-KRWDZBQOSA-N 1 1 333.790 4.048 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)nc1 ZINC001144166790 1048479044 /nfs/dbraw/zinc/47/90/44/1048479044.db2.gz WGCPBEJMJQUUKT-QGZVFWFLSA-N 1 1 347.340 4.189 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1=S ZINC000844758565 1048493791 /nfs/dbraw/zinc/49/37/91/1048493791.db2.gz VIWRTABLODYDBP-INIZCTEOSA-N 1 1 335.423 4.047 20 30 EIEDMO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1=S ZINC000844758565 1048493800 /nfs/dbraw/zinc/49/38/00/1048493800.db2.gz VIWRTABLODYDBP-INIZCTEOSA-N 1 1 335.423 4.047 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(CC)c1)[C@H]2CC ZINC001144321267 1048589567 /nfs/dbraw/zinc/58/95/67/1048589567.db2.gz FRFYGHWZIGNLSE-UNMCSNQZSA-N 1 1 340.511 4.171 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001144569007 1048731983 /nfs/dbraw/zinc/73/19/83/1048731983.db2.gz IOEICNRVFWYGTL-DHIUTWEWSA-N 1 1 331.459 4.207 20 30 EIEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001144569022 1048732986 /nfs/dbraw/zinc/73/29/86/1048732986.db2.gz IOEICNRVFWYGTL-XZOQPEGZSA-N 1 1 331.459 4.207 20 30 EIEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(F)cc1Br ZINC001144590675 1048741865 /nfs/dbraw/zinc/74/18/65/1048741865.db2.gz JULOTVOSENLIJR-UHFFFAOYSA-N 1 1 347.231 4.400 20 30 EIEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)cc1Br ZINC001144590675 1048741876 /nfs/dbraw/zinc/74/18/76/1048741876.db2.gz JULOTVOSENLIJR-UHFFFAOYSA-N 1 1 347.231 4.400 20 30 EIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001135487001 1048747132 /nfs/dbraw/zinc/74/71/32/1048747132.db2.gz NLOYXTNFBXRIGT-HNNXBMFYSA-N 1 1 340.920 4.037 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816551554 1048830773 /nfs/dbraw/zinc/83/07/73/1048830773.db2.gz GFIXBAGUZFYOSM-AWEZNQCLSA-N 1 1 348.805 4.155 20 30 EIEDMO CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222085 1048859143 /nfs/dbraw/zinc/85/91/43/1048859143.db2.gz CQJYMCGRLJXPGG-WMZHIEFXSA-N 1 1 347.506 4.086 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230711 1048869647 /nfs/dbraw/zinc/86/96/47/1048869647.db2.gz XSDIQXUMSKBWTN-GCJKJVERSA-N 1 1 348.490 4.453 20 30 EIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC2(CC#N)CCC2)c1 ZINC000810858956 1048887184 /nfs/dbraw/zinc/88/71/84/1048887184.db2.gz SNGJNTVUSXDDKI-UHFFFAOYSA-N 1 1 348.446 4.312 20 30 EIEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000747659601 1048899293 /nfs/dbraw/zinc/89/92/93/1048899293.db2.gz HYQMRVNJRPLQJB-LBPRGKRZSA-N 1 1 337.286 4.384 20 30 EIEDMO C=C(Br)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000747659601 1048899295 /nfs/dbraw/zinc/89/92/95/1048899295.db2.gz HYQMRVNJRPLQJB-LBPRGKRZSA-N 1 1 337.286 4.384 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H](C)c2csc(C)n2)cc(OC)c1OC ZINC000772956697 1048921664 /nfs/dbraw/zinc/92/16/64/1048921664.db2.gz XDTLUSNAEGKHPC-GFCCVEGCSA-N 1 1 332.469 4.048 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001170623458 1048933963 /nfs/dbraw/zinc/93/39/63/1048933963.db2.gz QLRIVMFTNXCWAH-UHFFFAOYSA-N 1 1 344.503 4.151 20 30 EIEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021994 1048980814 /nfs/dbraw/zinc/98/08/14/1048980814.db2.gz DQOOXRMBKXTRKL-QWHCGFSZSA-N 1 1 349.356 4.162 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021994 1048980823 /nfs/dbraw/zinc/98/08/23/1048980823.db2.gz DQOOXRMBKXTRKL-QWHCGFSZSA-N 1 1 349.356 4.162 20 30 EIEDMO C=CCCC1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001147172125 1049094724 /nfs/dbraw/zinc/09/47/24/1049094724.db2.gz IMNPFCNNAFDRQJ-LJQANCHMSA-N 1 1 332.532 4.426 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccc(Cl)cc1 ZINC000811516703 1049103721 /nfs/dbraw/zinc/10/37/21/1049103721.db2.gz UAFQTDKHKOUZFC-KRWDZBQOSA-N 1 1 341.867 4.266 20 30 EIEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001171307663 1049168878 /nfs/dbraw/zinc/16/88/78/1049168878.db2.gz NPCRKXDLHYMSBU-IAGOWNOFSA-N 1 1 334.504 4.293 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2C(C)C)c1 ZINC000609767207 1049309725 /nfs/dbraw/zinc/30/97/25/1049309725.db2.gz TTYVZJOSMRQCEY-FQEVSTJZSA-N 1 1 341.499 4.061 20 30 EIEDMO N#Cc1ccc([C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)cc1 ZINC000819433043 1049327177 /nfs/dbraw/zinc/32/71/77/1049327177.db2.gz HLJNABKPEUVBFV-NRFANRHFSA-N 1 1 335.451 4.448 20 30 EIEDMO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823558 1049343891 /nfs/dbraw/zinc/34/38/91/1049343891.db2.gz QHRYNNIMXMZNJB-MSOLQXFVSA-N 1 1 349.478 4.007 20 30 EIEDMO C=C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1 ZINC001136248587 1049355524 /nfs/dbraw/zinc/35/55/24/1049355524.db2.gz TYHCYAHZAGXOPS-OAQYLSRUSA-N 1 1 336.479 4.113 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC(=N)c2cccnc2Cl)cc1 ZINC001171355753 1049504897 /nfs/dbraw/zinc/50/48/97/1049504897.db2.gz DIWULWRFRQYPFB-KRWDZBQOSA-N 1 1 340.858 4.495 20 30 EIEDMO CCc1noc(C)c1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000773036255 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FTGWHQDMVNFFFL-OXJNMPFZSA-N 1 1 327.855 4.136 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC001136596609 1049772637 /nfs/dbraw/zinc/77/26/37/1049772637.db2.gz NBRZWKGWAVBKSL-HXUWFJFHSA-N 1 1 342.483 4.377 20 30 EIEDMO CCCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ncsc2C1 ZINC001171724592 1049785332 /nfs/dbraw/zinc/78/53/32/1049785332.db2.gz WLDXCSSTYGKCBG-GOSISDBHSA-N 1 1 342.483 4.293 20 30 EIEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000822956958 1049811466 /nfs/dbraw/zinc/81/14/66/1049811466.db2.gz SDYNNHVJFDFUKM-QGZVFWFLSA-N 1 1 340.427 4.142 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846757 1049812807 /nfs/dbraw/zinc/81/28/07/1049812807.db2.gz DOSAOQCLZPPOPA-GFCCVEGCSA-N 1 1 335.245 4.378 20 30 EIEDMO CC(C)[C@H](c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823195280 1049829748 /nfs/dbraw/zinc/82/97/48/1049829748.db2.gz UAUBSGFIHCXCSY-CABCVRRESA-N 1 1 332.835 4.205 20 30 EIEDMO C#Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172073600 1049844041 /nfs/dbraw/zinc/84/40/41/1049844041.db2.gz SADLUBRYZHTBSG-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172073600 1049844044 /nfs/dbraw/zinc/84/40/44/1049844044.db2.gz SADLUBRYZHTBSG-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172073600 1049844045 /nfs/dbraw/zinc/84/40/45/1049844045.db2.gz SADLUBRYZHTBSG-BKFWDETESA-N 1 1 344.502 4.343 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180202590 1049861150 /nfs/dbraw/zinc/86/11/50/1049861150.db2.gz HUYAGBIXLVAWSS-IEBWSBKVSA-N 1 1 335.451 4.054 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000823619101 1049863249 /nfs/dbraw/zinc/86/32/49/1049863249.db2.gz XGRIGRQCQCFUCK-CQSZACIVSA-N 1 1 339.826 4.307 20 30 EIEDMO C=CCCC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001136755519 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329.259 4.392 20 30 EIEDMO C=CCn1ccc2c1nc[nH+]c2NCCc1ccccc1C(F)(F)F ZINC001171039434 1049890771 /nfs/dbraw/zinc/89/07/71/1049890771.db2.gz RIHFNCSSFXVYCI-UHFFFAOYSA-N 1 1 346.356 4.291 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001172356514 1049894433 /nfs/dbraw/zinc/89/44/33/1049894433.db2.gz WJGMBKNFPIRYSK-OTWHNJEPSA-N 1 1 346.515 4.423 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494961 1049921682 /nfs/dbraw/zinc/92/16/82/1049921682.db2.gz AFMDPHUYGXJIBI-YLJYHZDGSA-N 1 1 349.519 4.324 20 30 EIEDMO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)[C@H](C)CCCC#N ZINC001172497529 1049922177 /nfs/dbraw/zinc/92/21/77/1049922177.db2.gz CLMAABNSWYRWON-MJGOQNOKSA-N 1 1 330.472 4.159 20 30 EIEDMO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172498360 1049922990 /nfs/dbraw/zinc/92/29/90/1049922990.db2.gz MCEYKAPWRPKMFS-QUCCMNQESA-N 1 1 343.515 4.064 20 30 EIEDMO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1[C@@H](C)CCCC#N 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1050285680 /nfs/dbraw/zinc/28/56/80/1050285680.db2.gz ZUQLYKMXSWMLKR-UHFFFAOYSA-N 1 1 327.509 4.218 20 30 EIEDMO C=CCc1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc(OC)c1O ZINC000091901550 1050288919 /nfs/dbraw/zinc/28/89/19/1050288919.db2.gz BZHXQRDIMBHSKB-UHFFFAOYSA-N 1 1 343.389 4.294 20 30 EIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833585 1050309673 /nfs/dbraw/zinc/30/96/73/1050309673.db2.gz AVCBTHYGMGVCNW-GOSISDBHSA-N 1 1 341.543 4.478 20 30 EIEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833585 1050309683 /nfs/dbraw/zinc/30/96/83/1050309683.db2.gz AVCBTHYGMGVCNW-GOSISDBHSA-N 1 1 341.543 4.478 20 30 EIEDMO CO[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000618305221 1050334738 /nfs/dbraw/zinc/33/47/38/1050334738.db2.gz IYZZJGGECDXOFB-QFIPXVFZSA-N 1 1 348.490 4.387 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327849 1050343947 /nfs/dbraw/zinc/34/39/47/1050343947.db2.gz ODJLRJGJPLFYOK-MRXNPFEDSA-N 1 1 329.400 4.303 20 30 EIEDMO N#Cc1ccc2c(c1)CC[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173199952 1050344388 /nfs/dbraw/zinc/34/43/88/1050344388.db2.gz LCSVJKSXAOWJGR-UHFFFAOYSA-N 1 1 332.447 4.307 20 30 EIEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(Br)c1 ZINC001236858047 1050383663 /nfs/dbraw/zinc/38/36/63/1050383663.db2.gz UHVDOKJBXSUEBT-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CCCCCCCCC[C@H](CCC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001173284722 1050413202 /nfs/dbraw/zinc/41/32/02/1050413202.db2.gz IGICLLXKRVRABT-FQEVSTJZSA-N 1 1 337.596 4.227 20 30 EIEDMO C=CCOC1CCC([N@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001173322294 1050415885 /nfs/dbraw/zinc/41/58/85/1050415885.db2.gz AOGXQMFGBNJFFE-UHFFFAOYSA-N 1 1 327.468 4.298 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173327783 1050420550 /nfs/dbraw/zinc/42/05/50/1050420550.db2.gz RREVDYNTAOQWHR-ACBHZAAOSA-N 1 1 335.488 4.429 20 30 EIEDMO N#CCC1CCC(N2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001173332057 1050422206 /nfs/dbraw/zinc/42/22/06/1050422206.db2.gz HBUGIGYHBNBADP-UHFFFAOYSA-N 1 1 331.891 4.062 20 30 EIEDMO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173332280 1050422779 /nfs/dbraw/zinc/42/27/79/1050422779.db2.gz YRVMTWBZKMPAQP-PBHCIXSXSA-N 1 1 349.519 4.084 20 30 EIEDMO CC(C)[C@@H]1C[N@H+](C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173335889 1050424750 /nfs/dbraw/zinc/42/47/50/1050424750.db2.gz GEXCXEUHWJMFFD-ABHNRTSZSA-N 1 1 349.519 4.036 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173336817 1050424861 /nfs/dbraw/zinc/42/48/61/1050424861.db2.gz NACSGEYYXCRQRL-UHYCVJNDSA-N 1 1 349.519 4.180 20 30 EIEDMO COC(=O)[C@H]1CC[N@@H+](C2CCC(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC001173336751 1050425797 /nfs/dbraw/zinc/42/57/97/1050425797.db2.gz KEUXMBTXKPJPPQ-YSNUMNBNSA-N 1 1 340.467 4.085 20 30 EIEDMO N#CCC1CCC([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173337324 1050427970 /nfs/dbraw/zinc/42/79/70/1050427970.db2.gz HKHPMPIJGDVCSH-KITAHSCOSA-N 1 1 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1050499814 /nfs/dbraw/zinc/49/98/14/1050499814.db2.gz SETXKCIAUKUHDT-UHFFFAOYSA-N 1 1 337.467 4.017 20 30 EIEDMO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658919 1050519910 /nfs/dbraw/zinc/51/99/10/1050519910.db2.gz SLCMITGOWQSIPY-SJLPKXTDSA-N 1 1 348.874 4.178 20 30 EIEDMO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646282 1050533715 /nfs/dbraw/zinc/53/37/15/1050533715.db2.gz YVKOUFBRBOBWOU-IEBWSBKVSA-N 1 1 334.504 4.437 20 30 EIEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711633 1050552678 /nfs/dbraw/zinc/55/26/78/1050552678.db2.gz FNGONXOZPAADBX-UGKGYDQZSA-N 1 1 346.474 4.358 20 30 EIEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711633 1050552694 /nfs/dbraw/zinc/55/26/94/1050552694.db2.gz FNGONXOZPAADBX-UGKGYDQZSA-N 1 1 346.474 4.358 20 30 EIEDMO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)n1 ZINC001179681887 1050758177 /nfs/dbraw/zinc/75/81/77/1050758177.db2.gz SNMBKYVCDNGLBS-UHFFFAOYSA-N 1 1 329.425 4.172 20 30 EIEDMO C=CC[N@H+](CCC[C@H]1CCO1)Cc1cc(Br)ccc1F ZINC001179858174 1050794629 /nfs/dbraw/zinc/79/46/29/1050794629.db2.gz ALGBXFTYZBIPBO-HNNXBMFYSA-N 1 1 342.252 4.145 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000619534813 1050814111 /nfs/dbraw/zinc/81/41/11/1050814111.db2.gz BCYUMXGCIQJFJR-INIZCTEOSA-N 1 1 334.316 4.282 20 30 EIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620247 1050841921 /nfs/dbraw/zinc/84/19/21/1050841921.db2.gz MNAGSGLHQXNCOP-LJQANCHMSA-N 1 1 342.483 4.323 20 30 EIEDMO Clc1ccc(O[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1Cl ZINC001180225177 1050918919 /nfs/dbraw/zinc/91/89/19/1050918919.db2.gz PCIBXHQZWJGRKV-QGZVFWFLSA-N 1 1 346.257 4.498 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC1CC1 ZINC001180317719 1050950192 /nfs/dbraw/zinc/95/01/92/1050950192.db2.gz MSYKWQMJSPYHRB-UHFFFAOYSA-N 1 1 348.446 4.273 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)c(Br)cn1 ZINC001180279541 1050953866 /nfs/dbraw/zinc/95/38/66/1050953866.db2.gz BMPCJXGEOZJXIF-UHFFFAOYSA-N 1 1 345.284 4.383 20 30 EIEDMO C#CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296816 1050959111 /nfs/dbraw/zinc/95/91/11/1050959111.db2.gz MBZRDBRSXQPKEX-FDDCHVKYSA-N 1 1 349.474 4.223 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(Br)c1F ZINC001180331983 1050970228 /nfs/dbraw/zinc/97/02/28/1050970228.db2.gz MBXGQLQTYFCCFJ-UHFFFAOYSA-N 1 1 338.220 4.412 20 30 EIEDMO COc1cc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)ccc1C#N ZINC001180404244 1050982703 /nfs/dbraw/zinc/98/27/03/1050982703.db2.gz SRHPTUDOFWANIL-IFXJQAMLSA-N 1 1 336.435 4.448 20 30 EIEDMO COc1cc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)ccc1C#N ZINC001180404244 1050982713 /nfs/dbraw/zinc/98/27/13/1050982713.db2.gz SRHPTUDOFWANIL-IFXJQAMLSA-N 1 1 336.435 4.448 20 30 EIEDMO Cc1c(Cl)c(C#N)ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174448687 1051002545 /nfs/dbraw/zinc/00/25/45/1051002545.db2.gz RTTUMAQWGDUMJR-UHFFFAOYSA-N 1 1 341.842 4.096 20 30 EIEDMO CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001174572959 1051060109 /nfs/dbraw/zinc/06/01/09/1051060109.db2.gz CABOPWGWDZDQBY-WMZHIEFXSA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572959 1051060117 /nfs/dbraw/zinc/06/01/17/1051060117.db2.gz CABOPWGWDZDQBY-WMZHIEFXSA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572959 1051060121 /nfs/dbraw/zinc/06/01/21/1051060121.db2.gz CABOPWGWDZDQBY-WMZHIEFXSA-N 1 1 347.506 4.462 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000620310353 1051100529 /nfs/dbraw/zinc/10/05/29/1051100529.db2.gz MVGPEFUQHUIIJW-BGYRXZFFSA-N 1 1 326.484 4.240 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001174705597 1051140517 /nfs/dbraw/zinc/14/05/17/1051140517.db2.gz XEGOIAKQFKSEKM-HNNXBMFYSA-N 1 1 333.273 4.333 20 30 EIEDMO CCCCCCC[C@@H](C)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001181122457 1051160843 /nfs/dbraw/zinc/16/08/43/1051160843.db2.gz LJCHAQFJONHSLI-GOSISDBHSA-N 1 1 331.504 4.035 20 30 EIEDMO CC[C@](C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000775386399 1051182457 /nfs/dbraw/zinc/18/24/57/1051182457.db2.gz DKTNVUVZKAWCJT-FQEVSTJZSA-N 1 1 332.407 4.023 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001190502766 1051195901 /nfs/dbraw/zinc/19/59/01/1051195901.db2.gz DJHKJLADWBDXCC-UHFFFAOYSA-N 1 1 346.902 4.072 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001190582341 1051224711 /nfs/dbraw/zinc/22/47/11/1051224711.db2.gz WLOGVYWEVNURQO-FQEVSTJZSA-N 1 1 335.451 4.360 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C(C)C ZINC001190589834 1051228877 /nfs/dbraw/zinc/22/88/77/1051228877.db2.gz UATQMPXLVVYSOT-UHFFFAOYSA-N 1 1 349.478 4.216 20 30 EIEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001174891793 1051232185 /nfs/dbraw/zinc/23/21/85/1051232185.db2.gz WNTHQHQINBFTLM-NSHDSACASA-N 1 1 346.780 4.195 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccccc1 ZINC000775401331 1051238793 /nfs/dbraw/zinc/23/87/93/1051238793.db2.gz ZJTULQOTZRBSMO-IBGZPJMESA-N 1 1 338.407 4.236 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001190708770 1051250008 /nfs/dbraw/zinc/25/00/08/1051250008.db2.gz VLIBYQYUDLKGMY-OAHLLOKOSA-N 1 1 326.371 4.239 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001190708770 1051250016 /nfs/dbraw/zinc/25/00/16/1051250016.db2.gz VLIBYQYUDLKGMY-OAHLLOKOSA-N 1 1 326.371 4.239 20 30 EIEDMO CO[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001175062898 1051314877 /nfs/dbraw/zinc/31/48/77/1051314877.db2.gz VOKDLWZJNATYDF-FQEVSTJZSA-N 1 1 340.854 4.152 20 30 EIEDMO CCCCC[N@@H+](C)CCC(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001181865491 1051331538 /nfs/dbraw/zinc/33/15/38/1051331538.db2.gz VLOPGQPFOBNSTF-UHFFFAOYSA-N 1 1 341.377 4.028 20 30 EIEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001181999130 1051369204 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ZINC001175524753 1051651164 /nfs/dbraw/zinc/65/11/64/1051651164.db2.gz XDYBWHRQBJFUNI-UHFFFAOYSA-N 1 1 331.419 4.196 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001182796038 1051699789 /nfs/dbraw/zinc/69/97/89/1051699789.db2.gz OLZXKCUXXDCXPD-KRWDZBQOSA-N 1 1 338.451 4.160 20 30 EIEDMO C=CCCCCCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001182800874 1051702128 /nfs/dbraw/zinc/70/21/28/1051702128.db2.gz VPOQEAZPBHIGOA-HXUWFJFHSA-N 1 1 328.500 4.314 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000774565584 1051772611 /nfs/dbraw/zinc/77/26/11/1051772611.db2.gz LLOHTFOVOARKMQ-AUUYWEPGSA-N 1 1 328.843 4.328 20 30 EIEDMO C=C(Br)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC001192791568 1051817749 /nfs/dbraw/zinc/81/77/49/1051817749.db2.gz MQEWJCKLOFTHEH-KRWDZBQOSA-N 1 1 332.241 4.305 20 30 EIEDMO CC(C)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c(C#N)c1 ZINC001175860240 1051823996 /nfs/dbraw/zinc/82/39/96/1051823996.db2.gz QIHIYPCXTRAUFP-UHFFFAOYSA-N 1 1 335.451 4.257 20 30 EIEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC001193209358 1051885398 /nfs/dbraw/zinc/88/53/98/1051885398.db2.gz FXBSNBKLEURSAV-OAQYLSRUSA-N 1 1 339.527 4.447 20 30 EIEDMO CC[C@@H]1CN(CCCCC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001193209358 1051885400 /nfs/dbraw/zinc/88/54/00/1051885400.db2.gz FXBSNBKLEURSAV-OAQYLSRUSA-N 1 1 339.527 4.447 20 30 EIEDMO CC[C@@H]1CN(CCCCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001193209358 1051885408 /nfs/dbraw/zinc/88/54/08/1051885408.db2.gz FXBSNBKLEURSAV-OAQYLSRUSA-N 1 1 339.527 4.447 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nccnc2C)C(C)(C)C)cc1 ZINC000621710247 1051913541 /nfs/dbraw/zinc/91/35/41/1051913541.db2.gz YQDPFARYPHLIDF-UHFFFAOYSA-N 1 1 325.456 4.151 20 30 EIEDMO CC(C)[C@H](C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044984 1051944651 /nfs/dbraw/zinc/94/46/51/1051944651.db2.gz GTAJJGDUYHNBIX-VXKWHMMOSA-N 1 1 334.463 4.371 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001193943375 1052044926 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CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001176855716 1052203396 /nfs/dbraw/zinc/20/33/96/1052203396.db2.gz GRYFRVRDXSDYQM-PKOBYXMFSA-N 1 1 326.484 4.126 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001176855713 1052203761 /nfs/dbraw/zinc/20/37/61/1052203761.db2.gz GRYFRVRDXSDYQM-HKUYNNGSSA-N 1 1 326.484 4.126 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccs3)o2)c1 ZINC000075590820 1052353893 /nfs/dbraw/zinc/35/38/93/1052353893.db2.gz RQQZZMIPYMBDSD-HNNXBMFYSA-N 1 1 336.420 4.007 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccs3)o2)c1 ZINC000075590820 1052353898 /nfs/dbraw/zinc/35/38/98/1052353898.db2.gz RQQZZMIPYMBDSD-HNNXBMFYSA-N 1 1 336.420 4.007 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000850137527 1053078580 /nfs/dbraw/zinc/07/85/80/1053078580.db2.gz QBMZTSMSXVCASA-AWEZNQCLSA-N 1 1 334.341 4.075 20 30 EIEDMO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744608 1053078765 /nfs/dbraw/zinc/07/87/65/1053078765.db2.gz ISURGQNIYIDUBL-UZLBHIALSA-N 1 1 335.451 4.291 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000775615934 1053111869 /nfs/dbraw/zinc/11/18/69/1053111869.db2.gz VOXMBFFQDRHCBH-RTBURBONSA-N 1 1 338.451 4.169 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900555 1053152116 /nfs/dbraw/zinc/15/21/16/1053152116.db2.gz YDMZXPXFLXALOQ-DLBZAZTESA-N 1 1 326.525 4.440 20 30 EIEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000764679841 1053267607 /nfs/dbraw/zinc/26/76/07/1053267607.db2.gz XCTGGTVQLLKRET-QUCCMNQESA-N 1 1 349.478 4.078 20 30 EIEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251978 1053345059 /nfs/dbraw/zinc/34/50/59/1053345059.db2.gz ZFIUXQNAECAWQC-IRXDYDNUSA-N 1 1 334.504 4.150 20 30 EIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173550188 1053358393 /nfs/dbraw/zinc/35/83/93/1053358393.db2.gz SPLDNXZSCWGWHD-LJQANCHMSA-N 1 1 344.418 4.254 20 30 EIEDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000864862200 1053376079 /nfs/dbraw/zinc/37/60/79/1053376079.db2.gz BZSILLMRNOWGAI-PCCBWWKXSA-N 1 1 347.462 4.011 20 30 EIEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001195376919 1053394396 /nfs/dbraw/zinc/39/43/96/1053394396.db2.gz RFZQTEQMCHECQX-HXUWFJFHSA-N 1 1 347.462 4.360 20 30 EIEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCC(C(F)(F)F)CC3)sc2C1 ZINC001195834425 1053501544 /nfs/dbraw/zinc/50/15/44/1053501544.db2.gz KTIVQUFDESCNGJ-JTQLQIEISA-N 1 1 341.402 4.266 20 30 EIEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCC(C(F)(F)F)CC3)sc2C1 ZINC001195834425 1053501552 /nfs/dbraw/zinc/50/15/52/1053501552.db2.gz KTIVQUFDESCNGJ-JTQLQIEISA-N 1 1 341.402 4.266 20 30 EIEDMO C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001195873723 1053511883 /nfs/dbraw/zinc/51/18/83/1053511883.db2.gz MRHFJWFWFOODNV-RXVVDRJESA-N 1 1 348.531 4.197 20 30 EIEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000852101440 1053548121 /nfs/dbraw/zinc/54/81/21/1053548121.db2.gz FJRJADUAUFJNNB-MGPLVRAMSA-N 1 1 338.238 4.496 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300425 1053565009 /nfs/dbraw/zinc/56/50/09/1053565009.db2.gz HXDSBDRTZVTOQL-FUHWJXTLSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)O[C@H](C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333473 1053571088 /nfs/dbraw/zinc/57/10/88/1053571088.db2.gz NLUDRPKXSMXGPR-IRLDBZIGSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)O[C@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333473 1053571110 /nfs/dbraw/zinc/57/11/10/1053571110.db2.gz NLUDRPKXSMXGPR-IRLDBZIGSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386042717 1053573474 /nfs/dbraw/zinc/57/34/74/1053573474.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 1 1 339.527 4.160 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386042717 1053573477 /nfs/dbraw/zinc/57/34/77/1053573477.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 1 1 339.527 4.160 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000852410361 1053576053 /nfs/dbraw/zinc/57/60/53/1053576053.db2.gz LJMNALZDUKVCPP-SFHVURJKSA-N 1 1 328.500 4.090 20 30 EIEDMO C[C@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000921521487 1053576204 /nfs/dbraw/zinc/57/62/04/1053576204.db2.gz PSBDJJIUZSAQHZ-JTQLQIEISA-N 1 1 332.379 4.215 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1O ZINC000866220490 1053654801 /nfs/dbraw/zinc/65/48/01/1053654801.db2.gz HLSKHEOOPRMYKX-NWDGAFQWSA-N 1 1 332.350 4.277 20 30 EIEDMO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3csc(C#N)c3)cc2)C1 ZINC000921528787 1053700777 /nfs/dbraw/zinc/70/07/77/1053700777.db2.gz IXHARXQBHVNUNS-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3csc(C#N)c3)cc2)C1 ZINC000921528787 1053700784 /nfs/dbraw/zinc/70/07/84/1053700784.db2.gz IXHARXQBHVNUNS-INIZCTEOSA-N 1 1 339.508 4.141 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000121231603 1053824661 /nfs/dbraw/zinc/82/46/61/1053824661.db2.gz NSFVDNZIGPZMAJ-GOSISDBHSA-N 1 1 349.478 4.210 20 30 EIEDMO COc1ccccc1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197212101 1053854241 /nfs/dbraw/zinc/85/42/41/1053854241.db2.gz GRHQTWIWPLHJIS-IBGZPJMESA-N 1 1 337.438 4.456 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001197272455 1053865711 /nfs/dbraw/zinc/86/57/11/1053865711.db2.gz AGWFUIARNQUXLX-RBBKRZOGSA-N 1 1 344.543 4.322 20 30 EIEDMO C#CCCCCCC[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC001197402614 1053894866 /nfs/dbraw/zinc/89/48/66/1053894866.db2.gz KABWVOSZXKZHRR-INIZCTEOSA-N 1 1 348.512 4.001 20 30 EIEDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197422470 1053904481 /nfs/dbraw/zinc/90/44/81/1053904481.db2.gz RDZMAVKIVFEZDB-CYBMUJFWSA-N 1 1 333.407 4.061 20 30 EIEDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC001197422470 1053904493 /nfs/dbraw/zinc/90/44/93/1053904493.db2.gz RDZMAVKIVFEZDB-CYBMUJFWSA-N 1 1 333.407 4.061 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001197978064 1054048114 /nfs/dbraw/zinc/04/81/14/1054048114.db2.gz FMEUFPCEIKJTBO-JOCHJYFZSA-N 1 1 342.446 4.046 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001197978064 1054048125 /nfs/dbraw/zinc/04/81/25/1054048125.db2.gz FMEUFPCEIKJTBO-JOCHJYFZSA-N 1 1 342.446 4.046 20 30 EIEDMO N#Cc1ccc([C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CCO2)cc1 ZINC001198219217 1054096792 /nfs/dbraw/zinc/09/67/92/1054096792.db2.gz MQLQPYKXMBXZSC-FQEVSTJZSA-N 1 1 340.854 4.218 20 30 EIEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CCO2)cc1 ZINC001198219217 1054096804 /nfs/dbraw/zinc/09/68/04/1054096804.db2.gz MQLQPYKXMBXZSC-FQEVSTJZSA-N 1 1 340.854 4.218 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC001198289971 1054116001 /nfs/dbraw/zinc/11/60/01/1054116001.db2.gz XREGWXCDAHKYHT-HNNXBMFYSA-N 1 1 338.517 4.470 20 30 EIEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001198299631 1054118463 /nfs/dbraw/zinc/11/84/63/1054118463.db2.gz GXKHIANNYKGCQM-QGZVFWFLSA-N 1 1 331.872 4.265 20 30 EIEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1Cc1ccncc1C#N ZINC001198299631 1054118470 /nfs/dbraw/zinc/11/84/70/1054118470.db2.gz GXKHIANNYKGCQM-QGZVFWFLSA-N 1 1 331.872 4.265 20 30 EIEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC001198457817 1054150101 /nfs/dbraw/zinc/15/01/01/1054150101.db2.gz KTHWKUDPOJXDIL-UHFFFAOYSA-N 1 1 342.277 4.254 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001198684488 1054234035 /nfs/dbraw/zinc/23/40/35/1054234035.db2.gz BLMZMPGARDPJNP-ZWKOTPCHSA-N 1 1 337.385 4.090 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001203922490 1054302126 /nfs/dbraw/zinc/30/21/26/1054302126.db2.gz VTBNBDUTBZKVAF-IBGZPJMESA-N 1 1 326.827 4.255 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2F)c1 ZINC000872045619 1054360051 /nfs/dbraw/zinc/36/00/51/1054360051.db2.gz QAHNLASBFKMUMR-DZGCQCFKSA-N 1 1 328.387 4.063 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1cccc(C#N)c1O ZINC000872108828 1054389164 /nfs/dbraw/zinc/38/91/64/1054389164.db2.gz XYODVIDQHSJKDV-VIFPVBQESA-N 1 1 326.343 4.195 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023833 1054403881 /nfs/dbraw/zinc/40/38/81/1054403881.db2.gz RDKYKXBKCXPMFJ-OAQYLSRUSA-N 1 1 347.462 4.183 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024019 1054404290 /nfs/dbraw/zinc/40/42/90/1054404290.db2.gz SYYUZMZUKUGYTQ-IERDGZPVSA-N 1 1 347.462 4.435 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000872181657 1054422559 /nfs/dbraw/zinc/42/25/59/1054422559.db2.gz OKZNTXQBKMQVGM-QWRGUYRKSA-N 1 1 349.715 4.290 20 30 EIEDMO C[N@@H+]1CC[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143459 1054423155 /nfs/dbraw/zinc/42/31/55/1054423155.db2.gz KNZGRWFTSDDRMU-QGZVFWFLSA-N 1 1 339.508 4.249 20 30 EIEDMO C[N@H+]1CC[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143459 1054423165 /nfs/dbraw/zinc/42/31/65/1054423165.db2.gz KNZGRWFTSDDRMU-QGZVFWFLSA-N 1 1 339.508 4.249 20 30 EIEDMO CN1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143459 1054423169 /nfs/dbraw/zinc/42/31/69/1054423169.db2.gz KNZGRWFTSDDRMU-QGZVFWFLSA-N 1 1 339.508 4.249 20 30 EIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012034 1054445023 /nfs/dbraw/zinc/44/50/23/1054445023.db2.gz WQRVWBZGGZULPG-KRWDZBQOSA-N 1 1 343.430 4.422 20 30 EIEDMO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)ccc1C#N ZINC000873169051 1054497987 /nfs/dbraw/zinc/49/79/87/1054497987.db2.gz IIFWFNMCYFASET-UHFFFAOYSA-N 1 1 339.748 4.224 20 30 EIEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283427 1054657949 /nfs/dbraw/zinc/65/79/49/1054657949.db2.gz VTWMSSANDOPKBM-INIZCTEOSA-N 1 1 349.434 4.016 20 30 EIEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000776153253 1054751390 /nfs/dbraw/zinc/75/13/90/1054751390.db2.gz AOYKRNJRINWSOQ-WIYYLYMNSA-N 1 1 343.515 4.140 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486440 1054815581 /nfs/dbraw/zinc/81/55/81/1054815581.db2.gz JTQHXPXESCXXBM-FPOVZHCZSA-N 1 1 332.532 4.402 20 30 EIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001201481641 1054832820 /nfs/dbraw/zinc/83/28/20/1054832820.db2.gz LEESNGHTVNBDRL-RTWAWAEBSA-N 1 1 340.430 4.163 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCOCCC#N)C1 ZINC000339021593 1054881574 /nfs/dbraw/zinc/88/15/74/1054881574.db2.gz BZBAVQMTDAGQOW-CJNGLKHVSA-N 1 1 326.362 4.019 20 30 EIEDMO CCCCCCCC[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001201825994 1054925025 /nfs/dbraw/zinc/92/50/25/1054925025.db2.gz KPLOXLNDBBATCL-UHFFFAOYSA-N 1 1 333.520 4.376 20 30 EIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201840020 1054931527 /nfs/dbraw/zinc/93/15/27/1054931527.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 1 1 329.532 4.196 20 30 EIEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000876777674 1054957052 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20 30 EIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876995080 1054993326 /nfs/dbraw/zinc/99/33/26/1054993326.db2.gz VXQPZGYIEDGAOT-INIZCTEOSA-N 1 1 329.831 4.246 20 30 EIEDMO C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000877170160 1055029813 /nfs/dbraw/zinc/02/98/13/1055029813.db2.gz JFTGDACPNUPTKJ-JXFKEZNVSA-N 1 1 335.451 4.032 20 30 EIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001137119605 1055043388 /nfs/dbraw/zinc/04/33/88/1055043388.db2.gz ZAMRUATWAVJDAO-NRFANRHFSA-N 1 1 336.435 4.325 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601225 1055088342 /nfs/dbraw/zinc/08/83/42/1055088342.db2.gz XUBVOAUVLCTESA-SJORKVTESA-N 1 1 349.519 4.038 20 30 EIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043087 1055102540 /nfs/dbraw/zinc/10/25/40/1055102540.db2.gz NZPYTLHGTYSPFM-IJLUTSLNSA-N 1 1 329.391 4.034 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043088 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4.120 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000093872129 1024898008 /nfs/dbraw/zinc/89/80/08/1024898008.db2.gz WDDLSTRAIDVKAO-WOJBJXKFSA-N 1 1 348.446 4.120 20 30 EIEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567049 1025061831 /nfs/dbraw/zinc/06/18/31/1025061831.db2.gz JJGDVPSGLBLUMX-FUHWJXTLSA-N 1 1 330.428 4.111 20 30 EIEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1SC(F)(F)F ZINC000176254844 1025114240 /nfs/dbraw/zinc/11/42/40/1025114240.db2.gz KYTWOCVKPYQCRS-UHFFFAOYSA-N 1 1 344.402 4.433 20 30 EIEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1SC(F)(F)F ZINC000176254844 1025114255 /nfs/dbraw/zinc/11/42/55/1025114255.db2.gz KYTWOCVKPYQCRS-UHFFFAOYSA-N 1 1 344.402 4.433 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)ccn1 ZINC000610992297 1025227367 /nfs/dbraw/zinc/22/73/67/1025227367.db2.gz SHKMSUINGIRDKB-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499325 1025337282 /nfs/dbraw/zinc/33/72/82/1025337282.db2.gz GMIPXAYMWMAASO-DYESRHJHSA-N 1 1 347.462 4.012 20 30 EIEDMO C=CCc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)cc(OC)c1O ZINC000506734862 1025539420 /nfs/dbraw/zinc/53/94/20/1025539420.db2.gz LCTDXXNQYZWOGI-CYBMUJFWSA-N 1 1 329.465 4.310 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCc3sccc3[C@H]2C)cc(OC)c1O ZINC000506734862 1025539438 /nfs/dbraw/zinc/53/94/38/1025539438.db2.gz LCTDXXNQYZWOGI-CYBMUJFWSA-N 1 1 329.465 4.310 20 30 EIEDMO C=CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000426600432 1025733522 /nfs/dbraw/zinc/73/35/22/1025733522.db2.gz HVEXULRRTVCXBF-AZUAARDMSA-N 1 1 328.500 4.117 20 30 EIEDMO C=CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000426600434 1025735479 /nfs/dbraw/zinc/73/54/79/1025735479.db2.gz HVEXULRRTVCXBF-QUCCMNQESA-N 1 1 328.500 4.117 20 30 EIEDMO C=CCc1cc(C[N@@H+](CC=C)Cc2cccc(C#N)c2)cc(OC)c1O ZINC000512051748 1025847928 /nfs/dbraw/zinc/84/79/28/1025847928.db2.gz JNZNRHKJLQGKBC-UHFFFAOYSA-N 1 1 348.446 4.189 20 30 EIEDMO Fc1cccc(OCC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000605000826 1025849819 /nfs/dbraw/zinc/84/98/19/1025849819.db2.gz DHBINSSPIDYYQY-UHFFFAOYSA-N 1 1 345.258 4.021 20 30 EIEDMO Fc1cccc(OCC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000605000826 1025849809 /nfs/dbraw/zinc/84/98/09/1025849809.db2.gz DHBINSSPIDYYQY-UHFFFAOYSA-N 1 1 345.258 4.021 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccc(C)cc2)no1 ZINC000519506435 1025858909 /nfs/dbraw/zinc/85/89/09/1025858909.db2.gz LYTRKFZQIRIKPM-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(C)cc2)no1 ZINC000519506435 1025858913 /nfs/dbraw/zinc/85/89/13/1025858913.db2.gz LYTRKFZQIRIKPM-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1CC ZINC000519507217 1025859999 /nfs/dbraw/zinc/85/99/99/1025859999.db2.gz RVYQVSDOXAURNG-UHFFFAOYSA-N 1 1 336.479 4.227 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1CC ZINC000519507217 1025860006 /nfs/dbraw/zinc/86/00/06/1025860006.db2.gz RVYQVSDOXAURNG-UHFFFAOYSA-N 1 1 336.479 4.227 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000512058754 1025862079 /nfs/dbraw/zinc/86/20/79/1025862079.db2.gz OXIBJGMPFJLBNP-UHFFFAOYSA-N 1 1 342.446 4.445 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000125988739 1026036690 /nfs/dbraw/zinc/03/66/90/1026036690.db2.gz YHRAZPQZQPYSCB-UHFFFAOYSA-N 1 1 333.501 4.226 20 30 EIEDMO N#CCCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000582060478 1026048314 /nfs/dbraw/zinc/04/83/14/1026048314.db2.gz LEWSHQZFSOOARQ-UHFFFAOYSA-N 1 1 325.481 4.250 20 30 EIEDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000344217778 1026154433 /nfs/dbraw/zinc/15/44/33/1026154433.db2.gz KURLUDKACJWQHQ-BEFAXECRSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000344217778 1026154445 /nfs/dbraw/zinc/15/44/45/1026154445.db2.gz KURLUDKACJWQHQ-BEFAXECRSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1Cl ZINC000551583928 1026222614 /nfs/dbraw/zinc/22/26/14/1026222614.db2.gz XFDWAOMYERDTFY-NSHDSACASA-N 1 1 345.233 4.364 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000512188048 1026286535 /nfs/dbraw/zinc/28/65/35/1026286535.db2.gz VCJIGRSININNHS-HNNXBMFYSA-N 1 1 344.411 4.128 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000512188048 1026286555 /nfs/dbraw/zinc/28/65/55/1026286555.db2.gz VCJIGRSININNHS-HNNXBMFYSA-N 1 1 344.411 4.128 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)o1 ZINC000344416550 1026387066 /nfs/dbraw/zinc/38/70/66/1026387066.db2.gz HYZDQTTUHXPPIA-HXUWFJFHSA-N 1 1 330.387 4.432 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC(C)C)c1 ZINC000512198059 1026409757 /nfs/dbraw/zinc/40/97/57/1026409757.db2.gz SBIFIZMHVSQTOO-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC(C)C)c1 ZINC000512198059 1026409774 /nfs/dbraw/zinc/40/97/74/1026409774.db2.gz SBIFIZMHVSQTOO-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892245725 1026424198 /nfs/dbraw/zinc/42/41/98/1026424198.db2.gz FLXSCKNSZABMNK-UHFFFAOYSA-N 1 1 334.467 4.242 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)c2cccnc12 ZINC000512204756 1026461953 /nfs/dbraw/zinc/46/19/53/1026461953.db2.gz VIUZDQVVZLTLPT-UHFFFAOYSA-N 1 1 340.398 4.038 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569816 /nfs/dbraw/zinc/56/98/16/1026569816.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244661 1026569823 /nfs/dbraw/zinc/56/98/23/1026569823.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 1 1 345.490 4.217 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244661 1026569831 /nfs/dbraw/zinc/56/98/31/1026569831.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 1 1 345.490 4.217 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)nn1 ZINC000657428960 1026631562 /nfs/dbraw/zinc/63/15/62/1026631562.db2.gz OYELVNODTPOGGW-BEFAXECRSA-N 1 1 336.483 4.244 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000582444090 1026644721 /nfs/dbraw/zinc/64/47/21/1026644721.db2.gz RKHJZQLMPSOBAT-UHFFFAOYSA-N 1 1 348.368 4.226 20 30 EIEDMO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279578 1026644733 /nfs/dbraw/zinc/64/47/33/1026644733.db2.gz FXRVEYYQYTURET-MRXNPFEDSA-N 1 1 339.458 4.388 20 30 EIEDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279578 1026644743 /nfs/dbraw/zinc/64/47/43/1026644743.db2.gz FXRVEYYQYTURET-MRXNPFEDSA-N 1 1 339.458 4.388 20 30 EIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002189 1026674810 /nfs/dbraw/zinc/67/48/10/1026674810.db2.gz NJPXRSPYLTWJRB-WCQYABFASA-N 1 1 333.501 4.074 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)CC)cc1OC ZINC000507189436 1026695426 /nfs/dbraw/zinc/69/54/26/1026695426.db2.gz VCSHVNKXJCVKNL-GFCCVEGCSA-N 1 1 342.277 4.253 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(C#N)cc1 ZINC000507173804 1026686119 /nfs/dbraw/zinc/68/61/19/1026686119.db2.gz OSTJDGZJJDAWFQ-UHFFFAOYSA-N 1 1 348.475 4.487 20 30 EIEDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000507172673 1026687219 /nfs/dbraw/zinc/68/72/19/1026687219.db2.gz GWXHKWBFGXGYCM-FNORWQNLSA-N 1 1 335.407 4.390 20 30 EIEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119851752 1026700361 /nfs/dbraw/zinc/70/03/61/1026700361.db2.gz YRAVOUJURYDCNE-HNNXBMFYSA-N 1 1 334.423 4.433 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000479442901 1026814043 /nfs/dbraw/zinc/81/40/43/1026814043.db2.gz XCCLLDUSIQLTEP-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO CCCCCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001625931410 1026824062 /nfs/dbraw/zinc/82/40/62/1026824062.db2.gz YENNEQQRMROVIQ-ROUUACIJSA-N 1 1 340.577 4.213 20 30 EIEDMO COCCCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000158665253 1026881046 /nfs/dbraw/zinc/88/10/46/1026881046.db2.gz DNXZCEVBDUUQCU-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000158665253 1026881051 /nfs/dbraw/zinc/88/10/51/1026881051.db2.gz DNXZCEVBDUUQCU-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C[NH+](C)CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796148 1026994740 /nfs/dbraw/zinc/99/47/40/1026994740.db2.gz YJNRAHHRTPQSHK-INIZCTEOSA-N 1 1 341.421 4.033 20 30 EIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCOc1ccc(C#N)cc1)CC3 ZINC000729480680 1027051746 /nfs/dbraw/zinc/05/17/46/1027051746.db2.gz MUYMOIZYYYYGOT-UHFFFAOYSA-N 1 1 345.446 4.175 20 30 EIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCOc1ccc(C#N)cc1)CC3 ZINC000729480680 1027051755 /nfs/dbraw/zinc/05/17/55/1027051755.db2.gz MUYMOIZYYYYGOT-UHFFFAOYSA-N 1 1 345.446 4.175 20 30 EIEDMO C[C@H](c1ccco1)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000440906537 1027124787 /nfs/dbraw/zinc/12/47/87/1027124787.db2.gz HWWSVFJPDMTWGZ-GFCCVEGCSA-N 1 1 332.350 4.478 20 30 EIEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000440906537 1027124804 /nfs/dbraw/zinc/12/48/04/1027124804.db2.gz HWWSVFJPDMTWGZ-GFCCVEGCSA-N 1 1 332.350 4.478 20 30 EIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC(F)F)cc1 ZINC000141211548 1027240033 /nfs/dbraw/zinc/24/00/33/1027240033.db2.gz LNHDPTGULAMBDR-UHFFFAOYSA-N 1 1 341.361 4.044 20 30 EIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC(F)F)cc1 ZINC000141211548 1027240060 /nfs/dbraw/zinc/24/00/60/1027240060.db2.gz LNHDPTGULAMBDR-UHFFFAOYSA-N 1 1 341.361 4.044 20 30 EIEDMO CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000520196859 1027306313 /nfs/dbraw/zinc/30/63/13/1027306313.db2.gz GUDHGXHNVAPPSB-KRWDZBQOSA-N 1 1 341.499 4.028 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000151885250 1027370043 /nfs/dbraw/zinc/37/00/43/1027370043.db2.gz XLMJZYVMERUKJE-UHFFFAOYSA-N 1 1 328.415 4.446 20 30 EIEDMO N#Cc1ccc(C(F)(F)F)c(N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000475509222 1027514295 /nfs/dbraw/zinc/51/42/95/1027514295.db2.gz OIFRJSCOOHWTSC-UHFFFAOYSA-N 1 1 337.389 4.032 20 30 EIEDMO N#CC1(CCCC[N@H+](CCO)[C@@H]2CCCc3ccccc32)CCC1 ZINC001167990350 1027565184 /nfs/dbraw/zinc/56/51/84/1027565184.db2.gz RFFIRNFBIGADQL-HXUWFJFHSA-N 1 1 326.484 4.222 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000544039514 1027572239 /nfs/dbraw/zinc/57/22/39/1027572239.db2.gz KTXHGKLHQAQBOO-QMMLZNLJSA-N 1 1 348.494 4.474 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000329115780 1027601404 /nfs/dbraw/zinc/60/14/04/1027601404.db2.gz IHMOYHLEJGBQHJ-SJLPKXTDSA-N 1 1 325.456 4.252 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000329144639 1027611586 /nfs/dbraw/zinc/61/15/86/1027611586.db2.gz NCNYLRZGIPYSAU-GFCCVEGCSA-N 1 1 331.485 4.337 20 30 EIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000329144639 1027611603 /nfs/dbraw/zinc/61/16/03/1027611603.db2.gz NCNYLRZGIPYSAU-GFCCVEGCSA-N 1 1 331.485 4.337 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000895017819 1027710592 /nfs/dbraw/zinc/71/05/92/1027710592.db2.gz HREGGLQLRXFMTA-LLVKDONJSA-N 1 1 339.386 4.313 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000895017819 1027710624 /nfs/dbraw/zinc/71/06/24/1027710624.db2.gz HREGGLQLRXFMTA-LLVKDONJSA-N 1 1 339.386 4.313 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282008016 1027719430 /nfs/dbraw/zinc/71/94/30/1027719430.db2.gz ODPBSXRCGWZHLI-UHFFFAOYSA-N 1 1 338.495 4.493 20 30 EIEDMO N#C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000328684221 1027795194 /nfs/dbraw/zinc/79/51/94/1027795194.db2.gz PONXAOYSMQMWKZ-QGCDCVKKSA-N 1 1 343.430 4.059 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000444594748 1027880398 /nfs/dbraw/zinc/88/03/98/1027880398.db2.gz HTMLIGZGMKNVEP-UHFFFAOYSA-N 1 1 331.479 4.053 20 30 EIEDMO CO[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1C ZINC000444677134 1027956979 /nfs/dbraw/zinc/95/69/79/1027956979.db2.gz VTCVTLBVKSOGQP-KNQAVFIVSA-N 1 1 348.490 4.243 20 30 EIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCCC(C)(C)C#N ZINC000444689966 1027975000 /nfs/dbraw/zinc/97/50/00/1027975000.db2.gz PZEFVTPGFPTRCM-RTBURBONSA-N 1 1 341.543 4.453 20 30 EIEDMO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000536337686 1028033535 /nfs/dbraw/zinc/03/35/35/1028033535.db2.gz FTFNUKKHZVCILQ-HZPDHXFCSA-N 1 1 347.249 4.117 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000536337686 1028033555 /nfs/dbraw/zinc/03/35/55/1028033555.db2.gz FTFNUKKHZVCILQ-HZPDHXFCSA-N 1 1 347.249 4.117 20 30 EIEDMO C=CC[C@H]1[N@@H+](Cc2nnc(-c3ccc(OC)cc3)o2)CCCC1(C)C ZINC000444784973 1028071319 /nfs/dbraw/zinc/07/13/19/1028071319.db2.gz WZQIBBKSVKSARV-QGZVFWFLSA-N 1 1 341.455 4.312 20 30 EIEDMO CSc1nc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc1C#N ZINC001141948085 1028152972 /nfs/dbraw/zinc/15/29/72/1028152972.db2.gz MKWUDJUYWWPRTA-SFHVURJKSA-N 1 1 341.455 4.021 20 30 EIEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC34CCCC4)CC2)oc1C ZINC000329968385 1028169137 /nfs/dbraw/zinc/16/91/37/1028169137.db2.gz TXCMAWCXSISOJD-KRWDZBQOSA-N 1 1 345.487 4.040 20 30 EIEDMO Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330006112 1028178443 /nfs/dbraw/zinc/17/84/43/1028178443.db2.gz DUNFMLXFDNUONE-IBGZPJMESA-N 1 1 338.455 4.176 20 30 EIEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001167659876 1028260394 /nfs/dbraw/zinc/26/03/94/1028260394.db2.gz WFXYACSQYNHXAU-SJORKVTESA-N 1 1 338.289 4.263 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000150873562 1028426940 /nfs/dbraw/zinc/42/69/40/1028426940.db2.gz UUUOJBIMZODZAK-UHFFFAOYSA-N 1 1 343.496 4.087 20 30 EIEDMO CCN(CCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)CC(F)(F)F ZINC000544403357 1028648274 /nfs/dbraw/zinc/64/82/74/1028648274.db2.gz MNGHJVMTTGPKHP-HNNXBMFYSA-N 1 1 341.421 4.215 20 30 EIEDMO COc1ccc([C@@H]([NH2+]CCCC#N)c2ccccc2Cl)cc1OC ZINC000346808300 1028665930 /nfs/dbraw/zinc/66/59/30/1028665930.db2.gz CYUSNHUQCGQYPE-LJQANCHMSA-N 1 1 344.842 4.340 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000524176495 1028740368 /nfs/dbraw/zinc/74/03/68/1028740368.db2.gz UHRCMAPODLHCDV-UHFFFAOYSA-N 1 1 342.508 4.322 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000524176495 1028740385 /nfs/dbraw/zinc/74/03/85/1028740385.db2.gz UHRCMAPODLHCDV-UHFFFAOYSA-N 1 1 342.508 4.322 20 30 EIEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000728569734 1028866833 /nfs/dbraw/zinc/86/68/33/1028866833.db2.gz KUCIVRLGIFPYSG-NQIIRXRSSA-N 1 1 338.426 4.297 20 30 EIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876124 1028903715 /nfs/dbraw/zinc/90/37/15/1028903715.db2.gz CPGNIGBDFMIAOL-APWZRJJASA-N 1 1 330.447 4.309 20 30 EIEDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(Br)cc2C#N)cn1 ZINC000347202106 1028921529 /nfs/dbraw/zinc/92/15/29/1028921529.db2.gz ONKKGQWYOJOIKI-UHFFFAOYSA-N 1 1 344.256 4.049 20 30 EIEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254144 1029113566 /nfs/dbraw/zinc/11/35/66/1029113566.db2.gz VTWUETOWGPQCRO-DOTOQJQBSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053325 1029156900 /nfs/dbraw/zinc/15/69/00/1029156900.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168053325 1029156941 /nfs/dbraw/zinc/15/69/41/1029156941.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168053325 1029156948 /nfs/dbraw/zinc/15/69/48/1029156948.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 1 1 347.506 4.432 20 30 EIEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000131039694 1029273939 /nfs/dbraw/zinc/27/39/39/1029273939.db2.gz FANIPQFOTWCPLT-INIZCTEOSA-N 1 1 334.423 4.250 20 30 EIEDMO CC[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000524907152 1029322926 /nfs/dbraw/zinc/32/29/26/1029322926.db2.gz ACUTVUZYALPDJG-QGZVFWFLSA-N 1 1 338.451 4.246 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000523007635 1029344611 /nfs/dbraw/zinc/34/46/11/1029344611.db2.gz SRWWCUAALYLBKR-UHFFFAOYSA-N 1 1 336.479 4.132 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000475263675 1029479037 /nfs/dbraw/zinc/47/90/37/1029479037.db2.gz CROKFNZTFQKVBQ-JSGCOSHPSA-N 1 1 329.362 4.033 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584024988 1029542085 /nfs/dbraw/zinc/54/20/85/1029542085.db2.gz ITRPBXJTBYBZGI-ICSRJNTNSA-N 1 1 328.500 4.007 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000525271578 1029544375 /nfs/dbraw/zinc/54/43/75/1029544375.db2.gz LEFLRNICWGTTHW-UHFFFAOYSA-N 1 1 330.447 4.259 20 30 EIEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1F ZINC000536203459 1029567003 /nfs/dbraw/zinc/56/70/03/1029567003.db2.gz JYEHKIFKQXZUTR-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC[C@@H](CC#N)[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000584061826 1029583206 /nfs/dbraw/zinc/58/32/06/1029583206.db2.gz WBRISKUAHNOUOM-AWEZNQCLSA-N 1 1 344.871 4.498 20 30 EIEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000584136895 1029641244 /nfs/dbraw/zinc/64/12/44/1029641244.db2.gz VBLMGWGQTXQWCN-XIKOKIGWSA-N 1 1 332.806 4.389 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000052825577 1029642325 /nfs/dbraw/zinc/64/23/25/1029642325.db2.gz PTTRERBQTOCMFK-UHFFFAOYSA-N 1 1 349.478 4.334 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000343734545 1029728486 /nfs/dbraw/zinc/72/84/86/1029728486.db2.gz KPVULBZPASNXKU-JKSUJKDBSA-N 1 1 340.471 4.286 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000181576028 1029903797 /nfs/dbraw/zinc/90/37/97/1029903797.db2.gz ROEHAZHKFRGEIW-NYVOZVTQSA-N 1 1 333.479 4.142 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000181576028 1029903821 /nfs/dbraw/zinc/90/38/21/1029903821.db2.gz ROEHAZHKFRGEIW-NYVOZVTQSA-N 1 1 333.479 4.142 20 30 EIEDMO CC[N@@H+](Cc1cncn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000525833001 1030053819 /nfs/dbraw/zinc/05/38/19/1030053819.db2.gz YKQQIOJLHVXBPZ-GOSISDBHSA-N 1 1 344.462 4.386 20 30 EIEDMO CCC[N@@H+](Cc1cnc(N(CC)CC)s1)Cc1ccc(C#N)cc1 ZINC000508599998 1030099429 /nfs/dbraw/zinc/09/94/29/1030099429.db2.gz NZCOGBRYDPIXEY-UHFFFAOYSA-N 1 1 342.512 4.273 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000450960606 1030138031 /nfs/dbraw/zinc/13/80/31/1030138031.db2.gz SAEVGBHMLINLBJ-TUNNFDKTSA-N 1 1 340.511 4.393 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@H](C)c2nc(C)cs2)ccc1OC ZINC000069168281 1030184027 /nfs/dbraw/zinc/18/40/27/1030184027.db2.gz XTQAPFKOPNFJHE-CQSZACIVSA-N 1 1 332.469 4.266 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358781 1030232132 /nfs/dbraw/zinc/23/21/32/1030232132.db2.gz XGGXOSBIGLWVHE-UHFFFAOYSA-N 1 1 340.492 4.172 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724545 1030240217 /nfs/dbraw/zinc/24/02/17/1030240217.db2.gz MYMZTKZSTXDNKI-GOEBONIOSA-N 1 1 340.389 4.369 20 30 EIEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000447681660 1030268920 /nfs/dbraw/zinc/26/89/20/1030268920.db2.gz QJQNNICZMHQGPE-INIZCTEOSA-N 1 1 336.483 4.008 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000447686261 1030274354 /nfs/dbraw/zinc/27/43/54/1030274354.db2.gz POPFXJXEEVXSJD-LAUBAEHRSA-N 1 1 348.494 4.150 20 30 EIEDMO N#CCC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000397209451 1030282837 /nfs/dbraw/zinc/28/28/37/1030282837.db2.gz DIVWJJSILKKXJA-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178822 1030287296 /nfs/dbraw/zinc/28/72/96/1030287296.db2.gz BCTMAIQTRXFACZ-MBOZVWFJSA-N 1 1 347.462 4.153 20 30 EIEDMO CCC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000685418353 1030294278 /nfs/dbraw/zinc/29/42/78/1030294278.db2.gz BNMODWBZUDGHMQ-UHFFFAOYSA-N 1 1 338.426 4.459 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(F)c(F)c1 ZINC000187776475 1030374231 /nfs/dbraw/zinc/37/42/31/1030374231.db2.gz XMSVUOKHRKXOLS-IBGZPJMESA-N 1 1 344.405 4.074 20 30 EIEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413892 1030477554 /nfs/dbraw/zinc/47/75/54/1030477554.db2.gz ZJARTGRUELYWFF-ZWNOBZJWSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000451413892 1030477565 /nfs/dbraw/zinc/47/75/65/1030477565.db2.gz ZJARTGRUELYWFF-ZWNOBZJWSA-N 1 1 348.315 4.322 20 30 EIEDMO COc1cccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1F ZINC000588619311 1030483138 /nfs/dbraw/zinc/48/31/38/1030483138.db2.gz ZWQBCGCVBZMFRG-FLIBITNWSA-N 1 1 336.366 4.225 20 30 EIEDMO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000530524627 1030499974 /nfs/dbraw/zinc/49/99/74/1030499974.db2.gz XUQCLZPZEZRTIQ-JTQLQIEISA-N 1 1 338.304 4.289 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939165 1030523967 /nfs/dbraw/zinc/52/39/67/1030523967.db2.gz QUQXIDJDVLPUOD-UGSOOPFHSA-N 1 1 327.453 4.080 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939165 1030523986 /nfs/dbraw/zinc/52/39/86/1030523986.db2.gz QUQXIDJDVLPUOD-UGSOOPFHSA-N 1 1 327.453 4.080 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926537 1030524587 /nfs/dbraw/zinc/52/45/87/1030524587.db2.gz ZJFJLWBSXZSVBO-IBGZPJMESA-N 1 1 340.496 4.139 20 30 EIEDMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926537 1030524608 /nfs/dbraw/zinc/52/46/08/1030524608.db2.gz ZJFJLWBSXZSVBO-IBGZPJMESA-N 1 1 340.496 4.139 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451876310 1030753532 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EIEDMO CC(C)[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000179319762 1030898415 /nfs/dbraw/zinc/89/84/15/1030898415.db2.gz KAKKPWHNTPMMIC-UHFFFAOYSA-N 1 1 330.435 4.359 20 30 EIEDMO CC(C)[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000179319762 1030898422 /nfs/dbraw/zinc/89/84/22/1030898422.db2.gz KAKKPWHNTPMMIC-UHFFFAOYSA-N 1 1 330.435 4.359 20 30 EIEDMO CC(C)[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000179319762 1030898425 /nfs/dbraw/zinc/89/84/25/1030898425.db2.gz KAKKPWHNTPMMIC-UHFFFAOYSA-N 1 1 330.435 4.359 20 30 EIEDMO CC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC001307519758 1030973701 /nfs/dbraw/zinc/97/37/01/1030973701.db2.gz IDDGNSSCTDINFU-DENIHFKCSA-N 1 1 334.463 4.453 20 30 EIEDMO C[C@]1(C#N)CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000612165021 1031072399 /nfs/dbraw/zinc/07/23/99/1031072399.db2.gz HWEBVCFMPGJLQX-JOCHJYFZSA-N 1 1 334.463 4.418 20 30 EIEDMO C[C@]1(C#N)CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000612165021 1031072409 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/nfs/dbraw/zinc/47/35/61/1036473561.db2.gz SFHKKVTWEKYINR-UHFFFAOYSA-N 1 1 348.494 4.008 20 30 EIEDMO N#Cc1cccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508029 1036484120 /nfs/dbraw/zinc/48/41/20/1036484120.db2.gz KWQYTAAKHLJOBL-RBBKRZOGSA-N 1 1 331.463 4.016 20 30 EIEDMO N#Cc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508029 1036484135 /nfs/dbraw/zinc/48/41/35/1036484135.db2.gz KWQYTAAKHLJOBL-RBBKRZOGSA-N 1 1 331.463 4.016 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000602670808 1036548177 /nfs/dbraw/zinc/54/81/77/1036548177.db2.gz GMQSSHMZVWJMRB-JKIFEVAISA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671836 1036553707 /nfs/dbraw/zinc/55/37/07/1036553707.db2.gz KHGSLSBIQCLDQK-CPUCHLNUSA-N 1 1 340.389 4.407 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586753 1036706566 /nfs/dbraw/zinc/70/65/66/1036706566.db2.gz YLFJJNYHGIACIS-XJKSGUPXSA-N 1 1 341.282 4.431 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000598592632 1036709342 /nfs/dbraw/zinc/70/93/42/1036709342.db2.gz KPRVVIWGPADDCL-QGZVFWFLSA-N 1 1 336.426 4.010 20 30 EIEDMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598594214 1036710610 /nfs/dbraw/zinc/71/06/10/1036710610.db2.gz ZVPVKZFTKADOMV-WCQYABFASA-N 1 1 341.282 4.213 20 30 EIEDMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598594214 1036710629 /nfs/dbraw/zinc/71/06/29/1036710629.db2.gz ZVPVKZFTKADOMV-WCQYABFASA-N 1 1 341.282 4.213 20 30 EIEDMO CCCC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000027273542 1036713357 /nfs/dbraw/zinc/71/33/57/1036713357.db2.gz AXONWTMKYFABKX-UHFFFAOYSA-N 1 1 344.503 4.152 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723795 /nfs/dbraw/zinc/72/37/95/1036723795.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723818 /nfs/dbraw/zinc/72/38/18/1036723818.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723842 /nfs/dbraw/zinc/72/38/42/1036723842.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723854 /nfs/dbraw/zinc/72/38/54/1036723854.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 1 1 345.490 4.073 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000668627919 1036748810 /nfs/dbraw/zinc/74/88/10/1036748810.db2.gz NRUOAKVVJJZHML-OALUTQOASA-N 1 1 345.483 4.041 20 30 EIEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c(C(F)(F)F)c1 ZINC000598676995 1036750604 /nfs/dbraw/zinc/75/06/04/1036750604.db2.gz DBTDLCSQGZIGBL-UHFFFAOYSA-N 1 1 336.382 4.313 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598725421 1036761533 /nfs/dbraw/zinc/76/15/33/1036761533.db2.gz DUEXZMAPTXDIEL-IBGZPJMESA-N 1 1 343.515 4.164 20 30 EIEDMO CCOc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c(F)cc1OC ZINC000598971516 1036835720 /nfs/dbraw/zinc/83/57/20/1036835720.db2.gz VCXZEYYFMJICFA-GOSISDBHSA-N 1 1 342.414 4.368 20 30 EIEDMO N#Cc1c(Cl)cccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000603438495 1036840670 /nfs/dbraw/zinc/84/06/70/1036840670.db2.gz XFMNCDUCHXGGBL-UHFFFAOYSA-N 1 1 336.826 4.111 20 30 EIEDMO CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486776386 1036849082 /nfs/dbraw/zinc/84/90/82/1036849082.db2.gz HPIACXMZSDZQQI-OAQYLSRUSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486776386 1036849091 /nfs/dbraw/zinc/84/90/91/1036849091.db2.gz HPIACXMZSDZQQI-OAQYLSRUSA-N 1 1 347.506 4.194 20 30 EIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486776386 1036849092 /nfs/dbraw/zinc/84/90/92/1036849092.db2.gz HPIACXMZSDZQQI-OAQYLSRUSA-N 1 1 347.506 4.194 20 30 EIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000486780924 1036850371 /nfs/dbraw/zinc/85/03/71/1036850371.db2.gz LQPSDGQFWDWRRG-KRWDZBQOSA-N 1 1 345.512 4.383 20 30 EIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808381 1036860002 /nfs/dbraw/zinc/86/00/02/1036860002.db2.gz BSJFJIWQEMDEOA-GUYCJALGSA-N 1 1 333.863 4.051 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000486807874 1036864434 /nfs/dbraw/zinc/86/44/34/1036864434.db2.gz AKAHUDPAGSGMKO-OAQYLSRUSA-N 1 1 348.490 4.321 20 30 EIEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000589738934 1036871966 /nfs/dbraw/zinc/87/19/66/1036871966.db2.gz FYZFVYGVHYZFMD-DLBZAZTESA-N 1 1 345.487 4.026 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503046504 1036886120 /nfs/dbraw/zinc/88/61/20/1036886120.db2.gz ZZVPPLQUHFCGPR-OAHLLOKOSA-N 1 1 341.480 4.249 20 30 EIEDMO C=CCOc1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1Cl ZINC000668714219 1036899481 /nfs/dbraw/zinc/89/94/81/1036899481.db2.gz OCIAOGFZOWXDLU-UHFFFAOYSA-N 1 1 332.831 4.272 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000246304293 1036990262 /nfs/dbraw/zinc/99/02/62/1036990262.db2.gz XCIANQZVTQJYTN-PMPSAXMXSA-N 1 1 345.512 4.140 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000603894784 1037080266 /nfs/dbraw/zinc/08/02/66/1037080266.db2.gz KHWCPWILSUTGIM-UHFFFAOYSA-N 1 1 348.368 4.226 20 30 EIEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676348 1037117863 /nfs/dbraw/zinc/11/78/63/1037117863.db2.gz AZSRRTXLMUEUDY-HNNXBMFYSA-N 1 1 335.407 4.089 20 30 EIEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000604271933 1037324021 /nfs/dbraw/zinc/32/40/21/1037324021.db2.gz BYJAHRUGTQVQTG-UHFFFAOYSA-N 1 1 334.341 4.088 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000045796835 1037451250 /nfs/dbraw/zinc/45/12/50/1037451250.db2.gz JTEJLPYFAIYAPL-UHFFFAOYSA-N 1 1 334.463 4.111 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000157409237 1037492255 /nfs/dbraw/zinc/49/22/55/1037492255.db2.gz ZQBRATFPHZCMDJ-STQMWFEESA-N 1 1 328.435 4.369 20 30 EIEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413351 1037499358 /nfs/dbraw/zinc/49/93/58/1037499358.db2.gz VOQKNELQJCILPH-XJKSGUPXSA-N 1 1 340.389 4.093 20 30 EIEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000061801832 1037557420 /nfs/dbraw/zinc/55/74/20/1037557420.db2.gz AFPOXHGVLZNUMT-OAQYLSRUSA-N 1 1 336.435 4.173 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)CC1CCN(c2ccccn2)CC1 ZINC000488432757 1037589705 /nfs/dbraw/zinc/58/97/05/1037589705.db2.gz HNIUMILSTQXWDF-UHFFFAOYSA-N 1 1 348.494 4.000 20 30 EIEDMO Cc1ccccc1C1([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000592139388 1037744524 /nfs/dbraw/zinc/74/45/24/1037744524.db2.gz BXCBTMCKWKOQGD-UHFFFAOYSA-N 1 1 341.252 4.408 20 30 EIEDMO C=CCCCC[N@H+](C)Cc1cc(OC)c(Br)c(OC)c1 ZINC001232570226 1037894443 /nfs/dbraw/zinc/89/44/43/1037894443.db2.gz TUIWZQXOVGYNIL-UHFFFAOYSA-N 1 1 342.277 4.254 20 30 EIEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000570394289 1037900242 /nfs/dbraw/zinc/90/02/42/1037900242.db2.gz MFMWILFVSWQZFM-MRXNPFEDSA-N 1 1 345.450 4.337 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000489421275 1038037309 /nfs/dbraw/zinc/03/73/09/1038037309.db2.gz CVFSSMMRGCBSEM-GFCCVEGCSA-N 1 1 327.255 4.363 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000489445202 1038060841 /nfs/dbraw/zinc/06/08/41/1038060841.db2.gz FUZLJXLGBODABD-INIZCTEOSA-N 1 1 329.419 4.157 20 30 EIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000592497829 1038072922 /nfs/dbraw/zinc/07/29/22/1038072922.db2.gz ADZMCWXXNUJQES-MRXNPFEDSA-N 1 1 348.450 4.443 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000489508310 1038093976 /nfs/dbraw/zinc/09/39/76/1038093976.db2.gz JZHVYCMAAKDNFW-ZDUSSCGKSA-N 1 1 326.362 4.075 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(-c4cccs4)on3)CCC2)cc1 ZINC000594033312 1038233296 /nfs/dbraw/zinc/23/32/96/1038233296.db2.gz ZCLKQTOXDNDOBC-UHFFFAOYSA-N 1 1 335.432 4.444 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000490038644 1038312907 /nfs/dbraw/zinc/31/29/07/1038312907.db2.gz UJGZNHRSRHQZFB-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000490038644 1038312929 /nfs/dbraw/zinc/31/29/29/1038312929.db2.gz UJGZNHRSRHQZFB-SFHVURJKSA-N 1 1 344.842 4.040 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000490049574 1038322788 /nfs/dbraw/zinc/32/27/88/1038322788.db2.gz OOCYNVGTIKTIDM-SNVBAGLBSA-N 1 1 325.359 4.079 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000594497848 1038344734 /nfs/dbraw/zinc/34/47/34/1038344734.db2.gz JPUDUNOJURGXKE-UHFFFAOYSA-N 1 1 348.475 4.296 20 30 EIEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC12CCOCC2 ZINC000594605894 1038381175 /nfs/dbraw/zinc/38/11/75/1038381175.db2.gz FQFBQLOBCGWAGI-LJQANCHMSA-N 1 1 326.484 4.125 20 30 EIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000594733979 1038397156 /nfs/dbraw/zinc/39/71/56/1038397156.db2.gz MLRNEZDVQQGCFC-QWHCGFSZSA-N 1 1 341.282 4.211 20 30 EIEDMO CC(C)(C)c1csc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594921012 1038423855 /nfs/dbraw/zinc/42/38/55/1038423855.db2.gz OVWSTOQQORLMEV-UHFFFAOYSA-N 1 1 325.481 4.286 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccccc21 ZINC000063730231 1038800926 /nfs/dbraw/zinc/80/09/26/1038800926.db2.gz XHYYNJIRNPWXPJ-UHFFFAOYSA-N 1 1 346.430 4.066 20 30 EIEDMO Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(Cl)cc1C#N ZINC000461944865 1038830777 /nfs/dbraw/zinc/83/07/77/1038830777.db2.gz CEONEJIXDRXUKT-HOCLYGCPSA-N 1 1 346.906 4.006 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)C ZINC000608886365 1038953572 /nfs/dbraw/zinc/95/35/72/1038953572.db2.gz APMXLFKOTLASCT-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)c(Br)c1 ZINC000481250314 1039162264 /nfs/dbraw/zinc/16/22/64/1039162264.db2.gz CHVFWQDDPXFVCC-UHFFFAOYSA-N 1 1 327.225 4.100 20 30 EIEDMO COc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1 ZINC000481273418 1039209225 /nfs/dbraw/zinc/20/92/25/1039209225.db2.gz YDRUWKAAFRWIAD-LBPRGKRZSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CCOc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478024380 1039346918 /nfs/dbraw/zinc/34/69/18/1039346918.db2.gz DQVANOHBXQMFNN-UHFFFAOYSA-N 1 1 344.842 4.219 20 30 EIEDMO COc1ccc2oc(C[N@H+]3CCc4c(CC#N)cccc4C3)cc2c1 ZINC000600213035 1039374088 /nfs/dbraw/zinc/37/40/88/1039374088.db2.gz PFYUUBBHFBLDMW-UHFFFAOYSA-N 1 1 332.403 4.066 20 30 EIEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212207 1039374588 /nfs/dbraw/zinc/37/45/88/1039374588.db2.gz CUQHCNMIPYPKHP-ZMUQKWFASA-N 1 1 349.482 4.037 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448736 1039407555 /nfs/dbraw/zinc/40/75/55/1039407555.db2.gz ASMSYRYWYRCPBN-JOCHJYFZSA-N 1 1 347.506 4.257 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448736 1039407568 /nfs/dbraw/zinc/40/75/68/1039407568.db2.gz ASMSYRYWYRCPBN-JOCHJYFZSA-N 1 1 347.506 4.257 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1C ZINC000092787089 1039591691 /nfs/dbraw/zinc/59/16/91/1039591691.db2.gz PZNQGAKULOQNHX-UHFFFAOYSA-N 1 1 338.451 4.318 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000481591406 1039604965 /nfs/dbraw/zinc/60/49/65/1039604965.db2.gz HNMZSVPWHUUYEQ-KDOFPFPSSA-N 1 1 338.442 4.206 20 30 EIEDMO C=C(C)COc1cc(C[N@@H+](C)CCc2ncc(C)s2)ccc1OC ZINC000093807421 1039755541 /nfs/dbraw/zinc/75/55/41/1039755541.db2.gz KSUUYJNBJVRWCW-UHFFFAOYSA-N 1 1 346.496 4.090 20 30 EIEDMO C=C[C@@H](CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736082 1039758389 /nfs/dbraw/zinc/75/83/89/1039758389.db2.gz UYLRCJRNQJXHFI-GHTZIAJQSA-N 1 1 346.474 4.358 20 30 EIEDMO C[C@H](Cc1[nH]cc[nH+]1)OCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434649112 1039767218 /nfs/dbraw/zinc/76/72/18/1039767218.db2.gz UHNRTUFYJGDYHQ-GOSISDBHSA-N 1 1 345.446 4.257 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3CCCc3ccccc3)n2c1 ZINC000537646885 1039801840 /nfs/dbraw/zinc/80/18/40/1039801840.db2.gz BQSRLZPGWLPHRJ-FQEVSTJZSA-N 1 1 344.462 4.193 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675456 1039845836 /nfs/dbraw/zinc/84/58/36/1039845836.db2.gz YTHRIRBWEMXNIW-AVRDEDQJSA-N 1 1 334.463 4.343 20 30 EIEDMO COc1cc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000535072312 1039942970 /nfs/dbraw/zinc/94/29/70/1039942970.db2.gz GUJLSHGIELHDOJ-UHFFFAOYSA-N 1 1 338.451 4.295 20 30 EIEDMO COc1ccc2ccccc2c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000434992621 1039991046 /nfs/dbraw/zinc/99/10/46/1039991046.db2.gz UALRHFCZYQMICJ-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO COc1ccc2ccccc2c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000434992621 1039991062 /nfs/dbraw/zinc/99/10/62/1039991062.db2.gz UALRHFCZYQMICJ-UHFFFAOYSA-N 1 1 334.394 4.491 20 30 EIEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000478968052 1040038074 /nfs/dbraw/zinc/03/80/74/1040038074.db2.gz UZPHXTVCYBHGOE-UHFFFAOYSA-N 1 1 333.353 4.198 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000514754491 1040205341 /nfs/dbraw/zinc/20/53/41/1040205341.db2.gz UTJGKGKRIFVNNT-HNNXBMFYSA-N 1 1 328.843 4.421 20 30 EIEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000477155231 1040266513 /nfs/dbraw/zinc/26/65/13/1040266513.db2.gz BUWWHTFTIDTZED-UHFFFAOYSA-N 1 1 333.435 4.109 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029828385 1040280080 /nfs/dbraw/zinc/28/00/80/1040280080.db2.gz DVGCUMMEQCWGJZ-MRXNPFEDSA-N 1 1 335.382 4.218 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425366918 1040347641 /nfs/dbraw/zinc/34/76/41/1040347641.db2.gz AXCAFKDIINRHOU-FQEVSTJZSA-N 1 1 327.468 4.033 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425366919 1040348954 /nfs/dbraw/zinc/34/89/54/1040348954.db2.gz AXCAFKDIINRHOU-HXUWFJFHSA-N 1 1 327.468 4.033 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249132679 1040382512 /nfs/dbraw/zinc/38/25/12/1040382512.db2.gz FRCJZBHRXCBJCZ-AUUYWEPGSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249132679 1040382532 /nfs/dbraw/zinc/38/25/32/1040382532.db2.gz FRCJZBHRXCBJCZ-AUUYWEPGSA-N 1 1 326.827 4.346 20 30 EIEDMO C[C@H](NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000237527971 1040560956 /nfs/dbraw/zinc/56/09/56/1040560956.db2.gz DZMIZEMKTSGESX-SFHVURJKSA-N 1 1 333.479 4.311 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Br)cc1C#N ZINC000553876452 1040604564 /nfs/dbraw/zinc/60/45/64/1040604564.db2.gz WXIGQCPIPBMMAS-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Br)cc1C#N ZINC000553876452 1040604571 /nfs/dbraw/zinc/60/45/71/1040604571.db2.gz WXIGQCPIPBMMAS-UHFFFAOYSA-N 1 1 345.240 4.144 20 30 EIEDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609055 1040607887 /nfs/dbraw/zinc/60/78/87/1040607887.db2.gz BZIWNHQHEDFWML-GUXCAODWSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609055 1040607895 /nfs/dbraw/zinc/60/78/95/1040607895.db2.gz BZIWNHQHEDFWML-GUXCAODWSA-N 1 1 337.442 4.011 20 30 EIEDMO C=CCC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428792134 1040631762 /nfs/dbraw/zinc/63/17/62/1040631762.db2.gz VMGKGQPSEFABCJ-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=CCCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428792134 1040631768 /nfs/dbraw/zinc/63/17/68/1040631768.db2.gz VMGKGQPSEFABCJ-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=CCCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428792134 1040631780 /nfs/dbraw/zinc/63/17/80/1040631780.db2.gz VMGKGQPSEFABCJ-QFIPXVFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000462479551 1040655103 /nfs/dbraw/zinc/65/51/03/1040655103.db2.gz YAVFHXYLNZOYEH-QGZVFWFLSA-N 1 1 339.483 4.179 20 30 EIEDMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792514 1040657870 /nfs/dbraw/zinc/65/78/70/1040657870.db2.gz HHSSMMLZKXMDNG-KKSFZXQISA-N 1 1 343.430 4.321 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)CCc1cccc(F)c1 ZINC000515409620 1040734280 /nfs/dbraw/zinc/73/42/80/1040734280.db2.gz DPYPWBXYEBEMLC-MRXNPFEDSA-N 1 1 331.431 4.310 20 30 EIEDMO Cc1ccccc1C[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000483154287 1040742770 /nfs/dbraw/zinc/74/27/70/1040742770.db2.gz ILUQXNGAHOHMGD-UHFFFAOYSA-N 1 1 329.447 4.408 20 30 EIEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)cc1 ZINC000483174843 1040744867 /nfs/dbraw/zinc/74/48/67/1040744867.db2.gz LCCSDEHWYWFLFW-UHFFFAOYSA-N 1 1 346.272 4.070 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1C#N ZINC000483283335 1040805424 /nfs/dbraw/zinc/80/54/24/1040805424.db2.gz XKQVCQOMJDNGBX-UHFFFAOYSA-N 1 1 334.250 4.368 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811762 /nfs/dbraw/zinc/81/17/62/1040811762.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811797 /nfs/dbraw/zinc/81/17/97/1040811797.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811801 /nfs/dbraw/zinc/81/18/01/1040811801.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812828 /nfs/dbraw/zinc/81/28/28/1040812828.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812856 /nfs/dbraw/zinc/81/28/56/1040812856.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 1 1 336.907 4.209 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812860 /nfs/dbraw/zinc/81/28/60/1040812860.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 1 1 336.907 4.209 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000462696559 1040846046 /nfs/dbraw/zinc/84/60/46/1040846046.db2.gz UETXETJBKXBKSJ-ZDUSSCGKSA-N 1 1 331.872 4.156 20 30 EIEDMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000554359299 1041032864 /nfs/dbraw/zinc/03/28/64/1041032864.db2.gz PWLCQFSKJLVXCN-SFHVURJKSA-N 1 1 343.858 4.492 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000538143169 1041077531 /nfs/dbraw/zinc/07/75/31/1041077531.db2.gz DHYICPQOMOKFCI-GFCCVEGCSA-N 1 1 332.350 4.019 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982944 1041084046 /nfs/dbraw/zinc/08/40/46/1041084046.db2.gz VYGCTSNCKSDAIU-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982944 1041084066 /nfs/dbraw/zinc/08/40/66/1041084066.db2.gz VYGCTSNCKSDAIU-IFXJQAMLSA-N 1 1 326.440 4.376 20 30 EIEDMO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000462908623 1041091929 /nfs/dbraw/zinc/09/19/29/1041091929.db2.gz BZGGYVARPUZLAZ-HXUWFJFHSA-N 1 1 341.405 4.110 20 30 EIEDMO CC[N@H+](CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1)CC1CC1 ZINC000484054918 1041099305 /nfs/dbraw/zinc/09/93/05/1041099305.db2.gz GMEBZHSDJYEXNF-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CC[N@@H+](CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1)CC1CC1 ZINC000484054918 1041099321 /nfs/dbraw/zinc/09/93/21/1041099321.db2.gz GMEBZHSDJYEXNF-UHFFFAOYSA-N 1 1 343.490 4.031 20 30 EIEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000484095391 1041115149 /nfs/dbraw/zinc/11/51/49/1041115149.db2.gz JKDPSEHBXZLTFU-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000484095391 1041115163 /nfs/dbraw/zinc/11/51/63/1041115163.db2.gz JKDPSEHBXZLTFU-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000484096199 1041116481 /nfs/dbraw/zinc/11/64/81/1041116481.db2.gz SRAGEAIMPYGIGH-HXUWFJFHSA-N 1 1 348.494 4.084 20 30 EIEDMO C(#Cc1ccccc1)CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000484096199 1041116505 /nfs/dbraw/zinc/11/65/05/1041116505.db2.gz SRAGEAIMPYGIGH-HXUWFJFHSA-N 1 1 348.494 4.084 20 30 EIEDMO Fc1ccc2nc([C@@H]3CCC[N@@H+](CC#Cc4ccccc4)C3)oc2c1 ZINC000484093486 1041116876 /nfs/dbraw/zinc/11/68/76/1041116876.db2.gz NHIDBJYEJBSCDT-QGZVFWFLSA-N 1 1 334.394 4.198 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000515780202 1041121250 /nfs/dbraw/zinc/12/12/50/1041121250.db2.gz ZSHNRADPCLSXMF-UHFFFAOYSA-N 1 1 326.396 4.100 20 30 EIEDMO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000538205368 1041144157 /nfs/dbraw/zinc/14/41/57/1041144157.db2.gz UGBJQQPAQBNBLH-AWEZNQCLSA-N 1 1 344.455 4.287 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164206 1041153391 /nfs/dbraw/zinc/15/33/91/1041153391.db2.gz QXHKKPNWKJXQRI-QZTJIDSGSA-N 1 1 348.494 4.197 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000425541614 1041216578 /nfs/dbraw/zinc/21/65/78/1041216578.db2.gz WZOOJUKFUZLNIF-CYBMUJFWSA-N 1 1 341.361 4.224 20 30 EIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290147 1041358020 /nfs/dbraw/zinc/35/80/20/1041358020.db2.gz GLZLWVZAMUHRJU-BBRMVZONSA-N 1 1 327.378 4.084 20 30 EIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCCCC1 ZINC000506326087 1041400871 /nfs/dbraw/zinc/40/08/71/1041400871.db2.gz NKYOSEBPMFYULE-UHFFFAOYSA-N 1 1 336.483 4.476 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc1OC ZINC000538567438 1041423864 /nfs/dbraw/zinc/42/38/64/1041423864.db2.gz AIJVMCQZBCUWNI-IBGZPJMESA-N 1 1 345.483 4.041 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000463214924 1041425605 /nfs/dbraw/zinc/42/56/05/1041425605.db2.gz NFAHHUVNORPVDS-DFQSSKMNSA-N 1 1 331.887 4.097 20 30 EIEDMO CC(C)[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCC1 ZINC000195080417 1041471752 /nfs/dbraw/zinc/47/17/52/1041471752.db2.gz IGVVKPMBUMAVPA-UHFFFAOYSA-N 1 1 336.483 4.474 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000505886619 1041497580 /nfs/dbraw/zinc/49/75/80/1041497580.db2.gz ITYSMHTUPREJLT-UHFFFAOYSA-N 1 1 346.478 4.391 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1OC ZINC000538731272 1041500786 /nfs/dbraw/zinc/50/07/86/1041500786.db2.gz XEFJFTZUJYNWKX-INIZCTEOSA-N 1 1 341.451 4.029 20 30 EIEDMO Cc1ccccc1[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000540590302 1041547976 /nfs/dbraw/zinc/54/79/76/1041547976.db2.gz IITVSUBKHVWLJO-HXUWFJFHSA-N 1 1 344.418 4.158 20 30 EIEDMO C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708108 1041607597 /nfs/dbraw/zinc/60/75/97/1041607597.db2.gz SYENMJCCLNFJRQ-DLBZAZTESA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708108 1041607613 /nfs/dbraw/zinc/60/76/13/1041607613.db2.gz SYENMJCCLNFJRQ-DLBZAZTESA-N 1 1 339.458 4.259 20 30 EIEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157295 1041670058 /nfs/dbraw/zinc/67/00/58/1041670058.db2.gz YDSGOLJZLGIVHO-LBPRGKRZSA-N 1 1 332.350 4.058 20 30 EIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157295 1041670062 /nfs/dbraw/zinc/67/00/62/1041670062.db2.gz YDSGOLJZLGIVHO-LBPRGKRZSA-N 1 1 332.350 4.058 20 30 EIEDMO N#CCCC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000516648238 1041688999 /nfs/dbraw/zinc/68/89/99/1041688999.db2.gz NTILQDMDAWNIHA-UHFFFAOYSA-N 1 1 339.508 4.444 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437435012 1041804737 /nfs/dbraw/zinc/80/47/37/1041804737.db2.gz NZUIFPKWGGWAPL-UHFFFAOYSA-N 1 1 336.407 4.286 20 30 EIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437438443 1041806947 /nfs/dbraw/zinc/80/69/47/1041806947.db2.gz JMWHIHNVIWQDGD-ZDUSSCGKSA-N 1 1 346.377 4.361 20 30 EIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437438439 1041807012 /nfs/dbraw/zinc/80/70/12/1041807012.db2.gz JMWHIHNVIWQDGD-CYBMUJFWSA-N 1 1 346.377 4.361 20 30 EIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437631586 1041862367 /nfs/dbraw/zinc/86/23/67/1041862367.db2.gz CKHRCBCZLHFSFL-LBPRGKRZSA-N 1 1 328.428 4.123 20 30 EIEDMO CC1(C#N)CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000290494166 1041872065 /nfs/dbraw/zinc/87/20/65/1041872065.db2.gz WEHADUUVAOHZJS-UHFFFAOYSA-N 1 1 348.372 4.017 20 30 EIEDMO C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000517108797 1041872500 /nfs/dbraw/zinc/87/25/00/1041872500.db2.gz YNZSVMZILPFDTC-HOTGVXAUSA-N 1 1 342.870 4.198 20 30 EIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000517530280 1042067964 /nfs/dbraw/zinc/06/79/64/1042067964.db2.gz NQYNCIRTEGFSPW-QGZVFWFLSA-N 1 1 347.462 4.273 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc(OC)c1O ZINC000506204134 1042127926 /nfs/dbraw/zinc/12/79/26/1042127926.db2.gz OMFUIYMIFAHPRP-UHFFFAOYSA-N 1 1 333.378 4.040 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)cc1OCCCC#N ZINC000438344968 1042146324 /nfs/dbraw/zinc/14/63/24/1042146324.db2.gz CTYWWIVAFSKXMI-GOSISDBHSA-N 1 1 330.472 4.246 20 30 EIEDMO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770628 1042149084 /nfs/dbraw/zinc/14/90/84/1042149084.db2.gz BQQWDKYNJPYEQP-HXUWFJFHSA-N 1 1 347.506 4.389 20 30 EIEDMO CCC[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001168439518 1042199617 /nfs/dbraw/zinc/19/96/17/1042199617.db2.gz VXMQLIPXXBWKPZ-HSZRJFAPSA-N 1 1 347.506 4.239 20 30 EIEDMO CCC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC001168439518 1042199618 /nfs/dbraw/zinc/19/96/18/1042199618.db2.gz VXMQLIPXXBWKPZ-HSZRJFAPSA-N 1 1 347.506 4.239 20 30 EIEDMO CCC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC001168439518 1042199619 /nfs/dbraw/zinc/19/96/19/1042199619.db2.gz VXMQLIPXXBWKPZ-HSZRJFAPSA-N 1 1 347.506 4.239 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464860779 1042205259 /nfs/dbraw/zinc/20/52/59/1042205259.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464860779 1042205266 /nfs/dbraw/zinc/20/52/66/1042205266.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860779 1042205271 /nfs/dbraw/zinc/20/52/71/1042205271.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860779 1042205280 /nfs/dbraw/zinc/20/52/80/1042205280.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 1 1 333.479 4.073 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000271750273 1042297512 /nfs/dbraw/zinc/29/75/12/1042297512.db2.gz KKMSABWFXJVROW-LBPRGKRZSA-N 1 1 332.350 4.019 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000509589834 1042395900 /nfs/dbraw/zinc/39/59/00/1042395900.db2.gz XZHWNWGNTZZLQE-IBGZPJMESA-N 1 1 337.467 4.028 20 30 EIEDMO CCCN(Cc1ccc(C#N)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509589834 1042395902 /nfs/dbraw/zinc/39/59/02/1042395902.db2.gz XZHWNWGNTZZLQE-IBGZPJMESA-N 1 1 337.467 4.028 20 30 EIEDMO CCCN(Cc1ccc(C#N)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509589834 1042395906 /nfs/dbraw/zinc/39/59/06/1042395906.db2.gz XZHWNWGNTZZLQE-IBGZPJMESA-N 1 1 337.467 4.028 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491357332 1042432496 /nfs/dbraw/zinc/43/24/96/1042432496.db2.gz YFLTYJFEIIQAMW-OAQYLSRUSA-N 1 1 341.451 4.068 20 30 EIEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000506469044 1042473036 /nfs/dbraw/zinc/47/30/36/1042473036.db2.gz GTXLRVAMHGPGHT-LJQANCHMSA-N 1 1 334.463 4.474 20 30 EIEDMO CC(C)COC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000271966272 1042592886 /nfs/dbraw/zinc/59/28/86/1042592886.db2.gz SNGUXMVLGHMFAT-KDOFPFPSSA-N 1 1 330.403 4.355 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439440292 1042626901 /nfs/dbraw/zinc/62/69/01/1042626901.db2.gz NRHSWUHUFHVEFM-GOSISDBHSA-N 1 1 325.843 4.288 20 30 EIEDMO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)c(Cl)c1 ZINC000439449830 1042635209 /nfs/dbraw/zinc/63/52/09/1042635209.db2.gz GYPOWZOTOOXFQP-UHFFFAOYSA-N 1 1 339.851 4.421 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000439449371 1042635642 /nfs/dbraw/zinc/63/56/42/1042635642.db2.gz GPEWJIQOBJYASB-KBAYOESNSA-N 1 1 332.875 4.237 20 30 EIEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035673 1042798359 /nfs/dbraw/zinc/79/83/59/1042798359.db2.gz BGYWEIIXGIGEEJ-QGZVFWFLSA-N 1 1 329.488 4.061 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cc(F)c1)[C@H]2CC ZINC001143586048 1042866482 /nfs/dbraw/zinc/86/64/82/1042866482.db2.gz RFSHLWYEZRGMJE-FPOVZHCZSA-N 1 1 344.474 4.056 20 30 EIEDMO CCCCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001127273295 1042871040 /nfs/dbraw/zinc/87/10/40/1042871040.db2.gz MNYALHQUWDQDHG-FQEVSTJZSA-N 1 1 330.516 4.375 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000507772558 1042872867 /nfs/dbraw/zinc/87/28/67/1042872867.db2.gz RWWBSPUKFFCJOW-UHFFFAOYSA-N 1 1 349.478 4.435 20 30 EIEDMO C[C@@H]1CC(NCc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005230 1042963215 /nfs/dbraw/zinc/96/32/15/1042963215.db2.gz IBGWXYNNPDDKTQ-QZTJIDSGSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168005230 1042963221 /nfs/dbraw/zinc/96/32/21/1042963221.db2.gz IBGWXYNNPDDKTQ-QZTJIDSGSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncc(Br)cc1F ZINC000614634085 1042965014 /nfs/dbraw/zinc/96/50/14/1042965014.db2.gz YRIORVABURIOCK-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121621 1043106351 /nfs/dbraw/zinc/10/63/51/1043106351.db2.gz PIPSQCOHGUBJDZ-UHFFFAOYSA-N 1 1 344.833 4.072 20 30 EIEDMO COc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1C#N ZINC000507848452 1043152251 /nfs/dbraw/zinc/15/22/51/1043152251.db2.gz AQKVESSHNKGEOB-UHFFFAOYSA-N 1 1 343.430 4.337 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022893 1043303961 /nfs/dbraw/zinc/30/39/61/1043303961.db2.gz LRVIMZVIRAZMOK-SFTDATJTSA-N 1 1 349.478 4.180 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022893 1043303977 /nfs/dbraw/zinc/30/39/77/1043303977.db2.gz LRVIMZVIRAZMOK-SFTDATJTSA-N 1 1 349.478 4.180 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)c(F)c1 ZINC000187374591 1043345070 /nfs/dbraw/zinc/34/50/70/1043345070.db2.gz CTXOTWGYRLEMGR-SFHVURJKSA-N 1 1 331.362 4.143 20 30 EIEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C(C)(C)C#N ZINC000487410169 1043380441 /nfs/dbraw/zinc/38/04/41/1043380441.db2.gz OGPFUCZYZVBBCD-UHFFFAOYSA-N 1 1 336.435 4.239 20 30 EIEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000078618368 1043702611 /nfs/dbraw/zinc/70/26/11/1043702611.db2.gz XFYVPXANKGUQLZ-KRWDZBQOSA-N 1 1 339.870 4.188 20 30 EIEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(OCC#N)cc3)ccc2c1 ZINC000731210528 1043712697 /nfs/dbraw/zinc/71/26/97/1043712697.db2.gz PPNGLPRYVKZZHO-UHFFFAOYSA-N 1 1 346.430 4.383 20 30 EIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000731212036 1043714180 /nfs/dbraw/zinc/71/41/80/1043714180.db2.gz OXIJSIOQCXNWRK-OAQYLSRUSA-N 1 1 334.463 4.352 20 30 EIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731213202 1043716067 /nfs/dbraw/zinc/71/60/67/1043716067.db2.gz WNROITPTQFBLFT-FQEVSTJZSA-N 1 1 336.435 4.325 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731661878 1043812448 /nfs/dbraw/zinc/81/24/48/1043812448.db2.gz UZOLXKCXKHCPFR-UHFFFAOYSA-N 1 1 336.464 4.351 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(F)c(F)c1 ZINC000191614758 1043830659 /nfs/dbraw/zinc/83/06/59/1043830659.db2.gz QXYHATSZUIEZFY-IBGZPJMESA-N 1 1 331.410 4.223 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000428259139 1043831581 /nfs/dbraw/zinc/83/15/81/1043831581.db2.gz YQUPAOBZAAQQST-HNNXBMFYSA-N 1 1 326.440 4.312 20 30 EIEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000428259139 1043831585 /nfs/dbraw/zinc/83/15/85/1043831585.db2.gz YQUPAOBZAAQQST-HNNXBMFYSA-N 1 1 326.440 4.312 20 30 EIEDMO N#CCCC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000521619832 1043857000 /nfs/dbraw/zinc/85/70/00/1043857000.db2.gz BQITVIVUILAQTL-UHFFFAOYSA-N 1 1 329.444 4.465 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191961606 1043859168 /nfs/dbraw/zinc/85/91/68/1043859168.db2.gz PGFBITDJSVULQS-UHFFFAOYSA-N 1 1 326.415 4.126 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000732180664 1043882641 /nfs/dbraw/zinc/88/26/41/1043882641.db2.gz CWQPTRBRDUYJJQ-MRXNPFEDSA-N 1 1 327.424 4.102 20 30 EIEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000494697943 1043891036 /nfs/dbraw/zinc/89/10/36/1043891036.db2.gz GKUWREISBFYRJN-OAHLLOKOSA-N 1 1 326.465 4.283 20 30 EIEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000494697943 1043891041 /nfs/dbraw/zinc/89/10/41/1043891041.db2.gz GKUWREISBFYRJN-OAHLLOKOSA-N 1 1 326.465 4.283 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000443062067 1043980489 /nfs/dbraw/zinc/98/04/89/1043980489.db2.gz ADYVPPCYGRGLJS-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F)[NH+](C)C ZINC000443200409 1044088457 /nfs/dbraw/zinc/08/84/57/1044088457.db2.gz GDXMQHSLIFVHDW-MRUHUIDDSA-N 1 1 339.458 4.348 20 30 EIEDMO C[N@H+]1CCC[C@H](c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)C1 ZINC001211877138 1044163304 /nfs/dbraw/zinc/16/33/04/1044163304.db2.gz BAHVQFYNSKBJQB-IBGZPJMESA-N 1 1 344.418 4.084 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000766114438 1044210175 /nfs/dbraw/zinc/21/01/75/1044210175.db2.gz DHRSDDOKSQYKEK-ZDUSSCGKSA-N 1 1 343.389 4.294 20 30 EIEDMO C#Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019153 1044337634 /nfs/dbraw/zinc/33/76/34/1044337634.db2.gz GXJFUHYOFPBQNU-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019153 1044337650 /nfs/dbraw/zinc/33/76/50/1044337650.db2.gz GXJFUHYOFPBQNU-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019153 1044337663 /nfs/dbraw/zinc/33/76/63/1044337663.db2.gz GXJFUHYOFPBQNU-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000466386165 1044349840 /nfs/dbraw/zinc/34/98/40/1044349840.db2.gz NUCXWWTWGPKFED-HOJAQTOUSA-N 1 1 343.515 4.208 20 30 EIEDMO C[C@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@H](C)N1Cc1ccccc1 ZINC001168021540 1044437821 /nfs/dbraw/zinc/43/78/21/1044437821.db2.gz PWLILTROYJQQIJ-HOTGVXAUSA-N 1 1 339.508 4.151 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021585 1044444744 /nfs/dbraw/zinc/44/47/44/1044444744.db2.gz QKHOVNWRVYSUSQ-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021585 1044444759 /nfs/dbraw/zinc/44/47/59/1044444759.db2.gz QKHOVNWRVYSUSQ-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021585 1044444766 /nfs/dbraw/zinc/44/47/66/1044444766.db2.gz QKHOVNWRVYSUSQ-BBIADKPPSA-N 1 1 332.491 4.199 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321831 1044549305 /nfs/dbraw/zinc/54/93/05/1044549305.db2.gz KQOLDCVAAAXAEY-MJGOQNOKSA-N 1 1 347.462 4.155 20 30 EIEDMO CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000474147690 1044687011 /nfs/dbraw/zinc/68/70/11/1044687011.db2.gz QSCOKJPDSBMYNP-INIZCTEOSA-N 1 1 348.425 4.466 20 30 EIEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000555092381 1044729818 /nfs/dbraw/zinc/72/98/18/1044729818.db2.gz PTLLIKNGPBZKAX-KRWDZBQOSA-N 1 1 333.357 4.253 20 30 EIEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000555092381 1044729841 /nfs/dbraw/zinc/72/98/41/1044729841.db2.gz PTLLIKNGPBZKAX-KRWDZBQOSA-N 1 1 333.357 4.253 20 30 EIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCc2ccccc21 ZINC000735306540 1044782742 /nfs/dbraw/zinc/78/27/42/1044782742.db2.gz PAMQDTQEWSSBHA-SFHVURJKSA-N 1 1 326.827 4.362 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000735308923 1044789293 /nfs/dbraw/zinc/78/92/93/1044789293.db2.gz YMSRHNZUOYXYGO-GOSISDBHSA-N 1 1 342.826 4.285 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000735308923 1044789310 /nfs/dbraw/zinc/78/93/10/1044789310.db2.gz YMSRHNZUOYXYGO-GOSISDBHSA-N 1 1 342.826 4.285 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000735305698 1044792297 /nfs/dbraw/zinc/79/22/97/1044792297.db2.gz CFFIGKJQRIBJGG-IBGZPJMESA-N 1 1 340.854 4.449 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000735309480 1044800015 /nfs/dbraw/zinc/80/00/15/1044800015.db2.gz FWASXJGGXCHTCA-INIZCTEOSA-N 1 1 326.827 4.232 20 30 EIEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000428879576 1044814997 /nfs/dbraw/zinc/81/49/97/1044814997.db2.gz HMASMXODXMENPA-GOSISDBHSA-N 1 1 341.499 4.143 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318570 1044830107 /nfs/dbraw/zinc/83/01/07/1044830107.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318570 1044830110 /nfs/dbraw/zinc/83/01/10/1044830110.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318570 1044830113 /nfs/dbraw/zinc/83/01/13/1044830113.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318571 1044831075 /nfs/dbraw/zinc/83/10/75/1044831075.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318571 1044831076 /nfs/dbraw/zinc/83/10/76/1044831076.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 1 1 339.508 4.105 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093318571 1044831077 /nfs/dbraw/zinc/83/10/77/1044831077.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 1 1 339.508 4.105 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499959047 1044841637 /nfs/dbraw/zinc/84/16/37/1044841637.db2.gz XPWHGNNMTUGPJF-KRWDZBQOSA-N 1 1 346.833 4.103 20 30 EIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000093841008 1044857087 /nfs/dbraw/zinc/85/70/87/1044857087.db2.gz GNYHESXKWBRLIB-CQSZACIVSA-N 1 1 343.521 4.335 20 30 EIEDMO Cc1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1C#N ZINC000487921287 1045158867 /nfs/dbraw/zinc/15/88/67/1045158867.db2.gz QVCHLFSEKWEQRO-UHFFFAOYSA-N 1 1 344.462 4.321 20 30 EIEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000739915000 1045174596 /nfs/dbraw/zinc/17/45/96/1045174596.db2.gz VEHBSOWCLZSSSF-UHFFFAOYSA-N 1 1 335.451 4.311 20 30 EIEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000739915000 1045174603 /nfs/dbraw/zinc/17/46/03/1045174603.db2.gz VEHBSOWCLZSSSF-UHFFFAOYSA-N 1 1 335.451 4.311 20 30 EIEDMO Cc1csc([C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)C2CC2)n1 ZINC000347794171 1045206252 /nfs/dbraw/zinc/20/62/52/1045206252.db2.gz YWDQZAJQVIDHHP-HNNXBMFYSA-N 1 1 349.406 4.166 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001272610542 1045208704 /nfs/dbraw/zinc/20/87/04/1045208704.db2.gz IGNVEAKWIFEAST-DYXWJJEUSA-N 1 1 347.547 4.067 20 30 EIEDMO C=CC[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477579 1045254055 /nfs/dbraw/zinc/25/40/55/1045254055.db2.gz VMPRVQGIVMTPBG-RTWAWAEBSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477579 1045254064 /nfs/dbraw/zinc/25/40/64/1045254064.db2.gz VMPRVQGIVMTPBG-RTWAWAEBSA-N 1 1 335.495 4.342 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000611285976 1045273468 /nfs/dbraw/zinc/27/34/68/1045273468.db2.gz CXGZHDSDYCVCPB-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000611276541 1045273326 /nfs/dbraw/zinc/27/33/26/1045273326.db2.gz JCSVSKRXDQAIJS-NRSPTQNISA-N 1 1 332.447 4.324 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611371287 1045290556 /nfs/dbraw/zinc/29/05/56/1045290556.db2.gz JEUCGCKNZYSTIX-CTNGQTDRSA-N 1 1 338.426 4.297 20 30 EIEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000611370407 1045291323 /nfs/dbraw/zinc/29/13/23/1045291323.db2.gz NENDGIVATWDXGI-SCTDSRPQSA-N 1 1 348.494 4.257 20 30 EIEDMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(C#N)c1 ZINC000611387716 1045294383 /nfs/dbraw/zinc/29/43/83/1045294383.db2.gz SHHBKZIDSFTJNP-LBPRGKRZSA-N 1 1 339.345 4.342 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000611394478 1045298872 /nfs/dbraw/zinc/29/88/72/1045298872.db2.gz LXNUSTFFTJFQRE-GOSISDBHSA-N 1 1 346.459 4.244 20 30 EIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC ZINC000193613456 1045392799 /nfs/dbraw/zinc/39/27/99/1045392799.db2.gz OLRLWANKNRZJGM-UHFFFAOYSA-N 1 1 336.435 4.130 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC000767764162 1045629154 /nfs/dbraw/zinc/62/91/54/1045629154.db2.gz GRHNVBLUESVFRM-MRXNPFEDSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC000767764162 1045629172 /nfs/dbraw/zinc/62/91/72/1045629172.db2.gz GRHNVBLUESVFRM-MRXNPFEDSA-N 1 1 334.533 4.336 20 30 EIEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791585743 1045777997 /nfs/dbraw/zinc/77/79/97/1045777997.db2.gz UHSCUXMQWMKJIJ-GXFFZTMASA-N 1 1 332.753 4.015 20 30 EIEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791585743 1045778002 /nfs/dbraw/zinc/77/80/02/1045778002.db2.gz UHSCUXMQWMKJIJ-GXFFZTMASA-N 1 1 332.753 4.015 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000768363692 1045798571 /nfs/dbraw/zinc/79/85/71/1045798571.db2.gz BRKHFMLIVIALJV-OAQYLSRUSA-N 1 1 333.479 4.101 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1C/N=C/c1cccc(O)c1O ZINC000915979424 1045851179 /nfs/dbraw/zinc/85/11/79/1045851179.db2.gz PDJQACSRQZNCEQ-SITPEIFSSA-N 1 1 338.451 4.091 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2ccccc2F)cc1)C[C@H](C)C#N ZINC000768880765 1045853037 /nfs/dbraw/zinc/85/30/37/1045853037.db2.gz HEHZNJOXKIAMQW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2ccccc2F)cc1)C[C@H](C)C#N ZINC000768880765 1045853031 /nfs/dbraw/zinc/85/30/31/1045853031.db2.gz HEHZNJOXKIAMQW-MRXNPFEDSA-N 1 1 326.415 4.386 20 30 EIEDMO C#CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 ZINC000769145193 1045883317 /nfs/dbraw/zinc/88/33/17/1045883317.db2.gz DTAATUZEYNRHGD-UHFFFAOYSA-N 1 1 346.478 4.232 20 30 EIEDMO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1ccc(N2CCOCC2)cc1 ZINC000916339939 1046000019 /nfs/dbraw/zinc/00/00/19/1046000019.db2.gz ZTPDYPHQXGLWQU-UHFFFAOYSA-N 1 1 337.467 4.285 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001170379459 1046034867 /nfs/dbraw/zinc/03/48/67/1046034867.db2.gz ZAAGMLCKASZDSQ-LXPRWKDFSA-N 1 1 336.401 4.460 20 30 EIEDMO CN(C[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000769728035 1046055948 /nfs/dbraw/zinc/05/59/48/1046055948.db2.gz IRBNDHLVFYRTLZ-MRXNPFEDSA-N 1 1 337.508 4.038 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)ccc1C#N ZINC000488135374 1046105852 /nfs/dbraw/zinc/10/58/52/1046105852.db2.gz FZSALKUBSZZXFE-HXUWFJFHSA-N 1 1 336.410 4.243 20 30 EIEDMO C=CC[C@H]1[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953414 1046108582 /nfs/dbraw/zinc/10/85/82/1046108582.db2.gz LYLBJUQWDSIHQR-QZTJIDSGSA-N 1 1 328.456 4.079 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792933968 1046113768 /nfs/dbraw/zinc/11/37/68/1046113768.db2.gz PZYTWIKADKEGGG-UHFFFAOYSA-N 1 1 346.780 4.407 20 30 EIEDMO Clc1cccc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000793173691 1046162531 /nfs/dbraw/zinc/16/25/31/1046162531.db2.gz BDZQURMJXNNQQR-CALCHBBNSA-N 1 1 340.858 4.330 20 30 EIEDMO CC(N=Nc1cccc(Cl)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793175397 1046164826 /nfs/dbraw/zinc/16/48/26/1046164826.db2.gz UBEBNIRMXBNTSL-MRXNPFEDSA-N 1 1 328.847 4.045 20 30 EIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000770294838 1046174724 /nfs/dbraw/zinc/17/47/24/1046174724.db2.gz QVLCTGHNLDIZIC-ICSRJNTNSA-N 1 1 340.492 4.488 20 30 EIEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282068265 1046314293 /nfs/dbraw/zinc/31/42/93/1046314293.db2.gz SSMJQWVIVVPUBE-WMZOPIPTSA-N 1 1 330.447 4.104 20 30 EIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179327829 1046322644 /nfs/dbraw/zinc/32/26/44/1046322644.db2.gz FYCIGVHMZDKGJJ-UHFFFAOYSA-N 1 1 337.467 4.067 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000508736531 1046454845 /nfs/dbraw/zinc/45/48/45/1046454845.db2.gz XOJWJIYFRYTHPW-UHFFFAOYSA-N 1 1 328.481 4.495 20 30 EIEDMO CCCCCCCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772391208 1046632549 /nfs/dbraw/zinc/63/25/49/1046632549.db2.gz XECOEWUDBKYXPM-UHFFFAOYSA-N 1 1 347.503 4.303 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)cc1OC ZINC000536667307 1046643842 /nfs/dbraw/zinc/64/38/42/1046643842.db2.gz WVCJMZWMLJHMHZ-IAGOWNOFSA-N 1 1 335.513 4.366 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1OC ZINC000127380081 1046661018 /nfs/dbraw/zinc/66/10/18/1046661018.db2.gz FYBOPPCQROWUPE-GOSISDBHSA-N 1 1 326.440 4.315 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CC)CCc2nccs2)cc1Cl ZINC000536697932 1046697550 /nfs/dbraw/zinc/69/75/50/1046697550.db2.gz ZQBJXSOMTHGCTK-UHFFFAOYSA-N 1 1 336.888 4.426 20 30 EIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459481742 1046708788 /nfs/dbraw/zinc/70/87/88/1046708788.db2.gz BFVJRVJLCWVSJI-LOWVWBTDSA-N 1 1 341.333 4.018 20 30 EIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459481742 1046708802 /nfs/dbraw/zinc/70/88/02/1046708802.db2.gz BFVJRVJLCWVSJI-LOWVWBTDSA-N 1 1 341.333 4.018 20 30 EIEDMO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000459538648 1046779412 /nfs/dbraw/zinc/77/94/12/1046779412.db2.gz DNCYJUUONTWSNQ-UHFFFAOYSA-N 1 1 338.426 4.498 20 30 EIEDMO C=CC[N@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C ZINC000917167823 1046795973 /nfs/dbraw/zinc/79/59/73/1046795973.db2.gz BYJSHGJSGXWXPW-UHFFFAOYSA-N 1 1 343.492 4.224 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C ZINC000917167823 1046795992 /nfs/dbraw/zinc/79/59/92/1046795992.db2.gz BYJSHGJSGXWXPW-UHFFFAOYSA-N 1 1 343.492 4.224 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc2c(s1)CCC2 ZINC000459650764 1046835061 /nfs/dbraw/zinc/83/50/61/1046835061.db2.gz NYQGAQTUABLBDJ-CQSZACIVSA-N 1 1 341.480 4.165 20 30 EIEDMO COc1ccc(CNc2c(C)c[nH+]c3c(OC)cccc23)cc1C#N ZINC000786793548 1046870575 /nfs/dbraw/zinc/87/05/75/1046870575.db2.gz WKMJFTDBAXURLA-UHFFFAOYSA-N 1 1 333.391 4.044 20 30 EIEDMO Cc1ccc(OCc2nc(C[NH2+]CC(C)(C)CC#N)cs2)cc1 ZINC000459736232 1046876153 /nfs/dbraw/zinc/87/61/53/1046876153.db2.gz UFURZPADWCIXFN-UHFFFAOYSA-N 1 1 329.469 4.060 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccn(C(C)C)c1=S ZINC000917457565 1046897585 /nfs/dbraw/zinc/89/75/85/1046897585.db2.gz LHEGZHIVBXUGOZ-UHFFFAOYSA-N 1 1 328.485 4.341 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccn(C(C)C)c1=S ZINC000917457565 1046897588 /nfs/dbraw/zinc/89/75/88/1046897588.db2.gz LHEGZHIVBXUGOZ-UHFFFAOYSA-N 1 1 328.485 4.341 20 30 EIEDMO CC(=[NH+]Nc1cccc2c1CCCC2)c1cccc(N2CCOCC2)c1 ZINC000917552573 1046986422 /nfs/dbraw/zinc/98/64/22/1046986422.db2.gz KRUQSDSWYCKCOR-UHFFFAOYSA-N 1 1 349.478 4.238 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1nccn1-c1ccccc1 ZINC000805749545 1047001023 /nfs/dbraw/zinc/00/10/23/1047001023.db2.gz YONZNXTUUFIDAD-DLBZAZTESA-N 1 1 346.434 4.186 20 30 EIEDMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491016 1047037717 /nfs/dbraw/zinc/03/77/17/1047037717.db2.gz HYVLUNLKDIZQMM-ZJPYXAASSA-N 1 1 349.519 4.179 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000806177162 1047163415 /nfs/dbraw/zinc/16/34/15/1047163415.db2.gz VERVVQFXOKZZIA-ROUUACIJSA-N 1 1 345.446 4.296 20 30 EIEDMO C#CCC[NH2+][C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000760295938 1047243467 /nfs/dbraw/zinc/24/34/67/1047243467.db2.gz NVPNPSMGAYOOMZ-LJQANCHMSA-N 1 1 329.827 4.060 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1cccc(C#N)c1 ZINC000788608261 1047245978 /nfs/dbraw/zinc/24/59/78/1047245978.db2.gz DGFLSWUWXBSCKB-QWRGUYRKSA-N 1 1 348.219 4.267 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000666866682 1047267597 /nfs/dbraw/zinc/26/75/97/1047267597.db2.gz YDYVMTHDNHMHJA-KRWDZBQOSA-N 1 1 329.488 4.144 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170091130 1047326931 /nfs/dbraw/zinc/32/69/31/1047326931.db2.gz WTIPTHAPLNEUIM-OAHLLOKOSA-N 1 1 338.430 4.079 20 30 EIEDMO Cc1cc[nH+]c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000237869750 1047338375 /nfs/dbraw/zinc/33/83/75/1047338375.db2.gz PKIFLEDTAHBWGW-UHFFFAOYSA-N 1 1 329.403 4.453 20 30 EIEDMO CC(C)(C)OC(=O)Nc1cc(NCc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001170094476 1047348519 /nfs/dbraw/zinc/34/85/19/1047348519.db2.gz RBXFUUPTFHMKHR-UHFFFAOYSA-N 1 1 342.374 4.051 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000789326108 1047403089 /nfs/dbraw/zinc/40/30/89/1047403089.db2.gz NKTCDPSPEUSRCA-AWEZNQCLSA-N 1 1 335.373 4.118 20 30 EIEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000789326108 1047403099 /nfs/dbraw/zinc/40/30/99/1047403099.db2.gz NKTCDPSPEUSRCA-AWEZNQCLSA-N 1 1 335.373 4.118 20 30 EIEDMO C=CCCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000476313864 1047465951 /nfs/dbraw/zinc/46/59/51/1047465951.db2.gz LFVNTMPOBUDAKO-GOSISDBHSA-N 1 1 332.532 4.236 20 30 EIEDMO C=C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000533912703 1047482862 /nfs/dbraw/zinc/48/28/62/1047482862.db2.gz VQNFMTITGKHAQI-UNMCSNQZSA-N 1 1 348.490 4.127 20 30 EIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000609280553 1047495920 /nfs/dbraw/zinc/49/59/20/1047495920.db2.gz AFTTXJPVFJFCJI-FQEVSTJZSA-N 1 1 336.435 4.173 20 30 EIEDMO C[C@@H]1CC(N=Nc2nccnc2C2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000807991822 1047565472 /nfs/dbraw/zinc/56/54/72/1047565472.db2.gz STTXIVGLADYEDV-MRXNPFEDSA-N 1 1 349.482 4.054 20 30 EIEDMO C=CC[N@H+](CC1CCCCC1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808157594 1047620326 /nfs/dbraw/zinc/62/03/26/1047620326.db2.gz LRIQRWZOZSIDGL-LJQANCHMSA-N 1 1 341.499 4.017 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808157594 1047620348 /nfs/dbraw/zinc/62/03/48/1047620348.db2.gz LRIQRWZOZSIDGL-LJQANCHMSA-N 1 1 341.499 4.017 20 30 EIEDMO COc1cc2c(c(C[NH2+][C@@H](CCC#N)c3ccccc3)c1)O[C@@H](C)C2 ZINC000130384847 1047704911 /nfs/dbraw/zinc/70/49/11/1047704911.db2.gz JHLYXPVQZOGFSK-YWZLYKJASA-N 1 1 336.435 4.153 20 30 EIEDMO C=C(Br)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000138486351 1047733070 /nfs/dbraw/zinc/73/30/70/1047733070.db2.gz JYMKTDBPVXLQGS-UHFFFAOYSA-N 1 1 349.272 4.265 20 30 EIEDMO C[N@@H+](Cc1cc2ccccc2o1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000747468365 1047850436 /nfs/dbraw/zinc/85/04/36/1047850436.db2.gz QHVKWODMAFMMBZ-UHFFFAOYSA-N 1 1 342.402 4.257 20 30 EIEDMO C[N@H+](Cc1cc2ccccc2o1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000747468365 1047850439 /nfs/dbraw/zinc/85/04/39/1047850439.db2.gz QHVKWODMAFMMBZ-UHFFFAOYSA-N 1 1 342.402 4.257 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000556839938 1048055033 /nfs/dbraw/zinc/05/50/33/1048055033.db2.gz RYAXGOXDEHOMKV-IBGZPJMESA-N 1 1 331.504 4.334 20 30 EIEDMO C[C@H](C#N)OCC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000808780997 1048106296 /nfs/dbraw/zinc/10/62/96/1048106296.db2.gz JEASWRWQTUAJDF-GFCCVEGCSA-N 1 1 327.255 4.101 20 30 EIEDMO C#CCCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675838 1048114653 /nfs/dbraw/zinc/11/46/53/1048114653.db2.gz USTMFRMIZKDEBB-MRXNPFEDSA-N 1 1 325.374 4.271 20 30 EIEDMO COc1cccc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732027 1048180136 /nfs/dbraw/zinc/18/01/36/1048180136.db2.gz MAMJOWXNJIBGIQ-MRXNPFEDSA-N 1 1 326.827 4.210 20 30 EIEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732027 1048180141 /nfs/dbraw/zinc/18/01/41/1048180141.db2.gz MAMJOWXNJIBGIQ-MRXNPFEDSA-N 1 1 326.827 4.210 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001143767765 1048186505 /nfs/dbraw/zinc/18/65/05/1048186505.db2.gz LVRUEYYGAJKQNZ-IBGZPJMESA-N 1 1 342.389 4.188 20 30 EIEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OCc1ccccc1 ZINC000556910034 1048186660 /nfs/dbraw/zinc/18/66/60/1048186660.db2.gz SERIDEYZBMGOSR-UHFFFAOYSA-N 1 1 338.451 4.256 20 30 EIEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OCc1ccccc1 ZINC000556910034 1048186666 /nfs/dbraw/zinc/18/66/66/1048186666.db2.gz SERIDEYZBMGOSR-UHFFFAOYSA-N 1 1 338.451 4.256 20 30 EIEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001143769462 1048189056 /nfs/dbraw/zinc/18/90/56/1048189056.db2.gz NHDHUWJYNVHZBE-IBGZPJMESA-N 1 1 342.389 4.188 20 30 EIEDMO C=C(C)C[N@H+](C[C@@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC001171143187 1048451338 /nfs/dbraw/zinc/45/13/38/1048451338.db2.gz JHBCGTZQSKQGCH-XMSQKQJNSA-N 1 1 339.479 4.238 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cn1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144166801 1048478569 /nfs/dbraw/zinc/47/85/69/1048478569.db2.gz WSWSNRKQHGIAJZ-JOCHJYFZSA-N 1 1 345.446 4.050 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175625 1048575073 /nfs/dbraw/zinc/57/50/73/1048575073.db2.gz YZKLFLJJKFJMJT-SNDVWAGDSA-N 1 1 345.446 4.195 20 30 EIEDMO C[NH+](C)[C@@H](CNc1cccc(CC#N)n1)c1ccc(Cl)cc1Cl ZINC001170590879 1048582793 /nfs/dbraw/zinc/58/27/93/1048582793.db2.gz ZLGDCOFFVXXEBX-INIZCTEOSA-N 1 1 349.265 4.169 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CCCCC1 ZINC001144356586 1048613253 /nfs/dbraw/zinc/61/32/53/1048613253.db2.gz DCMPXQSIQHBBOM-UHFFFAOYSA-N 1 1 328.378 4.343 20 30 EIEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(SC(F)F)cc1 ZINC000810148202 1048655131 /nfs/dbraw/zinc/65/51/31/1048655131.db2.gz WAEUCVBCYGKTSE-VIFPVBQESA-N 1 1 325.409 4.180 20 30 EIEDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000748050414 1048735903 /nfs/dbraw/zinc/73/59/03/1048735903.db2.gz AKSGHSOLUPLDLW-CYBMUJFWSA-N 1 1 340.398 4.189 20 30 EIEDMO C#CCCCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456289 1048805531 /nfs/dbraw/zinc/80/55/31/1048805531.db2.gz FGHIMHLKYKDOPX-AZUAARDMSA-N 1 1 327.468 4.024 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001171211413 1048808792 /nfs/dbraw/zinc/80/87/92/1048808792.db2.gz ZDDCOZIAPSAZPD-LJQANCHMSA-N 1 1 347.506 4.086 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743734 1048848503 /nfs/dbraw/zinc/84/85/03/1048848503.db2.gz XORVWXQIXNAYRO-KRWDZBQOSA-N 1 1 349.459 4.211 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222083 1048858638 /nfs/dbraw/zinc/85/86/38/1048858638.db2.gz CQJYMCGRLJXPGG-AUSIDOKSSA-N 1 1 347.506 4.086 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)c1F ZINC001170615340 1048864763 /nfs/dbraw/zinc/86/47/63/1048864763.db2.gz YKAFCHPMPDNUKG-UHFFFAOYSA-N 1 1 338.426 4.005 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171228725 1048867039 /nfs/dbraw/zinc/86/70/39/1048867039.db2.gz IJJAAWGGUJBYTI-QZTJIDSGSA-N 1 1 344.462 4.409 20 30 EIEDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)CC1CCC(C#N)CC1 ZINC001171229126 1048868785 /nfs/dbraw/zinc/86/87/85/1048868785.db2.gz HXMXYEDJVYZJJP-UHFFFAOYSA-N 1 1 338.854 4.257 20 30 EIEDMO COc1cccc([C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233148 1048872038 /nfs/dbraw/zinc/87/20/38/1048872038.db2.gz ZHWVKXSCCHRXSS-LAUBAEHRSA-N 1 1 334.463 4.377 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846755768 1048890343 /nfs/dbraw/zinc/89/03/43/1048890343.db2.gz DPLYBEUBEUPFKA-BOHNGVCUSA-N 1 1 327.255 4.135 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846755768 1048890345 /nfs/dbraw/zinc/89/03/45/1048890345.db2.gz DPLYBEUBEUPFKA-BOHNGVCUSA-N 1 1 327.255 4.135 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860488 1048931712 /nfs/dbraw/zinc/93/17/12/1048931712.db2.gz IVJNVHHEYCHQSA-WOJBJXKFSA-N 1 1 338.426 4.375 20 30 EIEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000076801926 1048944045 /nfs/dbraw/zinc/94/40/45/1048944045.db2.gz ZDEFBLJKEVFYCY-STQMWFEESA-N 1 1 345.512 4.068 20 30 EIEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@H+]1C ZINC000811221793 1048995611 /nfs/dbraw/zinc/99/56/11/1048995611.db2.gz OZKPMCIJIBXNLC-HOTGVXAUSA-N 1 1 349.434 4.019 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817575955 1049006958 /nfs/dbraw/zinc/00/69/58/1049006958.db2.gz LRPHCPIBBFJQJA-CQSZACIVSA-N 1 1 348.269 4.018 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000135141263 1049076516 /nfs/dbraw/zinc/07/65/16/1049076516.db2.gz DTBIPVWCXJIHSF-IBGZPJMESA-N 1 1 338.451 4.262 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(Cl)cc1 ZINC000811517028 1049101840 /nfs/dbraw/zinc/10/18/40/1049101840.db2.gz FZRHKZMMYXRJLT-KRWDZBQOSA-N 1 1 335.781 4.448 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccc(Cl)cc1 ZINC000811517092 1049102639 /nfs/dbraw/zinc/10/26/39/1049102639.db2.gz HVYMUMRSYBKTSK-IBGZPJMESA-N 1 1 343.854 4.349 20 30 EIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345671 1049126107 /nfs/dbraw/zinc/12/61/07/1049126107.db2.gz WRAYENQMRQUXJY-RDJZCZTQSA-N 1 1 345.512 4.141 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541394 1049141999 /nfs/dbraw/zinc/14/19/99/1049141999.db2.gz MULATULDULMYOJ-KRWDZBQOSA-N 1 1 326.827 4.080 20 30 EIEDMO C=CCn1c(C)nn(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1=S ZINC000064433207 1049156718 /nfs/dbraw/zinc/15/67/18/1049156718.db2.gz OZPHVGFWDODSJF-UHFFFAOYSA-N 1 1 346.475 4.064 20 30 EIEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772196 1049311309 /nfs/dbraw/zinc/31/13/09/1049311309.db2.gz ZEGLMLZWDCJUCV-GOSISDBHSA-N 1 1 347.890 4.097 20 30 EIEDMO C[C@@H]1SCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829485 1049348629 /nfs/dbraw/zinc/34/86/29/1049348629.db2.gz XPHRXLKLMOZRFP-JXFKEZNVSA-N 1 1 338.476 4.116 20 30 EIEDMO COc1ccc(F)cc1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000812243440 1049398737 /nfs/dbraw/zinc/39/87/37/1049398737.db2.gz MGZDXPGJNTUEGI-UITAMQMPSA-N 1 1 336.366 4.225 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1sccc1Br ZINC000773030154 1049541799 /nfs/dbraw/zinc/54/17/99/1049541799.db2.gz LPGCYYZKBVSVLH-SECBINFHSA-N 1 1 339.233 4.372 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(O[C@@H](C)CC)c1)c1ccc(F)cc1 ZINC000812792659 1049579164 /nfs/dbraw/zinc/57/91/64/1049579164.db2.gz GARZSJQCEYPJRC-KXBFYZLASA-N 1 1 341.426 4.476 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)nc1)c1ccc(F)cc1 ZINC000812792037 1049590027 /nfs/dbraw/zinc/59/00/27/1049590027.db2.gz IXIPHYZEKUWHQJ-NRFANRHFSA-N 1 1 345.421 4.453 20 30 EIEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)n1C ZINC000821021108 1049590687 /nfs/dbraw/zinc/59/06/87/1049590687.db2.gz DITZQVCGXOTWNF-YPKPFQOOSA-N 1 1 331.419 4.049 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000812794250 1049591208 /nfs/dbraw/zinc/59/12/08/1049591208.db2.gz WRLYZBGYZWRWDM-QGZVFWFLSA-N 1 1 337.316 4.231 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCC(=C)C)c1)c1ccc(F)cc1 ZINC000812794126 1049593200 /nfs/dbraw/zinc/59/32/00/1049593200.db2.gz RZGRAEWHMAXCJE-IBGZPJMESA-N 1 1 339.410 4.253 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H]2C(=O)OCC)cc1 ZINC001170965655 1049643376 /nfs/dbraw/zinc/64/33/76/1049643376.db2.gz LDGMHFJQZMNTBR-SLFFLAALSA-N 1 1 342.483 4.153 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715719 1049703945 /nfs/dbraw/zinc/70/39/45/1049703945.db2.gz XQUJAANLTBSXSE-TZMOSPSESA-N 1 1 345.490 4.262 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715719 1049703956 /nfs/dbraw/zinc/70/39/56/1049703956.db2.gz XQUJAANLTBSXSE-TZMOSPSESA-N 1 1 345.490 4.262 20 30 EIEDMO Cc1[nH+]c2ccc(NCCOc3ccc(C#N)cc3)cc2n1C(C)C ZINC001171484742 1049716787 /nfs/dbraw/zinc/71/67/87/1049716787.db2.gz XBWXKKZGXHXEMW-UHFFFAOYSA-N 1 1 334.423 4.288 20 30 EIEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(C)(C)C ZINC001171616522 1049767316 /nfs/dbraw/zinc/76/73/16/1049767316.db2.gz CHUNYMHVRIOQEH-TWOQFEAHSA-N 1 1 349.519 4.036 20 30 EIEDMO N#C[C@@H]1CC[N@H+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654604 1049770915 /nfs/dbraw/zinc/77/09/15/1049770915.db2.gz 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N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172064887 1049851875 /nfs/dbraw/zinc/85/18/75/1049851875.db2.gz IARXKJOPRGOCHP-WBDAEOGXSA-N 1 1 345.490 4.234 20 30 EIEDMO C=CCCC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001136755520 1049865025 /nfs/dbraw/zinc/86/50/25/1049865025.db2.gz YWYQLEPDJKGWML-WOJBJXKFSA-N 1 1 328.500 4.117 20 30 EIEDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308510 1049874506 /nfs/dbraw/zinc/87/45/06/1049874506.db2.gz KWLONSJADIWGJR-ZWKOTPCHSA-N 1 1 336.479 4.451 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001172309945 1049875050 /nfs/dbraw/zinc/87/50/50/1049875050.db2.gz YINVSHQMOIMEEM-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccc(Br)cc2C1 ZINC001172309945 1049875053 /nfs/dbraw/zinc/87/50/53/1049875053.db2.gz YINVSHQMOIMEEM-CYBMUJFWSA-N 1 1 341.252 4.268 20 30 EIEDMO COc1cccc([C@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313567 1049875903 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EIEDMO CC(C)[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172508992 1049925747 /nfs/dbraw/zinc/92/57/47/1049925747.db2.gz IWKLYOBLTBLUDP-DLBZAZTESA-N 1 1 337.508 4.179 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172511456 1049926746 /nfs/dbraw/zinc/92/67/46/1049926746.db2.gz REIKKJGKBAPAJW-MOPGFXCFSA-N 1 1 335.536 4.491 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645880 1049955191 /nfs/dbraw/zinc/95/51/91/1049955191.db2.gz PBHHUNIKNZMYGK-SQGPQFPESA-N 1 1 349.519 4.180 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000246437882 1049973594 /nfs/dbraw/zinc/97/35/94/1049973594.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000246437882 1049973597 /nfs/dbraw/zinc/97/35/97/1049973597.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 1 1 339.527 4.303 20 30 EIEDMO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791749 1050158397 /nfs/dbraw/zinc/15/83/97/1050158397.db2.gz NBYHFDGRCOUXSE-IEBWSBKVSA-N 1 1 334.504 4.437 20 30 EIEDMO CCCOC1CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173100641 1050302136 /nfs/dbraw/zinc/30/21/36/1050302136.db2.gz QPWQDAORTDGQDB-GRERDSQWSA-N 1 1 342.483 4.139 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@H](CC)C3)C2)CC1 ZINC001173275875 1050392215 /nfs/dbraw/zinc/39/22/15/1050392215.db2.gz WIAJEAUALQMPOO-ZWKOTPCHSA-N 1 1 334.504 4.066 20 30 EIEDMO C=CCOC1CCC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173327741 1050420638 /nfs/dbraw/zinc/42/06/38/1050420638.db2.gz QYEAPJPTKZVZLD-UHFFFAOYSA-N 1 1 328.500 4.232 20 30 EIEDMO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173331016 1050421963 /nfs/dbraw/zinc/42/19/63/1050421963.db2.gz JTBIKSFVCOGOKM-NALMEZQBSA-N 1 1 349.519 4.084 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173337003 1050424187 /nfs/dbraw/zinc/42/41/87/1050424187.db2.gz VJRLRZHYBORBHO-HIEASXQVSA-N 1 1 349.519 4.227 20 30 EIEDMO Cc1cc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000618594226 1050428842 /nfs/dbraw/zinc/42/88/42/1050428842.db2.gz SYNJTYFXFGOAGE-STQMWFEESA-N 1 1 336.279 4.039 20 30 EIEDMO CC(C)[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341004 1050430025 /nfs/dbraw/zinc/43/00/25/1050430025.db2.gz PNWJEJSEWLVIOH-DAWZGUTISA-N 1 1 349.519 4.179 20 30 EIEDMO C=CCOC1CCC([NH+]2CCC(N)(c3cccc(Cl)c3)CC2)CC1 ZINC001173317162 1050438496 /nfs/dbraw/zinc/43/84/96/1050438496.db2.gz BUESQFPRHXXHOC-UHFFFAOYSA-N 1 1 348.918 4.104 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001173320456 1050441359 /nfs/dbraw/zinc/44/13/59/1050441359.db2.gz OEQYPRCXAXDBOE-NGICGMGXSA-N 1 1 345.483 4.052 20 30 EIEDMO C=CCCCC[N@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173419376 1050450229 /nfs/dbraw/zinc/45/02/29/1050450229.db2.gz CABGHGYACILDTI-UHFFFAOYSA-N 1 1 334.891 4.233 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173595742 1050496140 /nfs/dbraw/zinc/49/61/40/1050496140.db2.gz VHZQZKITQWLYIU-OVESXRPUSA-N 1 1 338.495 4.498 20 30 EIEDMO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173592431 1050497068 /nfs/dbraw/zinc/49/70/68/1050497068.db2.gz NZKYKVWVOOVYJD-UHFFFAOYSA-N 1 1 342.483 4.303 20 30 EIEDMO CC1(C#N)CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001173595673 1050497155 /nfs/dbraw/zinc/49/71/55/1050497155.db2.gz SHXMDQNYFZTCAN-SDEKRAFDSA-N 1 1 339.483 4.035 20 30 EIEDMO CC1(C#N)CCC(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001173596983 1050500578 /nfs/dbraw/zinc/50/05/78/1050500578.db2.gz CTMAADZKNADXGD-IRQNMHNUSA-N 1 1 337.511 4.154 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000618779469 1050520891 /nfs/dbraw/zinc/52/08/91/1050520891.db2.gz YSQJDVWZHHPPPM-SNVBAGLBSA-N 1 1 325.359 4.193 20 30 EIEDMO COc1cccc(-c2csc(C[NH2+]Cc3ccc(C#N)s3)n2)c1 ZINC001178981583 1050592383 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N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001179961654 1050848910 /nfs/dbraw/zinc/84/89/10/1050848910.db2.gz GWZYGLCAQUFQIT-MSOLQXFVSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001179961654 1050848918 /nfs/dbraw/zinc/84/89/18/1050848918.db2.gz GWZYGLCAQUFQIT-MSOLQXFVSA-N 1 1 326.827 4.317 20 30 EIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](c1ccccc1)C(C)C ZINC001180185138 1050896591 /nfs/dbraw/zinc/89/65/91/1050896591.db2.gz XNOPREPOIPFCFA-JOCHJYFZSA-N 1 1 336.479 4.446 20 30 EIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC001180185101 1050897802 /nfs/dbraw/zinc/89/78/02/1050897802.db2.gz WPYSAMMJSFLSRW-SFHVURJKSA-N 1 1 326.390 4.434 20 30 EIEDMO COCc1csc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC001180154772 1050901269 /nfs/dbraw/zinc/90/12/69/1050901269.db2.gz WYEQUJZTEHRFKU-UHFFFAOYSA-N 1 1 328.481 4.424 20 30 EIEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC001180203682 1050914079 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C=CCOc1ccc(C[N@H+](C[C@H]2COC(C)(C)O2)C(C)(C)C)cc1 ZINC001192052966 1051626046 /nfs/dbraw/zinc/62/60/46/1051626046.db2.gz RTJUUJMWZNPMAC-SFHVURJKSA-N 1 1 333.472 4.003 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001182523133 1051631347 /nfs/dbraw/zinc/63/13/47/1051631347.db2.gz ZDSLVILPBCFFQW-IBGZPJMESA-N 1 1 327.468 4.015 20 30 EIEDMO N#Cc1cc(F)cc(F)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506628 1051640175 /nfs/dbraw/zinc/64/01/75/1051640175.db2.gz KDTMZXXRPRPHMU-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172325 1051645129 /nfs/dbraw/zinc/64/51/29/1051645129.db2.gz BGMWAEDQKIBEAG-KDOFPFPSSA-N 1 1 347.890 4.441 20 30 EIEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001192216035 1051667426 /nfs/dbraw/zinc/66/74/26/1051667426.db2.gz YMSKLSYZNHEYDN-INIZCTEOSA-N 1 1 333.863 4.195 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CCC2CCCCC2)cc1 ZINC001192234453 1051673887 /nfs/dbraw/zinc/67/38/87/1051673887.db2.gz QDCZEZPKXZGGHM-HXUWFJFHSA-N 1 1 339.483 4.322 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046066 1051944362 /nfs/dbraw/zinc/94/43/62/1051944362.db2.gz SGWPLNCCTZWWRH-ZRBLBEILSA-N 1 1 346.474 4.442 20 30 EIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)CCCC1(C)C ZINC001193919987 1052029026 /nfs/dbraw/zinc/02/90/26/1052029026.db2.gz IRZHCAFXGVFCOH-INIZCTEOSA-N 1 1 338.854 4.484 20 30 EIEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(F)cc2Cl)CCCC1(C)C ZINC001193919987 1052029045 /nfs/dbraw/zinc/02/90/45/1052029045.db2.gz IRZHCAFXGVFCOH-INIZCTEOSA-N 1 1 338.854 4.484 20 30 EIEDMO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC001176373714 1052044866 /nfs/dbraw/zinc/04/48/66/1052044866.db2.gz XOLILQLWNPPIOI-SFHVURJKSA-N 1 1 325.843 4.375 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C(C)(C)C ZINC001184636922 1052065432 /nfs/dbraw/zinc/06/54/32/1052065432.db2.gz BKMOTJUCJHIEQK-INIZCTEOSA-N 1 1 329.488 4.064 20 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COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC001195249953 1053343657 /nfs/dbraw/zinc/34/36/57/1053343657.db2.gz HYRSTVLDCPCOPA-OAHLLOKOSA-N 1 1 336.435 4.301 20 30 EIEDMO Cc1cc(F)ccc1N[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000750945760 1053345489 /nfs/dbraw/zinc/34/54/89/1053345489.db2.gz IVKSMEDAYDGVCD-UHFFFAOYSA-N 1 1 347.821 4.070 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC001195978401 1053539705 /nfs/dbraw/zinc/53/97/05/1053539705.db2.gz MSPTXPRITJJEFU-GOSISDBHSA-N 1 1 347.849 4.124 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776581004 1053562785 /nfs/dbraw/zinc/56/27/85/1053562785.db2.gz BRQQNONUAYMGGV-SJORKVTESA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776581003 1053563185 /nfs/dbraw/zinc/56/31/85/1053563185.db2.gz BRQQNONUAYMGGV-IRXDYDNUSA-N 1 1 349.519 4.038 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1F ZINC000852521362 1053586715 /nfs/dbraw/zinc/58/67/15/1053586715.db2.gz OCLFRTICMHOLJU-LJQANCHMSA-N 1 1 340.398 4.074 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315098 1053629837 /nfs/dbraw/zinc/62/98/37/1053629837.db2.gz ZPFVAJCBWFGCDN-SJLPKXTDSA-N 1 1 341.417 4.430 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261631 1053667165 /nfs/dbraw/zinc/66/71/65/1053667165.db2.gz XSYCIPZUVRVZBH-CYBMUJFWSA-N 1 1 333.863 4.172 20 30 EIEDMO CC(C)c1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853355907 1053670933 /nfs/dbraw/zinc/67/09/33/1053670933.db2.gz LMVYAWJEGHSQEL-UHFFFAOYSA-N 1 1 337.467 4.217 20 30 EIEDMO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866283152 1053677423 /nfs/dbraw/zinc/67/74/23/1053677423.db2.gz RHCUTZYZYJPIOV-LBPRGKRZSA-N 1 1 332.350 4.025 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](CCc1c(F)cccc1Cl)C2 ZINC001196622998 1053715350 /nfs/dbraw/zinc/71/53/50/1053715350.db2.gz NMRIQOFVJYAWDC-UHFFFAOYSA-N 1 1 328.818 4.146 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001196693385 1053728077 /nfs/dbraw/zinc/72/80/77/1053728077.db2.gz MDTPRTOEFQCEQC-UHFFFAOYSA-N 1 1 346.352 4.014 20 30 EIEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001197863319 1054018471 /nfs/dbraw/zinc/01/84/71/1054018471.db2.gz CXSPMQJQEMNEBO-QGZVFWFLSA-N 1 1 344.911 4.411 20 30 EIEDMO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001198026857 1054060438 /nfs/dbraw/zinc/06/04/38/1054060438.db2.gz JLNHSPNOWZRXPX-SFHVURJKSA-N 1 1 325.843 4.375 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000123455466 1054149619 /nfs/dbraw/zinc/14/96/19/1054149619.db2.gz MAPABKWTRRGICB-HXUWFJFHSA-N 1 1 348.471 4.356 20 30 EIEDMO N#CC[C@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000888574800 1054213795 /nfs/dbraw/zinc/21/37/95/1054213795.db2.gz QJMXUYSYELIQPW-GOSISDBHSA-N 1 1 348.450 4.098 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001198684484 1054232737 /nfs/dbraw/zinc/23/27/37/1054232737.db2.gz BLMZMPGARDPJNP-MSOLQXFVSA-N 1 1 337.385 4.090 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(O)c2F)cc(OC)c1OC ZINC000872047242 1054358233 /nfs/dbraw/zinc/35/82/33/1054358233.db2.gz QNFVSMYBXOGYDC-ZDUSSCGKSA-N 1 1 345.414 4.128 20 30 EIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2F)c1 ZINC000872045622 1054359216 /nfs/dbraw/zinc/35/92/16/1054359216.db2.gz QAHNLASBFKMUMR-ZFWWWQNUSA-N 1 1 328.387 4.063 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872081404 1054383143 /nfs/dbraw/zinc/38/31/43/1054383143.db2.gz XTIAPKBQXQULJI-PXAZEXFGSA-N 1 1 339.370 4.334 20 30 EIEDMO N#CC1(CC[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052727 1054410066 /nfs/dbraw/zinc/41/00/66/1054410066.db2.gz ZNJSMSCNAASBLL-LJQANCHMSA-N 1 1 339.483 4.276 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1(C)C ZINC000858165563 1054428879 /nfs/dbraw/zinc/42/88/79/1054428879.db2.gz JUKSINCYHVCDPT-MRXNPFEDSA-N 1 1 336.439 4.030 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1(C)C ZINC000858165561 1054429605 /nfs/dbraw/zinc/42/96/05/1054429605.db2.gz JUKSINCYHVCDPT-INIZCTEOSA-N 1 1 336.439 4.030 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277910 1054433678 /nfs/dbraw/zinc/43/36/78/1054433678.db2.gz ASRAIQGJAPVDCV-GOSISDBHSA-N 1 1 348.874 4.166 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000776013425 1054438727 /nfs/dbraw/zinc/43/87/27/1054438727.db2.gz GPMNEPTWKPJUJJ-QHCPKHFHSA-N 1 1 347.458 4.110 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014461 1054440013 /nfs/dbraw/zinc/44/00/13/1054440013.db2.gz RTFXJXFOCHCEII-YOEHRIQHSA-N 1 1 325.374 4.252 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000776014014 1054441290 /nfs/dbraw/zinc/44/12/90/1054441290.db2.gz QEMCHQABPLGAMN-UHFFFAOYSA-N 1 1 331.463 4.084 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012670 1054444954 /nfs/dbraw/zinc/44/49/54/1054444954.db2.gz INULANRJXJZZKO-IOASZLSFSA-N 1 1 326.362 4.140 20 30 EIEDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000776153250 1054750179 /nfs/dbraw/zinc/75/01/79/1054750179.db2.gz AOYKRNJRINWSOQ-GHTZIAJQSA-N 1 1 343.515 4.140 20 30 EIEDMO CCCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201630494 1054859479 /nfs/dbraw/zinc/85/94/79/1054859479.db2.gz BLUMSMMUHBRIGD-GOSISDBHSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001201631311 1054860603 /nfs/dbraw/zinc/86/06/03/1054860603.db2.gz OYPZGBVYIJHFDA-UYAOXDASSA-N 1 1 349.519 4.109 20 30 EIEDMO CCCCCCCCCCCN1CC[NH+](CCC(C)(C)O)CC1 ZINC001201630947 1054860657 /nfs/dbraw/zinc/86/06/57/1054860657.db2.gz JLNKKCWNBGMWHG-UHFFFAOYSA-N 1 1 326.569 4.296 20 30 EIEDMO C=CCN1CC[C@@]2(C[N@@H+](CCCCCC)C[C@@H]2c2ccccc2)C1=O ZINC001201746972 1054894544 /nfs/dbraw/zinc/89/45/44/1054894544.db2.gz QWJWEPJTFBYVRG-IRLDBZIGSA-N 1 1 340.511 4.071 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001201797706 1054909500 /nfs/dbraw/zinc/90/95/00/1054909500.db2.gz DICSOBQLRODGBM-GOSISDBHSA-N 1 1 337.529 4.240 20 30 EIEDMO CCCCCCCC[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201814620 1054911268 /nfs/dbraw/zinc/91/12/68/1054911268.db2.gz QRCRUVVPRCGAAY-WIYYLYMNSA-N 1 1 343.515 4.117 20 30 EIEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC(C)C)C1 ZINC001201814168 1054912625 /nfs/dbraw/zinc/91/26/25/1054912625.db2.gz MOHLRYFBGKQKFH-SFHVURJKSA-N 1 1 335.536 4.352 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201814239 1054913031 /nfs/dbraw/zinc/91/30/31/1054913031.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 1 1 335.561 4.400 20 30 EIEDMO CCCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001201776474 1054916277 /nfs/dbraw/zinc/91/62/77/1054916277.db2.gz DIRHQJPGKJTBHT-FCHUYYIVSA-N 1 1 342.527 4.221 20 30 EIEDMO CCCCCCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001201852791 1054923894 /nfs/dbraw/zinc/92/38/94/1054923894.db2.gz LOWFVKDFMVQOHA-ZDUSSCGKSA-N 1 1 332.414 4.424 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001201852791 1054923904 /nfs/dbraw/zinc/92/39/04/1054923904.db2.gz LOWFVKDFMVQOHA-ZDUSSCGKSA-N 1 1 332.414 4.424 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201838641 1054931002 /nfs/dbraw/zinc/93/10/02/1054931002.db2.gz AIRDVPCMJDWZOZ-OKZBNKHCSA-N 1 1 335.492 4.281 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201838642 1054931439 /nfs/dbraw/zinc/93/14/39/1054931439.db2.gz AIRDVPCMJDWZOZ-RCCFBDPRSA-N 1 1 335.492 4.281 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001201838729 1054931718 /nfs/dbraw/zinc/93/17/18/1054931718.db2.gz FCLJVLAGSRVLQR-LJQANCHMSA-N 1 1 347.547 4.497 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201840177 1054933952 /nfs/dbraw/zinc/93/39/52/1054933952.db2.gz WBZFGMYDGRBROR-VQTJNVASSA-N 1 1 343.515 4.007 20 30 EIEDMO CCC[N@@H+](C[C@H](C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876623129 1054939663 /nfs/dbraw/zinc/93/96/63/1054939663.db2.gz VRULHBXKAQHNPN-MRXNPFEDSA-N 1 1 337.508 4.038 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001201875399 1054940683 /nfs/dbraw/zinc/94/06/83/1054940683.db2.gz YFDBDABWHHSMIR-UHFFFAOYSA-N 1 1 336.524 4.159 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001201875399 1054940686 /nfs/dbraw/zinc/94/06/86/1054940686.db2.gz YFDBDABWHHSMIR-UHFFFAOYSA-N 1 1 336.524 4.159 20 30 EIEDMO CCCCCCCCCC[N@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001201874843 1054941760 /nfs/dbraw/zinc/94/17/60/1054941760.db2.gz IUINAXKBKFPWHU-IPMKNSEASA-N 1 1 349.519 4.151 20 30 EIEDMO C#CCCCCCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000876754026 1054955636 /nfs/dbraw/zinc/95/56/36/1054955636.db2.gz AQLSOOSXKWPYKM-UHFFFAOYSA-N 1 1 343.471 4.482 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)CCCC2 ZINC000876897454 1054977686 /nfs/dbraw/zinc/97/76/86/1054977686.db2.gz SXMBEYBKKSUUIC-ZDUSSCGKSA-N 1 1 325.843 4.336 20 30 EIEDMO N#Cc1ccc(F)c(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067024 1055011437 /nfs/dbraw/zinc/01/14/37/1055011437.db2.gz AGPVFITUFNHFJZ-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067024 1055011453 /nfs/dbraw/zinc/01/14/53/1055011453.db2.gz AGPVFITUFNHFJZ-UGKGYDQZSA-N 1 1 349.453 4.155 20 30 EIEDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877088047 1055016866 /nfs/dbraw/zinc/01/68/66/1055016866.db2.gz ZWJPZXISIGXTLO-CQSZACIVSA-N 1 1 343.858 4.382 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000877557550 1055080541 /nfs/dbraw/zinc/08/05/41/1055080541.db2.gz NKENEACILVJBEP-INIZCTEOSA-N 1 1 333.769 4.052 20 30 EIEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877818278 1055127748 /nfs/dbraw/zinc/12/77/48/1055127748.db2.gz ZHWDDBIOFTVJTA-UHFFFAOYSA-N 1 1 347.462 4.004 20 30 EIEDMO Cc1csc([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000877814469 1055127954 /nfs/dbraw/zinc/12/79/54/1055127954.db2.gz ZNAOIXLLIVYBGQ-KRWDZBQOSA-N 1 1 341.480 4.124 20 30 EIEDMO COc1cccc(N[NH+]=Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000794481691 1055137578 /nfs/dbraw/zinc/13/75/78/1055137578.db2.gz JWICAJHFRONASM-UHFFFAOYSA-N 1 1 337.345 4.226 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000877902684 1055147566 /nfs/dbraw/zinc/14/75/66/1055147566.db2.gz DYAFGKQDBUMNEY-GOSISDBHSA-N 1 1 346.883 4.274 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000877902684 1055147576 /nfs/dbraw/zinc/14/75/76/1055147576.db2.gz DYAFGKQDBUMNEY-GOSISDBHSA-N 1 1 346.883 4.274 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942062 1055159055 /nfs/dbraw/zinc/15/90/55/1055159055.db2.gz URFSQDLUVLEHRE-HXUWFJFHSA-N 1 1 340.854 4.212 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942062 1055159062 /nfs/dbraw/zinc/15/90/62/1055159062.db2.gz URFSQDLUVLEHRE-HXUWFJFHSA-N 1 1 340.854 4.212 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)CCCCc1ccccc1)c1ccccc1 ZINC000877971898 1055165812 /nfs/dbraw/zinc/16/58/12/1055165812.db2.gz SEQYHLHBSSQBAW-QHCPKHFHSA-N 1 1 348.490 4.382 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106008 1055190360 /nfs/dbraw/zinc/19/03/60/1055190360.db2.gz JUCPCFWDSAOUFF-FCHUYYIVSA-N 1 1 336.479 4.249 20 30 EIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151408 1055195690 /nfs/dbraw/zinc/19/56/90/1055195690.db2.gz QHCJYSNRFIZWDF-XUVXKRRUSA-N 1 1 344.524 4.033 20 30 EIEDMO C=CC1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000111259623 1055217871 /nfs/dbraw/zinc/21/78/71/1055217871.db2.gz PPOLGWOTXDLIIZ-OAHLLOKOSA-N 1 1 347.528 4.095 20 30 EIEDMO C=CC1CC[NH+](Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000111256310 1055218720 /nfs/dbraw/zinc/21/87/20/1055218720.db2.gz HWOXLIWZZFAYJN-UHFFFAOYSA-N 1 1 344.480 4.129 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878524849 1055331117 /nfs/dbraw/zinc/33/11/17/1055331117.db2.gz SYDCUPORNTUWSY-QGZVFWFLSA-N 1 1 349.434 4.439 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878524849 1055331131 /nfs/dbraw/zinc/33/11/31/1055331131.db2.gz SYDCUPORNTUWSY-QGZVFWFLSA-N 1 1 349.434 4.439 20 30 EIEDMO C#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878760670 1055390593 /nfs/dbraw/zinc/39/05/93/1055390593.db2.gz KOBUQEYOCROZNC-INIZCTEOSA-N 1 1 331.419 4.125 20 30 EIEDMO N#Cc1cc(F)ccc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301410263 1055934135 /nfs/dbraw/zinc/93/41/35/1055934135.db2.gz OPNSKZGXTFFOCG-CQSZACIVSA-N 1 1 329.444 4.083 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000301492370 1055942774 /nfs/dbraw/zinc/94/27/74/1055942774.db2.gz IAEOJLMTFXJPEX-QWHCGFSZSA-N 1 1 343.298 4.457 20 30 EIEDMO C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301510650 1055945268 /nfs/dbraw/zinc/94/52/68/1055945268.db2.gz BHNKUKHPGIYWCU-ZBFHGGJFSA-N 1 1 340.858 4.072 20 30 EIEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301876114 1055994682 /nfs/dbraw/zinc/99/46/82/1055994682.db2.gz YKADMWMSQLMFPW-ROUUACIJSA-N 1 1 329.806 4.208 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301876114 1055994690 /nfs/dbraw/zinc/99/46/90/1055994690.db2.gz YKADMWMSQLMFPW-ROUUACIJSA-N 1 1 329.806 4.208 20 30 EIEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000302211617 1056031521 /nfs/dbraw/zinc/03/15/21/1056031521.db2.gz ZNBWXYGZYAEAHX-SCLBCKFNSA-N 1 1 349.400 4.030 20 30 EIEDMO N#Cc1ccc(C(F)(F)F)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000302271322 1056038486 /nfs/dbraw/zinc/03/84/86/1056038486.db2.gz HICJOZGVGQHLQP-YOEHRIQHSA-N 1 1 349.400 4.030 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000554177875 1056040125 /nfs/dbraw/zinc/04/01/25/1056040125.db2.gz SNKZHNUAOPCFFM-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO Cc1ccc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc1C#N ZINC000302657979 1056060993 /nfs/dbraw/zinc/06/09/93/1056060993.db2.gz OKCFZWJUVANHGR-KRWDZBQOSA-N 1 1 334.467 4.248 20 30 EIEDMO Cc1ccc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)nc1C#N ZINC000302689704 1056063685 /nfs/dbraw/zinc/06/36/85/1056063685.db2.gz ZDXAINXEDFIGST-UHFFFAOYSA-N 1 1 346.434 4.099 20 30 EIEDMO N#Cc1cccc(C#N)c1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000302861577 1056081925 /nfs/dbraw/zinc/08/19/25/1056081925.db2.gz VKRFKROYBYFQRD-UHFFFAOYSA-N 1 1 327.391 4.250 20 30 EIEDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477571 1056456343 /nfs/dbraw/zinc/45/63/43/1056456343.db2.gz HXOZFKGBMANKEP-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477571 1056456368 /nfs/dbraw/zinc/45/63/68/1056456368.db2.gz HXOZFKGBMANKEP-CQSZACIVSA-N 1 1 339.395 4.058 20 30 EIEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(C#N)CCC3)s2)cc1 ZINC000450729416 1056731699 /nfs/dbraw/zinc/73/16/99/1056731699.db2.gz PLQJUKFKIWQFBJ-CYBMUJFWSA-N 1 1 341.480 4.472 20 30 EIEDMO COc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1C#N ZINC000742382578 1058583120 /nfs/dbraw/zinc/58/31/20/1058583120.db2.gz CZPQXVPWJAGBAQ-CQSZACIVSA-N 1 1 349.217 4.097 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC(C)C)C2CCCC2)c1=S ZINC000746056306 1059996191 /nfs/dbraw/zinc/99/61/91/1059996191.db2.gz YXWOGTMSHPUEHU-UHFFFAOYSA-N 1 1 334.533 4.336 20 30 EIEDMO CC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433053 1060048584 /nfs/dbraw/zinc/04/85/84/1060048584.db2.gz AIYFOHQQFTZDSM-QZTJIDSGSA-N 1 1 343.515 4.272 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(C)c(F)c1 ZINC001168824864 1060427146 /nfs/dbraw/zinc/42/71/46/1060427146.db2.gz CWRZUOBLJWMIPJ-IBGZPJMESA-N 1 1 340.398 4.033 20 30 EIEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC001169407051 1060801601 /nfs/dbraw/zinc/80/16/01/1060801601.db2.gz CQMUFFREDKXVAV-UHFFFAOYSA-N 1 1 340.854 4.418 20 30 EIEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC001169407051 1060801605 /nfs/dbraw/zinc/80/16/05/1060801605.db2.gz CQMUFFREDKXVAV-UHFFFAOYSA-N 1 1 340.854 4.418 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169862503 1061013725 /nfs/dbraw/zinc/01/37/25/1061013725.db2.gz GMXGMDUHZFRRNJ-FQEVSTJZSA-N 1 1 342.483 4.076 20 30 EIEDMO CC1CC[NH+](Cc2ccccc2CNCc2cccc(C#N)c2)CC1 ZINC000067668261 521025349 /nfs/dbraw/zinc/02/53/49/521025349.db2.gz GSXAWFYTOHOKCZ-UHFFFAOYSA-N 1 1 333.479 4.080 20 30 EIEDMO Cc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)C(C)C)s1 ZINC000065162078 1032257059 /nfs/dbraw/zinc/25/70/59/1032257059.db2.gz JJUXLQGPAGMCQL-UHFFFAOYSA-N 1 1 347.509 4.229 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000532744740 1032282087 /nfs/dbraw/zinc/28/20/87/1032282087.db2.gz WNWVCRVMIWDNIL-FQEVSTJZSA-N 1 1 333.435 4.032 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1C#N ZINC000532745851 1032285072 /nfs/dbraw/zinc/28/50/72/1032285072.db2.gz KLRFSWXXYDIPLT-UHFFFAOYSA-N 1 1 328.362 4.010 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1C#N ZINC000532745851 1032285082 /nfs/dbraw/zinc/28/50/82/1032285082.db2.gz KLRFSWXXYDIPLT-UHFFFAOYSA-N 1 1 328.362 4.010 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340209 1032285087 /nfs/dbraw/zinc/28/50/87/1032285087.db2.gz QUAIGMWDELQRTE-OAHLLOKOSA-N 1 1 339.414 4.109 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245734236 1032447464 /nfs/dbraw/zinc/44/74/64/1032447464.db2.gz KHQJAXHTJKSEDN-MOPGFXCFSA-N 1 1 330.497 4.229 20 30 EIEDMO COCc1ccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641084 1032501655 /nfs/dbraw/zinc/50/16/55/1032501655.db2.gz BJPRYNFSXBXCIW-HKUYNNGSSA-N 1 1 349.478 4.027 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000533146972 1032516002 /nfs/dbraw/zinc/51/60/02/1032516002.db2.gz HRUUNDBAAGVJDQ-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000533299992 1032631819 /nfs/dbraw/zinc/63/18/19/1032631819.db2.gz VQDWLDANIVLESS-KRWDZBQOSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001266291362 1019456714 /nfs/dbraw/zinc/45/67/14/1019456714.db2.gz CWIIPHWUSYYYGW-PKOBYXMFSA-N 1 1 328.500 4.006 20 30 EIEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001203385873 1019533121 /nfs/dbraw/zinc/53/31/21/1019533121.db2.gz XKTJQIBTIYZWDK-GOSISDBHSA-N 1 1 326.827 4.255 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)CCCC4)CCO2)c1 ZINC000430231708 1019537931 /nfs/dbraw/zinc/53/79/31/1019537931.db2.gz ZDEHFGWMMJJCTL-JOCHJYFZSA-N 1 1 332.447 4.011 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CCO2)c1 ZINC000430231708 1019537944 /nfs/dbraw/zinc/53/79/44/1019537944.db2.gz ZDEHFGWMMJJCTL-JOCHJYFZSA-N 1 1 332.447 4.011 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccn1CCC(C)C ZINC000558409839 1019722938 /nfs/dbraw/zinc/72/29/38/1019722938.db2.gz XHPORUBGYFHHBH-UHFFFAOYSA-N 1 1 330.472 4.198 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccn1CCC(C)C ZINC000558409839 1019722958 /nfs/dbraw/zinc/72/29/58/1019722958.db2.gz XHPORUBGYFHHBH-UHFFFAOYSA-N 1 1 330.472 4.198 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274816884 1019757033 /nfs/dbraw/zinc/75/70/33/1019757033.db2.gz ZJHHKFHHHPXGQA-HBFSDRIKSA-N 1 1 349.478 4.300 20 30 EIEDMO N#CC(CC[N@@H+]1CCO[C@H]2CCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000430284165 1019985607 /nfs/dbraw/zinc/98/56/07/1019985607.db2.gz MMVWTSNKWFSTRT-YADHBBJMSA-N 1 1 346.474 4.140 20 30 EIEDMO N#CC(CC[N@H+]1CCO[C@H]2CCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000430284165 1019985618 /nfs/dbraw/zinc/98/56/18/1019985618.db2.gz MMVWTSNKWFSTRT-YADHBBJMSA-N 1 1 346.474 4.140 20 30 EIEDMO CC[N@@H+](CCN1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC001167129662 1020301889 /nfs/dbraw/zinc/30/18/89/1020301889.db2.gz AUTHFQFHHBRPTF-GOSISDBHSA-N 1 1 333.479 4.394 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(C)c(C(=O)OC)c1)Cc1ccccc1F ZINC001167139155 1020334765 /nfs/dbraw/zinc/33/47/65/1020334765.db2.gz WVFPPTOJLAMTQD-UHFFFAOYSA-N 1 1 327.399 4.109 20 30 EIEDMO C=CC[N@H+](Cc1ccc(C)c(C(=O)OC)c1)Cc1ccccc1F ZINC001167139155 1020334772 /nfs/dbraw/zinc/33/47/72/1020334772.db2.gz WVFPPTOJLAMTQD-UHFFFAOYSA-N 1 1 327.399 4.109 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001209443095 1020348705 /nfs/dbraw/zinc/34/87/05/1020348705.db2.gz LNWJYNURJFXNLQ-UHFFFAOYSA-N 1 1 330.398 4.029 20 30 EIEDMO C=CCCCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001209443095 1020348718 /nfs/dbraw/zinc/34/87/18/1020348718.db2.gz LNWJYNURJFXNLQ-UHFFFAOYSA-N 1 1 330.398 4.029 20 30 EIEDMO C=CCCCCCCC[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001209442154 1020352605 /nfs/dbraw/zinc/35/26/05/1020352605.db2.gz UUQJYCDXIJYFHA-UHFFFAOYSA-N 1 1 342.531 4.004 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000432830978 1032897962 /nfs/dbraw/zinc/89/79/62/1032897962.db2.gz IAMVARPREWRQQL-UHFFFAOYSA-N 1 1 335.451 4.351 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1c(C)cc(C#N)cc1C ZINC001167227322 1020602645 /nfs/dbraw/zinc/60/26/45/1020602645.db2.gz LCRPBVCHYWYHCM-UHFFFAOYSA-N 1 1 336.479 4.441 20 30 EIEDMO CC(C)C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001167240251 1020649200 /nfs/dbraw/zinc/64/92/00/1020649200.db2.gz BELCQEDYVZITTB-UHFFFAOYSA-N 1 1 347.462 4.357 20 30 EIEDMO COc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000255084454 1020909891 /nfs/dbraw/zinc/90/98/91/1020909891.db2.gz APQBSKHEZYOAEB-WMZJFQQLSA-N 1 1 348.402 4.094 20 30 EIEDMO N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)cc1Cl ZINC001167314731 1021060779 /nfs/dbraw/zinc/06/07/79/1021060779.db2.gz PECUFQVJGBYSOA-UHFFFAOYSA-N 1 1 345.874 4.195 20 30 EIEDMO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000376045296 1021322493 /nfs/dbraw/zinc/32/24/93/1021322493.db2.gz NLAHCVHORINREG-RTBURBONSA-N 1 1 340.398 4.293 20 30 EIEDMO COCc1cccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000177616491 1021468613 /nfs/dbraw/zinc/46/86/13/1021468613.db2.gz UVOHNBKGBOFNTH-IZZDOVSWSA-N 1 1 332.403 4.223 20 30 EIEDMO N#Cc1csc(CNCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000177699879 1021550839 /nfs/dbraw/zinc/55/08/39/1021550839.db2.gz OKCIYIQOQGURQG-UHFFFAOYSA-N 1 1 339.508 4.286 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000580253769 1021803834 /nfs/dbraw/zinc/80/38/34/1021803834.db2.gz MQKPKAMZLNTEFH-KRWDZBQOSA-N 1 1 330.353 4.394 20 30 EIEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379670622 1021868811 /nfs/dbraw/zinc/86/88/11/1021868811.db2.gz JFBAKANMQLRWIK-IEBWSBKVSA-N 1 1 334.467 4.035 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)c(F)c1 ZINC000083455633 1021891603 /nfs/dbraw/zinc/89/16/03/1021891603.db2.gz FQLPWWMPRCZMKX-UHFFFAOYSA-N 1 1 329.425 4.172 20 30 EIEDMO N#Cc1csc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)n1 ZINC000582032075 1021899206 /nfs/dbraw/zinc/89/92/06/1021899206.db2.gz PLHSNLNFWJFDDB-UHFFFAOYSA-N 1 1 327.453 4.016 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167391535 1021954951 /nfs/dbraw/zinc/95/49/51/1021954951.db2.gz KBYRMVIJZYWNHX-FQEVSTJZSA-N 1 1 344.474 4.389 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1nc(CC)c(C)s1)CC1CCCCC1 ZINC001167392321 1021972059 /nfs/dbraw/zinc/97/20/59/1021972059.db2.gz SLDVJICOFSGKLV-UHFFFAOYSA-N 1 1 335.517 4.021 20 30 EIEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C(C)(C)C)ccc2C#N)c1 ZINC000613415956 1021986189 /nfs/dbraw/zinc/98/61/89/1021986189.db2.gz QEUKDTBCMPCZJT-UHFFFAOYSA-N 1 1 336.483 4.315 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000512532982 1033026896 /nfs/dbraw/zinc/02/68/96/1033026896.db2.gz YARCLHOAYKSJIC-UHFFFAOYSA-N 1 1 342.443 4.259 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000512532982 1033026914 /nfs/dbraw/zinc/02/69/14/1033026914.db2.gz YARCLHOAYKSJIC-UHFFFAOYSA-N 1 1 342.443 4.259 20 30 EIEDMO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549026265 1022088034 /nfs/dbraw/zinc/08/80/34/1022088034.db2.gz CFDBPGKHLQLPCI-WQHGSSGSSA-N 1 1 346.902 4.336 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000180163362 1022092645 /nfs/dbraw/zinc/09/26/45/1022092645.db2.gz BJGBDUVHTLHEBM-CYBMUJFWSA-N 1 1 343.521 4.335 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000174734250 1022148678 /nfs/dbraw/zinc/14/86/78/1022148678.db2.gz IVQOCGDGCUIAGT-UHFFFAOYSA-N 1 1 335.451 4.108 20 30 EIEDMO CC(C)c1ccc(C[NH+]2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000610447504 1022231734 /nfs/dbraw/zinc/23/17/34/1022231734.db2.gz WFXOKQBOMLRDFN-UHFFFAOYSA-N 1 1 327.516 4.258 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000472583955 1022509763 /nfs/dbraw/zinc/50/97/63/1022509763.db2.gz XDBMZMFQGRLLEU-WMZOPIPTSA-N 1 1 345.874 4.194 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000893195185 1022654393 /nfs/dbraw/zinc/65/43/93/1022654393.db2.gz VEYHHARIHLJJJL-AWEZNQCLSA-N 1 1 339.386 4.383 20 30 EIEDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962506 1022718553 /nfs/dbraw/zinc/71/85/53/1022718553.db2.gz BTYILOLPIVWLBN-WIYYLYMNSA-N 1 1 333.479 4.121 20 30 EIEDMO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962506 1022718584 /nfs/dbraw/zinc/71/85/84/1022718584.db2.gz BTYILOLPIVWLBN-WIYYLYMNSA-N 1 1 333.479 4.121 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000340826343 1022731414 /nfs/dbraw/zinc/73/14/14/1022731414.db2.gz XUMZTRDWSGWQDO-OAHLLOKOSA-N 1 1 329.444 4.226 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000340826343 1022731429 /nfs/dbraw/zinc/73/14/29/1022731429.db2.gz XUMZTRDWSGWQDO-OAHLLOKOSA-N 1 1 329.444 4.226 20 30 EIEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356309078 1022747567 /nfs/dbraw/zinc/74/75/67/1022747567.db2.gz STRLGBPHTRBZQG-UHFFFAOYSA-N 1 1 333.357 4.383 20 30 EIEDMO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065495 1022848516 /nfs/dbraw/zinc/84/85/16/1022848516.db2.gz XZENSHBJDREWAS-GHTZIAJQSA-N 1 1 333.479 4.121 20 30 EIEDMO COc1ccc([C@@H](CCC#N)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000581230533 1022890826 /nfs/dbraw/zinc/89/08/26/1022890826.db2.gz BRRHRXOYFWERQV-FXAWDEMLSA-N 1 1 343.515 4.140 20 30 EIEDMO COc1ccc([C@@H](CCC#N)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC000581230533 1022890829 /nfs/dbraw/zinc/89/08/29/1022890829.db2.gz BRRHRXOYFWERQV-FXAWDEMLSA-N 1 1 343.515 4.140 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(F)c1 ZINC000181229947 1022897639 /nfs/dbraw/zinc/89/76/39/1022897639.db2.gz YSFXWMWEVPDFAW-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO Cc1ccc(C(=O)/C=C/c2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000378641168 1022902114 /nfs/dbraw/zinc/90/21/14/1022902114.db2.gz KPWUJOLOAIRUIJ-CMDGGOBGSA-N 1 1 326.465 4.114 20 30 EIEDMO Cc1ccc(C(=O)/C=C/c2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000378641168 1022902141 /nfs/dbraw/zinc/90/21/41/1022902141.db2.gz KPWUJOLOAIRUIJ-CMDGGOBGSA-N 1 1 326.465 4.114 20 30 EIEDMO C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000376544955 1022954877 /nfs/dbraw/zinc/95/48/77/1022954877.db2.gz GGEYCPZSOOJZRT-WMLDXEAASA-N 1 1 335.373 4.112 20 30 EIEDMO C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000376544955 1022954903 /nfs/dbraw/zinc/95/49/03/1022954903.db2.gz GGEYCPZSOOJZRT-WMLDXEAASA-N 1 1 335.373 4.112 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340959609 1023013467 /nfs/dbraw/zinc/01/34/67/1023013467.db2.gz RAGNMQSVODGSQV-SFHVURJKSA-N 1 1 348.425 4.020 20 30 EIEDMO COCC[N@@H+](CCc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000511594179 1023094360 /nfs/dbraw/zinc/09/43/60/1023094360.db2.gz BWJXUGKJJLVYCK-UHFFFAOYSA-N 1 1 344.458 4.403 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364065997 1023235032 /nfs/dbraw/zinc/23/50/32/1023235032.db2.gz LRWZNPVCGPSJOO-UYAOXDASSA-N 1 1 328.500 4.102 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)cc1 ZINC001203413159 1023274916 /nfs/dbraw/zinc/27/49/16/1023274916.db2.gz RFPQBWKXPWJCLU-INIZCTEOSA-N 1 1 344.817 4.394 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)cc1 ZINC001203413159 1023274926 /nfs/dbraw/zinc/27/49/26/1023274926.db2.gz RFPQBWKXPWJCLU-INIZCTEOSA-N 1 1 344.817 4.394 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376957034 1023341459 /nfs/dbraw/zinc/34/14/59/1023341459.db2.gz UVTIQAWOVSZEIF-QILLFSRXSA-N 1 1 334.891 4.051 20 30 EIEDMO C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752461 1023484381 /nfs/dbraw/zinc/48/43/81/1023484381.db2.gz YATVRIDYTHBPSG-JTSKRJEESA-N 1 1 333.479 4.119 20 30 EIEDMO C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752461 1023484392 /nfs/dbraw/zinc/48/43/92/1023484392.db2.gz YATVRIDYTHBPSG-JTSKRJEESA-N 1 1 333.479 4.119 20 30 EIEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000625702479 1023532533 /nfs/dbraw/zinc/53/25/33/1023532533.db2.gz YQHUHJRWUXWXGA-NSHDSACASA-N 1 1 338.238 4.441 20 30 EIEDMO COc1cccc(C2(F)CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000500136852 1023532988 /nfs/dbraw/zinc/53/29/88/1023532988.db2.gz HDNXGMDVDRPREI-UHFFFAOYSA-N 1 1 342.389 4.167 20 30 EIEDMO COc1cccc(C2(F)CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000500156260 1023548069 /nfs/dbraw/zinc/54/80/69/1023548069.db2.gz QOKMCMLDIJZFKW-UHFFFAOYSA-N 1 1 342.389 4.167 20 30 EIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000558179401 1023694050 /nfs/dbraw/zinc/69/40/50/1023694050.db2.gz JWZFSALPWUICOK-RDJZCZTQSA-N 1 1 327.472 4.033 20 30 EIEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000511657657 1023705325 /nfs/dbraw/zinc/70/53/25/1023705325.db2.gz RSHDVWPFHVMKCZ-UHFFFAOYSA-N 1 1 326.465 4.280 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000051228302 1023733602 /nfs/dbraw/zinc/73/36/02/1023733602.db2.gz VHHRTVRPZFVAGL-UHFFFAOYSA-N 1 1 349.478 4.072 20 30 EIEDMO CC[N@@H+](CCC1CCN(c2c(C#N)cccc2C#N)CC1)CC(C)C ZINC000436409627 1023817977 /nfs/dbraw/zinc/81/79/77/1023817977.db2.gz AHSOCRJGKFFVSH-UHFFFAOYSA-N 1 1 338.499 4.014 20 30 EIEDMO CCN(Cc1cc(C#N)cs1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000511668112 1023828627 /nfs/dbraw/zinc/82/86/27/1023828627.db2.gz RLZAVZVXMXPTTA-LPHOPBHVSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511668112 1023828631 /nfs/dbraw/zinc/82/86/31/1023828631.db2.gz RLZAVZVXMXPTTA-LPHOPBHVSA-N 1 1 339.508 4.277 20 30 EIEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511668112 1023828634 /nfs/dbraw/zinc/82/86/34/1023828634.db2.gz RLZAVZVXMXPTTA-LPHOPBHVSA-N 1 1 339.508 4.277 20 30 EIEDMO N#Cc1ccc(CNc2cc[nH+]c3c(Br)cccc23)cc1 ZINC000301199974 1023898155 /nfs/dbraw/zinc/89/81/55/1023898155.db2.gz WATYWDLRFKUHEK-UHFFFAOYSA-N 1 1 338.208 4.481 20 30 EIEDMO CCC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000341617476 1023946210 /nfs/dbraw/zinc/94/62/10/1023946210.db2.gz QISZUFCPBKLAMX-KRWDZBQOSA-N 1 1 337.467 4.250 20 30 EIEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000341617477 1023947649 /nfs/dbraw/zinc/94/76/49/1023947649.db2.gz QISZUFCPBKLAMX-QGZVFWFLSA-N 1 1 337.467 4.250 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000510635122 1024124031 /nfs/dbraw/zinc/12/40/31/1024124031.db2.gz XDWHJAMQFJSBQB-UHFFFAOYSA-N 1 1 333.435 4.274 20 30 EIEDMO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)(C)C ZINC000661756950 1024471018 /nfs/dbraw/zinc/47/10/18/1024471018.db2.gz YNMPRBVRQYJRSA-UHFFFAOYSA-N 1 1 343.452 4.443 20 30 EIEDMO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)(C)C ZINC000661756950 1024471053 /nfs/dbraw/zinc/47/10/53/1024471053.db2.gz YNMPRBVRQYJRSA-UHFFFAOYSA-N 1 1 343.452 4.443 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000549803193 1033217856 /nfs/dbraw/zinc/21/78/56/1033217856.db2.gz GZWSNAQBFRRNHU-UHFFFAOYSA-N 1 1 335.451 4.219 20 30 EIEDMO N#CC1(F)CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000510873775 1024694939 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COCc1ccccc1/C=C(\C)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000506816188 1025811580 /nfs/dbraw/zinc/81/15/80/1025811580.db2.gz AZDSMLBEYNAKAN-MHWRWJLKSA-N 1 1 338.426 4.379 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC#Cc1cccc(Cl)c1)CCC2 ZINC000440329737 1025819510 /nfs/dbraw/zinc/81/95/10/1025819510.db2.gz RZZWCNLLCOGNTH-QGZVFWFLSA-N 1 1 330.884 4.466 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)CCC2 ZINC000440329737 1025819512 /nfs/dbraw/zinc/81/95/12/1025819512.db2.gz RZZWCNLLCOGNTH-QGZVFWFLSA-N 1 1 330.884 4.466 20 30 EIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)c1ccccc1 ZINC000585754513 1025824010 /nfs/dbraw/zinc/82/40/10/1025824010.db2.gz PVLJEKFCZMKJBO-UHFFFAOYSA-N 1 1 341.842 4.017 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cscc3C#N)cc2)C1 ZINC000432398355 1025864276 /nfs/dbraw/zinc/86/42/76/1025864276.db2.gz DLWMXEXEAVFZAT-CQSZACIVSA-N 1 1 339.464 4.104 20 30 EIEDMO CCC(CC)[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000344035413 1025892093 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N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)n2)cc1 ZINC000729468637 1026394719 /nfs/dbraw/zinc/39/47/19/1026394719.db2.gz CVEHZHMPKPUHLG-LJQANCHMSA-N 1 1 346.409 4.008 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1)C1CC1 ZINC000344481539 1026416134 /nfs/dbraw/zinc/41/61/34/1026416134.db2.gz JFCQHACAQSRCNV-UHFFFAOYSA-N 1 1 341.499 4.073 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C2CC2)cc1 ZINC000277564159 1026511494 /nfs/dbraw/zinc/51/14/94/1026511494.db2.gz APJVVLNJLPAKNH-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cn2)C2CC2)cc1 ZINC000277564159 1026511501 /nfs/dbraw/zinc/51/15/01/1026511501.db2.gz APJVVLNJLPAKNH-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)c(F)c1 ZINC000657435351 1026660349 /nfs/dbraw/zinc/66/03/49/1026660349.db2.gz CEYSAAIUFJKODT-OAHLLOKOSA-N 1 1 345.315 4.124 20 30 EIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000158448617 1026764229 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Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518254 1026905383 /nfs/dbraw/zinc/90/53/83/1026905383.db2.gz RJXYNWHQDBCHCC-QGZVFWFLSA-N 1 1 349.478 4.449 20 30 EIEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518254 1026905397 /nfs/dbraw/zinc/90/53/97/1026905397.db2.gz RJXYNWHQDBCHCC-QGZVFWFLSA-N 1 1 349.478 4.449 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518599 1026941814 /nfs/dbraw/zinc/94/18/14/1026941814.db2.gz RFBVZZZUTLVHNG-MRXNPFEDSA-N 1 1 349.478 4.142 20 30 EIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518599 1026941820 /nfs/dbraw/zinc/94/18/20/1026941820.db2.gz RFBVZZZUTLVHNG-MRXNPFEDSA-N 1 1 349.478 4.142 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000519749037 1026975668 /nfs/dbraw/zinc/97/56/68/1026975668.db2.gz CWQVTQBTRHTBMV-PZJWPPBQSA-N 1 1 347.462 4.155 20 30 EIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075586169 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EIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000441265229 1027406568 /nfs/dbraw/zinc/40/65/68/1027406568.db2.gz RWQMTDWDTXOTMQ-SCTDSRPQSA-N 1 1 330.903 4.029 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1C#N ZINC000582878035 1027560902 /nfs/dbraw/zinc/56/09/02/1027560902.db2.gz BXQDWVMEYZLARO-FQEVSTJZSA-N 1 1 334.419 4.072 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2ccccc2)c1C#N ZINC000582878035 1027560912 /nfs/dbraw/zinc/56/09/12/1027560912.db2.gz BXQDWVMEYZLARO-FQEVSTJZSA-N 1 1 334.419 4.072 20 30 EIEDMO CC(C)c1[nH+]c(CN[C@@H]2CCCc3cc(C#N)ccc32)c2ccccn21 ZINC000575412373 1027568752 /nfs/dbraw/zinc/56/87/52/1027568752.db2.gz XOGUWKCSNZJVJP-LJQANCHMSA-N 1 1 344.462 4.497 20 30 EIEDMO O=C(NCc1nccs1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329342816 1027741686 /nfs/dbraw/zinc/74/16/86/1027741686.db2.gz BYTXYXZYIRNDDC-AWEZNQCLSA-N 1 1 344.484 4.106 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000523113685 1027751652 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EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3c(C)cc(C#N)cc3C)c2C1 ZINC000906532336 1036325686 /nfs/dbraw/zinc/32/56/86/1036325686.db2.gz HRURCXSAVUWCPY-UHFFFAOYSA-N 1 1 347.462 4.082 20 30 EIEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000164733347 1036334318 /nfs/dbraw/zinc/33/43/18/1036334318.db2.gz FIJCNZYFYXLWOI-KRWDZBQOSA-N 1 1 347.462 4.188 20 30 EIEDMO N#Cc1cccc([C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CCO2)c1 ZINC000761239719 1036352631 /nfs/dbraw/zinc/35/26/31/1036352631.db2.gz INUOYOSVRKNVFS-FQEVSTJZSA-N 1 1 349.821 4.338 20 30 EIEDMO COc1cc(C[N@@H+](C[C@@H](C)CCC#N)C2CC2)ccc1OC(F)F ZINC000602437018 1036447381 /nfs/dbraw/zinc/44/73/81/1036447381.db2.gz QBZXYOLJQDDSEH-ZDUSSCGKSA-N 1 1 338.398 4.201 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480749 1036462500 /nfs/dbraw/zinc/46/25/00/1036462500.db2.gz XWNUIVBWYRVUFO-NEPJUHHUSA-N 1 1 331.407 4.281 20 30 EIEDMO Cc1ccc(C#N)nc1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000589107496 1036668591 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MOOYIQMXUYGCEC-OAQYLSRUSA-N 1 1 349.478 4.014 20 30 EIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000598617643 1036715785 /nfs/dbraw/zinc/71/57/85/1036715785.db2.gz KRHOKKCTPSNIQH-OAQYLSRUSA-N 1 1 334.463 4.012 20 30 EIEDMO C[NH+](C)Cc1ccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)cc1Cl ZINC000907908884 1036760463 /nfs/dbraw/zinc/76/04/63/1036760463.db2.gz ZVDKERCDXFGXTM-XBMPDCEQSA-N 1 1 345.874 4.060 20 30 EIEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502945171 1036831447 /nfs/dbraw/zinc/83/14/47/1036831447.db2.gz WFPMNIIBICFXAI-GOSISDBHSA-N 1 1 349.478 4.382 20 30 EIEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486783708 1036852374 /nfs/dbraw/zinc/85/23/74/1036852374.db2.gz ZZHAEWNZAAAROV-INIZCTEOSA-N 1 1 333.863 4.051 20 30 EIEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000589984377 1036924092 /nfs/dbraw/zinc/92/40/92/1036924092.db2.gz QYBQLLIHLZXNOZ-RXVVDRJESA-N 1 1 338.426 4.297 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000603681096 1036944918 /nfs/dbraw/zinc/94/49/18/1036944918.db2.gz JAJLWICJRPSQHA-UHFFFAOYSA-N 1 1 342.826 4.353 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000590206969 1037011376 /nfs/dbraw/zinc/01/13/76/1037011376.db2.gz KOFFCMBHHVDPHW-UHFFFAOYSA-N 1 1 326.827 4.087 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000590206969 1037011396 /nfs/dbraw/zinc/01/13/96/1037011396.db2.gz KOFFCMBHHVDPHW-UHFFFAOYSA-N 1 1 326.827 4.087 20 30 EIEDMO C=C(Br)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000166049133 1037062457 /nfs/dbraw/zinc/06/24/57/1037062457.db2.gz MZQRGQFNBKGDMY-KRWDZBQOSA-N 1 1 332.241 4.283 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC000603894742 1037080754 /nfs/dbraw/zinc/08/07/54/1037080754.db2.gz AVWCUPCERJVUQT-UHFFFAOYSA-N 1 1 330.431 4.360 20 30 EIEDMO N#CCCOCC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000599674019 1037114806 /nfs/dbraw/zinc/11/48/06/1037114806.db2.gz YLEONIXCTXQTCV-UHFFFAOYSA-N 1 1 339.464 4.162 20 30 EIEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccc2ccccc2c1 ZINC000272509314 1037207406 /nfs/dbraw/zinc/20/74/06/1037207406.db2.gz FUTDAFYYNQKTKL-IAGOWNOFSA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C2CC2)cc1 ZINC000591377759 1037398752 /nfs/dbraw/zinc/39/87/52/1037398752.db2.gz JHIUJQPDZWFJGC-CQSZACIVSA-N 1 1 344.418 4.336 20 30 EIEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C2CC2)cc1 ZINC000591377758 1037401599 /nfs/dbraw/zinc/40/15/99/1037401599.db2.gz JHIUJQPDZWFJGC-AWEZNQCLSA-N 1 1 344.418 4.336 20 30 EIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000604493449 1037407284 /nfs/dbraw/zinc/40/72/84/1037407284.db2.gz ZFWZDMZNNNXRSU-KRWDZBQOSA-N 1 1 341.480 4.422 20 30 EIEDMO CC(C)C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533466 1037427446 /nfs/dbraw/zinc/42/74/46/1037427446.db2.gz HEHRYUHKCRIGSI-UHFFFAOYSA-N 1 1 344.462 4.402 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533466 1037427475 /nfs/dbraw/zinc/42/74/75/1037427475.db2.gz HEHRYUHKCRIGSI-UHFFFAOYSA-N 1 1 344.462 4.402 20 30 EIEDMO CCC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533469 1037430694 /nfs/dbraw/zinc/43/06/94/1037430694.db2.gz IFLKYMKYFLVOLY-UHFFFAOYSA-N 1 1 330.435 4.156 20 30 EIEDMO CCC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000604533469 1037430708 /nfs/dbraw/zinc/43/07/08/1037430708.db2.gz IFLKYMKYFLVOLY-UHFFFAOYSA-N 1 1 330.435 4.156 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000591856339 1037640595 /nfs/dbraw/zinc/64/05/95/1037640595.db2.gz XLUBXZHQQUXIEK-HXUWFJFHSA-N 1 1 338.495 4.269 20 30 EIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488594927 1037684327 /nfs/dbraw/zinc/68/43/27/1037684327.db2.gz RVVDTENUUMXJFV-AWEZNQCLSA-N 1 1 345.512 4.114 20 30 EIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573689013 1037685869 /nfs/dbraw/zinc/68/58/69/1037685869.db2.gz ZKWXNMMUBOJGHR-QGZVFWFLSA-N 1 1 339.395 4.106 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139789 1037740522 /nfs/dbraw/zinc/74/05/22/1037740522.db2.gz XTEDJSZWNPZTEW-FQEVSTJZSA-N 1 1 328.500 4.370 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592165705 1037747578 /nfs/dbraw/zinc/74/75/78/1037747578.db2.gz DVWVJANKHQMGNY-VQTJNVASSA-N 1 1 328.500 4.165 20 30 EIEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000592159389 1037764158 /nfs/dbraw/zinc/76/41/58/1037764158.db2.gz NYUYUNNQSIDAJU-UHFFFAOYSA-N 1 1 348.874 4.155 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000605738765 1037858745 /nfs/dbraw/zinc/85/87/45/1037858745.db2.gz PTYPCGKOBSCPCB-FQEVSTJZSA-N 1 1 342.508 4.160 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CCCSCC#N ZINC000593106103 1037966039 /nfs/dbraw/zinc/96/60/39/1037966039.db2.gz XKKLCQSRBMQFRU-HNNXBMFYSA-N 1 1 338.904 4.305 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000607158823 1037975561 /nfs/dbraw/zinc/97/55/61/1037975561.db2.gz FWXHSBGKAIOZGX-GOSISDBHSA-N 1 1 326.484 4.050 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)CCOCC1 ZINC000593079236 1037976471 /nfs/dbraw/zinc/97/64/71/1037976471.db2.gz BQLFMZBAUFZIEJ-LJQANCHMSA-N 1 1 344.474 4.323 20 30 EIEDMO C=CC[N@H+](CCOc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063300398 1038198724 /nfs/dbraw/zinc/19/87/24/1038198724.db2.gz MJWHFWSZWQGENR-UHFFFAOYSA-N 1 1 336.435 4.024 20 30 EIEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593943975 1038202813 /nfs/dbraw/zinc/20/28/13/1038202813.db2.gz HAOMHLNBMSKHSL-UHFFFAOYSA-N 1 1 337.467 4.464 20 30 EIEDMO C=C(C)C[N@H+](CCCc1cnccc1C)Cc1cnn(C(C)C)c1 ZINC000574486528 1038248431 /nfs/dbraw/zinc/24/84/31/1038248431.db2.gz IMUJBEPDUPXHKC-UHFFFAOYSA-N 1 1 326.488 4.178 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000046529030 1038288557 /nfs/dbraw/zinc/28/85/57/1038288557.db2.gz HXXCUUXWJJGHGL-UHFFFAOYSA-N 1 1 343.430 4.172 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000504263671 1038309516 /nfs/dbraw/zinc/30/95/16/1038309516.db2.gz BQVKEXADTMVELN-GOSISDBHSA-N 1 1 326.484 4.398 20 30 EIEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490070825 1038332202 /nfs/dbraw/zinc/33/22/02/1038332202.db2.gz IRDCJTWQCKEBNZ-GOSISDBHSA-N 1 1 349.478 4.300 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490076749 1038334104 /nfs/dbraw/zinc/33/41/04/1038334104.db2.gz CCXBESNROLXOSG-GOSISDBHSA-N 1 1 349.478 4.414 20 30 EIEDMO Cc1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)nc2ccccc12 ZINC000594502833 1038349898 /nfs/dbraw/zinc/34/98/98/1038349898.db2.gz QNIGZWHIOUIUTB-UHFFFAOYSA-N 1 1 330.435 4.029 20 30 EIEDMO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594520876 1038360568 /nfs/dbraw/zinc/36/05/68/1038360568.db2.gz QRMNGSGCLHEPOF-UHFFFAOYSA-N 1 1 325.481 4.481 20 30 EIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000594733977 1038396004 /nfs/dbraw/zinc/39/60/04/1038396004.db2.gz MLRNEZDVQQGCFC-CHWSQXEVSA-N 1 1 341.282 4.211 20 30 EIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000594733978 1038397910 /nfs/dbraw/zinc/39/79/10/1038397910.db2.gz MLRNEZDVQQGCFC-OLZOCXBDSA-N 1 1 341.282 4.211 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3nc(C(F)(F)F)cs3)cc2)CC1 ZINC000594921605 1038427582 /nfs/dbraw/zinc/42/75/82/1038427582.db2.gz MERSAJVBWKFCGZ-UHFFFAOYSA-N 1 1 337.370 4.007 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000424126079 1038622681 /nfs/dbraw/zinc/62/26/81/1038622681.db2.gz OOQIIACJZHPGEF-XPIZARPCSA-N 1 1 343.430 4.374 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(SC3CCCC3)cc2)nn1 ZINC000424291282 1038769550 /nfs/dbraw/zinc/76/95/50/1038769550.db2.gz DJZGIXFORLYVKJ-OAHLLOKOSA-N 1 1 342.512 4.350 20 30 EIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000537614865 1038889755 /nfs/dbraw/zinc/88/97/55/1038889755.db2.gz FNLBCXCDAAWBBY-LJQANCHMSA-N 1 1 348.450 4.479 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000505035571 1038910329 /nfs/dbraw/zinc/91/03/29/1038910329.db2.gz NTOZBNBMKFWVPH-DLBZAZTESA-N 1 1 329.488 4.047 20 30 EIEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000424823067 1039119614 /nfs/dbraw/zinc/11/96/14/1039119614.db2.gz CLLPTBJYNLPAFI-IBGZPJMESA-N 1 1 328.500 4.007 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCCC)cc1 ZINC000552144217 1039199809 /nfs/dbraw/zinc/19/98/09/1039199809.db2.gz BLTMJNNVUAUJHD-UHFFFAOYSA-N 1 1 329.440 4.139 20 30 EIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000481278825 1039215587 /nfs/dbraw/zinc/21/55/87/1039215587.db2.gz CUVLFLRAYDRKAD-FQEVSTJZSA-N 1 1 342.870 4.054 20 30 EIEDMO Fc1ccccc1CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000121398271 1039353048 /nfs/dbraw/zinc/35/30/48/1039353048.db2.gz AUKZVSAOQAAZNJ-UHFFFAOYSA-N 1 1 329.259 4.185 20 30 EIEDMO Fc1ccccc1CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000121398271 1039353060 /nfs/dbraw/zinc/35/30/60/1039353060.db2.gz AUKZVSAOQAAZNJ-UHFFFAOYSA-N 1 1 329.259 4.185 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000092485822 1039550832 /nfs/dbraw/zinc/55/08/32/1039550832.db2.gz PVEDTNQLFQKBPR-ROUUACIJSA-N 1 1 328.456 4.142 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000456741762 1039573457 /nfs/dbraw/zinc/57/34/57/1039573457.db2.gz YXPQTXBLHIGVRH-UHFFFAOYSA-N 1 1 335.451 4.237 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(F)c(F)c1 ZINC000481593664 1039608580 /nfs/dbraw/zinc/60/85/80/1039608580.db2.gz PVHWHWQBNAMETP-IBGZPJMESA-N 1 1 336.426 4.011 20 30 EIEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(OCCCC#N)c1 ZINC000093764175 1039741599 /nfs/dbraw/zinc/74/15/99/1039741599.db2.gz MYYKAWBRCPMTIR-UHFFFAOYSA-N 1 1 343.496 4.279 20 30 EIEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281287409 1039830954 /nfs/dbraw/zinc/83/09/54/1039830954.db2.gz IZZOLQWVWPUEDT-FQEVSTJZSA-N 1 1 326.484 4.184 20 30 EIEDMO Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc(C#N)n1 ZINC000552937779 1039876663 /nfs/dbraw/zinc/87/66/63/1039876663.db2.gz OQGGUOUXJVMQCE-QGZVFWFLSA-N 1 1 334.467 4.248 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000552979528 1039893529 /nfs/dbraw/zinc/89/35/29/1039893529.db2.gz FKENGXPHVAZBPB-GOSISDBHSA-N 1 1 344.480 4.162 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000552979528 1039893534 /nfs/dbraw/zinc/89/35/34/1039893534.db2.gz FKENGXPHVAZBPB-GOSISDBHSA-N 1 1 344.480 4.162 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986660 1039954187 /nfs/dbraw/zinc/95/41/87/1039954187.db2.gz MKNHBURBTXEHOE-GFCCVEGCSA-N 1 1 332.435 4.458 20 30 EIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159562678 1040080316 /nfs/dbraw/zinc/08/03/16/1040080316.db2.gz XMAHJWGINVTCQF-UHFFFAOYSA-N 1 1 335.382 4.027 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435134773 1040093249 /nfs/dbraw/zinc/09/32/49/1040093249.db2.gz ZFOVBQHSZPTKFV-UHFFFAOYSA-N 1 1 334.423 4.200 20 30 EIEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000535266464 1040111873 /nfs/dbraw/zinc/11/18/73/1040111873.db2.gz VRMZFZHYERLUJH-QGZVFWFLSA-N 1 1 331.341 4.176 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C1CCC(F)(F)CC1 ZINC000514747240 1040196501 /nfs/dbraw/zinc/19/65/01/1040196501.db2.gz MGNDLBHJRLQJQY-UHFFFAOYSA-N 1 1 343.215 4.330 20 30 EIEDMO C=C[C@H](CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000535339804 1040204757 /nfs/dbraw/zinc/20/47/57/1040204757.db2.gz JFUZCLIQJSWLFW-HDAAZOAOSA-N 1 1 340.511 4.210 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000425366169 1040342782 /nfs/dbraw/zinc/34/27/82/1040342782.db2.gz OMCGKSATOHOHDC-KGLIPLIRSA-N 1 1 325.481 4.333 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000425366169 1040342800 /nfs/dbraw/zinc/34/28/00/1040342800.db2.gz OMCGKSATOHOHDC-KGLIPLIRSA-N 1 1 325.481 4.333 20 30 EIEDMO CC(C)n1ncc2cc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)cnc21 ZINC000425367049 1040347124 /nfs/dbraw/zinc/34/71/24/1040347124.db2.gz RTUYFRJUMCHZRQ-OAHLLOKOSA-N 1 1 333.439 4.077 20 30 EIEDMO C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560338 1040411070 /nfs/dbraw/zinc/41/10/70/1040411070.db2.gz RMQXTCDVSJCXCW-RXVVDRJESA-N 1 1 345.490 4.048 20 30 EIEDMO C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560338 1040411074 /nfs/dbraw/zinc/41/10/74/1040411074.db2.gz RMQXTCDVSJCXCW-RXVVDRJESA-N 1 1 345.490 4.048 20 30 EIEDMO C=C(C)CN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428786602 1040476244 /nfs/dbraw/zinc/47/62/44/1040476244.db2.gz OCROFPWVRAMUDC-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428786602 1040476256 /nfs/dbraw/zinc/47/62/56/1040476256.db2.gz OCROFPWVRAMUDC-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428786602 1040476260 /nfs/dbraw/zinc/47/62/60/1040476260.db2.gz OCROFPWVRAMUDC-JOCHJYFZSA-N 1 1 335.495 4.124 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(Br)c1 ZINC000482841416 1040515802 /nfs/dbraw/zinc/51/58/02/1040515802.db2.gz ZURKTOIUZGGEFS-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001270000504 1040533196 /nfs/dbraw/zinc/53/31/96/1040533196.db2.gz DYHKMGXJFDDUAG-ULQDDVLXSA-N 1 1 342.474 4.089 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(Br)cn1 ZINC000482957334 1040603218 /nfs/dbraw/zinc/60/32/18/1040603218.db2.gz IIZIORKEXBYPNC-LBPRGKRZSA-N 1 1 349.659 4.200 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000435757794 1040613511 /nfs/dbraw/zinc/61/35/11/1040613511.db2.gz CFHNOHMNZCQEMF-RLLQIKCJSA-N 1 1 343.515 4.208 20 30 EIEDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515327799 1040651158 /nfs/dbraw/zinc/65/11/58/1040651158.db2.gz AVBSSSJHDWDIHH-KRWDZBQOSA-N 1 1 333.863 4.051 20 30 EIEDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515327800 1040654412 /nfs/dbraw/zinc/65/44/12/1040654412.db2.gz AVBSSSJHDWDIHH-QGZVFWFLSA-N 1 1 333.863 4.051 20 30 EIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1F ZINC000160796469 1040757879 /nfs/dbraw/zinc/75/78/79/1040757879.db2.gz VVPYGONSNRPYGF-HNNXBMFYSA-N 1 1 335.382 4.218 20 30 EIEDMO CCN(C)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000483186603 1040762707 /nfs/dbraw/zinc/76/27/07/1040762707.db2.gz QYMIEILYBUGAMY-UHFFFAOYSA-N 1 1 336.483 4.068 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000483262483 1040798197 /nfs/dbraw/zinc/79/81/97/1040798197.db2.gz AWUBLVPMCHHURB-NHCUHLMSSA-N 1 1 348.494 4.198 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000483262483 1040798216 /nfs/dbraw/zinc/79/82/16/1040798216.db2.gz AWUBLVPMCHHURB-NHCUHLMSSA-N 1 1 348.494 4.198 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000483299063 1040809597 /nfs/dbraw/zinc/80/95/97/1040809597.db2.gz WUGZLHDJCHBTFD-UHFFFAOYSA-N 1 1 330.497 4.168 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000539851463 1040841001 /nfs/dbraw/zinc/84/10/01/1040841001.db2.gz WGXLUWDRFZEFAF-APWZRJJASA-N 1 1 333.497 4.120 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000483429131 1040852986 /nfs/dbraw/zinc/85/29/86/1040852986.db2.gz FKHVTSKKLREDMR-UHFFFAOYSA-N 1 1 342.386 4.272 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000483429131 1040852992 /nfs/dbraw/zinc/85/29/92/1040852992.db2.gz FKHVTSKKLREDMR-UHFFFAOYSA-N 1 1 342.386 4.272 20 30 EIEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc(Br)ccc2F)cc1C#N ZINC000926960156 1040867353 /nfs/dbraw/zinc/86/73/53/1040867353.db2.gz FEXRDSRXLNHHOK-NSHDSACASA-N 1 1 348.219 4.014 20 30 EIEDMO CCOc1cc(C[N@H+](C)CC#Cc2ccccc2)ccc1OC(F)F ZINC000483523082 1040884937 /nfs/dbraw/zinc/88/49/37/1040884937.db2.gz JITBPNWMQVBFKM-UHFFFAOYSA-N 1 1 345.389 4.170 20 30 EIEDMO CCOc1cc(C[N@@H+](C)CC#Cc2ccccc2)ccc1OC(F)F ZINC000483523082 1040884945 /nfs/dbraw/zinc/88/49/45/1040884945.db2.gz JITBPNWMQVBFKM-UHFFFAOYSA-N 1 1 345.389 4.170 20 30 EIEDMO C[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300389 1041067937 /nfs/dbraw/zinc/06/79/37/1041067937.db2.gz LZRSZJUMPFHNLU-YJBOKZPZSA-N 1 1 329.463 4.145 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1F ZINC000538139083 1041072606 /nfs/dbraw/zinc/07/26/06/1041072606.db2.gz JYIRNCZJGNCVRM-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO C(#Cc1ccccc1)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000484086508 1041119129 /nfs/dbraw/zinc/11/91/29/1041119129.db2.gz OTLJDQPHJPFFAY-UHFFFAOYSA-N 1 1 344.502 4.026 20 30 EIEDMO C(#Cc1ccccc1)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000484086508 1041119146 /nfs/dbraw/zinc/11/91/46/1041119146.db2.gz OTLJDQPHJPFFAY-UHFFFAOYSA-N 1 1 344.502 4.026 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741953 1041125015 /nfs/dbraw/zinc/12/50/15/1041125015.db2.gz ZWASHFNUGKRUBK-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741953 1041125022 /nfs/dbraw/zinc/12/50/22/1041125022.db2.gz ZWASHFNUGKRUBK-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO C=CCCC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000538219176 1041181687 /nfs/dbraw/zinc/18/16/87/1041181687.db2.gz CHBJDNVUYBEFJH-FQEVSTJZSA-N 1 1 344.499 4.371 20 30 EIEDMO Cc1ccc(C)c(Oc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cn2)c1 ZINC000554487834 1041181959 /nfs/dbraw/zinc/18/19/59/1041181959.db2.gz ROHCNDQJNFIRQY-KRWDZBQOSA-N 1 1 334.423 4.024 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000538223646 1041185500 /nfs/dbraw/zinc/18/55/00/1041185500.db2.gz AFWQUBHUGSCKIA-UHFFFAOYSA-N 1 1 342.389 4.404 20 30 EIEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425538132 1041200759 /nfs/dbraw/zinc/20/07/59/1041200759.db2.gz ROHCUKVNWHCQNS-CYBMUJFWSA-N 1 1 342.826 4.191 20 30 EIEDMO C=CC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)CC1CCCCC1 ZINC000484613100 1041355344 /nfs/dbraw/zinc/35/53/44/1041355344.db2.gz ACYAXAWQIGTLSZ-UHFFFAOYSA-N 1 1 341.455 4.314 20 30 EIEDMO C=CC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)CC1CCCCC1 ZINC000484613100 1041355354 /nfs/dbraw/zinc/35/53/54/1041355354.db2.gz ACYAXAWQIGTLSZ-UHFFFAOYSA-N 1 1 341.455 4.314 20 30 EIEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000484665004 1041394527 /nfs/dbraw/zinc/39/45/27/1041394527.db2.gz RINMOSPLRDMPOW-QGZVFWFLSA-N 1 1 338.451 4.134 20 30 EIEDMO Fc1cccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1F ZINC000538604263 1041437575 /nfs/dbraw/zinc/43/75/75/1041437575.db2.gz RXVUJCHTCXFZHN-UHFFFAOYSA-N 1 1 325.280 4.125 20 30 EIEDMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000538591203 1041440381 /nfs/dbraw/zinc/44/03/81/1041440381.db2.gz JHKYKBXCVYCYOL-FGTMMUONSA-N 1 1 349.478 4.341 20 30 EIEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)s1 ZINC000538739438 1041510456 /nfs/dbraw/zinc/51/04/56/1041510456.db2.gz HJUIEVUWEQODJS-UHFFFAOYSA-N 1 1 335.270 4.057 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)(C)C ZINC000463371313 1041538241 /nfs/dbraw/zinc/53/82/41/1041538241.db2.gz PEOSBJGKBGFLSQ-OAHLLOKOSA-N 1 1 347.528 4.245 20 30 EIEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000904652404 1041562999 /nfs/dbraw/zinc/56/29/99/1041562999.db2.gz AQLWXRJAHYOHMG-OAHLLOKOSA-N 1 1 340.452 4.140 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000540706501 1041605451 /nfs/dbraw/zinc/60/54/51/1041605451.db2.gz LEPVVVCNMWMPGG-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO CC(C)(CCC#N)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000506025169 1041757958 /nfs/dbraw/zinc/75/79/58/1041757958.db2.gz CMOQDXUDAOJZHF-UHFFFAOYSA-N 1 1 335.495 4.287 20 30 EIEDMO C=CC[N@H+](CC[C@@H]1CCOC1)Cc1cc(Br)ccc1F ZINC000437709321 1041885466 /nfs/dbraw/zinc/88/54/66/1041885466.db2.gz LFLDPBLNGIXQBZ-CYBMUJFWSA-N 1 1 342.252 4.003 20 30 EIEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(Cl)s1 ZINC000541630181 1042046760 /nfs/dbraw/zinc/04/67/60/1042046760.db2.gz FUPJZEYAJGEAIJ-AWEZNQCLSA-N 1 1 348.855 4.301 20 30 EIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CCCCC1 ZINC000302817890 1042157793 /nfs/dbraw/zinc/15/77/93/1042157793.db2.gz ZKKULAYPDZLKNJ-UHFFFAOYSA-N 1 1 341.499 4.205 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(F)cc2F)cc(OC)c1O ZINC000506338353 1042332848 /nfs/dbraw/zinc/33/28/48/1042332848.db2.gz GHDMSWAOUGMOPT-UHFFFAOYSA-N 1 1 333.378 4.040 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(F)cc2F)cc(OC)c1O ZINC000506338353 1042332856 /nfs/dbraw/zinc/33/28/56/1042332856.db2.gz GHDMSWAOUGMOPT-UHFFFAOYSA-N 1 1 333.378 4.040 20 30 EIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247657 1042358418 /nfs/dbraw/zinc/35/84/18/1042358418.db2.gz FDOMYQLXFHOTMP-QRWLVFNGSA-N 1 1 336.435 4.159 20 30 EIEDMO CC(C)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542316977 1042382881 /nfs/dbraw/zinc/38/28/81/1042382881.db2.gz MMQLNTRDOVNVAA-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO CC(C)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542316977 1042382889 /nfs/dbraw/zinc/38/28/89/1042382889.db2.gz MMQLNTRDOVNVAA-UHFFFAOYSA-N 1 1 347.462 4.285 20 30 EIEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000017305590 1042430449 /nfs/dbraw/zinc/43/04/49/1042430449.db2.gz ITNOMLSSFRKKIK-CQSZACIVSA-N 1 1 337.448 4.240 20 30 EIEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000017305590 1042430454 /nfs/dbraw/zinc/43/04/54/1042430454.db2.gz ITNOMLSSFRKKIK-CQSZACIVSA-N 1 1 337.448 4.240 20 30 EIEDMO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271967910 1042591687 /nfs/dbraw/zinc/59/16/87/1042591687.db2.gz WBLDNIFTTMTBQL-INIZCTEOSA-N 1 1 337.442 4.144 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c(Cl)c1 ZINC000439434773 1042623073 /nfs/dbraw/zinc/62/30/73/1042623073.db2.gz CLEBMQFDUCMWIO-KRWDZBQOSA-N 1 1 336.826 4.008 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157717 1042627905 /nfs/dbraw/zinc/62/79/05/1042627905.db2.gz RRTBPTPEIHDCLV-NRFANRHFSA-N 1 1 342.446 4.259 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439428370 1042629430 /nfs/dbraw/zinc/62/94/30/1042629430.db2.gz CKHLERAOJKWWAM-INIZCTEOSA-N 1 1 346.883 4.454 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439428370 1042629434 /nfs/dbraw/zinc/62/94/34/1042629434.db2.gz CKHLERAOJKWWAM-INIZCTEOSA-N 1 1 346.883 4.454 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1Cl)CCC2 ZINC000439445686 1042632316 /nfs/dbraw/zinc/63/23/16/1042632316.db2.gz CWFSRQLTJHJFLF-INIZCTEOSA-N 1 1 331.872 4.486 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1Cl)CCC2 ZINC000439445686 1042632333 /nfs/dbraw/zinc/63/23/33/1042632333.db2.gz CWFSRQLTJHJFLF-INIZCTEOSA-N 1 1 331.872 4.486 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000439456253 1042639986 /nfs/dbraw/zinc/63/99/86/1042639986.db2.gz XVOZKWAMLZGLMV-FQEVSTJZSA-N 1 1 340.854 4.084 20 30 EIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929771533 1042666752 /nfs/dbraw/zinc/66/67/52/1042666752.db2.gz HXGJALNUVOBKDK-ZLOXQWCVSA-N 1 1 346.883 4.142 20 30 EIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929771533 1042666757 /nfs/dbraw/zinc/66/67/57/1042666757.db2.gz HXGJALNUVOBKDK-ZLOXQWCVSA-N 1 1 346.883 4.142 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H](CCO)c1ccccc1 ZINC000426449843 1042714049 /nfs/dbraw/zinc/71/40/49/1042714049.db2.gz JMJFUUXGMDQABP-LJQANCHMSA-N 1 1 347.380 4.112 20 30 EIEDMO Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992889 1042727567 /nfs/dbraw/zinc/72/75/67/1042727567.db2.gz HUGSPQDLUCFTTE-AZUAARDMSA-N 1 1 339.508 4.101 20 30 EIEDMO Cc1cc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)ccc1C#N ZINC000444000653 1042739499 /nfs/dbraw/zinc/73/94/99/1042739499.db2.gz WYGFAHBNHNKHPU-CQSZACIVSA-N 1 1 334.448 4.236 20 30 EIEDMO N#CCCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000518972033 1042773904 /nfs/dbraw/zinc/77/39/04/1042773904.db2.gz IFHBRRQUFNWKPQ-UHFFFAOYSA-N 1 1 341.333 4.129 20 30 EIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911466 1042854541 /nfs/dbraw/zinc/85/45/41/1042854541.db2.gz SAEVOOCILMCXKY-GFCCVEGCSA-N 1 1 344.833 4.242 20 30 EIEDMO CCCc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000152519875 1042891610 /nfs/dbraw/zinc/89/16/10/1042891610.db2.gz OKNCYMCRYJHHOH-RTWAWAEBSA-N 1 1 349.478 4.024 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399094 1043044399 /nfs/dbraw/zinc/04/43/99/1043044399.db2.gz QZBADZFDRQVDQD-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399094 1043044406 /nfs/dbraw/zinc/04/44/06/1043044406.db2.gz QZBADZFDRQVDQD-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766029816 1043051603 /nfs/dbraw/zinc/05/16/03/1043051603.db2.gz QGCHKOQTGHFPHB-UHFFFAOYSA-N 1 1 336.464 4.221 20 30 EIEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000309651607 1043075309 /nfs/dbraw/zinc/07/53/09/1043075309.db2.gz AIETXCYQAPQJLW-MRXNPFEDSA-N 1 1 325.843 4.146 20 30 EIEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000427645190 1043106856 /nfs/dbraw/zinc/10/68/56/1043106856.db2.gz MHFJYHRHDXTBPV-BHDDXSALSA-N 1 1 348.490 4.298 20 30 EIEDMO CC(C)([NH2+]Cc1csc(C#N)c1)c1ccccc1Br ZINC000921936947 1043131921 /nfs/dbraw/zinc/13/19/21/1043131921.db2.gz VFNFJVHVPLBNGZ-UHFFFAOYSA-N 1 1 335.270 4.407 20 30 EIEDMO C=CCCC[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000076736081 1043142776 /nfs/dbraw/zinc/14/27/76/1043142776.db2.gz BAANRJJUHQOHGU-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000441819439 1043253656 /nfs/dbraw/zinc/25/36/56/1043253656.db2.gz GQCWZZCIHKBURH-IBGZPJMESA-N 1 1 347.890 4.099 20 30 EIEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543542611 1043285093 /nfs/dbraw/zinc/28/50/93/1043285093.db2.gz KCHCGJFAIJLCCM-NSHDSACASA-N 1 1 336.233 4.116 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022890 1043303578 /nfs/dbraw/zinc/30/35/78/1043303578.db2.gz LRVIMZVIRAZMOK-LEWJYISDSA-N 1 1 349.478 4.180 20 30 EIEDMO C=CCC[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536022890 1043303582 /nfs/dbraw/zinc/30/35/82/1043303582.db2.gz LRVIMZVIRAZMOK-LEWJYISDSA-N 1 1 349.478 4.180 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000625701123 1043359206 /nfs/dbraw/zinc/35/92/06/1043359206.db2.gz ORAJHGXGZDVCEP-LLVKDONJSA-N 1 1 346.780 4.195 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)c1 ZINC000134311875 1043374059 /nfs/dbraw/zinc/37/40/59/1043374059.db2.gz HGHRRISILMUWJZ-INIZCTEOSA-N 1 1 345.215 4.237 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000438843152 1043391105 /nfs/dbraw/zinc/39/11/05/1043391105.db2.gz UYUUBTOXJVYADL-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000171610485 1043624897 /nfs/dbraw/zinc/62/48/97/1043624897.db2.gz YCLNHQLAFLVIIZ-UHFFFAOYSA-N 1 1 349.459 4.211 20 30 EIEDMO Fc1ccc2c(c1)[C@H]([NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)CC2 ZINC000674459067 1043697312 /nfs/dbraw/zinc/69/73/12/1043697312.db2.gz GLIURRAOVCRWHE-RWMBFGLXSA-N 1 1 341.270 4.486 20 30 EIEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000521323337 1043712504 /nfs/dbraw/zinc/71/25/04/1043712504.db2.gz MYDSWEVQOWUYGV-TZIWHRDSSA-N 1 1 328.500 4.007 20 30 EIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2cccc(Cl)c2)c1O ZINC000732439683 1043925303 /nfs/dbraw/zinc/92/53/03/1043925303.db2.gz NIRPSICSPKXZRJ-UHFFFAOYSA-N 1 1 331.843 4.415 20 30 EIEDMO C=CC[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC1CCCCC1 ZINC000732666812 1043981590 /nfs/dbraw/zinc/98/15/90/1043981590.db2.gz DMLMUKKMEGNKJT-UHFFFAOYSA-N 1 1 340.511 4.491 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521814219 1043992345 /nfs/dbraw/zinc/99/23/45/1043992345.db2.gz OMNMDLUMZYRQEA-AWEZNQCLSA-N 1 1 342.405 4.123 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521814219 1043992363 /nfs/dbraw/zinc/99/23/63/1043992363.db2.gz OMNMDLUMZYRQEA-AWEZNQCLSA-N 1 1 342.405 4.123 20 30 EIEDMO CC(C)C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000521821689 1044010033 /nfs/dbraw/zinc/01/00/33/1044010033.db2.gz QJUMEMIOCSPFBB-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO CC(C)C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000521821689 1044010043 /nfs/dbraw/zinc/01/00/43/1044010043.db2.gz QJUMEMIOCSPFBB-UHFFFAOYSA-N 1 1 346.434 4.266 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](COCC)C1 ZINC000733788860 1044310861 /nfs/dbraw/zinc/31/08/61/1044310861.db2.gz ZGQILBMGQJQCGA-MRXNPFEDSA-N 1 1 345.512 4.020 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760425 1044470438 /nfs/dbraw/zinc/47/04/38/1044470438.db2.gz VHPUPLCZUHOUMT-NHCUHLMSSA-N 1 1 336.410 4.148 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)c1 ZINC000761760425 1044470445 /nfs/dbraw/zinc/47/04/45/1044470445.db2.gz VHPUPLCZUHOUMT-NHCUHLMSSA-N 1 1 336.410 4.148 20 30 EIEDMO C=CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000494902999 1044490823 /nfs/dbraw/zinc/49/08/23/1044490823.db2.gz RXSGOSLMDDTIRT-JOCHJYFZSA-N 1 1 348.490 4.081 20 30 EIEDMO C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000734297683 1044524294 /nfs/dbraw/zinc/52/42/94/1044524294.db2.gz SMJYLSFYCLBTJM-HNNXBMFYSA-N 1 1 333.439 4.015 20 30 EIEDMO C[C@H]1CC(N=Nc2nncc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000734297362 1044524411 /nfs/dbraw/zinc/52/44/11/1044524411.db2.gz JZNATBTYSJQOSX-INIZCTEOSA-N 1 1 345.450 4.082 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCSC2)cc1 ZINC000494936955 1044533987 /nfs/dbraw/zinc/53/39/87/1044533987.db2.gz CZDPXMVSQABZSC-LJQANCHMSA-N 1 1 340.467 4.453 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347441223 1044545239 /nfs/dbraw/zinc/54/52/39/1044545239.db2.gz XRLNTWSZDGRADU-QGZVFWFLSA-N 1 1 335.234 4.078 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347441213 1044547041 /nfs/dbraw/zinc/54/70/41/1044547041.db2.gz XRLNTWSZDGRADU-KRWDZBQOSA-N 1 1 335.234 4.078 20 30 EIEDMO C=CCCC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000922334019 1044567194 /nfs/dbraw/zinc/56/71/94/1044567194.db2.gz CPQIUZAOMGFOGK-AWEZNQCLSA-N 1 1 334.261 4.359 20 30 EIEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000443644947 1044603976 /nfs/dbraw/zinc/60/39/76/1044603976.db2.gz ZOVRZXRHSUDYJB-IAGOWNOFSA-N 1 1 337.467 4.106 20 30 EIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000734840049 1044698480 /nfs/dbraw/zinc/69/84/80/1044698480.db2.gz VCSVJRXBDWNZEK-FQEVSTJZSA-N 1 1 338.476 4.188 20 30 EIEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)c1=S ZINC000761838350 1044763366 /nfs/dbraw/zinc/76/33/66/1044763366.db2.gz LYQIASNSORSAER-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)c1=S ZINC000761838350 1044763379 /nfs/dbraw/zinc/76/33/79/1044763379.db2.gz LYQIASNSORSAER-SFHVURJKSA-N 1 1 342.512 4.320 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000735309612 1044796994 /nfs/dbraw/zinc/79/69/94/1044796994.db2.gz QECYKSZBXNVHFW-UHFFFAOYSA-N 1 1 332.856 4.252 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCc2sccc2C1 ZINC000735309612 1044797009 /nfs/dbraw/zinc/79/70/09/1044797009.db2.gz QECYKSZBXNVHFW-UHFFFAOYSA-N 1 1 332.856 4.252 20 30 EIEDMO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC001141816949 1044806248 /nfs/dbraw/zinc/80/62/48/1044806248.db2.gz QFGOOHGYGBIYDI-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC001141816949 1044806249 /nfs/dbraw/zinc/80/62/49/1044806249.db2.gz QFGOOHGYGBIYDI-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000761986893 1044849444 /nfs/dbraw/zinc/84/94/44/1044849444.db2.gz KVARUBAKPLBELD-LJQANCHMSA-N 1 1 347.418 4.457 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000761986893 1044849446 /nfs/dbraw/zinc/84/94/46/1044849446.db2.gz KVARUBAKPLBELD-LJQANCHMSA-N 1 1 347.418 4.457 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000439434004 1044865665 /nfs/dbraw/zinc/86/56/65/1044865665.db2.gz ASKAPWXOLHRLSA-QGZVFWFLSA-N 1 1 340.810 4.277 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000439434004 1044865666 /nfs/dbraw/zinc/86/56/66/1044865666.db2.gz ASKAPWXOLHRLSA-QGZVFWFLSA-N 1 1 340.810 4.277 20 30 EIEDMO CC[N@@H+](CCC(=O)c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000509261201 1044866775 /nfs/dbraw/zinc/86/67/75/1044866775.db2.gz AVPBDJLZAWJOKW-MRXNPFEDSA-N 1 1 336.435 4.223 20 30 EIEDMO C=CCC[C@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)c1ccccc1 ZINC000673604967 1044870486 /nfs/dbraw/zinc/87/04/86/1044870486.db2.gz WGINPCRMLBBTIV-FQEVSTJZSA-N 1 1 332.451 4.373 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000474356509 1044881132 /nfs/dbraw/zinc/88/11/32/1044881132.db2.gz QNNPBZWMVOXTSI-UHFFFAOYSA-N 1 1 340.448 4.160 20 30 EIEDMO COCCCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428959070 1044899523 /nfs/dbraw/zinc/89/95/23/1044899523.db2.gz WZPUXGBOHHWOKM-FQEVSTJZSA-N 1 1 326.415 4.345 20 30 EIEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000428972758 1044931155 /nfs/dbraw/zinc/93/11/55/1044931155.db2.gz BSZLFNQOQQMDFE-QZTJIDSGSA-N 1 1 348.780 4.110 20 30 EIEDMO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671059 1045051068 /nfs/dbraw/zinc/05/10/68/1045051068.db2.gz YRHSZCDYVXACJH-PZJWPPBQSA-N 1 1 341.499 4.048 20 30 EIEDMO C=CC[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477575 1045254802 /nfs/dbraw/zinc/25/48/02/1045254802.db2.gz VMPRVQGIVMTPBG-NHCUHLMSSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477575 1045254810 /nfs/dbraw/zinc/25/48/10/1045254810.db2.gz VMPRVQGIVMTPBG-NHCUHLMSSA-N 1 1 335.495 4.342 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H](C)C#N ZINC000611261117 1045269425 /nfs/dbraw/zinc/26/94/25/1045269425.db2.gz TXFAMLGVYAXNOT-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H](C)C#N ZINC000611261117 1045269430 /nfs/dbraw/zinc/26/94/30/1045269430.db2.gz TXFAMLGVYAXNOT-INIZCTEOSA-N 1 1 326.415 4.386 20 30 EIEDMO CCCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccc(C)o1 ZINC000611258074 1045269453 /nfs/dbraw/zinc/26/94/53/1045269453.db2.gz DCLYZGSMKPRVIZ-MRXNPFEDSA-N 1 1 336.439 4.471 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157435 1045277699 /nfs/dbraw/zinc/27/76/99/1045277699.db2.gz QZAKXNCTUHGNJP-MRXNPFEDSA-N 1 1 348.462 4.071 20 30 EIEDMO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611386740 1045294463 /nfs/dbraw/zinc/29/44/63/1045294463.db2.gz TVCDIAXVIBVPHV-OAHLLOKOSA-N 1 1 333.460 4.456 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000611390633 1045297750 /nfs/dbraw/zinc/29/77/50/1045297750.db2.gz MIBOPGYRSZIBCF-GOTSBHOMSA-N 1 1 345.490 4.362 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(F)cccc1OC(F)F ZINC000611394547 1045301015 /nfs/dbraw/zinc/30/10/15/1045301015.db2.gz POLFCOHILBKSLV-KRWDZBQOSA-N 1 1 346.352 4.466 20 30 EIEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000495706091 1045305337 /nfs/dbraw/zinc/30/53/37/1045305337.db2.gz KROLSMFTHYZXCU-INIZCTEOSA-N 1 1 337.508 4.086 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327817 1045484386 /nfs/dbraw/zinc/48/43/86/1045484386.db2.gz ZRUGPWTXVRMNTE-MRXNPFEDSA-N 1 1 335.451 4.141 20 30 EIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327817 1045484397 /nfs/dbraw/zinc/48/43/97/1045484397.db2.gz ZRUGPWTXVRMNTE-MRXNPFEDSA-N 1 1 335.451 4.141 20 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/nfs/dbraw/zinc/78/35/58/1045783558.db2.gz IRHMBERRYAOHEV-QGZVFWFLSA-N 1 1 335.234 4.030 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768519682 1045814173 /nfs/dbraw/zinc/81/41/73/1045814173.db2.gz VTDHTODISHHUGF-QWFCFKBJSA-N 1 1 349.478 4.300 20 30 EIEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247074861 1045839741 /nfs/dbraw/zinc/83/97/41/1045839741.db2.gz CQIJQKPSILPITR-UYAOXDASSA-N 1 1 345.531 4.159 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248889916 1045887679 /nfs/dbraw/zinc/88/76/79/1045887679.db2.gz SNYIIODXZRGMMJ-PLMTUMEDSA-N 1 1 344.462 4.335 20 30 EIEDMO C#CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769213665 1045896389 /nfs/dbraw/zinc/89/63/89/1045896389.db2.gz VVUQLIVTTYWIEE-GMAHTHKFSA-N 1 1 349.474 4.298 20 30 EIEDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769234977 1045897419 /nfs/dbraw/zinc/89/74/19/1045897419.db2.gz ZYUIYXIIHRMBOQ-FQEVSTJZSA-N 1 1 333.479 4.334 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307161 1045899879 /nfs/dbraw/zinc/89/98/79/1045899879.db2.gz NCKFBRYXQOQQQA-MRXNPFEDSA-N 1 1 349.434 4.016 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769310545 1045916814 /nfs/dbraw/zinc/91/68/14/1045916814.db2.gz XVINDCIJGJNZMC-AVRDEDQJSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769310545 1045916820 /nfs/dbraw/zinc/91/68/20/1045916820.db2.gz XVINDCIJGJNZMC-AVRDEDQJSA-N 1 1 335.447 4.051 20 30 EIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187537 1045919666 /nfs/dbraw/zinc/91/96/66/1045919666.db2.gz ZIXGUUHTWJXGPO-QFIPXVFZSA-N 1 1 334.463 4.233 20 30 EIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC001170194774 1045933340 /nfs/dbraw/zinc/93/33/40/1045933340.db2.gz OICKQXJRFQEKIV-QFIPXVFZSA-N 1 1 334.463 4.381 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1OC ZINC000191879818 1045949062 /nfs/dbraw/zinc/94/90/62/1045949062.db2.gz AXQFXWZFXBQMTL-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)cc1OC ZINC000191879818 1045949074 /nfs/dbraw/zinc/94/90/74/1045949074.db2.gz AXQFXWZFXBQMTL-SFHVURJKSA-N 1 1 340.398 4.052 20 30 EIEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769423339 1045959391 /nfs/dbraw/zinc/95/93/91/1045959391.db2.gz FVEZHSKGMCLUTN-INIZCTEOSA-N 1 1 337.442 4.295 20 30 EIEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446738 1045974929 /nfs/dbraw/zinc/97/49/29/1045974929.db2.gz TUGHWOFQPJZQBM-RXVVDRJESA-N 1 1 333.479 4.414 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281171 1045988969 /nfs/dbraw/zinc/98/89/69/1045988969.db2.gz WILZZGIZPFUCOC-HZPDHXFCSA-N 1 1 348.453 4.080 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001170389661 1046025903 /nfs/dbraw/zinc/02/59/03/1046025903.db2.gz YBHMIUKOBDGOKO-CKHPTIKVSA-N 1 1 332.451 4.018 20 30 EIEDMO CC(C)[N@@H+](CCCCCO)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397425 1046029601 /nfs/dbraw/zinc/02/96/01/1046029601.db2.gz BOZPCINDJVMCDB-UHFFFAOYSA-N 1 1 328.500 4.264 20 30 EIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001170378686 1046034637 /nfs/dbraw/zinc/03/46/37/1046034637.db2.gz IBMOYQARKDWWPK-UHFFFAOYSA-N 1 1 332.447 4.154 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769867532 1046084150 /nfs/dbraw/zinc/08/41/50/1046084150.db2.gz YDISUMGDKLQYCJ-NSHDSACASA-N 1 1 332.753 4.017 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769867532 1046084169 /nfs/dbraw/zinc/08/41/69/1046084169.db2.gz YDISUMGDKLQYCJ-NSHDSACASA-N 1 1 332.753 4.017 20 30 EIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769935892 1046116042 /nfs/dbraw/zinc/11/60/42/1046116042.db2.gz DGDMLLQZHKGMIZ-KRWDZBQOSA-N 1 1 329.831 4.220 20 30 EIEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000763409094 1046137136 /nfs/dbraw/zinc/13/71/36/1046137136.db2.gz TVSRYJCDWJDVEM-JXFKEZNVSA-N 1 1 338.451 4.073 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000770289758 1046169474 /nfs/dbraw/zinc/16/94/74/1046169474.db2.gz CHLSNTLVPFCWSD-XLIONFOSSA-N 1 1 340.492 4.488 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000770326369 1046181793 /nfs/dbraw/zinc/18/17/93/1046181793.db2.gz OYLCSWGZQFTMGO-KBPBESRZSA-N 1 1 342.389 4.375 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000770326369 1046181785 /nfs/dbraw/zinc/18/17/85/1046181785.db2.gz OYLCSWGZQFTMGO-KBPBESRZSA-N 1 1 342.389 4.375 20 30 EIEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC#N)Cc1ccccc1 ZINC001170433131 1046258694 /nfs/dbraw/zinc/25/86/94/1046258694.db2.gz XBKDAXMZKFHWMO-LJQANCHMSA-N 1 1 336.435 4.152 20 30 EIEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000125422687 1046304455 /nfs/dbraw/zinc/30/44/55/1046304455.db2.gz SVJFKPQYBMMAHD-ZDUSSCGKSA-N 1 1 328.378 4.321 20 30 EIEDMO N#CCCCCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125994042 1046414140 /nfs/dbraw/zinc/41/41/40/1046414140.db2.gz JGDRDPPWURLGBT-UHFFFAOYSA-N 1 1 331.463 4.068 20 30 EIEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2)cc1OCCCC#N ZINC000126465520 1046487804 /nfs/dbraw/zinc/48/78/04/1046487804.db2.gz IIPXYQGVDVCWPG-UHFFFAOYSA-N 1 1 338.451 4.052 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000916987344 1046525350 /nfs/dbraw/zinc/52/53/50/1046525350.db2.gz RSZIGNGMCJZIKO-OAHLLOKOSA-N 1 1 343.826 4.401 20 30 EIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459481741 1046709413 /nfs/dbraw/zinc/70/94/13/1046709413.db2.gz BFVJRVJLCWVSJI-DMDPSCGWSA-N 1 1 341.333 4.018 20 30 EIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459481741 1046709429 /nfs/dbraw/zinc/70/94/29/1046709429.db2.gz BFVJRVJLCWVSJI-DMDPSCGWSA-N 1 1 341.333 4.018 20 30 EIEDMO C[C@@H](c1cccc(F)c1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000536732214 1046730653 /nfs/dbraw/zinc/73/06/53/1046730653.db2.gz YEZJKNGMXLHMHN-IRXDYDNUSA-N 1 1 337.442 4.137 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC001137633079 1046800107 /nfs/dbraw/zinc/80/01/07/1046800107.db2.gz ZLWAGUIDAZPOMM-ZDUSSCGKSA-N 1 1 341.252 4.440 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC001137633079 1046800110 /nfs/dbraw/zinc/80/01/10/1046800110.db2.gz ZLWAGUIDAZPOMM-ZDUSSCGKSA-N 1 1 341.252 4.440 20 30 EIEDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000497490641 1046825423 /nfs/dbraw/zinc/82/54/23/1046825423.db2.gz VFLXTOZIULYSSM-INIZCTEOSA-N 1 1 339.870 4.090 20 30 EIEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc2c(s1)CCC2 ZINC000459634891 1046841675 /nfs/dbraw/zinc/84/16/75/1046841675.db2.gz NQGOQQXDXBWOMZ-ZDUSSCGKSA-N 1 1 325.481 4.284 20 30 EIEDMO C=CCCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000805217865 1046866507 /nfs/dbraw/zinc/86/65/07/1046866507.db2.gz MIEGTGPBRFCEPI-UHFFFAOYSA-N 1 1 348.397 4.071 20 30 EIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCCCC2)nc1C1CC1 ZINC000917478319 1046899556 /nfs/dbraw/zinc/89/95/56/1046899556.db2.gz MZPOCHCZLHRSQV-QGZVFWFLSA-N 1 1 346.544 4.480 20 30 EIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCCCC2)nc1C1CC1 ZINC000917478319 1046899558 /nfs/dbraw/zinc/89/95/58/1046899558.db2.gz MZPOCHCZLHRSQV-QGZVFWFLSA-N 1 1 346.544 4.480 20 30 EIEDMO CN(CCC#N)c1ccc(C=[NH+]Nc2cccc3c2CCCC3)cc1 ZINC000917552346 1046988416 /nfs/dbraw/zinc/98/84/16/1046988416.db2.gz FQRIKMUCQKPUGY-UHFFFAOYSA-N 1 1 332.451 4.361 20 30 EIEDMO CC[C@@H]1CC([N@H+]2CCC[C@H](C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491013 1047037136 /nfs/dbraw/zinc/03/71/36/1047037136.db2.gz HYVLUNLKDIZQMM-BRWVUGGUSA-N 1 1 349.519 4.179 20 30 EIEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491476 1047047334 /nfs/dbraw/zinc/04/73/34/1047047334.db2.gz JUUXZVAVAVPYAI-AKHDSKFASA-N 1 1 348.531 4.288 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491478 1047048005 /nfs/dbraw/zinc/04/80/05/1047048005.db2.gz JUUXZVAVAVPYAI-OKYOBFRVSA-N 1 1 348.531 4.288 20 30 EIEDMO C=CCCCCCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000806004817 1047086819 /nfs/dbraw/zinc/08/68/19/1047086819.db2.gz WFTLPJROFBGXJW-UHFFFAOYSA-N 1 1 345.487 4.079 20 30 EIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520424 1047213633 /nfs/dbraw/zinc/21/36/33/1047213633.db2.gz QWEDNFBJLNQPBC-IRXDYDNUSA-N 1 1 333.907 4.011 20 30 EIEDMO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)ccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000788592466 1047241568 /nfs/dbraw/zinc/24/15/68/1047241568.db2.gz NNARBXQCZLCEMA-SFHVURJKSA-N 1 1 339.370 4.118 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806498923 1047272405 /nfs/dbraw/zinc/27/24/05/1047272405.db2.gz HSMFSNVHVNJORN-HTUJPFKRSA-N 1 1 337.552 4.250 20 30 EIEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000918063858 1047310398 /nfs/dbraw/zinc/31/03/98/1047310398.db2.gz CKHPJCVGLIFAAZ-SFHVURJKSA-N 1 1 343.515 4.167 20 30 EIEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000918064488 1047310933 /nfs/dbraw/zinc/31/09/33/1047310933.db2.gz SDZBJLGOZYNGOA-SFHVURJKSA-N 1 1 343.515 4.025 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360898 1047408374 /nfs/dbraw/zinc/40/83/74/1047408374.db2.gz AXNSKKGRJLRVNP-MRXNPFEDSA-N 1 1 349.434 4.016 20 30 EIEDMO C=CCCCN(CC)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930030515 1047475751 /nfs/dbraw/zinc/47/57/51/1047475751.db2.gz MBQRXUJTSGPOPJ-UHFFFAOYSA-N 1 1 347.528 4.055 20 30 EIEDMO C=CCCCCCCCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000807592126 1047477487 /nfs/dbraw/zinc/47/74/87/1047477487.db2.gz MUYFESOJNHZXLN-UHFFFAOYSA-N 1 1 332.492 4.215 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000154750148 1047500894 /nfs/dbraw/zinc/50/08/94/1047500894.db2.gz GGDLLKGBESJIPO-NRFANRHFSA-N 1 1 348.471 4.356 20 30 EIEDMO Cc1cccnc1[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000897994062 1047521205 /nfs/dbraw/zinc/52/12/05/1047521205.db2.gz DKQUAYNWFBCDCB-INIZCTEOSA-N 1 1 328.847 4.187 20 30 EIEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001136974880 1048007447 /nfs/dbraw/zinc/00/74/47/1048007447.db2.gz QKUHYNQDAGVJNY-HXUWFJFHSA-N 1 1 345.446 4.391 20 30 EIEDMO N#Cc1ccc(OCCC[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000195069607 1048043293 /nfs/dbraw/zinc/04/32/93/1048043293.db2.gz MHXAPFOVHFUEEG-IBGZPJMESA-N 1 1 349.459 4.163 20 30 EIEDMO C[C@@]1(COC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000805889220 1048063921 /nfs/dbraw/zinc/06/39/21/1048063921.db2.gz AKSGVIHQMQIZEZ-FQEVSTJZSA-N 1 1 328.456 4.058 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000499047865 1048098981 /nfs/dbraw/zinc/09/89/81/1048098981.db2.gz KANDGZSPFGZBSU-QGZVFWFLSA-N 1 1 342.508 4.173 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000499047865 1048098996 /nfs/dbraw/zinc/09/89/96/1048098996.db2.gz KANDGZSPFGZBSU-QGZVFWFLSA-N 1 1 342.508 4.173 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053641 1048131312 /nfs/dbraw/zinc/13/13/12/1048131312.db2.gz NRZAWSTVMHRWJF-UHFFFAOYSA-N 1 1 345.446 4.500 20 30 EIEDMO CC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814792184 1048171315 /nfs/dbraw/zinc/17/13/15/1048171315.db2.gz NCLDOLASFFVWCN-UHFFFAOYSA-N 1 1 345.271 4.282 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Br)c1 ZINC000815017696 1048297479 /nfs/dbraw/zinc/29/74/79/1048297479.db2.gz STFNJPHDZHXAFS-UHFFFAOYSA-N 1 1 344.256 4.128 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(Br)c1 ZINC000815021340 1048299542 /nfs/dbraw/zinc/29/95/42/1048299542.db2.gz LKMJJIGJJVPPEK-UHFFFAOYSA-N 1 1 347.256 4.041 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(Br)c1 ZINC000815021340 1048299557 /nfs/dbraw/zinc/29/95/57/1048299557.db2.gz LKMJJIGJJVPPEK-UHFFFAOYSA-N 1 1 347.256 4.041 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1O ZINC000919939507 1048321142 /nfs/dbraw/zinc/32/11/42/1048321142.db2.gz YFBWXKKNJUCPEK-SFHVURJKSA-N 1 1 342.439 4.153 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)C(C)C ZINC000809685343 1048473357 /nfs/dbraw/zinc/47/33/57/1048473357.db2.gz OLZUAEVQIFMADW-MRXNPFEDSA-N 1 1 334.872 4.123 20 30 EIEDMO C[N@H+](Cc1cccc(Oc2ccccc2)c1)Cc1ccc(C#N)cn1 ZINC001144166564 1048478774 /nfs/dbraw/zinc/47/87/74/1048478774.db2.gz KXPZQGOTJUSRDM-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[N@@H+](Cc1cccc(Oc2ccccc2)c1)Cc1ccc(C#N)cn1 ZINC001144166564 1048478784 /nfs/dbraw/zinc/47/87/84/1048478784.db2.gz KXPZQGOTJUSRDM-UHFFFAOYSA-N 1 1 329.403 4.378 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2cc(Cl)ccc2O)C1 ZINC000920173963 1048572308 /nfs/dbraw/zinc/57/23/08/1048572308.db2.gz HYDPHKARPWQBRI-ATMXPARFSA-N 1 1 328.843 4.300 20 30 EIEDMO CCOc1ccc(/C=N\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174424 1048572394 /nfs/dbraw/zinc/57/23/94/1048572394.db2.gz MAZBELMETRWCPA-LMZUZTJHSA-N 1 1 338.451 4.045 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047950 1048608377 /nfs/dbraw/zinc/60/83/77/1048608377.db2.gz QEXCTMYEXZFIHJ-HSZRJFAPSA-N 1 1 346.474 4.457 20 30 EIEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000810114597 1048635339 /nfs/dbraw/zinc/63/53/39/1048635339.db2.gz FFGCYUCZZWFZQC-NBHGPNQESA-N 1 1 347.462 4.011 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170598769 1048652055 /nfs/dbraw/zinc/65/20/55/1048652055.db2.gz JKGLEDMBMMYTIE-MJGOQNOKSA-N 1 1 333.520 4.271 20 30 EIEDMO Cc1cc(C(F)(F)F)ncc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182114 1048664567 /nfs/dbraw/zinc/66/45/67/1048664567.db2.gz IMEPWENWSZNJBJ-UHFFFAOYSA-N 1 1 345.324 4.305 20 30 EIEDMO COc1cc(Cl)cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001144478406 1048690390 /nfs/dbraw/zinc/69/03/90/1048690390.db2.gz HFOUTLMPBNOCKW-UHFFFAOYSA-N 1 1 340.854 4.406 20 30 EIEDMO C[C@@H]1[C@H](OC(=O)CCCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000816470370 1048806764 /nfs/dbraw/zinc/80/67/64/1048806764.db2.gz MQWYUASZNKRYNM-IEBWSBKVSA-N 1 1 328.456 4.057 20 30 EIEDMO C#CCCCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456292 1048807191 /nfs/dbraw/zinc/80/71/91/1048807191.db2.gz FGHIMHLKYKDOPX-UYAOXDASSA-N 1 1 327.468 4.024 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000920945093 1048818962 /nfs/dbraw/zinc/81/89/62/1048818962.db2.gz PWENJJIROCZNFV-QZPXRHMKSA-N 1 1 349.261 4.392 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920945093 1048818965 /nfs/dbraw/zinc/81/89/65/1048818965.db2.gz PWENJJIROCZNFV-QZPXRHMKSA-N 1 1 349.261 4.392 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000920945092 1048819590 /nfs/dbraw/zinc/81/95/90/1048819590.db2.gz PWENJJIROCZNFV-LIQPLZLLSA-N 1 1 349.261 4.392 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920945092 1048819594 /nfs/dbraw/zinc/81/95/94/1048819594.db2.gz PWENJJIROCZNFV-LIQPLZLLSA-N 1 1 349.261 4.392 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001171221289 1048856389 /nfs/dbraw/zinc/85/63/89/1048856389.db2.gz KBMGNSFHKBPBKB-OXQOHEQNSA-N 1 1 337.492 4.141 20 30 EIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC001171221934 1048857943 /nfs/dbraw/zinc/85/79/43/1048857943.db2.gz XJYCTVBBYMKNAR-CQSZACIVSA-N 1 1 343.268 4.384 20 30 EIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)Cc2cccc(C#N)c2)on1 ZINC001171230650 1048869387 /nfs/dbraw/zinc/86/93/87/1048869387.db2.gz XCABNABOVICKJO-GOSISDBHSA-N 1 1 345.446 4.488 20 30 EIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230242 1048870648 /nfs/dbraw/zinc/87/06/48/1048870648.db2.gz CACMRGGSZLPOTF-LAUBAEHRSA-N 1 1 334.463 4.473 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H](C)c2csc(C)n2)cc(OC)c1OC ZINC000772956698 1048922752 /nfs/dbraw/zinc/92/27/52/1048922752.db2.gz XDTLUSNAEGKHPC-LBPRGKRZSA-N 1 1 332.469 4.048 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000817366056 1048957180 /nfs/dbraw/zinc/95/71/80/1048957180.db2.gz TUMAOHHDCAEMMM-AWEZNQCLSA-N 1 1 343.389 4.294 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817413142 1048963187 /nfs/dbraw/zinc/96/31/87/1048963187.db2.gz URNKJOLRMXPEMF-MRXNPFEDSA-N 1 1 339.405 4.201 20 30 EIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000282142967 1049038100 /nfs/dbraw/zinc/03/81/00/1049038100.db2.gz ZQURIQVGRYYZDX-IBGZPJMESA-N 1 1 344.524 4.186 20 30 EIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954553 1049067056 /nfs/dbraw/zinc/06/70/56/1049067056.db2.gz YNGYNOCMEHWTIY-KKSFZXQISA-N 1 1 337.467 4.063 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccc(Cl)cc1 ZINC000811516985 1049103333 /nfs/dbraw/zinc/10/33/33/1049103333.db2.gz DUUQYDVUBWJEKX-GOSISDBHSA-N 1 1 341.838 4.378 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001136222901 1049314739 /nfs/dbraw/zinc/31/47/39/1049314739.db2.gz ZOAFXBSTKODUKW-UWJYYQICSA-N 1 1 328.500 4.137 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819457366 1049321145 /nfs/dbraw/zinc/32/11/45/1049321145.db2.gz ACHLEZHAWWBFSY-JTSKRJEESA-N 1 1 349.478 4.391 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819457366 1049321154 /nfs/dbraw/zinc/32/11/54/1049321154.db2.gz ACHLEZHAWWBFSY-JTSKRJEESA-N 1 1 349.478 4.391 20 30 EIEDMO Cc1ccccc1C[N@@H+]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822878 1049343935 /nfs/dbraw/zinc/34/39/35/1049343935.db2.gz OEOMTAKMLMAJSL-LJQANCHMSA-N 1 1 333.479 4.136 20 30 EIEDMO Cc1ccccc1CN1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822878 1049343948 /nfs/dbraw/zinc/34/39/48/1049343948.db2.gz OEOMTAKMLMAJSL-LJQANCHMSA-N 1 1 333.479 4.136 20 30 EIEDMO Cc1ccccc1CN1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822878 1049343962 /nfs/dbraw/zinc/34/39/62/1049343962.db2.gz OEOMTAKMLMAJSL-LJQANCHMSA-N 1 1 333.479 4.136 20 30 EIEDMO Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822877 1049344417 /nfs/dbraw/zinc/34/44/17/1049344417.db2.gz OEOMTAKMLMAJSL-IBGZPJMESA-N 1 1 333.479 4.136 20 30 EIEDMO Cc1ccccc1CN1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822877 1049344429 /nfs/dbraw/zinc/34/44/29/1049344429.db2.gz OEOMTAKMLMAJSL-IBGZPJMESA-N 1 1 333.479 4.136 20 30 EIEDMO Cc1ccccc1CN1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822877 1049344440 /nfs/dbraw/zinc/34/44/40/1049344440.db2.gz OEOMTAKMLMAJSL-IBGZPJMESA-N 1 1 333.479 4.136 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)C(C)C ZINC000609848427 1049355936 /nfs/dbraw/zinc/35/59/36/1049355936.db2.gz IXNAJBOYRHIFLJ-AWEZNQCLSA-N 1 1 347.528 4.194 20 30 EIEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000064631649 1049379256 /nfs/dbraw/zinc/37/92/56/1049379256.db2.gz VAGBWSZLJTYUGV-UHFFFAOYSA-N 1 1 338.426 4.358 20 30 EIEDMO C[C@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000609891572 1049383877 /nfs/dbraw/zinc/38/38/77/1049383877.db2.gz IIHKCUNIOVHZRQ-GFCCVEGCSA-N 1 1 331.872 4.132 20 30 EIEDMO C[C@@H]1CCC[N@@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000195667345 1049486775 /nfs/dbraw/zinc/48/67/75/1049486775.db2.gz NLUPEKUKSIBZPI-GFCCVEGCSA-N 1 1 346.837 4.043 20 30 EIEDMO C=C(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000348206496 1049494366 /nfs/dbraw/zinc/49/43/66/1049494366.db2.gz PSNLFDMBXKHUJI-UHFFFAOYSA-N 1 1 339.464 4.027 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000805748331 1049511768 /nfs/dbraw/zinc/51/17/68/1049511768.db2.gz MIPFGZHEYKQCKP-SFHVURJKSA-N 1 1 339.236 4.175 20 30 EIEDMO C=CCOc1ccccc1[C@H](C)Nc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001171372960 1049538042 /nfs/dbraw/zinc/53/80/42/1049538042.db2.gz NARDDIPEHWFRHQ-ZDUSSCGKSA-N 1 1 337.423 4.049 20 30 EIEDMO CCc1noc(C)c1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000773036252 1049542975 /nfs/dbraw/zinc/54/29/75/1049542975.db2.gz DMGBWOAYLTUFSN-GFCCVEGCSA-N 1 1 336.357 4.267 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000610132798 1049556089 /nfs/dbraw/zinc/55/60/89/1049556089.db2.gz HVMCBPWYEAYONN-KRWDZBQOSA-N 1 1 338.451 4.256 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCCC)c(OCC)c1)c1ccc(F)cc1 ZINC000812792444 1049572225 /nfs/dbraw/zinc/57/22/25/1049572225.db2.gz ADFCSBHZJVSPID-IBGZPJMESA-N 1 1 341.426 4.477 20 30 EIEDMO C#CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115695 1049586897 /nfs/dbraw/zinc/58/68/97/1049586897.db2.gz OENTVBMBRDTOCX-VJBMBRPKSA-N 1 1 332.491 4.394 20 30 EIEDMO C#CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115695 1049586913 /nfs/dbraw/zinc/58/69/13/1049586913.db2.gz OENTVBMBRDTOCX-VJBMBRPKSA-N 1 1 332.491 4.394 20 30 EIEDMO C#C[C@H]([NH2+]Cc1sc2nc(C)nc(C)c2c1C)c1ccc(F)cc1 ZINC000812792798 1049592543 /nfs/dbraw/zinc/59/25/43/1049592543.db2.gz IAQTXCYKMDGRGO-INIZCTEOSA-N 1 1 339.439 4.220 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 ZINC000812794374 1049593436 /nfs/dbraw/zinc/59/34/36/1049593436.db2.gz ZSDZCXQJTUMUHX-LJQANCHMSA-N 1 1 339.410 4.245 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853231 1049614790 /nfs/dbraw/zinc/61/47/90/1049614790.db2.gz DANIBDFGYIEYEC-OXQOHEQNSA-N 1 1 327.855 4.136 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3csc(Cl)c3)C2)cc1 ZINC001142780162 1049708623 /nfs/dbraw/zinc/70/86/23/1049708623.db2.gz IWYVEIBHAMLXSV-INIZCTEOSA-N 1 1 332.856 4.317 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3csc(Cl)c3)C2)cc1 ZINC001142780162 1049708636 /nfs/dbraw/zinc/70/86/36/1049708636.db2.gz IWYVEIBHAMLXSV-INIZCTEOSA-N 1 1 332.856 4.317 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544992 1049736191 /nfs/dbraw/zinc/73/61/91/1049736191.db2.gz NEQCGGOERAERPX-LJQANCHMSA-N 1 1 346.490 4.290 20 30 EIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081575085 1049749345 /nfs/dbraw/zinc/74/93/45/1049749345.db2.gz QUNHMBHCVDKEHB-LQWHRVPQSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081575085 1049749351 /nfs/dbraw/zinc/74/93/51/1049749351.db2.gz QUNHMBHCVDKEHB-LQWHRVPQSA-N 1 1 347.462 4.015 20 30 EIEDMO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822901509 1049806969 /nfs/dbraw/zinc/80/69/69/1049806969.db2.gz YDJYIDNIUBSBLP-KRWDZBQOSA-N 1 1 340.471 4.268 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC001171847073 1049812679 /nfs/dbraw/zinc/81/26/79/1049812679.db2.gz IJBMDYPSFMHHHV-CYBMUJFWSA-N 1 1 348.288 4.124 20 30 EIEDMO CC(C)(C)OC(=O)C1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001171921148 1049817342 /nfs/dbraw/zinc/81/73/42/1049817342.db2.gz BEWVRMMCEVVDQI-UHFFFAOYSA-N 1 1 342.483 4.303 20 30 EIEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001171899735 1049817710 /nfs/dbraw/zinc/81/77/10/1049817710.db2.gz BOZNTUXCXPDYKD-FQEVSTJZSA-N 1 1 347.462 4.341 20 30 EIEDMO CC(C)[C@@H](c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823195283 1049829575 /nfs/dbraw/zinc/82/95/75/1049829575.db2.gz UAUBSGFIHCXCSY-LSDHHAIUSA-N 1 1 332.835 4.205 20 30 EIEDMO CC1(C)C[C@H]([NH+]2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001171980083 1049838560 /nfs/dbraw/zinc/83/85/60/1049838560.db2.gz DAUWKHWDTQAFDE-HXUWFJFHSA-N 1 1 325.500 4.055 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC001172304878 1049873973 /nfs/dbraw/zinc/87/39/73/1049873973.db2.gz AVSYTWBKBJUODQ-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001172310691 1049874756 /nfs/dbraw/zinc/87/47/56/1049874756.db2.gz HZCLOQLUEUIZRH-QRWLVFNGSA-N 1 1 340.467 4.495 20 30 EIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001172309389 1049874921 /nfs/dbraw/zinc/87/49/21/1049874921.db2.gz SNDTTXJDVAUFJZ-ZINXYGQCSA-N 1 1 338.495 4.016 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172310957 1049875754 /nfs/dbraw/zinc/87/57/54/1049875754.db2.gz MGPBTJCXMJGQGX-QZTJIDSGSA-N 1 1 344.462 4.409 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001172354516 1049893439 /nfs/dbraw/zinc/89/34/39/1049893439.db2.gz ISSPLJCCSTWWLU-SFHVURJKSA-N 1 1 343.519 4.083 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001172354516 1049893441 /nfs/dbraw/zinc/89/34/41/1049893441.db2.gz ISSPLJCCSTWWLU-SFHVURJKSA-N 1 1 343.519 4.083 20 30 EIEDMO C=C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC001136812371 1049894561 /nfs/dbraw/zinc/89/45/61/1049894561.db2.gz CYDKLVVAWDBKCF-SBHAEUEKSA-N 1 1 340.511 4.069 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495741 1049921394 /nfs/dbraw/zinc/92/13/94/1049921394.db2.gz HHQXDRGDPNKADN-PXNSSMCTSA-N 1 1 349.519 4.324 20 30 EIEDMO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H](C)CCCC#N)C3)c1 ZINC001172495125 1049921940 /nfs/dbraw/zinc/92/19/40/1049921940.db2.gz MVWJPSMVQCZKLO-NRSPTQNISA-N 1 1 341.499 4.091 20 30 EIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496213 1049921959 /nfs/dbraw/zinc/92/19/59/1049921959.db2.gz KVWJJZLOUWANDZ-FXAWDEMLSA-N 1 1 349.519 4.324 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]([C@@H](C)CCCC#N)[C@@H]1CN2CCC1CC2 ZINC001172497727 1049922158 /nfs/dbraw/zinc/92/21/58/1049922158.db2.gz DUJCZYQDQQLPOX-WAOWUJCRSA-N 1 1 325.500 4.226 20 30 EIEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172498374 1049922828 /nfs/dbraw/zinc/92/28/28/1049922828.db2.gz KTSIKRLWNGOPHY-CUWPLCDZSA-N 1 1 325.500 4.403 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172505879 1049924330 /nfs/dbraw/zinc/92/43/30/1049924330.db2.gz WMOWHEFGMLGWAK-OALUTQOASA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172510350 1049925179 /nfs/dbraw/zinc/92/51/79/1049925179.db2.gz AGKPKTRHBOQEBD-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172510350 1049925181 /nfs/dbraw/zinc/92/51/81/1049925181.db2.gz AGKPKTRHBOQEBD-INIZCTEOSA-N 1 1 335.492 4.015 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508447 1049925551 /nfs/dbraw/zinc/92/55/51/1049925551.db2.gz DDJYPRCEHMMZOK-MRXNPFEDSA-N 1 1 349.519 4.323 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001172510103 1049925940 /nfs/dbraw/zinc/92/59/40/1049925940.db2.gz VNWWEPOELDPPLF-KLAILNCOSA-N 1 1 337.508 4.179 20 30 EIEDMO C[C@@H](CCCC#N)[N@@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508446 1049926023 /nfs/dbraw/zinc/92/60/23/1049926023.db2.gz DDJYPRCEHMMZOK-INIZCTEOSA-N 1 1 349.519 4.323 20 30 EIEDMO CCCC[C@@H]1C[C@H]([N@@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652580 1049955803 /nfs/dbraw/zinc/95/58/03/1049955803.db2.gz YDACMVGABPTHHP-IAGOWNOFSA-N 1 1 337.508 4.180 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648873 1049956035 /nfs/dbraw/zinc/95/60/35/1049956035.db2.gz KBWNVOCJMVPOSH-FGTMMUONSA-N 1 1 349.519 4.180 20 30 EIEDMO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172648873 1049956037 /nfs/dbraw/zinc/95/60/37/1049956037.db2.gz KBWNVOCJMVPOSH-FGTMMUONSA-N 1 1 349.519 4.180 20 30 EIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729078 1049967994 /nfs/dbraw/zinc/96/79/94/1049967994.db2.gz PAERWZDUDXNIMQ-CTNGQTDRSA-N 1 1 333.516 4.316 20 30 EIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(Cl)c2)no1 ZINC001212325123 1050059288 /nfs/dbraw/zinc/05/92/88/1050059288.db2.gz JDDUPLHMOOOAOQ-LBPRGKRZSA-N 1 1 343.736 4.212 20 30 EIEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N1CCCCCC1 ZINC001177209307 1050160973 /nfs/dbraw/zinc/16/09/73/1050160973.db2.gz LQMZZXHRSCWIBV-OAQYLSRUSA-N 1 1 339.527 4.232 20 30 EIEDMO CCCC[C@H](CC(C)C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001173255642 1050381639 /nfs/dbraw/zinc/38/16/39/1050381639.db2.gz LYHWPYCIBSJOLB-LJQANCHMSA-N 1 1 328.504 4.070 20 30 EIEDMO N#Cc1ccc(F)cc1S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001186756663 1050406916 /nfs/dbraw/zinc/40/69/16/1050406916.db2.gz DKZWQEIHVRCLLD-SFHVURJKSA-N 1 1 326.440 4.454 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001173326136 1050417879 /nfs/dbraw/zinc/41/78/79/1050417879.db2.gz VSKJPTNBEBOPSN-SOAGJPPSSA-N 1 1 343.467 4.124 20 30 EIEDMO C=CCOC1CCC([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001173327810 1050419876 /nfs/dbraw/zinc/41/98/76/1050419876.db2.gz STROHKFOQQHHBX-UHFFFAOYSA-N 1 1 336.273 4.279 20 30 EIEDMO CC[C@H](C)[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OCc1ccccc1 ZINC001173327726 1050420821 /nfs/dbraw/zinc/42/08/21/1050420821.db2.gz HUSOCMFGDIDNRJ-KTLDDFEXSA-N 1 1 342.483 4.207 20 30 EIEDMO N#CCC1CCC([N@@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001173331802 1050422423 /nfs/dbraw/zinc/42/24/23/1050422423.db2.gz UEURGMCIDZVXJN-UHFFFAOYSA-N 1 1 333.273 4.280 20 30 EIEDMO N#CCC1CCC([N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173331836 1050423532 /nfs/dbraw/zinc/42/35/32/1050423532.db2.gz UPAKLSCAPXUGRY-UUKMXZOPSA-N 1 1 340.467 4.057 20 30 EIEDMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173331019 1050423563 /nfs/dbraw/zinc/42/35/63/1050423563.db2.gz JTBIKSFVCOGOKM-ZLZJIPBDSA-N 1 1 349.519 4.084 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173337004 1050424498 /nfs/dbraw/zinc/42/44/98/1050424498.db2.gz VJRLRZHYBORBHO-OPQOLIRYSA-N 1 1 349.519 4.227 20 30 EIEDMO COc1cccc(C[C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173336540 1050424830 /nfs/dbraw/zinc/42/48/30/1050424830.db2.gz CWYDTQRZJSFMDE-SKINQDTJSA-N 1 1 326.484 4.422 20 30 EIEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173337002 1050425566 /nfs/dbraw/zinc/42/55/66/1050425566.db2.gz VJRLRZHYBORBHO-FOIPXRHGSA-N 1 1 349.519 4.227 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C1CCC(CC#N)CC1 ZINC001173337098 1050426080 /nfs/dbraw/zinc/42/60/80/1050426080.db2.gz ZCVDHUMILBGMKC-ZBABMDLNSA-N 1 1 346.515 4.434 20 30 EIEDMO N#CCC1CCC([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428549 /nfs/dbraw/zinc/42/85/49/1050428549.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 1 1 337.511 4.057 20 30 EIEDMO N#CCC1CCC([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428552 /nfs/dbraw/zinc/42/85/52/1050428552.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 1 1 337.511 4.057 20 30 EIEDMO COc1cccc([C@H]2CSCC[N@H+]2C2CCC(CC#N)CC2)c1 ZINC001173341371 1050430518 /nfs/dbraw/zinc/43/05/18/1050430518.db2.gz UVXKQIQXMJYNEU-GXOAENINSA-N 1 1 330.497 4.258 20 30 EIEDMO CN(C)c1ccc(C#N)cc1CNc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC001178416760 1050465536 /nfs/dbraw/zinc/46/55/36/1050465536.db2.gz CBGBVBZYLAABJN-UHFFFAOYSA-N 1 1 345.450 4.000 20 30 EIEDMO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001173592464 1050496720 /nfs/dbraw/zinc/49/67/20/1050496720.db2.gz PLULAPTUUDWUNP-BDWAOYLISA-N 1 1 325.500 4.054 20 30 EIEDMO COc1ccccc1O[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596468 1050497535 /nfs/dbraw/zinc/49/75/35/1050497535.db2.gz XXJGWXJFBUUQEF-OHTSDLOESA-N 1 1 328.456 4.011 20 30 EIEDMO CCOC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173600944 1050502781 /nfs/dbraw/zinc/50/27/81/1050502781.db2.gz MXBKDYVTKMGBSG-PPDQVPDSSA-N 1 1 328.456 4.085 20 30 EIEDMO C=CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCCCC1 ZINC001178727390 1050529167 /nfs/dbraw/zinc/52/91/67/1050529167.db2.gz RBOLJDXVAYEMMZ-WIYYLYMNSA-N 1 1 340.511 4.102 20 30 EIEDMO C#CCOc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC001178754449 1050545123 /nfs/dbraw/zinc/54/51/23/1050545123.db2.gz NUZRPPYZIJKRGK-UHFFFAOYSA-N 1 1 334.444 4.112 20 30 EIEDMO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711623 1050552216 /nfs/dbraw/zinc/55/22/16/1050552216.db2.gz FNGONXOZPAADBX-KNQAVFIVSA-N 1 1 346.474 4.358 20 30 EIEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711623 1050552233 /nfs/dbraw/zinc/55/22/33/1050552233.db2.gz FNGONXOZPAADBX-KNQAVFIVSA-N 1 1 346.474 4.358 20 30 EIEDMO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC001178851974 1050572497 /nfs/dbraw/zinc/57/24/97/1050572497.db2.gz PQDVJKGINMIJSO-GOSISDBHSA-N 1 1 341.499 4.406 20 30 EIEDMO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC#N)C[C@H]2CC1 ZINC001273551378 1050663412 /nfs/dbraw/zinc/66/34/12/1050663412.db2.gz LUOHOCTXCGEXFI-AQNXPRMDSA-N 1 1 347.547 4.067 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1OC ZINC001179913672 1050832450 /nfs/dbraw/zinc/83/24/50/1050832450.db2.gz CTALHSGFVPPEFF-UHFFFAOYSA-N 1 1 342.414 4.125 20 30 EIEDMO C=CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1ccc(OC)cc1 ZINC001179966102 1050850325 /nfs/dbraw/zinc/85/03/25/1050850325.db2.gz GGFUCHWCKOOYPQ-SREVYHEPSA-N 1 1 336.479 4.463 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097110 1050865915 /nfs/dbraw/zinc/86/59/15/1050865915.db2.gz BCCPCGWNTBDGGI-VQTJNVASSA-N 1 1 342.483 4.127 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755187 1050885519 /nfs/dbraw/zinc/88/55/19/1050885519.db2.gz BRYBGRLHOLJIHS-NSHDSACASA-N 1 1 348.805 4.219 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1Cl ZINC000619748840 1050896279 /nfs/dbraw/zinc/89/62/79/1050896279.db2.gz WJTJKRGYWPUSNI-UHFFFAOYSA-N 1 1 343.833 4.241 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC001180161482 1050906853 /nfs/dbraw/zinc/90/68/53/1050906853.db2.gz FCLLYXHQVBCSDD-JTHBVZDNSA-N 1 1 346.474 4.049 20 30 EIEDMO CC(C)(C#N)c1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001174392877 1050907688 /nfs/dbraw/zinc/90/76/88/1050907688.db2.gz LLRKDQIZPNICDD-UHFFFAOYSA-N 1 1 332.451 4.084 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968599 1050913031 /nfs/dbraw/zinc/91/30/31/1050913031.db2.gz RGPNJBLOLFWJJP-OAHLLOKOSA-N 1 1 338.442 4.288 20 30 EIEDMO Clc1ccccc1OC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001180219239 1050915802 /nfs/dbraw/zinc/91/58/02/1050915802.db2.gz LBPQDEWAKJMWFI-IBGZPJMESA-N 1 1 339.866 4.483 20 30 EIEDMO C=C(C)Cc1ccc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001190216314 1051138001 /nfs/dbraw/zinc/13/80/01/1051138001.db2.gz HERDWXYKLDKPQG-UHFFFAOYSA-N 1 1 344.418 4.097 20 30 EIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758111 1051179841 /nfs/dbraw/zinc/17/98/41/1051179841.db2.gz ACFFQVHIWPSNMU-YOEHRIQHSA-N 1 1 340.389 4.031 20 30 EIEDMO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)[C@H]1CCc2ccccc21 ZINC001190529551 1051205784 /nfs/dbraw/zinc/20/57/84/1051205784.db2.gz SQEZGRHFUMKFKJ-QGHLFXPHSA-N 1 1 332.447 4.116 20 30 EIEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC001181324613 1051208534 /nfs/dbraw/zinc/20/85/34/1051208534.db2.gz SRBLSUHUMZXSFW-OAQYLSRUSA-N 1 1 342.483 4.186 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001181411182 1051214702 /nfs/dbraw/zinc/21/47/02/1051214702.db2.gz ZIECLBOEWYLXER-KDURUIRLSA-N 1 1 344.499 4.368 20 30 EIEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819050 1051283299 /nfs/dbraw/zinc/28/32/99/1051283299.db2.gz RPIQJMWQWVIGJX-IBGZPJMESA-N 1 1 333.479 4.092 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001191012977 1051326212 /nfs/dbraw/zinc/32/62/12/1051326212.db2.gz DQKLDSRCSNOHPX-QGZVFWFLSA-N 1 1 330.472 4.094 20 30 EIEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773952744 1051339588 /nfs/dbraw/zinc/33/95/88/1051339588.db2.gz BPYNNLGIJYVYBM-GOSISDBHSA-N 1 1 336.863 4.023 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2CC(C)C)c1C#N ZINC001191113613 1051355990 /nfs/dbraw/zinc/35/59/90/1051355990.db2.gz ZJLPZSVBUXXEFZ-QGZVFWFLSA-N 1 1 328.456 4.136 20 30 EIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156576 1051366611 /nfs/dbraw/zinc/36/66/11/1051366611.db2.gz LXGHIXWUZFUSRH-YJBOKZPZSA-N 1 1 335.407 4.153 20 30 EIEDMO C=CCCCCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001191132780 1051376957 /nfs/dbraw/zinc/37/69/57/1051376957.db2.gz MIPXZXRUVPKMDU-UHFFFAOYSA-N 1 1 330.516 4.480 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001191132789 1051377358 /nfs/dbraw/zinc/37/73/58/1051377358.db2.gz MOKUOMBTBJKEHN-CQSZACIVSA-N 1 1 338.879 4.354 20 30 EIEDMO CCOc1cc(C)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)c1 ZINC001175171895 1051428138 /nfs/dbraw/zinc/42/81/38/1051428138.db2.gz OTMKQPXZKXRPMZ-UHFFFAOYSA-N 1 1 341.480 4.367 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC001191390874 1051437461 /nfs/dbraw/zinc/43/74/61/1051437461.db2.gz RRIFQECUNHXQQK-GOSISDBHSA-N 1 1 331.337 4.384 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC001191390874 1051437464 /nfs/dbraw/zinc/43/74/64/1051437464.db2.gz RRIFQECUNHXQQK-GOSISDBHSA-N 1 1 331.337 4.384 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000183830956 1051482393 /nfs/dbraw/zinc/48/23/93/1051482393.db2.gz YNTHGBAMMSJKEN-LBPRGKRZSA-N 1 1 345.786 4.290 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccccc2C)no1 ZINC000620937646 1051483428 /nfs/dbraw/zinc/48/34/28/1051483428.db2.gz RLJYGVWNGIAXRB-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccccc2C)no1 ZINC000620937646 1051483443 /nfs/dbraw/zinc/48/34/43/1051483443.db2.gz RLJYGVWNGIAXRB-UHFFFAOYSA-N 1 1 333.435 4.276 20 30 EIEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001191773956 1051533156 /nfs/dbraw/zinc/53/31/56/1051533156.db2.gz QDXZTQBCBYKNIQ-SFTDATJTSA-N 1 1 337.442 4.159 20 30 EIEDMO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC001175418121 1051580322 /nfs/dbraw/zinc/58/03/22/1051580322.db2.gz FKWHZNTXGZIIKF-LJQANCHMSA-N 1 1 343.833 4.343 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CCC(C)C)c1C#N ZINC001191920794 1051583360 /nfs/dbraw/zinc/58/33/60/1051583360.db2.gz PGUQXCTYBZQQMQ-QGZVFWFLSA-N 1 1 328.456 4.136 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCOCC(F)(F)F)C(C)(C)C)cc1 ZINC001192052413 1051623706 /nfs/dbraw/zinc/62/37/06/1051623706.db2.gz GPOUJCQMPOWAFM-UHFFFAOYSA-N 1 1 345.405 4.431 20 30 EIEDMO CC(C)(C)n1cc(C#N)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505577 1051637311 /nfs/dbraw/zinc/63/73/11/1051637311.db2.gz SXBRTSLWIFSXFV-UHFFFAOYSA-N 1 1 334.467 4.316 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175580203 1051676335 /nfs/dbraw/zinc/67/63/35/1051676335.db2.gz XBUHVBZPVHVEOD-MOPGFXCFSA-N 1 1 348.531 4.292 20 30 EIEDMO N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCCC1 ZINC001182929677 1051755130 /nfs/dbraw/zinc/75/51/30/1051755130.db2.gz GKKALVCTSXSINH-FPOVZHCZSA-N 1 1 337.511 4.418 20 30 EIEDMO CC(C)(C#N)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175859228 1051822307 /nfs/dbraw/zinc/82/23/07/1051822307.db2.gz AVUGSKKQWVMQQW-UHFFFAOYSA-N 1 1 335.451 4.064 20 30 EIEDMO N#Cc1cccc2c(Nc3cccc(C[NH+]4CCOCC4)c3)cccc12 ZINC001175860457 1051824628 /nfs/dbraw/zinc/82/46/28/1051824628.db2.gz XRJGKNGQRVBRNH-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192919359 1051833422 /nfs/dbraw/zinc/83/34/22/1051833422.db2.gz VABALRIJMVTPMI-MSOLQXFVSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192919359 1051833427 /nfs/dbraw/zinc/83/34/27/1051833427.db2.gz VABALRIJMVTPMI-MSOLQXFVSA-N 1 1 333.479 4.140 20 30 EIEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192919359 1051833432 /nfs/dbraw/zinc/83/34/32/1051833432.db2.gz VABALRIJMVTPMI-MSOLQXFVSA-N 1 1 333.479 4.140 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC001193011038 1051852479 /nfs/dbraw/zinc/85/24/79/1051852479.db2.gz FMRPSONMATVZAI-IBGZPJMESA-N 1 1 349.865 4.206 20 30 EIEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001193066229 1051860246 /nfs/dbraw/zinc/86/02/46/1051860246.db2.gz ABZCRGLRBBAFKU-HXUWFJFHSA-N 1 1 335.407 4.064 20 30 EIEDMO C=CCn1c(C)nn(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S ZINC000071939015 1051868950 /nfs/dbraw/zinc/86/89/50/1051868950.db2.gz WGWOJYDPTHBGTL-INIZCTEOSA-N 1 1 348.491 4.382 20 30 EIEDMO C#CC[C@@H]1CC[N@@H+](C[C@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903943 /nfs/dbraw/zinc/90/39/43/1051903943.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 1 1 346.518 4.247 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](C[C@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903955 /nfs/dbraw/zinc/90/39/55/1051903955.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 1 1 346.518 4.247 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823243 1051909060 /nfs/dbraw/zinc/90/90/60/1051909060.db2.gz QUKMRDCEVULPFU-YLJYHZDGSA-N 1 1 349.519 4.039 20 30 EIEDMO FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001176203069 1051951875 /nfs/dbraw/zinc/95/18/75/1051951875.db2.gz UQDPQOABBXLNFR-HOCLYGCPSA-N 1 1 327.777 4.356 20 30 EIEDMO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001176203069 1051951892 /nfs/dbraw/zinc/95/18/92/1051951892.db2.gz UQDPQOABBXLNFR-HOCLYGCPSA-N 1 1 327.777 4.356 20 30 EIEDMO Cc1cc[nH+]c(C)c1Nc1ccc(S(=O)(=O)OCC(C)(C)C)cc1 ZINC001176260424 1051988212 /nfs/dbraw/zinc/98/82/12/1051988212.db2.gz FEXAKXIVHWRTJT-UHFFFAOYSA-N 1 1 348.468 4.193 20 30 EIEDMO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001193762864 1051994719 /nfs/dbraw/zinc/99/47/19/1051994719.db2.gz SSVZOAFOIVSOEC-SFHVURJKSA-N 1 1 341.499 4.061 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921180 1052028305 /nfs/dbraw/zinc/02/83/05/1052028305.db2.gz WFUYKTHNQANWAA-MRXNPFEDSA-N 1 1 333.388 4.070 20 30 EIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC001194041556 1052060305 /nfs/dbraw/zinc/06/03/05/1052060305.db2.gz DMSQKIPYXWVFRD-UHFFFAOYSA-N 1 1 344.817 4.394 20 30 EIEDMO CCCC1CCC([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC001194052081 1052061734 /nfs/dbraw/zinc/06/17/34/1052061734.db2.gz NUGIGSCRJLJERW-UHFFFAOYSA-N 1 1 347.528 4.466 20 30 EIEDMO N#CCC1(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC001194106795 1052074113 /nfs/dbraw/zinc/07/41/13/1052074113.db2.gz BGOWKKGFIVDMGG-UHFFFAOYSA-N 1 1 333.273 4.355 20 30 EIEDMO C#CC[N@@H+](C[C@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454139 1052077694 /nfs/dbraw/zinc/07/76/94/1052077694.db2.gz ZPNWZDSLLFMCOL-PZJWPPBQSA-N 1 1 339.479 4.075 20 30 EIEDMO C#CC[N@@H+](C[C@@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454140 1052078092 /nfs/dbraw/zinc/07/80/92/1052078092.db2.gz ZPNWZDSLLFMCOL-TZIWHRDSSA-N 1 1 339.479 4.075 20 30 EIEDMO C=CC[C@H]([NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC001194291394 1052128636 /nfs/dbraw/zinc/12/86/36/1052128636.db2.gz NLWIAMDGXPXEDL-BZSNNMDCSA-N 1 1 335.875 4.464 20 30 EIEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1occ(C(F)(F)F)c1C(=O)OCC ZINC001176770887 1052193307 /nfs/dbraw/zinc/19/33/07/1052193307.db2.gz AXQCLKCTTDWLPK-GFCCVEGCSA-N 1 1 345.361 4.406 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1occ(C(F)(F)F)c1C(=O)OCC ZINC001176770887 1052193312 /nfs/dbraw/zinc/19/33/12/1052193312.db2.gz AXQCLKCTTDWLPK-GFCCVEGCSA-N 1 1 345.361 4.406 20 30 EIEDMO N#Cc1c(N)sc2c1CC[N@H+](CCCCc1cccc(Cl)c1)C2 ZINC001176771223 1052193951 /nfs/dbraw/zinc/19/39/51/1052193951.db2.gz IOSYYQDTCGUJCF-UHFFFAOYSA-N 1 1 345.899 4.236 20 30 EIEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC001176814891 1052196474 /nfs/dbraw/zinc/19/64/74/1052196474.db2.gz RKCBTCGVIAEGGM-IBGZPJMESA-N 1 1 332.447 4.100 20 30 EIEDMO C=CC[C@H]1CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC001176814891 1052196476 /nfs/dbraw/zinc/19/64/76/1052196476.db2.gz RKCBTCGVIAEGGM-IBGZPJMESA-N 1 1 332.447 4.100 20 30 EIEDMO C=CCCC[N@H+](CC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001176798466 1052197916 /nfs/dbraw/zinc/19/79/16/1052197916.db2.gz PZOUCSLXRIODCP-UHFFFAOYSA-N 1 1 343.496 4.345 20 30 EIEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC001176833571 1052198018 /nfs/dbraw/zinc/19/80/18/1052198018.db2.gz XIXUQZKZRKXLLG-MRXNPFEDSA-N 1 1 325.374 4.352 20 30 EIEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)cc1C#N ZINC001176990141 1052215093 /nfs/dbraw/zinc/21/50/93/1052215093.db2.gz CUGGXBJMLLIQLM-SFHVURJKSA-N 1 1 336.483 4.198 20 30 EIEDMO Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911022 1052279136 /nfs/dbraw/zinc/27/91/36/1052279136.db2.gz FAPPAKWVFYJTSW-VQTJNVASSA-N 1 1 338.451 4.328 20 30 EIEDMO N#CC(CC[N@@H+]1CCCC[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000176296695 1052615921 /nfs/dbraw/zinc/61/59/21/1052615921.db2.gz QNAMFODVSFLQIU-JOCHJYFZSA-N 1 1 348.490 4.123 20 30 EIEDMO C[C@H](C[N@@H+](C)Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000183249521 1052967717 /nfs/dbraw/zinc/96/77/17/1052967717.db2.gz FUJQZSDLTMYOEM-OAHLLOKOSA-N 1 1 329.469 4.061 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCc1cccc(Br)c1 ZINC001194691277 1053073191 /nfs/dbraw/zinc/07/31/91/1053073191.db2.gz HDNCIXFTQRSHFA-UHFFFAOYSA-N 1 1 343.268 4.304 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000850184539 1053082648 /nfs/dbraw/zinc/08/26/48/1053082648.db2.gz RFMAINWBWVRNDT-UHFFFAOYSA-N 1 1 341.798 4.093 20 30 EIEDMO C[C@H](C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755006 1053095257 /nfs/dbraw/zinc/09/52/57/1053095257.db2.gz MNLLPOLVSDXIGY-CVEARBPZSA-N 1 1 342.870 4.198 20 30 EIEDMO C=C(C)C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001194984499 1053221682 /nfs/dbraw/zinc/22/16/82/1053221682.db2.gz ROBWCWWCGAXKQW-ZWKOTPCHSA-N 1 1 348.462 4.084 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001195423734 1053409774 /nfs/dbraw/zinc/40/97/74/1053409774.db2.gz FOWAZPAWCQGTBR-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001195423734 1053409776 /nfs/dbraw/zinc/40/97/76/1053409776.db2.gz FOWAZPAWCQGTBR-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)N(Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001195423734 1053409779 /nfs/dbraw/zinc/40/97/79/1053409779.db2.gz FOWAZPAWCQGTBR-JOCHJYFZSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000765087739 1053436245 /nfs/dbraw/zinc/43/62/45/1053436245.db2.gz MDGBFQNALBCFGD-OAHLLOKOSA-N 1 1 348.475 4.051 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1ccc(C#N)o1 ZINC001195730003 1053463275 /nfs/dbraw/zinc/46/32/75/1053463275.db2.gz VZZHCLGOFUEYLZ-MRXNPFEDSA-N 1 1 330.815 4.323 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)o1 ZINC001195730003 1053463278 /nfs/dbraw/zinc/46/32/78/1053463278.db2.gz VZZHCLGOFUEYLZ-MRXNPFEDSA-N 1 1 330.815 4.323 20 30 EIEDMO CC(C)(C)[PH+](CCCNC(=O)c1ccc(C#N)cc1O)C(C)(C)C ZINC001195768178 1053474971 /nfs/dbraw/zinc/47/49/71/1053474971.db2.gz HYQSZMALIAJNFF-UHFFFAOYSA-N 1 1 348.427 4.463 20 30 EIEDMO Cc1ccc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000852308653 1053565356 /nfs/dbraw/zinc/56/53/56/1053565356.db2.gz KMQRQRIIPUXEMN-UHFFFAOYSA-N 1 1 339.395 4.054 20 30 EIEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047902 1053571427 /nfs/dbraw/zinc/57/14/27/1053571427.db2.gz HUYGPEDIRHSKQP-MJGOQNOKSA-N 1 1 348.531 4.147 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000852328595 1053571430 /nfs/dbraw/zinc/57/14/30/1053571430.db2.gz IRRFYKBGDPZIHE-QHCPKHFHSA-N 1 1 341.458 4.335 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000852328595 1053571437 /nfs/dbraw/zinc/57/14/37/1053571437.db2.gz IRRFYKBGDPZIHE-QHCPKHFHSA-N 1 1 341.458 4.335 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853492231 1053681303 /nfs/dbraw/zinc/68/13/03/1053681303.db2.gz ILNILUYITCGAHF-UHFFFAOYSA-N 1 1 328.847 4.154 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853492231 1053681307 /nfs/dbraw/zinc/68/13/07/1053681307.db2.gz ILNILUYITCGAHF-UHFFFAOYSA-N 1 1 328.847 4.154 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001196622003 1053716099 /nfs/dbraw/zinc/71/60/99/1053716099.db2.gz BIBNRGOHASEDDO-UHFFFAOYSA-N 1 1 330.353 4.330 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001196622003 1053716110 /nfs/dbraw/zinc/71/61/10/1053716110.db2.gz BIBNRGOHASEDDO-UHFFFAOYSA-N 1 1 330.353 4.330 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001196622734 1053716574 /nfs/dbraw/zinc/71/65/74/1053716574.db2.gz KJYKCVPARCUXBC-UHFFFAOYSA-N 1 1 346.352 4.210 20 30 EIEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000122184631 1053907835 /nfs/dbraw/zinc/90/78/35/1053907835.db2.gz NGKXLRJHMSJCFT-MRXNPFEDSA-N 1 1 325.431 4.369 20 30 EIEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001197700980 1053976570 /nfs/dbraw/zinc/97/65/70/1053976570.db2.gz BNROCJRQDWAOAN-QGZVFWFLSA-N 1 1 346.434 4.386 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000186164935 1054028941 /nfs/dbraw/zinc/02/89/41/1054028941.db2.gz WVFTUDHHOMQMHT-GOSISDBHSA-N 1 1 326.465 4.109 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001198244119 1054110163 /nfs/dbraw/zinc/11/01/63/1054110163.db2.gz ZYKWLIKWIJLWMY-QFIPXVFZSA-N 1 1 330.431 4.307 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001198269595 1054121178 /nfs/dbraw/zinc/12/11/78/1054121178.db2.gz AVAGELUGTFATQB-OWSFEGEDSA-N 1 1 344.458 4.174 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405853 1054139518 /nfs/dbraw/zinc/13/95/18/1054139518.db2.gz BNWQNKUSJWGBAI-QZTJIDSGSA-N 1 1 336.520 4.454 20 30 EIEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC001198666908 1054227833 /nfs/dbraw/zinc/22/78/33/1054227833.db2.gz GWYVIFWAAAEJNN-XMTFNYHQSA-N 1 1 334.504 4.149 20 30 EIEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083989 1054382832 /nfs/dbraw/zinc/38/28/32/1054382832.db2.gz GDPIUDNZWRCHSZ-CYBMUJFWSA-N 1 1 339.370 4.336 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011081 1054394744 /nfs/dbraw/zinc/39/47/44/1054394744.db2.gz QAULFMWYVFEMIS-NRFANRHFSA-N 1 1 347.462 4.183 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858137659 1054423206 /nfs/dbraw/zinc/42/32/06/1054423206.db2.gz CVGOFQVIOQCERN-UHFFFAOYSA-N 1 1 325.355 4.069 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1csc(Br)c1 ZINC001168580602 1054477982 /nfs/dbraw/zinc/47/79/82/1054477982.db2.gz PROQXZZWJSYOSA-UHFFFAOYSA-N 1 1 326.259 4.334 20 30 EIEDMO C[C@@H](C#N)OCC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068042 1054767316 /nfs/dbraw/zinc/76/73/16/1054767316.db2.gz JGRKCYWCXSFCNT-HNNXBMFYSA-N 1 1 339.464 4.160 20 30 EIEDMO CCC(C#N)(CC)C(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000860655349 1054846080 /nfs/dbraw/zinc/84/60/80/1054846080.db2.gz KITXMOMNTUCCSE-UZLBHIALSA-N 1 1 346.446 4.035 20 30 EIEDMO CCCCCCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201852790 1054923085 /nfs/dbraw/zinc/92/30/85/1054923085.db2.gz LOWFVKDFMVQOHA-CYBMUJFWSA-N 1 1 332.414 4.424 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201852790 1054923103 /nfs/dbraw/zinc/92/31/03/1054923103.db2.gz LOWFVKDFMVQOHA-CYBMUJFWSA-N 1 1 332.414 4.424 20 30 EIEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCCCCCCCC ZINC001201853063 1054923713 /nfs/dbraw/zinc/92/37/13/1054923713.db2.gz ZWSXYVUIAIAJOT-IBGZPJMESA-N 1 1 348.535 4.058 20 30 EIEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCCCCCCCC ZINC001201853063 1054923722 /nfs/dbraw/zinc/92/37/22/1054923722.db2.gz ZWSXYVUIAIAJOT-IBGZPJMESA-N 1 1 348.535 4.058 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001201838728 1054930791 /nfs/dbraw/zinc/93/07/91/1054930791.db2.gz FCLJVLAGSRVLQR-IBGZPJMESA-N 1 1 347.547 4.497 20 30 EIEDMO CCCCCCCCC[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201840101 1054931904 /nfs/dbraw/zinc/93/19/04/1054931904.db2.gz UBFGIWYCVKQYTB-HXUWFJFHSA-N 1 1 347.547 4.492 20 30 EIEDMO CCCCCCCCCC[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201874793 1054941312 /nfs/dbraw/zinc/94/13/12/1054941312.db2.gz GMASZXYTZNNUBZ-UHFFFAOYSA-N 1 1 349.519 4.312 20 30 EIEDMO CCCCCCCCCC[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201874793 1054941321 /nfs/dbraw/zinc/94/13/21/1054941321.db2.gz GMASZXYTZNNUBZ-UHFFFAOYSA-N 1 1 349.519 4.312 20 30 EIEDMO C=CCN1CC[C@]2(CCC[N@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201977662 1054955584 /nfs/dbraw/zinc/95/55/84/1054955584.db2.gz VRWDTBLMPTYFIB-FPOVZHCZSA-N 1 1 332.532 4.260 20 30 EIEDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876939687 1054986487 /nfs/dbraw/zinc/98/64/87/1054986487.db2.gz LNPCFKWJGKHQKW-ZDUSSCGKSA-N 1 1 329.831 4.245 20 30 EIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000777223032 1055004477 /nfs/dbraw/zinc/00/44/77/1055004477.db2.gz VHBOYQUGZVTLRU-IBGZPJMESA-N 1 1 342.487 4.074 20 30 EIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000877096161 1055017665 /nfs/dbraw/zinc/01/76/65/1055017665.db2.gz YLABIMSZFRIZES-INIZCTEOSA-N 1 1 339.826 4.143 20 30 EIEDMO N#CCOc1cccc(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877169177 1055031501 /nfs/dbraw/zinc/03/15/01/1055031501.db2.gz JALPTEHFFWMVIN-DENIHFKCSA-N 1 1 347.462 4.369 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)cc1 ZINC001137121542 1055068386 /nfs/dbraw/zinc/06/83/86/1055068386.db2.gz QFESTLXGWXUMLV-GOSISDBHSA-N 1 1 328.362 4.204 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)cc1 ZINC001137121542 1055068402 /nfs/dbraw/zinc/06/84/02/1055068402.db2.gz QFESTLXGWXUMLV-GOSISDBHSA-N 1 1 328.362 4.204 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000877523324 1055070684 /nfs/dbraw/zinc/07/06/84/1055070684.db2.gz IBKZPJDQUVCSTE-IAGOWNOFSA-N 1 1 331.460 4.032 20 30 EIEDMO C#CCCCCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000877523324 1055070696 /nfs/dbraw/zinc/07/06/96/1055070696.db2.gz IBKZPJDQUVCSTE-IAGOWNOFSA-N 1 1 331.460 4.032 20 30 EIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc3c(ccnc3Cl)o1)C2 ZINC000877660302 1055101222 /nfs/dbraw/zinc/10/12/22/1055101222.db2.gz LHUMGYYJGQQROR-UHFFFAOYSA-N 1 1 337.810 4.106 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc3c(ccnc3Cl)o1)C2 ZINC000877660302 1055101225 /nfs/dbraw/zinc/10/12/25/1055101225.db2.gz LHUMGYYJGQQROR-UHFFFAOYSA-N 1 1 337.810 4.106 20 30 EIEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877905005 1055149178 /nfs/dbraw/zinc/14/91/78/1055149178.db2.gz VLYRXUROLFOXAO-IBGZPJMESA-N 1 1 326.465 4.011 20 30 EIEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929538 1055154839 /nfs/dbraw/zinc/15/48/39/1055154839.db2.gz GVPRXMCCOUNKCD-QFIPXVFZSA-N 1 1 334.463 4.258 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968087 1055166007 /nfs/dbraw/zinc/16/60/07/1055166007.db2.gz IJXNLQRTNMPHKK-PGRDOPGGSA-N 1 1 334.463 4.429 20 30 EIEDMO CC[N@@H+](CCc1cccs1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878014282 1055174621 /nfs/dbraw/zinc/17/46/21/1055174621.db2.gz JMCXRPZRNBAVEX-FQEVSTJZSA-N 1 1 340.492 4.053 20 30 EIEDMO CC[C@H](C)[C@H](C)[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056078 1055182192 /nfs/dbraw/zinc/18/21/92/1055182192.db2.gz ADTAOKHHOKWASR-FIKGOQFSSA-N 1 1 326.484 4.326 20 30 EIEDMO CC[N@H+](Cc1ccc(C#N)cc1C)CC1CCN(c2ccccn2)CC1 ZINC000186246193 1055274263 /nfs/dbraw/zinc/27/42/63/1055274263.db2.gz NXQDMCCNBJTOTL-UHFFFAOYSA-N 1 1 348.494 4.000 20 30 EIEDMO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000624465219 1055306697 /nfs/dbraw/zinc/30/66/97/1055306697.db2.gz IDPDZEXMLBBXCI-WBVHZDCISA-N 1 1 349.544 4.033 20 30 EIEDMO CC(C)(C#N)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000903100002 1055541871 /nfs/dbraw/zinc/54/18/71/1055541871.db2.gz FOIDYAKPCJKMQQ-GFCCVEGCSA-N 1 1 325.275 4.125 20 30 EIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422258 1055806860 /nfs/dbraw/zinc/80/68/60/1055806860.db2.gz KAMJHKHLKNDGPZ-UXHICEINSA-N 1 1 342.389 4.189 20 30 EIEDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000553879520 1055865157 /nfs/dbraw/zinc/86/51/57/1055865157.db2.gz RKQZRVXPSCSRRJ-GFCCVEGCSA-N 1 1 344.256 4.129 20 30 EIEDMO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nc2ccccc12 ZINC000107896761 1055890724 /nfs/dbraw/zinc/89/07/24/1055890724.db2.gz NSGYZYSGFISEDG-UHFFFAOYSA-N 1 1 330.435 4.221 20 30 EIEDMO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nc2ccccc12 ZINC000107896761 1055890726 /nfs/dbraw/zinc/89/07/26/1055890726.db2.gz NSGYZYSGFISEDG-UHFFFAOYSA-N 1 1 330.435 4.221 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 ZINC000301746785 1055976206 /nfs/dbraw/zinc/97/62/06/1055976206.db2.gz QHNYXHMVYPENHY-SNVBAGLBSA-N 1 1 343.843 4.335 20 30 EIEDMO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301807160 1055986239 /nfs/dbraw/zinc/98/62/39/1055986239.db2.gz YFKVUVGPIWTJEX-WMLDXEAASA-N 1 1 349.400 4.030 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2c(cc1C#N)CCCC2 ZINC000301900755 1055999626 /nfs/dbraw/zinc/99/96/26/1055999626.db2.gz VBEPKCQTBKCGEN-UHFFFAOYSA-N 1 1 348.494 4.284 20 30 EIEDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412100 1056104338 /nfs/dbraw/zinc/10/43/38/1056104338.db2.gz USAMYIRUSQPIEN-JLHGSKIFSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412100 1056104358 /nfs/dbraw/zinc/10/43/58/1056104358.db2.gz USAMYIRUSQPIEN-JLHGSKIFSA-N 1 1 333.479 4.044 20 30 EIEDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412100 1056104385 /nfs/dbraw/zinc/10/43/85/1056104385.db2.gz USAMYIRUSQPIEN-JLHGSKIFSA-N 1 1 333.479 4.044 20 30 EIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000303144361 1056141787 /nfs/dbraw/zinc/14/17/87/1056141787.db2.gz FDCFSAJOYCDFMU-LJQANCHMSA-N 1 1 331.419 4.157 20 30 EIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000303144361 1056141802 /nfs/dbraw/zinc/14/18/02/1056141802.db2.gz FDCFSAJOYCDFMU-LJQANCHMSA-N 1 1 331.419 4.157 20 30 EIEDMO COc1ccc([C@@H]2C[C@H]([N@@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653661 1056159682 /nfs/dbraw/zinc/15/96/82/1056159682.db2.gz NJGWTVGXRCHRQG-QUCCMNQESA-N 1 1 328.456 4.074 20 30 EIEDMO CC[N@@H+](CCc1nc(-c2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000074350235 1056685484 /nfs/dbraw/zinc/68/54/84/1056685484.db2.gz DPUJTLSSDMAXGC-INIZCTEOSA-N 1 1 346.434 4.234 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000153879563 1056690793 /nfs/dbraw/zinc/69/07/93/1056690793.db2.gz AHGOYQZSZGHAGF-UHFFFAOYSA-N 1 1 349.478 4.061 20 30 EIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000063524664 1056815816 /nfs/dbraw/zinc/81/58/16/1056815816.db2.gz DQMYGVDNHUEGRO-HXUWFJFHSA-N 1 1 333.435 4.032 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803464 1058383508 /nfs/dbraw/zinc/38/35/08/1058383508.db2.gz BZENRNQYTPPMOW-WOJBJXKFSA-N 1 1 342.483 4.149 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000743852567 1059156268 /nfs/dbraw/zinc/15/62/68/1059156268.db2.gz PUPMJMZMQSAZGF-SFHVURJKSA-N 1 1 348.874 4.166 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000743859558 1059170288 /nfs/dbraw/zinc/17/02/88/1059170288.db2.gz BXEUCZFXPKGQKM-SFHVURJKSA-N 1 1 338.476 4.203 20 30 EIEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745707321 1059880602 /nfs/dbraw/zinc/88/06/02/1059880602.db2.gz ZLYAYXZHPUXNGX-RCCFBDPRSA-N 1 1 325.541 4.107 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCc1ccc(Cl)cc1 ZINC001168776747 1060117082 /nfs/dbraw/zinc/11/70/82/1060117082.db2.gz VMAOGXOHYGBNQL-UHFFFAOYSA-N 1 1 328.843 4.155 20 30 EIEDMO COC(=O)C1(C)CCC([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001168789604 1060345801 /nfs/dbraw/zinc/34/58/01/1060345801.db2.gz LOCFCNSEADAOKB-UHFFFAOYSA-N 1 1 348.874 4.178 20 30 EIEDMO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160355 1060673113 /nfs/dbraw/zinc/67/31/13/1060673113.db2.gz CYNVPILWVSQRNU-RDPOXOKHSA-N 1 1 338.495 4.312 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000767338740 1061193028 /nfs/dbraw/zinc/19/30/28/1061193028.db2.gz RJMPQUIVAPVMGE-HXUWFJFHSA-N 1 1 335.838 4.380 20 30 EIEDMO N#Cc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532243983 1032119752 /nfs/dbraw/zinc/11/97/52/1032119752.db2.gz QSDWFWGEHRNBBH-GOTSBHOMSA-N 1 1 345.490 4.045 20 30 EIEDMO C=C(Br)C[NH2+]Cc1ccc(OC)c(OCCCCC)c1 ZINC000729682018 1032131817 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CCC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(C#N)cc1 ZINC000508630377 1032411560 /nfs/dbraw/zinc/41/15/60/1032411560.db2.gz DUPHMPPFZYTZBA-UHFFFAOYSA-N 1 1 338.842 4.272 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764147 1032468527 /nfs/dbraw/zinc/46/85/27/1032468527.db2.gz QKCRALXISYWRLE-PXNSSMCTSA-N 1 1 348.446 4.215 20 30 EIEDMO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479925 1032523532 /nfs/dbraw/zinc/52/35/32/1032523532.db2.gz RTVJCQDKLXSACN-AZUAARDMSA-N 1 1 340.511 4.150 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000245937092 1032563716 /nfs/dbraw/zinc/56/37/16/1032563716.db2.gz AHDQXSYVDIRTKL-KKSFZXQISA-N 1 1 336.435 4.323 20 30 EIEDMO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)C ZINC000533251071 1032564232 /nfs/dbraw/zinc/56/42/32/1032564232.db2.gz ANECTWMQKGSEKC-MRXNPFEDSA-N 1 1 347.528 4.245 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285271 1032594301 /nfs/dbraw/zinc/59/43/01/1032594301.db2.gz YGMQMKOTCQURDC-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285271 1032594313 /nfs/dbraw/zinc/59/43/13/1032594313.db2.gz YGMQMKOTCQURDC-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO CC[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000533288575 1032599956 /nfs/dbraw/zinc/59/99/56/1032599956.db2.gz PKAGHEFXWAJYMV-AWEZNQCLSA-N 1 1 345.512 4.092 20 30 EIEDMO CC[N@H+](CCSc1ccnc2cc(Cl)ccc21)C[C@@H](C)C#N ZINC000512428405 1032745012 /nfs/dbraw/zinc/74/50/12/1032745012.db2.gz SZNZXJGCZGGUKQ-ZDUSSCGKSA-N 1 1 333.888 4.462 20 30 EIEDMO CC[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C[C@@H](C)C#N ZINC000512428405 1032745019 /nfs/dbraw/zinc/74/50/19/1032745019.db2.gz SZNZXJGCZGGUKQ-ZDUSSCGKSA-N 1 1 333.888 4.462 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000455249451 1032780596 /nfs/dbraw/zinc/78/05/96/1032780596.db2.gz QMLPQLOGSNZMKI-GOSISDBHSA-N 1 1 343.515 4.487 20 30 EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3sccc3CC#N)c2C1 ZINC000866838409 1018742981 /nfs/dbraw/zinc/74/29/81/1018742981.db2.gz KNKQMWRYEVVWFZ-UHFFFAOYSA-N 1 1 339.464 4.038 20 30 EIEDMO C=CCC[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000547647218 1019041059 /nfs/dbraw/zinc/04/10/59/1019041059.db2.gz XJUNJPBKEJHGBS-OAQYLSRUSA-N 1 1 342.527 4.315 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)c(C(F)(F)F)c1 ZINC000414482841 1019365390 /nfs/dbraw/zinc/36/53/90/1019365390.db2.gz XYPIVAPOLCVWRN-UHFFFAOYSA-N 1 1 340.414 4.439 20 30 EIEDMO CCC[N@H+]1Cc2cccc(N=Cc3cc4ccccc4[nH]c3=O)c2C1 ZINC000254975354 1019664231 /nfs/dbraw/zinc/66/42/31/1019664231.db2.gz QXCYNMDDQUXUOO-UHFFFAOYSA-N 1 1 331.419 4.417 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000533411066 1019671591 /nfs/dbraw/zinc/67/15/91/1019671591.db2.gz VGEWIEBNNRLJTO-UHFFFAOYSA-N 1 1 346.521 4.405 20 30 EIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)s1 ZINC000533411066 1019671601 /nfs/dbraw/zinc/67/16/01/1019671601.db2.gz VGEWIEBNNRLJTO-UHFFFAOYSA-N 1 1 346.521 4.405 20 30 EIEDMO Cc1ccc(C[N@@H+](C)CCCOc2cccc(Cl)c2)cc1C#N ZINC001167094141 1019903635 /nfs/dbraw/zinc/90/36/35/1019903635.db2.gz FLIOTRFDQFTSSQ-UHFFFAOYSA-N 1 1 328.843 4.421 20 30 EIEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209432889 1020327418 /nfs/dbraw/zinc/32/74/18/1020327418.db2.gz LZNNTYSJGLMEBX-AWEZNQCLSA-N 1 1 343.393 4.085 20 30 EIEDMO C=CCCCCCCC[N@H+]1CCc2ncn(C)c2[C@@H]1COCC=C ZINC001209439714 1020343011 /nfs/dbraw/zinc/34/30/11/1020343011.db2.gz WPQIEXXQTOFVIP-IBGZPJMESA-N 1 1 331.504 4.049 20 30 EIEDMO C=CCCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001209439675 1020343314 /nfs/dbraw/zinc/34/33/14/1020343314.db2.gz VMTBJEOYSDSBFJ-OAQYLSRUSA-N 1 1 341.499 4.037 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209444291 1020353357 /nfs/dbraw/zinc/35/33/57/1020353357.db2.gz OWIPWSKANGMFCV-VQTJNVASSA-N 1 1 334.548 4.482 20 30 EIEDMO C=CCCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 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CCOc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001167205859 1020548314 /nfs/dbraw/zinc/54/83/14/1020548314.db2.gz KDFYJOWXEZGXES-UHFFFAOYSA-N 1 1 325.839 4.149 20 30 EIEDMO CCOc1ccc2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001167205859 1020548330 /nfs/dbraw/zinc/54/83/30/1020548330.db2.gz KDFYJOWXEZGXES-UHFFFAOYSA-N 1 1 325.839 4.149 20 30 EIEDMO C#CC[N@H+](Cc1ccc(Br)c(F)c1F)C1CCCCC1 ZINC001167274124 1020754470 /nfs/dbraw/zinc/75/44/70/1020754470.db2.gz YTVSWKDBIOEBMA-UHFFFAOYSA-N 1 1 342.227 4.495 20 30 EIEDMO C=CCc1cc(C[NH2+]Cc2c(F)cccc2SC)cc(OC)c1O ZINC000512502296 1032950204 /nfs/dbraw/zinc/95/02/04/1032950204.db2.gz XXRNWCFLILRBOK-UHFFFAOYSA-N 1 1 347.455 4.280 20 30 EIEDMO CC1(C)CCCC[C@H]1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167317967 1021070027 /nfs/dbraw/zinc/07/00/27/1021070027.db2.gz AIPPKTXRWZMOCC-IBGZPJMESA-N 1 1 325.500 4.287 20 30 EIEDMO CC(C)(C)c1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000180030299 1021377048 /nfs/dbraw/zinc/37/70/48/1021377048.db2.gz IHTBSVSGLULGNA-UHFFFAOYSA-N 1 1 325.481 4.477 20 30 EIEDMO CC(C)(C)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000180030299 1021377067 /nfs/dbraw/zinc/37/70/67/1021377067.db2.gz IHTBSVSGLULGNA-UHFFFAOYSA-N 1 1 325.481 4.477 20 30 EIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000610371932 1021557439 /nfs/dbraw/zinc/55/74/39/1021557439.db2.gz HFIFBPBYWBPFSE-AWEZNQCLSA-N 1 1 327.209 4.004 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180083101 1021667164 /nfs/dbraw/zinc/66/71/64/1021667164.db2.gz PNTAUIDJEVZKCL-OAQYLSRUSA-N 1 1 343.386 4.346 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000580253770 1021764334 /nfs/dbraw/zinc/76/43/34/1021764334.db2.gz MQKPKAMZLNTEFH-QGZVFWFLSA-N 1 1 330.353 4.394 20 30 EIEDMO C=CCC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1 ZINC000414080653 1021812201 /nfs/dbraw/zinc/81/22/01/1021812201.db2.gz AMOQIIYJAWNNPA-DZGCQCFKSA-N 1 1 330.453 4.288 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(OC(F)F)c1 ZINC001167381144 1021863585 /nfs/dbraw/zinc/86/35/85/1021863585.db2.gz KGMHRJGDHAREHT-LJQANCHMSA-N 1 1 332.394 4.482 20 30 EIEDMO C=CCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000511486043 1021884001 /nfs/dbraw/zinc/88/40/01/1021884001.db2.gz AROGDQZHMYFMDO-UHFFFAOYSA-N 1 1 336.907 4.069 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000561130752 1022075246 /nfs/dbraw/zinc/07/52/46/1022075246.db2.gz HLSVPFSXEBDUCR-JOCHJYFZSA-N 1 1 337.511 4.322 20 30 EIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000549378770 1022136728 /nfs/dbraw/zinc/13/67/28/1022136728.db2.gz WJPSSKNTWYWLOY-ZDUSSCGKSA-N 1 1 329.241 4.365 20 30 EIEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400827 1022333977 /nfs/dbraw/zinc/33/39/77/1022333977.db2.gz KDMVODUQKWRNFW-KKSFZXQISA-N 1 1 339.458 4.431 20 30 EIEDMO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000580682464 1022378018 /nfs/dbraw/zinc/37/80/18/1022378018.db2.gz MYSARVWLJMVKBP-INIZCTEOSA-N 1 1 325.481 4.203 20 30 EIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000580682464 1022378036 /nfs/dbraw/zinc/37/80/36/1022378036.db2.gz MYSARVWLJMVKBP-INIZCTEOSA-N 1 1 325.481 4.203 20 30 EIEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000580831373 1022584093 /nfs/dbraw/zinc/58/40/93/1022584093.db2.gz QALXOZRAXRWVHK-FQEVSTJZSA-N 1 1 344.474 4.323 20 30 EIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001167733892 1022615042 /nfs/dbraw/zinc/61/50/42/1022615042.db2.gz FIEVYPYCWIHESQ-OAQYLSRUSA-N 1 1 344.462 4.215 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691421 1033070427 /nfs/dbraw/zinc/07/04/27/1033070427.db2.gz CARHJGRZXLMLSA-KCXAZCMYSA-N 1 1 326.337 4.268 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000549691421 1033070448 /nfs/dbraw/zinc/07/04/48/1033070448.db2.gz CARHJGRZXLMLSA-KCXAZCMYSA-N 1 1 326.337 4.268 20 30 EIEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893197924 1022660416 /nfs/dbraw/zinc/66/04/16/1022660416.db2.gz DZSBFDFAFFWKHA-WMZOPIPTSA-N 1 1 349.544 4.129 20 30 EIEDMO CCOc1cc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000255916213 1022701184 /nfs/dbraw/zinc/70/11/84/1022701184.db2.gz LHHQLCWQLVMQRQ-WMZJFQQLSA-N 1 1 348.402 4.181 20 30 EIEDMO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000177860687 1022725470 /nfs/dbraw/zinc/72/54/70/1022725470.db2.gz WJKXCCFDGGGUHW-LLVKDONJSA-N 1 1 348.805 4.219 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000180620740 1022752543 /nfs/dbraw/zinc/75/25/43/1022752543.db2.gz SRXYCCRLAWDOIW-YOEHRIQHSA-N 1 1 330.453 4.081 20 30 EIEDMO CC[C@](C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000177267670 1022896081 /nfs/dbraw/zinc/89/60/81/1022896081.db2.gz BZPZNEAJHGYWBK-INIZCTEOSA-N 1 1 338.398 4.428 20 30 EIEDMO C[C@H]1C[C@H](N(C)Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156980156 1022921000 /nfs/dbraw/zinc/92/10/00/1022921000.db2.gz RFTVCYXMHBKKLV-PGRDOPGGSA-N 1 1 333.479 4.043 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276144492 1023042001 /nfs/dbraw/zinc/04/20/01/1023042001.db2.gz ZEENVZRWXPFWLK-HXUWFJFHSA-N 1 1 348.494 4.427 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276144492 1023042014 /nfs/dbraw/zinc/04/20/14/1023042014.db2.gz ZEENVZRWXPFWLK-HXUWFJFHSA-N 1 1 348.494 4.427 20 30 EIEDMO Fc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001140879259 1023112770 /nfs/dbraw/zinc/11/27/70/1023112770.db2.gz UXLXBJCHXXYIID-AOOOYVTPSA-N 1 1 341.270 4.461 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000328776158 1023181172 /nfs/dbraw/zinc/18/11/72/1023181172.db2.gz KWIUJFRBNPBIJE-LLVKDONJSA-N 1 1 336.386 4.353 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000328776158 1023181183 /nfs/dbraw/zinc/18/11/83/1023181183.db2.gz KWIUJFRBNPBIJE-LLVKDONJSA-N 1 1 336.386 4.353 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000328776158 1023181195 /nfs/dbraw/zinc/18/11/95/1023181195.db2.gz KWIUJFRBNPBIJE-LLVKDONJSA-N 1 1 336.386 4.353 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779951 1023311023 /nfs/dbraw/zinc/31/10/23/1023311023.db2.gz XYEGPCOCRAPGQP-XMSQKQJNSA-N 1 1 345.490 4.406 20 30 EIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000341185090 1023337642 /nfs/dbraw/zinc/33/76/42/1023337642.db2.gz DVEAXQICJJLSNY-HNNXBMFYSA-N 1 1 345.512 4.141 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000377053934 1023360149 /nfs/dbraw/zinc/36/01/49/1023360149.db2.gz VUUIYGKENPUIGX-AWEZNQCLSA-N 1 1 342.409 4.259 20 30 EIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1nc(C#N)cs1 ZINC000584868178 1023407777 /nfs/dbraw/zinc/40/77/77/1023407777.db2.gz TZGYRYVJBQHOIQ-AWEZNQCLSA-N 1 1 326.469 4.314 20 30 EIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1nc(C#N)cs1 ZINC000584868178 1023407780 /nfs/dbraw/zinc/40/77/80/1023407780.db2.gz TZGYRYVJBQHOIQ-AWEZNQCLSA-N 1 1 326.469 4.314 20 30 EIEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276416281 1023476108 /nfs/dbraw/zinc/47/61/08/1023476108.db2.gz HSFXBMAGYHGWDH-SFHVURJKSA-N 1 1 340.496 4.251 20 30 EIEDMO N#CC1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC000418144523 1023556547 /nfs/dbraw/zinc/55/65/47/1023556547.db2.gz UJCPJEBAFUMRIR-UHFFFAOYSA-N 1 1 347.178 4.251 20 30 EIEDMO COC1([C@@H]([NH2+]CC2(C#N)CC2)c2cccc(C(F)(F)F)c2)CCC1 ZINC000926873304 1023564835 /nfs/dbraw/zinc/56/48/35/1023564835.db2.gz FIRDGNUUZYRNFW-HNNXBMFYSA-N 1 1 338.373 4.209 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C#N)CCC2)o1 ZINC000418145919 1023565129 /nfs/dbraw/zinc/56/51/29/1023565129.db2.gz ZMAFNWLVOLDSMZ-UHFFFAOYSA-N 1 1 346.434 4.224 20 30 EIEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759846410 1023708262 /nfs/dbraw/zinc/70/82/62/1023708262.db2.gz XLZNIJNRHUEBGO-IBGZPJMESA-N 1 1 344.817 4.049 20 30 EIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000047257333 1023877962 /nfs/dbraw/zinc/87/79/62/1023877962.db2.gz MIJTUOBJWONQLB-UHFFFAOYSA-N 1 1 343.430 4.337 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1 ZINC000276710003 1023881717 /nfs/dbraw/zinc/88/17/17/1023881717.db2.gz ORMJGFRFJBUEMB-INIZCTEOSA-N 1 1 330.476 4.015 20 30 EIEDMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C1CCCCC1 ZINC000328865325 1023894587 /nfs/dbraw/zinc/89/45/87/1023894587.db2.gz BQDGRDQISLGWIT-MRXNPFEDSA-N 1 1 347.434 4.122 20 30 EIEDMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C)cc1 ZINC000181680762 1023949977 /nfs/dbraw/zinc/94/99/77/1023949977.db2.gz BENWJSDJVSCGFD-SFHVURJKSA-N 1 1 332.407 4.158 20 30 EIEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000510514217 1023977252 /nfs/dbraw/zinc/97/72/52/1023977252.db2.gz LRAJZYNYCULVBL-INIZCTEOSA-N 1 1 347.462 4.351 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661380674 1024079065 /nfs/dbraw/zinc/07/90/65/1024079065.db2.gz IJLGHKMRLFTIIE-CQSZACIVSA-N 1 1 340.389 4.322 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000661378755 1024083901 /nfs/dbraw/zinc/08/39/01/1024083901.db2.gz LRYYELAYWVHQNE-KRWDZBQOSA-N 1 1 335.451 4.026 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCCCC3)o2)c1 ZINC000075641812 1024197665 /nfs/dbraw/zinc/19/76/65/1024197665.db2.gz UJDWDRVUZPLWAY-GOSISDBHSA-N 1 1 336.439 4.153 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000661153038 1024275634 /nfs/dbraw/zinc/27/56/34/1024275634.db2.gz HJEMRWFBXZENNJ-CQSZACIVSA-N 1 1 349.272 4.038 20 30 EIEDMO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(C)(C)C ZINC000661756467 1024469828 /nfs/dbraw/zinc/46/98/28/1024469828.db2.gz QAYINHUJPZOJQS-UHFFFAOYSA-N 1 1 339.361 4.141 20 30 EIEDMO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(C)(C)C ZINC000661756467 1024469864 /nfs/dbraw/zinc/46/98/64/1024469864.db2.gz QAYINHUJPZOJQS-UHFFFAOYSA-N 1 1 339.361 4.141 20 30 EIEDMO COc1ccc(F)c(F)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001143412265 1024527339 /nfs/dbraw/zinc/52/73/39/1024527339.db2.gz OATDGBGLHUWQCG-UHFFFAOYSA-N 1 1 342.389 4.225 20 30 EIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC#Cc1ccccc1Cl ZINC000473160247 1024698996 /nfs/dbraw/zinc/69/89/96/1024698996.db2.gz KCCHDUCSWZPFQB-UHFFFAOYSA-N 1 1 337.854 4.103 20 30 EIEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(C)(C)CCC#N ZINC000092013412 1024713986 /nfs/dbraw/zinc/71/39/86/1024713986.db2.gz RWPUORGXVGOGJA-HOTGVXAUSA-N 1 1 337.508 4.084 20 30 EIEDMO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872141 1024896419 /nfs/dbraw/zinc/89/64/19/1024896419.db2.gz NERCYECSSVONSF-PZJWPPBQSA-N 1 1 336.483 4.182 20 30 EIEDMO CCCn1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872141 1024896423 /nfs/dbraw/zinc/89/64/23/1024896423.db2.gz NERCYECSSVONSF-PZJWPPBQSA-N 1 1 336.483 4.182 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000188448353 1024974344 /nfs/dbraw/zinc/97/43/44/1024974344.db2.gz ALIKQEIYBLNDFI-NRFANRHFSA-N 1 1 340.467 4.130 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000188448353 1024974349 /nfs/dbraw/zinc/97/43/49/1024974349.db2.gz ALIKQEIYBLNDFI-NRFANRHFSA-N 1 1 340.467 4.130 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccccc1Cl ZINC000342007226 1025034487 /nfs/dbraw/zinc/03/44/87/1025034487.db2.gz ANGPEDVXSCWNJD-INIZCTEOSA-N 1 1 349.906 4.121 20 30 EIEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893567053 1025061366 /nfs/dbraw/zinc/06/13/66/1025061366.db2.gz JJGDVPSGLBLUMX-WMZOPIPTSA-N 1 1 330.428 4.111 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000181295321 1025155352 /nfs/dbraw/zinc/15/53/52/1025155352.db2.gz PXAJLPOPVRIOSE-LLVKDONJSA-N 1 1 325.334 4.324 20 30 EIEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000181295321 1025155358 /nfs/dbraw/zinc/15/53/58/1025155358.db2.gz PXAJLPOPVRIOSE-LLVKDONJSA-N 1 1 325.334 4.324 20 30 EIEDMO CC1([N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnc(C#N)c2)CCCC1 ZINC000610993275 1025241946 /nfs/dbraw/zinc/24/19/46/1025241946.db2.gz JMFSTIONEKONNL-UHFFFAOYSA-N 1 1 349.434 4.017 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2CCCC2)c1C ZINC000439962479 1025476299 /nfs/dbraw/zinc/47/62/99/1025476299.db2.gz KVNBHSBODUBLDY-UHFFFAOYSA-N 1 1 341.499 4.203 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000303647227 1025562130 /nfs/dbraw/zinc/56/21/30/1025562130.db2.gz AFPYKJVMHSILHT-CQSZACIVSA-N 1 1 345.899 4.152 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(Br)cc1 ZINC000609487609 1025707277 /nfs/dbraw/zinc/70/72/77/1025707277.db2.gz QHORGTPDGFLCLJ-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(Br)cc1 ZINC000609487609 1025707306 /nfs/dbraw/zinc/70/73/06/1025707306.db2.gz QHORGTPDGFLCLJ-UHFFFAOYSA-N 1 1 339.277 4.090 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719659 1025802322 /nfs/dbraw/zinc/80/23/22/1025802322.db2.gz ICIYTZZVTHWMDJ-MBOZVWFJSA-N 1 1 345.918 4.491 20 30 EIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000512036526 1025814326 /nfs/dbraw/zinc/81/43/26/1025814326.db2.gz JTJNZGBOUNRZFV-UHFFFAOYSA-N 1 1 342.446 4.445 20 30 EIEDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609384859 1025857811 /nfs/dbraw/zinc/85/78/11/1025857811.db2.gz KWXNACQLQKQUJW-HOTGVXAUSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609384859 1025857814 /nfs/dbraw/zinc/85/78/14/1025857814.db2.gz KWXNACQLQKQUJW-HOTGVXAUSA-N 1 1 345.512 4.141 20 30 EIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cscc3C#N)cc2)C1 ZINC000432398354 1025865053 /nfs/dbraw/zinc/86/50/53/1025865053.db2.gz DLWMXEXEAVFZAT-AWEZNQCLSA-N 1 1 339.464 4.104 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](CC=C)Cc2cccc(C#N)c2)cc1OC ZINC000512068103 1025874715 /nfs/dbraw/zinc/87/47/15/1025874715.db2.gz PUDUPHMSGNHKJQ-UHFFFAOYSA-N 1 1 348.446 4.320 20 30 EIEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC001167516331 1025892485 /nfs/dbraw/zinc/89/24/85/1025892485.db2.gz DVJKDYJLALPBIL-IBGZPJMESA-N 1 1 328.843 4.076 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000550113424 1026143102 /nfs/dbraw/zinc/14/31/02/1026143102.db2.gz XVFHINNMTCWEQP-ZDUSSCGKSA-N 1 1 326.827 4.340 20 30 EIEDMO COc1cc2c(cc1Cl)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000550113424 1026143112 /nfs/dbraw/zinc/14/31/12/1026143112.db2.gz XVFHINNMTCWEQP-ZDUSSCGKSA-N 1 1 326.827 4.340 20 30 EIEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073569 1026169972 /nfs/dbraw/zinc/16/99/72/1026169972.db2.gz HGSWCHKKVGOSIT-OAHLLOKOSA-N 1 1 325.843 4.095 20 30 EIEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000279243233 1026232153 /nfs/dbraw/zinc/23/21/53/1026232153.db2.gz KHWRRCRDPHEPNA-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)c1cccc(C#N)c1 ZINC000344305403 1026234051 /nfs/dbraw/zinc/23/40/51/1026234051.db2.gz XMNNVWUYBAEPRZ-KGLIPLIRSA-N 1 1 334.448 4.489 20 30 EIEDMO N#CCCCOc1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000344367147 1026286413 /nfs/dbraw/zinc/28/64/13/1026286413.db2.gz WDPMICVBMSSXOI-UHFFFAOYSA-N 1 1 341.480 4.385 20 30 EIEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724501 1026313226 /nfs/dbraw/zinc/31/32/26/1026313226.db2.gz UYMQXXBUCJWDKH-HOTGVXAUSA-N 1 1 325.481 4.060 20 30 EIEDMO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](C)N1CCCC(C)(C)C#N ZINC000187105626 1026318925 /nfs/dbraw/zinc/31/89/25/1026318925.db2.gz JRXAIUJCOJFUAH-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000187105626 1026318944 /nfs/dbraw/zinc/31/89/44/1026318944.db2.gz JRXAIUJCOJFUAH-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000187105626 1026318957 /nfs/dbraw/zinc/31/89/57/1026318957.db2.gz JRXAIUJCOJFUAH-HDICACEKSA-N 1 1 332.536 4.041 20 30 EIEDMO Fc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143443944 1026379230 /nfs/dbraw/zinc/37/92/30/1026379230.db2.gz OEYVTOWNAVEXRO-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143443944 1026379242 /nfs/dbraw/zinc/37/92/42/1026379242.db2.gz OEYVTOWNAVEXRO-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167561999 1026423752 /nfs/dbraw/zinc/42/37/52/1026423752.db2.gz DGQPEDJXKVKXNT-ROUUACIJSA-N 1 1 336.520 4.195 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1C(F)(F)F ZINC000512200163 1026424492 /nfs/dbraw/zinc/42/44/92/1026424492.db2.gz YLYZYHNXQATVNC-UHFFFAOYSA-N 1 1 339.357 4.369 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1C(F)(F)F ZINC000512200163 1026424497 /nfs/dbraw/zinc/42/44/97/1026424497.db2.gz YLYZYHNXQATVNC-UHFFFAOYSA-N 1 1 339.357 4.369 20 30 EIEDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000395697719 1026518414 /nfs/dbraw/zinc/51/84/14/1026518414.db2.gz JPZAFJWDJUJDJK-KRWDZBQOSA-N 1 1 335.451 4.188 20 30 EIEDMO C=CCC(C)(C)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000432559013 1026525793 /nfs/dbraw/zinc/52/57/93/1026525793.db2.gz QFSMGPPHUKJZTF-WBVHZDCISA-N 1 1 349.544 4.033 20 30 EIEDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000511113882 1026566844 /nfs/dbraw/zinc/56/68/44/1026566844.db2.gz GFAZWZVYBGUGTM-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000511113882 1026566859 /nfs/dbraw/zinc/56/68/59/1026566859.db2.gz GFAZWZVYBGUGTM-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000152466629 1026586593 /nfs/dbraw/zinc/58/65/93/1026586593.db2.gz VUHQNVCEEVFISW-INIZCTEOSA-N 1 1 329.444 4.226 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000152466629 1026586604 /nfs/dbraw/zinc/58/66/04/1026586604.db2.gz VUHQNVCEEVFISW-INIZCTEOSA-N 1 1 329.444 4.226 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)c(C#N)c1C ZINC000426990455 1026662050 /nfs/dbraw/zinc/66/20/50/1026662050.db2.gz IOLOMGMPFYXXEK-AWEZNQCLSA-N 1 1 333.501 4.076 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000507170200 1026684386 /nfs/dbraw/zinc/68/43/86/1026684386.db2.gz MDUKQCNJTWGIFT-UHFFFAOYSA-N 1 1 330.435 4.155 20 30 EIEDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C#N)cc1 ZINC000507213945 1026704962 /nfs/dbraw/zinc/70/49/62/1026704962.db2.gz QYKLEKNXFQXUSA-UHFFFAOYSA-N 1 1 347.374 4.358 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000277655469 1026727161 /nfs/dbraw/zinc/72/71/61/1026727161.db2.gz IORDIUHESASCAA-OALUTQOASA-N 1 1 332.463 4.434 20 30 EIEDMO Cc1nc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cs1 ZINC000048782760 1026728471 /nfs/dbraw/zinc/72/84/71/1026728471.db2.gz ZDFQWWSTPMUQGC-UHFFFAOYSA-N 1 1 349.459 4.192 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000479442904 1026813856 /nfs/dbraw/zinc/81/38/56/1026813856.db2.gz XCCLLDUSIQLTEP-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO COc1ncc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000342696413 1026856060 /nfs/dbraw/zinc/85/60/60/1026856060.db2.gz IUFAPVNRPZIGAS-GUYCJALGSA-N 1 1 329.831 4.439 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2csc(N(CC)C(C)=O)n2)CCCC1(C)C ZINC000277766558 1026896386 /nfs/dbraw/zinc/89/63/86/1026896386.db2.gz MSAGGTXYRZOHEM-INIZCTEOSA-N 1 1 335.517 4.083 20 30 EIEDMO C=CC[C@@H]1[N@@H+](Cc2csc(N(CC)C(C)=O)n2)CCCC1(C)C ZINC000277766558 1026896388 /nfs/dbraw/zinc/89/63/88/1026896388.db2.gz MSAGGTXYRZOHEM-INIZCTEOSA-N 1 1 335.517 4.083 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1cccc(C#N)c1 ZINC000178628682 1026906262 /nfs/dbraw/zinc/90/62/62/1026906262.db2.gz YZGHMVGQXUGDRI-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C)c1ccc(F)c(F)c1 ZINC000187765123 1027020318 /nfs/dbraw/zinc/02/03/18/1027020318.db2.gz CAPPAJRMCTUXSX-IBGZPJMESA-N 1 1 330.378 4.119 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908015 1027042650 /nfs/dbraw/zinc/04/26/50/1027042650.db2.gz BAMALTWEPFKZSK-AWEZNQCLSA-N 1 1 342.405 4.123 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908015 1027042658 /nfs/dbraw/zinc/04/26/58/1027042658.db2.gz BAMALTWEPFKZSK-AWEZNQCLSA-N 1 1 342.405 4.123 20 30 EIEDMO Cc1ccc([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075638326 1027055508 /nfs/dbraw/zinc/05/55/08/1027055508.db2.gz ZEZVEAHXCWCBJM-HNNXBMFYSA-N 1 1 332.407 4.110 20 30 EIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075638326 1027055515 /nfs/dbraw/zinc/05/55/15/1027055515.db2.gz ZEZVEAHXCWCBJM-HNNXBMFYSA-N 1 1 332.407 4.110 20 30 EIEDMO CCOc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000282003670 1027103423 /nfs/dbraw/zinc/10/34/23/1027103423.db2.gz NVHKVBYUDBRJTK-UHFFFAOYSA-N 1 1 344.499 4.396 20 30 EIEDMO C=CC[N@H+](CCOc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000520135358 1027231545 /nfs/dbraw/zinc/23/15/45/1027231545.db2.gz IKLCBGRCAKMIAB-UHFFFAOYSA-N 1 1 326.827 4.279 20 30 EIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000520174369 1027293936 /nfs/dbraw/zinc/29/39/36/1027293936.db2.gz GHCYOHHLTSDTCH-LJQANCHMSA-N 1 1 341.499 4.144 20 30 EIEDMO Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000520174192 1027297141 /nfs/dbraw/zinc/29/71/41/1027297141.db2.gz XZMUYMHQANBCGJ-UHFFFAOYSA-N 1 1 349.478 4.272 20 30 EIEDMO CC1CC[NH+]([C@H](CNCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000520202460 1027309784 /nfs/dbraw/zinc/30/97/84/1027309784.db2.gz IWBXNKNFAMNPJI-JOCHJYFZSA-N 1 1 333.479 4.121 20 30 EIEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225204 1027342298 /nfs/dbraw/zinc/34/22/98/1027342298.db2.gz VEYWIWSLMITTPR-INIZCTEOSA-N 1 1 338.348 4.108 20 30 EIEDMO COCc1nc(C[NH2+]Cc2ccc(C#N)cc2)c(-c2ccccc2)s1 ZINC000441333559 1027469349 /nfs/dbraw/zinc/46/93/49/1027469349.db2.gz ULSJFIDDZFPCLM-UHFFFAOYSA-N 1 1 349.459 4.118 20 30 EIEDMO Fc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc(F)c1F ZINC000237695563 1027478828 /nfs/dbraw/zinc/47/88/28/1027478828.db2.gz QYTFSQITRSYQEJ-UHFFFAOYSA-N 1 1 343.270 4.264 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000544039515 1027580235 /nfs/dbraw/zinc/58/02/35/1027580235.db2.gz KTXHGKLHQAQBOO-UIFIKXQLSA-N 1 1 348.494 4.474 20 30 EIEDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c(OC)c1 ZINC000329147750 1027611099 /nfs/dbraw/zinc/61/10/99/1027611099.db2.gz PDYAQLLYHIWLGQ-LSDHHAIUSA-N 1 1 346.471 4.192 20 30 EIEDMO Fc1cc2cc(C[NH+]3CCC(S)CC3)c(Cl)nc2cc1F ZINC001142044341 1027668315 /nfs/dbraw/zinc/66/83/15/1027668315.db2.gz BBZWRXKHKQPENR-UHFFFAOYSA-N 1 1 328.815 4.061 20 30 EIEDMO CCOc1cc2c(cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C)O[C@H](C)C2 ZINC000329252427 1027675403 /nfs/dbraw/zinc/67/54/03/1027675403.db2.gz VLMOPRPGQSWOLY-ZBFHGGJFSA-N 1 1 346.471 4.261 20 30 EIEDMO C[C@@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCCCCC1 ZINC000329268093 1027683203 /nfs/dbraw/zinc/68/32/03/1027683203.db2.gz GIULDMGSKPYGMR-ZDUSSCGKSA-N 1 1 330.457 4.058 20 30 EIEDMO C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000609963942 1027685478 /nfs/dbraw/zinc/68/54/78/1027685478.db2.gz KQPVMWZTFWSRSO-OLZOCXBDSA-N 1 1 325.378 4.109 20 30 EIEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000161895567 1027754508 /nfs/dbraw/zinc/75/45/08/1027754508.db2.gz FOLANLOSIKDIRC-INIZCTEOSA-N 1 1 337.423 4.041 20 30 EIEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000161895567 1027754526 /nfs/dbraw/zinc/75/45/26/1027754526.db2.gz FOLANLOSIKDIRC-INIZCTEOSA-N 1 1 337.423 4.041 20 30 EIEDMO C=CCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1OC ZINC000116374625 1027845462 /nfs/dbraw/zinc/84/54/62/1027845462.db2.gz QUXNNVJCFWSMMP-UHFFFAOYSA-N 1 1 344.480 4.276 20 30 EIEDMO COc1ccc(OC)c(C[N@@H+](CCCCC(C)(C)C#N)C2CC2)c1 ZINC000444584020 1027883268 /nfs/dbraw/zinc/88/32/68/1027883268.db2.gz RFVGELGULAVCDY-UHFFFAOYSA-N 1 1 330.472 4.388 20 30 EIEDMO Cc1csc(C2([NH2+][C@@H](C)C(=O)NC3CCC(C)CC3)CCC2)n1 ZINC000329620261 1027890460 /nfs/dbraw/zinc/89/04/60/1027890460.db2.gz RCWTYBUNPBAJHC-BLZCZZARSA-N 1 1 335.517 4.344 20 30 EIEDMO CCc1ccc(C[NH+]2CCN(CCCCC(C)(C)C#N)CC2)s1 ZINC000444636361 1027895658 /nfs/dbraw/zinc/89/56/58/1027895658.db2.gz GJSUVJZBMZQALS-UHFFFAOYSA-N 1 1 333.545 4.148 20 30 EIEDMO CC1CCC([N@H+](Cc2ccc(F)cc2C#N)C[C@H]2CCCO2)CC1 ZINC000441440892 1027961118 /nfs/dbraw/zinc/96/11/18/1027961118.db2.gz AHUHOUQUHXIRAY-RGKRWLCDSA-N 1 1 330.447 4.257 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCC[C@H]1C ZINC000444683086 1027966892 /nfs/dbraw/zinc/96/68/92/1027966892.db2.gz WULBGIWDVUWDOQ-WBMJQRKESA-N 1 1 333.501 4.076 20 30 EIEDMO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000536337684 1028033360 /nfs/dbraw/zinc/03/33/60/1028033360.db2.gz FTFNUKKHZVCILQ-CVEARBPZSA-N 1 1 347.249 4.117 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000536337684 1028033377 /nfs/dbraw/zinc/03/33/77/1028033377.db2.gz FTFNUKKHZVCILQ-CVEARBPZSA-N 1 1 347.249 4.117 20 30 EIEDMO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)o2)cs1 ZINC000343061061 1028036194 /nfs/dbraw/zinc/03/61/94/1028036194.db2.gz CMTSUWDZENRANR-UHFFFAOYSA-N 1 1 327.384 4.012 20 30 EIEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769988 1028051140 /nfs/dbraw/zinc/05/11/40/1028051140.db2.gz BMVFFXGMCZDPBZ-UHFFFAOYSA-N 1 1 344.890 4.054 20 30 EIEDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC#Cc1ccccc1Cl ZINC001167654009 1028051923 /nfs/dbraw/zinc/05/19/23/1028051923.db2.gz VNEDYHNXYOQBLA-LJQANCHMSA-N 1 1 338.882 4.422 20 30 EIEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC#Cc1ccccc1Cl ZINC001167654009 1028051947 /nfs/dbraw/zinc/05/19/47/1028051947.db2.gz VNEDYHNXYOQBLA-LJQANCHMSA-N 1 1 338.882 4.422 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc2ccccc2s1 ZINC000583146810 1028084506 /nfs/dbraw/zinc/08/45/06/1028084506.db2.gz FYYKBXQAPPQCMJ-UHFFFAOYSA-N 1 1 336.460 4.422 20 30 EIEDMO CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2O1 ZINC000330227559 1028234291 /nfs/dbraw/zinc/23/42/91/1028234291.db2.gz PHVRTNPXFJUKPU-HNNXBMFYSA-N 1 1 330.428 4.189 20 30 EIEDMO CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2O1 ZINC000330227559 1028234310 /nfs/dbraw/zinc/23/43/10/1028234310.db2.gz PHVRTNPXFJUKPU-HNNXBMFYSA-N 1 1 330.428 4.189 20 30 EIEDMO O=C(Nc1csc(-c2ccncc2)n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330289000 1028247724 /nfs/dbraw/zinc/24/77/24/1028247724.db2.gz DLZWKUOSYVNNFV-HNNXBMFYSA-N 1 1 342.468 4.200 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000346099119 1028256946 /nfs/dbraw/zinc/25/69/46/1028256946.db2.gz MPLPRFFUTMTKQP-SFHVURJKSA-N 1 1 334.891 4.184 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000191507679 1028324950 /nfs/dbraw/zinc/32/49/50/1028324950.db2.gz NQXTZHBEKRACJW-QGZVFWFLSA-N 1 1 343.515 4.344 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000346348706 1028380737 /nfs/dbraw/zinc/38/07/37/1028380737.db2.gz PKDZPXYVSNDTCZ-UHFFFAOYSA-N 1 1 345.830 4.044 20 30 EIEDMO COCC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1ccccc1 ZINC000346749137 1028636867 /nfs/dbraw/zinc/63/68/67/1028636867.db2.gz IRQACVZAKCELRK-QGZVFWFLSA-N 1 1 333.435 4.021 20 30 EIEDMO COCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1ccccc1 ZINC000346749137 1028636874 /nfs/dbraw/zinc/63/68/74/1028636874.db2.gz IRQACVZAKCELRK-QGZVFWFLSA-N 1 1 333.435 4.021 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281513296 1028671788 /nfs/dbraw/zinc/67/17/88/1028671788.db2.gz XMUQCJYBAPFEPO-YZGWKJHDSA-N 1 1 343.515 4.036 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1C ZINC000444035870 1028751557 /nfs/dbraw/zinc/75/15/57/1028751557.db2.gz BJYLSFQWVFUKBZ-HKUYNNGSSA-N 1 1 341.499 4.061 20 30 EIEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444056931 1028772936 /nfs/dbraw/zinc/77/29/36/1028772936.db2.gz KLDYLVYUIQRSMW-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000346956235 1028829450 /nfs/dbraw/zinc/82/94/50/1028829450.db2.gz DXQJMMLZCCNRCO-SFHVURJKSA-N 1 1 337.423 4.097 20 30 EIEDMO C[N@H+](CC1(C#N)CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000343312867 1028903182 /nfs/dbraw/zinc/90/31/82/1028903182.db2.gz DQKKWOHXDREDLG-CYBMUJFWSA-N 1 1 337.286 4.222 20 30 EIEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000343312867 1028903198 /nfs/dbraw/zinc/90/31/98/1028903198.db2.gz DQKKWOHXDREDLG-CYBMUJFWSA-N 1 1 337.286 4.222 20 30 EIEDMO C[C@@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000522836487 1028987161 /nfs/dbraw/zinc/98/71/61/1028987161.db2.gz BXDWFGHRUCANJP-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000522836487 1028987181 /nfs/dbraw/zinc/98/71/81/1028987181.db2.gz BXDWFGHRUCANJP-LIRRHRJNSA-N 1 1 326.440 4.376 20 30 EIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000524811329 1029235901 /nfs/dbraw/zinc/23/59/01/1029235901.db2.gz HLHCDIFSPAMELY-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000524811329 1029235913 /nfs/dbraw/zinc/23/59/13/1029235913.db2.gz HLHCDIFSPAMELY-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO Cc1ccnc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1C#N ZINC000343515575 1029412732 /nfs/dbraw/zinc/41/27/32/1029412732.db2.gz QIIIIAYNRROLTN-UHFFFAOYSA-N 1 1 346.434 4.099 20 30 EIEDMO CC#CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000525108816 1029444673 /nfs/dbraw/zinc/44/46/73/1029444673.db2.gz VCBNGMBZHBBTAB-UHFFFAOYSA-N 1 1 333.435 4.020 20 30 EIEDMO CC#CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000525108816 1029444679 /nfs/dbraw/zinc/44/46/79/1029444679.db2.gz VCBNGMBZHBBTAB-UHFFFAOYSA-N 1 1 333.435 4.020 20 30 EIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428447049 1029456312 /nfs/dbraw/zinc/45/63/12/1029456312.db2.gz LFSNABQRZBPGOQ-PXNSSMCTSA-N 1 1 342.389 4.189 20 30 EIEDMO N#Cc1c(C[N@H+](CCc2ccc(F)cc2)C2CC2)cn2ccccc12 ZINC000609744373 1029462832 /nfs/dbraw/zinc/46/28/32/1029462832.db2.gz FWIRUGLVCQTDPS-UHFFFAOYSA-N 1 1 333.410 4.157 20 30 EIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186306693 1029512691 /nfs/dbraw/zinc/51/26/91/1029512691.db2.gz YXCAFLATBJVJSO-QGZVFWFLSA-N 1 1 325.481 4.395 20 30 EIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000584012655 1029516693 /nfs/dbraw/zinc/51/66/93/1029516693.db2.gz YFXLWLFAPVGOHE-TZMCWYRMSA-N 1 1 342.443 4.352 20 30 EIEDMO CC1(c2nc3ccccc3s2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000367137413 1029622184 /nfs/dbraw/zinc/62/21/84/1029622184.db2.gz IFIUKZOVXSASEY-HNNXBMFYSA-N 1 1 338.480 4.093 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000525410893 1029624052 /nfs/dbraw/zinc/62/40/52/1029624052.db2.gz OUXQZBFDCYLRKV-IBGZPJMESA-N 1 1 336.435 4.091 20 30 EIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329681219 1029635765 /nfs/dbraw/zinc/63/57/65/1029635765.db2.gz YEHAJTDTYQUHFK-TZMCWYRMSA-N 1 1 343.496 4.207 20 30 EIEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000467267444 1030053261 /nfs/dbraw/zinc/05/32/61/1030053261.db2.gz GDRYIWDQBJOGCT-QGZVFWFLSA-N 1 1 339.401 4.196 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186448012 1030274021 /nfs/dbraw/zinc/27/40/21/1030274021.db2.gz AODHHFFSVHKSKL-QFIPXVFZSA-N 1 1 348.446 4.001 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178823 1030285175 /nfs/dbraw/zinc/28/51/75/1030285175.db2.gz BCTMAIQTRXFACZ-UWVAXJGDSA-N 1 1 347.462 4.153 20 30 EIEDMO CC[N@@H+](Cc1cnc2ccc(Cl)cn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606182 1030318876 /nfs/dbraw/zinc/31/88/76/1030318876.db2.gz UXFNGALUGSSTOI-AWEZNQCLSA-N 1 1 338.842 4.442 20 30 EIEDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000611942212 1030429317 /nfs/dbraw/zinc/42/93/17/1030429317.db2.gz ZPXIKKVDSBAZQX-GFCCVEGCSA-N 1 1 344.256 4.129 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000530500152 1030482931 /nfs/dbraw/zinc/48/29/31/1030482931.db2.gz GYUHSCQCTHIXMU-KRWDZBQOSA-N 1 1 343.515 4.390 20 30 EIEDMO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000530699450 1030658810 /nfs/dbraw/zinc/65/88/10/1030658810.db2.gz WZPHZIABOXJVGL-UHFFFAOYSA-N 1 1 332.369 4.363 20 30 EIEDMO CC(C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000530699450 1030658815 /nfs/dbraw/zinc/65/88/15/1030658815.db2.gz WZPHZIABOXJVGL-UHFFFAOYSA-N 1 1 332.369 4.363 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452004159 1030818692 /nfs/dbraw/zinc/81/86/92/1030818692.db2.gz HHVXECMDOKMFGX-LSDHHAIUSA-N 1 1 345.512 4.282 20 30 EIEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000612065129 1030843332 /nfs/dbraw/zinc/84/33/32/1030843332.db2.gz HKDISAWOLXLFLT-FCHUYYIVSA-N 1 1 334.463 4.352 20 30 EIEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ncccc2F)ccc1OC ZINC000527825845 1030868203 /nfs/dbraw/zinc/86/82/03/1030868203.db2.gz DMHJEZLADPAGJD-AWEZNQCLSA-N 1 1 330.403 4.035 20 30 EIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1Br ZINC000179329117 1030913247 /nfs/dbraw/zinc/91/32/47/1030913247.db2.gz ZMOIYUUTPXSMSS-UHFFFAOYSA-N 1 1 347.231 4.485 20 30 EIEDMO CCC(C#N)(CC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000527972237 1030983244 /nfs/dbraw/zinc/98/32/44/1030983244.db2.gz JUVVJOKLRLHCEQ-KRWDZBQOSA-N 1 1 341.499 4.007 20 30 EIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000170984234 1031152317 /nfs/dbraw/zinc/15/23/17/1031152317.db2.gz TWBRKKAOPVSYDO-INIZCTEOSA-N 1 1 347.528 4.386 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000167038284 1031251874 /nfs/dbraw/zinc/25/18/74/1031251874.db2.gz ZZWBTEZHNXCDDO-ZDUSSCGKSA-N 1 1 347.378 4.134 20 30 EIEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000364334084 1031264187 /nfs/dbraw/zinc/26/41/87/1031264187.db2.gz DNLGMKMMBKAOBE-LEWJYISDSA-N 1 1 349.478 4.022 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1Br ZINC000120106769 1031320952 /nfs/dbraw/zinc/32/09/52/1031320952.db2.gz SSLSLJBPPNXPCK-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1Br ZINC000120107051 1031329412 /nfs/dbraw/zinc/32/94/12/1031329412.db2.gz PFYBELYETPQXSL-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000113313304 1031360091 /nfs/dbraw/zinc/36/00/91/1031360091.db2.gz REOAXXBVXYQDRN-HSZRJFAPSA-N 1 1 342.442 4.363 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC001168223376 1031366419 /nfs/dbraw/zinc/36/64/19/1031366419.db2.gz YNZUPGROFZURGE-UHFFFAOYSA-N 1 1 347.418 4.373 20 30 EIEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC001168223376 1031366439 /nfs/dbraw/zinc/36/64/39/1031366439.db2.gz YNZUPGROFZURGE-UHFFFAOYSA-N 1 1 347.418 4.373 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC3CCC(C)(C#N)CC3)c2)C[C@H](C)O1 ZINC000449056551 1031412491 /nfs/dbraw/zinc/41/24/91/1031412491.db2.gz QIFIXJVIEQQDNH-OSHAMATESA-N 1 1 341.499 4.180 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000610132694 1031425737 /nfs/dbraw/zinc/42/57/37/1031425737.db2.gz ZQTYAUOJEABLCQ-KRWDZBQOSA-N 1 1 338.451 4.256 20 30 EIEDMO N#CC1(CCCC[NH+]2CCN(c3ccc(F)cc3Cl)CC2)CCC1 ZINC001168244283 1031437082 /nfs/dbraw/zinc/43/70/82/1031437082.db2.gz LWBCVECZVYIDDS-UHFFFAOYSA-N 1 1 349.881 4.465 20 30 EIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C#N)CC2)o1 ZINC000123691753 1031476356 /nfs/dbraw/zinc/47/63/56/1031476356.db2.gz JAKFUQDKIOKEMV-UHFFFAOYSA-N 1 1 346.434 4.176 20 30 EIEDMO CC1=C(c2ccco2)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000548927110 1031483738 /nfs/dbraw/zinc/48/37/38/1031483738.db2.gz FRPKQMPNZBJAOU-UHFFFAOYSA-N 1 1 344.361 4.432 20 30 EIEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000548927110 1031483753 /nfs/dbraw/zinc/48/37/53/1031483753.db2.gz FRPKQMPNZBJAOU-UHFFFAOYSA-N 1 1 344.361 4.432 20 30 EIEDMO N#Cc1cccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)CC2)c1 ZINC000449201164 1031543451 /nfs/dbraw/zinc/54/34/51/1031543451.db2.gz IDCPQLQSEQSEBL-HNNXBMFYSA-N 1 1 328.337 4.242 20 30 EIEDMO Fc1ccc(C#CC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548935635 1031587123 /nfs/dbraw/zinc/58/71/23/1031587123.db2.gz QHKSDJIKDOUZJK-INIZCTEOSA-N 1 1 325.349 4.232 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548935635 1031587126 /nfs/dbraw/zinc/58/71/26/1031587126.db2.gz QHKSDJIKDOUZJK-INIZCTEOSA-N 1 1 325.349 4.232 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1Cl ZINC000065959798 1031622450 /nfs/dbraw/zinc/62/24/50/1031622450.db2.gz ILYLZSKSCYHQOX-UHFFFAOYSA-N 1 1 328.843 4.009 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1Cl ZINC000065959798 1031622460 /nfs/dbraw/zinc/62/24/60/1031622460.db2.gz ILYLZSKSCYHQOX-UHFFFAOYSA-N 1 1 328.843 4.009 20 30 EIEDMO Cn1cc(C[N@@H+](C)CCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179933465 1031653032 /nfs/dbraw/zinc/65/30/32/1031653032.db2.gz HUGPPZPMOUSMOE-UHFFFAOYSA-N 1 1 344.462 4.023 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000365409984 1031660341 /nfs/dbraw/zinc/66/03/41/1031660341.db2.gz LFDGNMUUHRMDCW-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000508664955 1031812438 /nfs/dbraw/zinc/81/24/38/1031812438.db2.gz KQWMJAYVDQMUEE-VQIMIIECSA-N 1 1 341.499 4.061 20 30 EIEDMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc(C)ccc1C ZINC000528803483 1031860833 /nfs/dbraw/zinc/86/08/33/1031860833.db2.gz YSRFFLUQECZHCP-IBGZPJMESA-N 1 1 346.434 4.466 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000532013950 1031975386 /nfs/dbraw/zinc/97/53/86/1031975386.db2.gz RKZLBLBCKVJUJC-QFIPXVFZSA-N 1 1 334.463 4.235 20 30 EIEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccs1 ZINC000432952388 1033486529 /nfs/dbraw/zinc/48/65/29/1033486529.db2.gz WWMKOZBBNFLREZ-UHFFFAOYSA-N 1 1 336.407 4.043 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)cc1F ZINC000512625332 1033540844 /nfs/dbraw/zinc/54/08/44/1033540844.db2.gz NKSSDRMGWWAATN-AWEZNQCLSA-N 1 1 339.414 4.265 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614163960 1033543984 /nfs/dbraw/zinc/54/39/84/1033543984.db2.gz VGIHNJSFUFLNFA-UHFFFAOYSA-N 1 1 347.462 4.008 20 30 EIEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000614168845 1033556975 /nfs/dbraw/zinc/55/69/75/1033556975.db2.gz XLAPPNNNVDASPX-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000614168845 1033556976 /nfs/dbraw/zinc/55/69/76/1033556976.db2.gz XLAPPNNNVDASPX-UWJYYQICSA-N 1 1 334.463 4.450 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000614179138 1033589389 /nfs/dbraw/zinc/58/93/89/1033589389.db2.gz FQCXVXMOYKOWMH-JOCHJYFZSA-N 1 1 347.506 4.414 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000614182260 1033629978 /nfs/dbraw/zinc/62/99/78/1033629978.db2.gz JTQBKTSRPWXRAP-LJQANCHMSA-N 1 1 334.463 4.389 20 30 EIEDMO N#CC1(CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CCCCC1 ZINC000411716920 1034051014 /nfs/dbraw/zinc/05/10/14/1034051014.db2.gz HPRDXJXEAOIWQW-NJDAHSKKSA-N 1 1 338.495 4.355 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614403098 1034550703 /nfs/dbraw/zinc/55/07/03/1034550703.db2.gz CKYAFBCYKLZPRR-FQEVSTJZSA-N 1 1 344.462 4.189 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000729316533 1034780273 /nfs/dbraw/zinc/78/02/73/1034780273.db2.gz LRCVRALZUSZZNE-RTWAWAEBSA-N 1 1 347.462 4.155 20 30 EIEDMO COc1ccc(-c2cc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000614479713 1034859307 /nfs/dbraw/zinc/85/93/07/1034859307.db2.gz NXKZPWYTSLNICN-OAHLLOKOSA-N 1 1 347.418 4.415 20 30 EIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430019071 1035012156 /nfs/dbraw/zinc/01/21/56/1035012156.db2.gz GHLUXLGRMWHHGR-UHFFFAOYSA-N 1 1 348.918 4.259 20 30 EIEDMO N#Cc1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c(Cl)c1 ZINC000513618012 1035060069 /nfs/dbraw/zinc/06/00/69/1035060069.db2.gz CNTSBZCWUCMWRR-UHFFFAOYSA-N 1 1 337.814 4.426 20 30 EIEDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000280216317 1035201240 /nfs/dbraw/zinc/20/12/40/1035201240.db2.gz KSKAFTVPIPNMQU-UHFFFAOYSA-N 1 1 348.425 4.193 20 30 EIEDMO C=CCCSCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000595059179 1035536868 /nfs/dbraw/zinc/53/68/68/1035536868.db2.gz MCGBWZSIJMSFOO-QGZVFWFLSA-N 1 1 335.904 4.062 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342642 1035637242 /nfs/dbraw/zinc/63/72/42/1035637242.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 1 1 347.506 4.086 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(F)c3OC(F)F)CC2)c1 ZINC000595416668 1035673187 /nfs/dbraw/zinc/67/31/87/1035673187.db2.gz IRNVAJZBCXOTJH-UHFFFAOYSA-N 1 1 332.325 4.078 20 30 EIEDMO CC1CC[NH+](c2ccc(NCc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000158266528 1035722280 /nfs/dbraw/zinc/72/22/80/1035722280.db2.gz FZTITGXSXKIULW-UHFFFAOYSA-N 1 1 345.450 4.054 20 30 EIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000595618273 1035735260 /nfs/dbraw/zinc/73/52/60/1035735260.db2.gz 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CCCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCc2ncsc2C1 ZINC000592529740 1037825973 /nfs/dbraw/zinc/82/59/73/1037825973.db2.gz OTMCGCOXZCHKAQ-CQSZACIVSA-N 1 1 331.510 4.236 20 30 EIEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000605737478 1037857683 /nfs/dbraw/zinc/85/76/83/1037857683.db2.gz DWQBUYKGKWDRSD-UHFFFAOYSA-N 1 1 334.769 4.195 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000150769845 1038055911 /nfs/dbraw/zinc/05/59/11/1038055911.db2.gz BVZMFOZLRLZTRO-CALCHBBNSA-N 1 1 342.483 4.003 20 30 EIEDMO C=CCC(CC=C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000150769845 1038055936 /nfs/dbraw/zinc/05/59/36/1038055936.db2.gz BVZMFOZLRLZTRO-CALCHBBNSA-N 1 1 342.483 4.003 20 30 EIEDMO COc1cccc2c1CC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000489536885 1038098896 /nfs/dbraw/zinc/09/88/96/1038098896.db2.gz YGVDEWXTIRSKOJ-UHFFFAOYSA-N 1 1 334.463 4.097 20 30 EIEDMO C=C(C)COc1cc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)ccc1OC ZINC000594053257 1038242297 /nfs/dbraw/zinc/24/22/97/1038242297.db2.gz RFKILGWLAXYJLC-QZTJIDSGSA-N 1 1 346.515 4.003 20 30 EIEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031433 1038308995 /nfs/dbraw/zinc/30/89/95/1038308995.db2.gz IXIJANOCKPOKRY-QGZVFWFLSA-N 1 1 329.488 4.364 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000490037944 1038311862 /nfs/dbraw/zinc/31/18/62/1038311862.db2.gz SSMLLSRYVHUFGQ-SFHVURJKSA-N 1 1 332.806 4.170 20 30 EIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000592755774 1038336766 /nfs/dbraw/zinc/33/67/66/1038336766.db2.gz YCLIBTCEEXWGOZ-HXUWFJFHSA-N 1 1 349.434 4.082 20 30 EIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000592755774 1038336782 /nfs/dbraw/zinc/33/67/82/1038336782.db2.gz YCLIBTCEEXWGOZ-HXUWFJFHSA-N 1 1 349.434 4.082 20 30 EIEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594735405 1038396329 /nfs/dbraw/zinc/39/63/29/1038396329.db2.gz NUBSHBKTCXXVBE-UHFFFAOYSA-N 1 1 335.451 4.218 20 30 EIEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1 ZINC000059375167 1038499306 /nfs/dbraw/zinc/49/93/06/1038499306.db2.gz KDVSXOSINJPSAI-UHFFFAOYSA-N 1 1 339.464 4.419 20 30 EIEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2)nn1 ZINC000424290430 1038768736 /nfs/dbraw/zinc/76/87/36/1038768736.db2.gz BTHTVHFQLQMFIW-OAHLLOKOSA-N 1 1 325.243 4.012 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2)nn1 ZINC000424290428 1038770054 /nfs/dbraw/zinc/77/00/54/1038770054.db2.gz BTHTVHFQLQMFIW-HNNXBMFYSA-N 1 1 325.243 4.012 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2cccc(C(F)(F)F)c2)nn1 ZINC000424293164 1038771329 /nfs/dbraw/zinc/77/13/29/1038771329.db2.gz IFDDSDDKAUEDDY-INIZCTEOSA-N 1 1 338.377 4.114 20 30 EIEDMO C=CCn1cc(C[NH2+][C@@H](Cc2ccc(C)cc2)c2ccc(C)cc2)nn1 ZINC000424295543 1038771584 /nfs/dbraw/zinc/77/15/84/1038771584.db2.gz MXSWHPJMNIPKPN-QFIPXVFZSA-N 1 1 346.478 4.155 20 30 EIEDMO Cc1ccc2c(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)cc(=O)oc2c1 ZINC000063751186 1038806015 /nfs/dbraw/zinc/80/60/15/1038806015.db2.gz KIBDRGVGBODQLX-UHFFFAOYSA-N 1 1 346.430 4.384 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000424336761 1038810971 /nfs/dbraw/zinc/81/09/71/1038810971.db2.gz YOFIFHZATUQDKQ-XGWLTEMNSA-N 1 1 345.240 4.413 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000042183264 1038866733 /nfs/dbraw/zinc/86/67/33/1038866733.db2.gz MHEXKGCNVABOBC-NRFANRHFSA-N 1 1 341.414 4.028 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000608780285 1038896919 /nfs/dbraw/zinc/89/69/19/1038896919.db2.gz VZQPAIRVRRODGD-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505052890 1038951739 /nfs/dbraw/zinc/95/17/39/1038951739.db2.gz ZNZZWYXTEQAUIO-FQEVSTJZSA-N 1 1 349.478 4.201 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000174475117 1038962872 /nfs/dbraw/zinc/96/28/72/1038962872.db2.gz DYSYSKBXSXXAAT-UHFFFAOYSA-N 1 1 332.403 4.034 20 30 EIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cnn(C3CCC3)c2)c2ccccn21 ZINC000899408294 1039101260 /nfs/dbraw/zinc/10/12/60/1039101260.db2.gz XVAGGYOTLUCEAB-KTKRTIGZSA-N 1 1 334.423 4.275 20 30 EIEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000090665448 1039268918 /nfs/dbraw/zinc/26/89/18/1039268918.db2.gz SSNNGTBONAVQLL-COPCDDAFSA-N 1 1 333.479 4.457 20 30 EIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000090665448 1039268952 /nfs/dbraw/zinc/26/89/52/1039268952.db2.gz SSNNGTBONAVQLL-COPCDDAFSA-N 1 1 333.479 4.457 20 30 EIEDMO N#Cc1ccccc1COc1cccc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000600179359 1039356571 /nfs/dbraw/zinc/35/65/71/1039356571.db2.gz NRYOMGDAJGNAIC-UHFFFAOYSA-N 1 1 343.430 4.261 20 30 EIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1cccc(C#N)c1 ZINC000092504340 1039558997 /nfs/dbraw/zinc/55/89/97/1039558997.db2.gz PAAOZRPNUXLQII-UHFFFAOYSA-N 1 1 334.448 4.198 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000481612574 1039622495 /nfs/dbraw/zinc/62/24/95/1039622495.db2.gz MVNDBASLEOCOMO-KPZWWZAWSA-N 1 1 348.368 4.338 20 30 EIEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093317033 1039663687 /nfs/dbraw/zinc/66/36/87/1039663687.db2.gz RROBJQMOYOSHPH-LJQANCHMSA-N 1 1 330.472 4.150 20 30 EIEDMO CC[C@@H](C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730775 1039794700 /nfs/dbraw/zinc/79/47/00/1039794700.db2.gz DHGGJDPMMCLOEY-ROUUACIJSA-N 1 1 349.478 4.401 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000478560400 1039826481 /nfs/dbraw/zinc/82/64/81/1039826481.db2.gz LRYGVECBLDHLRS-PMACEKPBSA-N 1 1 340.511 4.102 20 30 EIEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000478560405 1039827224 /nfs/dbraw/zinc/82/72/24/1039827224.db2.gz LRYGVECBLDHLRS-WOJBJXKFSA-N 1 1 340.511 4.102 20 30 EIEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050069 1039917898 /nfs/dbraw/zinc/91/78/98/1039917898.db2.gz DGPFSUUOJHTRCP-NHCUHLMSSA-N 1 1 336.479 4.177 20 30 EIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551050069 1039917915 /nfs/dbraw/zinc/91/79/15/1039917915.db2.gz DGPFSUUOJHTRCP-NHCUHLMSSA-N 1 1 336.479 4.177 20 30 EIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000138814209 1039990426 /nfs/dbraw/zinc/99/04/26/1039990426.db2.gz YYEGWRCOHDCOIT-QGZVFWFLSA-N 1 1 349.478 4.003 20 30 EIEDMO Cc1cc(NCCCCC#N)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001168427246 1040006205 /nfs/dbraw/zinc/00/62/05/1040006205.db2.gz HMWCIZWPDGBMGK-UHFFFAOYSA-N 1 1 334.467 4.054 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159634894 1040121082 /nfs/dbraw/zinc/12/10/82/1040121082.db2.gz QAPLWASJIQQZRI-UHFFFAOYSA-N 1 1 334.548 4.339 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535353903 1040214447 /nfs/dbraw/zinc/21/44/47/1040214447.db2.gz HHGNTMFSJLWSDE-QGZVFWFLSA-N 1 1 347.462 4.379 20 30 EIEDMO C=C[C@@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000535365047 1040221483 /nfs/dbraw/zinc/22/14/83/1040221483.db2.gz ZWAHHOWGJSUHEO-MOPGFXCFSA-N 1 1 328.500 4.117 20 30 EIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801699 1040246559 /nfs/dbraw/zinc/24/65/59/1040246559.db2.gz YIVPHMANSIRVFF-KGLIPLIRSA-N 1 1 338.282 4.198 20 30 EIEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439879 1040272397 /nfs/dbraw/zinc/27/23/97/1040272397.db2.gz IXCGNLWLTCWDNB-IRLDBZIGSA-N 1 1 348.490 4.079 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551449216 1040304692 /nfs/dbraw/zinc/30/46/92/1040304692.db2.gz JUPDUQUCJOIALE-UHFFFAOYSA-N 1 1 335.442 4.197 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000482508994 1040308678 /nfs/dbraw/zinc/30/86/78/1040308678.db2.gz LFPMXVQCDXZXPQ-ZFWWWQNUSA-N 1 1 343.389 4.423 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C#N)cs1 ZINC000482515866 1040310443 /nfs/dbraw/zinc/31/04/43/1040310443.db2.gz ZBCSRYZMDFGGOD-UAGQMJEPSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000482515866 1040310461 /nfs/dbraw/zinc/31/04/61/1040310461.db2.gz ZBCSRYZMDFGGOD-UAGQMJEPSA-N 1 1 346.496 4.095 20 30 EIEDMO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000425366233 1040340505 /nfs/dbraw/zinc/34/05/05/1040340505.db2.gz OZCCIIPAHYGODD-CYBMUJFWSA-N 1 1 344.842 4.422 20 30 EIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000425366233 1040340510 /nfs/dbraw/zinc/34/05/10/1040340510.db2.gz OZCCIIPAHYGODD-CYBMUJFWSA-N 1 1 344.842 4.422 20 30 EIEDMO COc1ccc2nc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)sc2c1 ZINC000425366727 1040342117 /nfs/dbraw/zinc/34/21/17/1040342117.db2.gz QQHZMAVUFXETTE-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO COc1ccc2nc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)sc2c1 ZINC000425366727 1040342138 /nfs/dbraw/zinc/34/21/38/1040342138.db2.gz QQHZMAVUFXETTE-ZDUSSCGKSA-N 1 1 337.448 4.370 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639518 1040403325 /nfs/dbraw/zinc/40/33/25/1040403325.db2.gz GHUCYKKPRDIYNO-OAHLLOKOSA-N 1 1 336.907 4.430 20 30 EIEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(Cl)ccc1Cl ZINC000551552339 1040403908 /nfs/dbraw/zinc/40/39/08/1040403908.db2.gz LZXGFPUFDUJEMZ-NSHDSACASA-N 1 1 345.233 4.364 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)s1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000442964075 1040452190 /nfs/dbraw/zinc/45/21/90/1040452190.db2.gz NPSQIBDVIBIIMO-ZIAGYGMSSA-N 1 1 348.899 4.087 20 30 EIEDMO Cc1cccc2nc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)[nH]c21 ZINC000539520902 1040506596 /nfs/dbraw/zinc/50/65/96/1040506596.db2.gz WYQKIOOWMJXELB-UHFFFAOYSA-N 1 1 344.462 4.365 20 30 EIEDMO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000482990286 1040620534 /nfs/dbraw/zinc/62/05/34/1040620534.db2.gz SEQPIPOAKNHGPE-LBPRGKRZSA-N 1 1 349.659 4.200 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OCCCC#N ZINC000160640347 1040647041 /nfs/dbraw/zinc/64/70/41/1040647041.db2.gz STSMIKSLTVMDRE-UHFFFAOYSA-N 1 1 338.451 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339.508 4.010 20 30 EIEDMO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742032 1044344543 /nfs/dbraw/zinc/34/45/43/1044344543.db2.gz PXBMDDLWLGSMRU-MSOLQXFVSA-N 1 1 349.478 4.161 20 30 EIEDMO C=CCOCCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000348061964 1044384682 /nfs/dbraw/zinc/38/46/82/1044384682.db2.gz ZQCGEWYIXVIKDJ-UHFFFAOYSA-N 1 1 349.862 4.193 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)c1 ZINC000761764550 1044474277 /nfs/dbraw/zinc/47/42/77/1044474277.db2.gz CNHGOHGAMBHZOB-JOCHJYFZSA-N 1 1 328.415 4.285 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)c1 ZINC000761764550 1044474303 /nfs/dbraw/zinc/47/43/03/1044474303.db2.gz CNHGOHGAMBHZOB-JOCHJYFZSA-N 1 1 328.415 4.285 20 30 EIEDMO CCC(CC)C[N@@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734149362 1044495828 /nfs/dbraw/zinc/49/58/28/1044495828.db2.gz JEOWVLSTCXKJDA-OAHLLOKOSA-N 1 1 343.496 4.231 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000734159648 1044506935 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C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000495109565 1044687628 /nfs/dbraw/zinc/68/76/28/1044687628.db2.gz PTJRBSNKGSZOKQ-UHFFFAOYSA-N 1 1 337.366 4.120 20 30 EIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1 ZINC000428862535 1044754604 /nfs/dbraw/zinc/75/46/04/1044754604.db2.gz VEAVNUKOYSFBTF-LJQANCHMSA-N 1 1 349.478 4.405 20 30 EIEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC001141814402 1044793245 /nfs/dbraw/zinc/79/32/45/1044793245.db2.gz BNFRWYDUYONORK-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC001141814402 1044793261 /nfs/dbraw/zinc/79/32/61/1044793261.db2.gz BNFRWYDUYONORK-UHFFFAOYSA-N 1 1 347.231 4.482 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OCc2ccccn2)c1 ZINC000495217821 1044794046 /nfs/dbraw/zinc/79/40/46/1044794046.db2.gz LKHBOYGQQYKYSV-UHFFFAOYSA-N 1 1 348.446 4.484 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000676563925 1044796143 /nfs/dbraw/zinc/79/61/43/1044796143.db2.gz 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HCSPKZWGWBZPMZ-IHWFROFDSA-N 1 1 346.478 4.178 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)o1 ZINC000185425280 1045020395 /nfs/dbraw/zinc/02/03/95/1045020395.db2.gz BCTOJECVWAEHON-UHFFFAOYSA-N 1 1 336.366 4.159 20 30 EIEDMO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(C#N)ccc1F ZINC000022515270 1045147896 /nfs/dbraw/zinc/14/78/96/1045147896.db2.gz MFLRQKUPYFRJKP-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(C#N)ccc1F ZINC000022515270 1045147901 /nfs/dbraw/zinc/14/79/01/1045147901.db2.gz MFLRQKUPYFRJKP-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000740874387 1045236826 /nfs/dbraw/zinc/23/68/26/1045236826.db2.gz HFQIEIXSBZLDMS-MRXNPFEDSA-N 1 1 325.518 4.443 20 30 EIEDMO C[C@@H](C#N)C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000611091451 1045251844 /nfs/dbraw/zinc/25/18/44/1045251844.db2.gz CUINNFSJMZAKSX-AWEZNQCLSA-N 1 1 340.389 4.488 20 30 EIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000153556125 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C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(C#N)c1 ZINC000611387713 1045295993 /nfs/dbraw/zinc/29/59/93/1045295993.db2.gz SHHBKZIDSFTJNP-GFCCVEGCSA-N 1 1 339.345 4.342 20 30 EIEDMO C=CCCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532260 1045543250 /nfs/dbraw/zinc/54/32/50/1045543250.db2.gz WELSWFDVJVCJOL-UHFFFAOYSA-N 1 1 330.520 4.165 20 30 EIEDMO CC[N@@H+](Cc1cnc(OC)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000533558714 1045573382 /nfs/dbraw/zinc/57/33/82/1045573382.db2.gz ORFARYNVZVDMDG-CYBMUJFWSA-N 1 1 329.831 4.198 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cn3ccc(-c4ccccc4)n3)CC2)cc1 ZINC000767988855 1045693178 /nfs/dbraw/zinc/69/31/78/1045693178.db2.gz ZSEIDSPWFJAQSJ-UHFFFAOYSA-N 1 1 340.430 4.169 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cn3ccc(-c4ccccc4)n3)CC2)cc1 ZINC000767988855 1045693190 /nfs/dbraw/zinc/69/31/90/1045693190.db2.gz ZSEIDSPWFJAQSJ-UHFFFAOYSA-N 1 1 340.430 4.169 20 30 EIEDMO N#CCCCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068859980 1045755396 /nfs/dbraw/zinc/75/53/96/1045755396.db2.gz MXVREEWZUKAKBO-UHFFFAOYSA-N 1 1 348.450 4.383 20 30 EIEDMO C#CCCCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000780643665 1045778615 /nfs/dbraw/zinc/77/86/15/1045778615.db2.gz GVZUWYUZWISHQT-IBGZPJMESA-N 1 1 332.532 4.073 20 30 EIEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768519680 1045814431 /nfs/dbraw/zinc/81/44/31/1045814431.db2.gz VTDHTODISHHUGF-GGPKGHCWSA-N 1 1 349.478 4.300 20 30 EIEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000769105612 1045880750 /nfs/dbraw/zinc/88/07/50/1045880750.db2.gz NSKPCSKIROMUPZ-GCJKJVERSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000769105612 1045880745 /nfs/dbraw/zinc/88/07/45/1045880745.db2.gz NSKPCSKIROMUPZ-GCJKJVERSA-N 1 1 335.447 4.051 20 30 EIEDMO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769210699 1045893313 /nfs/dbraw/zinc/89/33/13/1045893313.db2.gz IJKSQIKWXOSMQG-FYYLOGMGSA-N 1 1 349.474 4.298 20 30 EIEDMO C=CCc1cc(C[N@H+](CCC)Cc2ccccc2O)cc(OC)c1O ZINC000769201373 1045894372 /nfs/dbraw/zinc/89/43/72/1045894372.db2.gz SLPLSKGXYKCYNU-UHFFFAOYSA-N 1 1 341.451 4.247 20 30 EIEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1c(F)cccc1F ZINC000769298324 1045912429 /nfs/dbraw/zinc/91/24/29/1045912429.db2.gz ISRDMXZCLPIWQX-UHFFFAOYSA-N 1 1 343.421 4.337 20 30 EIEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1c(F)cccc1F ZINC000769298324 1045912441 /nfs/dbraw/zinc/91/24/41/1045912441.db2.gz ISRDMXZCLPIWQX-UHFFFAOYSA-N 1 1 343.421 4.337 20 30 EIEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769319162 1045919786 /nfs/dbraw/zinc/91/97/86/1045919786.db2.gz TYGXYNUJIVCXEL-WIYYLYMNSA-N 1 1 334.463 4.493 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315176 1045921264 /nfs/dbraw/zinc/92/12/64/1045921264.db2.gz GSBAUBFGKUBCML-QFIPXVFZSA-N 1 1 349.478 4.000 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCC1 ZINC000077357048 1045941446 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COc1ccsc1C(=O)/C=C\c1[nH+]c(C(C)C)n2ccccc12 ZINC000769744617 1046066222 /nfs/dbraw/zinc/06/62/22/1046066222.db2.gz NOCSWCIYCZLRNR-FPLPWBNLSA-N 1 1 326.421 4.424 20 30 EIEDMO C[C@]12CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000792897990 1046098598 /nfs/dbraw/zinc/09/85/98/1046098598.db2.gz HFFWRIONVSUSEV-CABCVRRESA-N 1 1 328.670 4.207 20 30 EIEDMO C[C@]12CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000792897990 1046098611 /nfs/dbraw/zinc/09/86/11/1046098611.db2.gz HFFWRIONVSUSEV-CABCVRRESA-N 1 1 328.670 4.207 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000324954963 1046100090 /nfs/dbraw/zinc/10/00/90/1046100090.db2.gz CMRONYMJKIWVJD-AWEZNQCLSA-N 1 1 341.842 4.233 20 30 EIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3cccc(F)c3)o2)CCCC1(C)C ZINC000769952199 1046108004 /nfs/dbraw/zinc/10/80/04/1046108004.db2.gz AQQQFBTVYYWMPL-INIZCTEOSA-N 1 1 329.419 4.442 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406252 1046134192 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C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000080230796 1047819056 /nfs/dbraw/zinc/81/90/56/1047819056.db2.gz UKZNUFVRBQHCID-GXTWGEPZSA-N 1 1 346.887 4.133 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000556599882 1047838007 /nfs/dbraw/zinc/83/80/07/1047838007.db2.gz AXYAUPWNFNGJHB-UHFFFAOYSA-N 1 1 336.483 4.304 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716170 1047910058 /nfs/dbraw/zinc/91/00/58/1047910058.db2.gz SRCMMLZMPDJHSA-NFAWXSAZSA-N 1 1 326.362 4.140 20 30 EIEDMO C=CCC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868743 1048086025 /nfs/dbraw/zinc/08/60/25/1048086025.db2.gz BUKMYIMUGZZKQG-SFTDATJTSA-N 1 1 338.495 4.441 20 30 EIEDMO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000556884375 1048098842 /nfs/dbraw/zinc/09/88/42/1048098842.db2.gz CAIMAIVIPKIVBM-RJGXRXQPSA-N 1 1 345.490 4.188 20 30 EIEDMO C[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000556884375 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342.508 4.045 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000499055612 1048136320 /nfs/dbraw/zinc/13/63/20/1048136320.db2.gz NRRKXGHGTRXUNI-MRXNPFEDSA-N 1 1 334.529 4.306 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000499055612 1048136331 /nfs/dbraw/zinc/13/63/31/1048136331.db2.gz NRRKXGHGTRXUNI-MRXNPFEDSA-N 1 1 334.529 4.306 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000919935246 1048317393 /nfs/dbraw/zinc/31/73/93/1048317393.db2.gz CWZOQHBAWWEOIE-UHFFFAOYSA-N 1 1 341.451 4.030 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141152 1048341320 /nfs/dbraw/zinc/34/13/20/1048341320.db2.gz ZHNGJIZRQIZRED-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141152 1048341334 /nfs/dbraw/zinc/34/13/34/1048341334.db2.gz ZHNGJIZRQIZRED-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141152 1048341351 /nfs/dbraw/zinc/34/13/51/1048341351.db2.gz ZHNGJIZRQIZRED-LUGPXAIHSA-N 1 1 345.490 4.404 20 30 EIEDMO Cc1cnc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1C#N ZINC001170586950 1048527853 /nfs/dbraw/zinc/52/78/53/1048527853.db2.gz ZEOXEOZUOPLKHQ-INIZCTEOSA-N 1 1 349.265 4.283 20 30 EIEDMO C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000844926407 1048548029 /nfs/dbraw/zinc/54/80/29/1048548029.db2.gz ZRDJWIREGGHTKB-CQSZACIVSA-N 1 1 348.849 4.267 20 30 EIEDMO C[NH+](C)[C@H](CNc1cncc(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170589995 1048566050 /nfs/dbraw/zinc/56/60/50/1048566050.db2.gz RQASGMZLWNSLFO-QGZVFWFLSA-N 1 1 349.265 4.169 20 30 EIEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170592073 1048587075 /nfs/dbraw/zinc/58/70/75/1048587075.db2.gz GWINWEMFXRJCOE-PKOBYXMFSA-N 1 1 348.535 4.149 20 30 EIEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170592072 1048587909 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EIEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000076801920 1048945422 /nfs/dbraw/zinc/94/54/22/1048945422.db2.gz ZDEFBLJKEVFYCY-QWHCGFSZSA-N 1 1 345.512 4.068 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619142 1048952899 /nfs/dbraw/zinc/95/28/99/1048952899.db2.gz NCXYOIDHNPNDLZ-GHTZIAJQSA-N 1 1 340.511 4.260 20 30 EIEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021996 1048981681 /nfs/dbraw/zinc/98/16/81/1048981681.db2.gz DQOOXRMBKXTRKL-STQMWFEESA-N 1 1 349.356 4.162 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021996 1048981686 /nfs/dbraw/zinc/98/16/86/1048981686.db2.gz DQOOXRMBKXTRKL-STQMWFEESA-N 1 1 349.356 4.162 20 30 EIEDMO C=CC1(CC(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)CCCCC1 ZINC001146343204 1049019704 /nfs/dbraw/zinc/01/97/04/1049019704.db2.gz CJHLGZLICXZWLW-SFHVURJKSA-N 1 1 341.499 4.320 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(Cl)cc1 ZINC000811517583 1049103417 /nfs/dbraw/zinc/10/34/17/1049103417.db2.gz WSSLBDLLYVNCCS-QGZVFWFLSA-N 1 1 329.827 4.211 20 30 EIEDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609540572 1049142479 /nfs/dbraw/zinc/14/24/79/1049142479.db2.gz FCVMJIRKPJRYGL-AWEZNQCLSA-N 1 1 347.528 4.195 20 30 EIEDMO C=C(CC(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222052 1049313636 /nfs/dbraw/zinc/31/36/36/1049313636.db2.gz GBMHPXIGMQSFPK-QGZVFWFLSA-N 1 1 328.500 4.137 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000820162602 1049447140 /nfs/dbraw/zinc/44/71/40/1049447140.db2.gz YOBCMJPEPNYQBC-OAHLLOKOSA-N 1 1 325.836 4.262 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCCCC)c1)c1ccc(F)cc1 ZINC000812793456 1049590141 /nfs/dbraw/zinc/59/01/41/1049590141.db2.gz UYGWAHJGDKPUMU-IBGZPJMESA-N 1 1 341.426 4.477 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793600 1049590469 /nfs/dbraw/zinc/59/04/69/1049590469.db2.gz WRHVZUWWQCWMIF-MRXNPFEDSA-N 1 1 325.280 4.448 20 30 EIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848015 1049610504 /nfs/dbraw/zinc/61/05/04/1049610504.db2.gz HPNZDDYZNKRZMV-UWJYYQICSA-N 1 1 336.479 4.432 20 30 EIEDMO C=C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465941 1049663791 /nfs/dbraw/zinc/66/37/91/1049663791.db2.gz ZEKFHFDODUHLHM-AZUAARDMSA-N 1 1 328.500 4.117 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C#N)CCc3ccccc3)c2C1 ZINC001136583193 1049758645 /nfs/dbraw/zinc/75/86/45/1049758645.db2.gz LYKJVYXVGYECRT-SFHVURJKSA-N 1 1 347.462 4.123 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C#N)CCc3ccccc3)c2C1 ZINC001136583193 1049758653 /nfs/dbraw/zinc/75/86/53/1049758653.db2.gz LYKJVYXVGYECRT-SFHVURJKSA-N 1 1 347.462 4.123 20 30 EIEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171602890 1049764904 /nfs/dbraw/zinc/76/49/04/1049764904.db2.gz AFIGXWIRBHOSJA-JKSUJKDBSA-N 1 1 337.508 4.036 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000170871807 1049766466 /nfs/dbraw/zinc/76/64/66/1049766466.db2.gz RKUPPCWWNQGYIC-UHFFFAOYSA-N 1 1 345.215 4.239 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171672687 1049775699 /nfs/dbraw/zinc/77/56/99/1049775699.db2.gz CXFGSUWOXVVPTA-BVSLBCMMSA-N 1 1 343.511 4.142 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171672688 1049776128 /nfs/dbraw/zinc/77/61/28/1049776128.db2.gz CXFGSUWOXVVPTA-HJNYFJLDSA-N 1 1 343.511 4.142 20 30 EIEDMO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1F ZINC001171713646 1049782359 /nfs/dbraw/zinc/78/23/59/1049782359.db2.gz KBOXLCFGABGPQI-INIZCTEOSA-N 1 1 345.805 4.030 20 30 EIEDMO C#CCCCCCC[N@@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171827280 1049802871 /nfs/dbraw/zinc/80/28/71/1049802871.db2.gz LDEXMXWPEITTJL-UHFFFAOYSA-N 1 1 334.504 4.044 20 30 EIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847280 1049812714 /nfs/dbraw/zinc/81/27/14/1049812714.db2.gz KWTPAPQTMFHBJQ-STQMWFEESA-N 1 1 347.459 4.051 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000813789063 1049816663 /nfs/dbraw/zinc/81/66/63/1049816663.db2.gz IARXKJOPRGOCHP-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000813789063 1049816665 /nfs/dbraw/zinc/81/66/65/1049816665.db2.gz IARXKJOPRGOCHP-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000813789063 1049816668 /nfs/dbraw/zinc/81/66/68/1049816668.db2.gz IARXKJOPRGOCHP-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000813789063 1049816672 /nfs/dbraw/zinc/81/66/72/1049816672.db2.gz IARXKJOPRGOCHP-NOTZXAQLSA-N 1 1 345.490 4.234 20 30 EIEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC(C)(C(=O)OCC)CC1 ZINC001171956223 1049821206 /nfs/dbraw/zinc/82/12/06/1049821206.db2.gz PZBQJXJZAKAHPB-AATLZSDMSA-N 1 1 339.479 4.121 20 30 EIEDMO CCCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073552 1049844265 /nfs/dbraw/zinc/84/42/65/1049844265.db2.gz AFYPNLMERQRSMX-AERCQKQUSA-N 1 1 325.500 4.198 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000823616828 1049863304 /nfs/dbraw/zinc/86/33/04/1049863304.db2.gz CCJBUJOEXBWJLM-KZULUSFZSA-N 1 1 332.806 4.077 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616592 1049863445 /nfs/dbraw/zinc/86/34/45/1049863445.db2.gz ATKOQWMFXMLYRQ-FZKQIMNGSA-N 1 1 348.368 4.303 20 30 EIEDMO C=CCCCC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000823638484 1049865017 /nfs/dbraw/zinc/86/50/17/1049865017.db2.gz SBCVSIUGFXONEN-APWZRJJASA-N 1 1 327.472 4.243 20 30 EIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310586 1049874681 /nfs/dbraw/zinc/87/46/81/1049874681.db2.gz GITNBRMFVPZTKT-AVRDEDQJSA-N 1 1 348.490 4.453 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172311696 1049875337 /nfs/dbraw/zinc/87/53/37/1049875337.db2.gz WAWXSOXQAJEOHK-YWZLYKJASA-N 1 1 340.854 4.216 20 30 EIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172311696 1049875338 /nfs/dbraw/zinc/87/53/38/1049875338.db2.gz WAWXSOXQAJEOHK-YWZLYKJASA-N 1 1 340.854 4.216 20 30 EIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312806 1049875686 /nfs/dbraw/zinc/87/56/86/1049875686.db2.gz JQRKIXBGPIRFJC-UTKZUKDTSA-N 1 1 334.463 4.473 20 30 EIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@@H]2CC ZINC001172373455 1049884105 /nfs/dbraw/zinc/88/41/05/1049884105.db2.gz MPHWIZYYOOLQOZ-HZVKZAKPSA-N 1 1 332.532 4.233 20 30 EIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001172354247 1049893141 /nfs/dbraw/zinc/89/31/41/1049893141.db2.gz FTJIZMKPWFMWQO-RBUKOAKNSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001172357639 1049894218 /nfs/dbraw/zinc/89/42/18/1049894218.db2.gz LFCOTNMBJQOOCP-OALUTQOASA-N 1 1 335.536 4.495 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496222 1049922229 /nfs/dbraw/zinc/92/22/29/1049922229.db2.gz KVWJJZLOUWANDZ-YLJYHZDGSA-N 1 1 349.519 4.324 20 30 EIEDMO CCCCCCCC[C@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172505241 1049924248 /nfs/dbraw/zinc/92/42/48/1049924248.db2.gz KWLUYUAFVIBWBG-CADBVGFASA-N 1 1 339.520 4.168 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506912 1049925250 /nfs/dbraw/zinc/92/52/50/1049925250.db2.gz LWGHLQRWIZZMPO-MRXNPFEDSA-N 1 1 337.508 4.038 20 30 EIEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172509083 1049925351 /nfs/dbraw/zinc/92/53/51/1049925351.db2.gz SEZMIFDKNXBIND-MOPGFXCFSA-N 1 1 335.536 4.495 20 30 EIEDMO CC1(C)CC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)O1 ZINC001172643950 1049954855 /nfs/dbraw/zinc/95/48/55/1049954855.db2.gz GZTBXKJWKZSKTA-UHFFFAOYSA-N 1 1 339.295 4.145 20 30 EIEDMO CCC(CC)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC001177199559 1050159832 /nfs/dbraw/zinc/15/98/32/1050159832.db2.gz LUBJAWSCGKHVLJ-NRFANRHFSA-N 1 1 341.543 4.478 20 30 EIEDMO C=CCN1CC[C@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1=O ZINC001173116430 1050312334 /nfs/dbraw/zinc/31/23/34/1050312334.db2.gz NRNHWFRUARKDQM-QFIPXVFZSA-N 1 1 344.543 4.380 20 30 EIEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](CCCC)CC(C)C)CC2 ZINC001173259975 1050385665 /nfs/dbraw/zinc/38/56/65/1050385665.db2.gz KDLBHPADKVXVMI-QGZVFWFLSA-N 1 1 333.520 4.086 20 30 EIEDMO CCCCCCCC[C@@H](CCC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001173308524 1050403466 /nfs/dbraw/zinc/40/34/66/1050403466.db2.gz ASKRVPOCZBXMCM-QGZVFWFLSA-N 1 1 327.509 4.218 20 30 EIEDMO CCCCCCCCC[C@@H](CCC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001173284723 1050412711 /nfs/dbraw/zinc/41/27/11/1050412711.db2.gz IGICLLXKRVRABT-HXUWFJFHSA-N 1 1 337.596 4.227 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCSC[C@@H]2c2cccc(OC)c2)CC1 ZINC001173323368 1050414994 /nfs/dbraw/zinc/41/49/94/1050414994.db2.gz FAATYPKOMBMJDC-AFMYVXGZSA-N 1 1 347.524 4.299 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173323376 1050415218 /nfs/dbraw/zinc/41/52/18/1050415218.db2.gz WMFZFXIYQOTVGP-RJYAGPCLSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173323376 1050415220 /nfs/dbraw/zinc/41/52/20/1050415220.db2.gz WMFZFXIYQOTVGP-RJYAGPCLSA-N 1 1 335.875 4.227 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001173320649 1050415654 /nfs/dbraw/zinc/41/56/54/1050415654.db2.gz QMZUGRQSINOHEH-ACBHZAAOSA-N 1 1 345.483 4.052 20 30 EIEDMO COC(=O)[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173336749 1050425195 /nfs/dbraw/zinc/42/51/95/1050425195.db2.gz KEUXMBTXKPJPPQ-RDVQEIBISA-N 1 1 340.467 4.085 20 30 EIEDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341520 1050429967 /nfs/dbraw/zinc/42/99/67/1050429967.db2.gz YMUFBPUVIIHCPG-ADKAHSJRSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)[C@@H]1CN(c2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001187045945 1050467864 /nfs/dbraw/zinc/46/78/64/1050467864.db2.gz ZFRKLNYYWFJFHH-NRFANRHFSA-N 1 1 337.442 4.044 20 30 EIEDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+](C4CCC(C)(C#N)CC4)C[C@H]3O2)n1 ZINC001173595535 1050497169 /nfs/dbraw/zinc/49/71/69/1050497169.db2.gz QQKRQMPATTUABX-BVOGREQHSA-N 1 1 345.512 4.076 20 30 EIEDMO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173592348 1050497415 /nfs/dbraw/zinc/49/74/15/1050497415.db2.gz NCYZZIBONFCXJS-JFBVMJNESA-N 1 1 349.519 4.084 20 30 EIEDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1CCC(C)(C#N)CC1 ZINC001173598678 1050498885 /nfs/dbraw/zinc/49/88/85/1050498885.db2.gz UCNBIDQTCPIAAQ-PPDQVPDSSA-N 1 1 330.472 4.005 20 30 EIEDMO CC1(C#N)CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173597307 1050499658 /nfs/dbraw/zinc/49/96/58/1050499658.db2.gz ORKKHPSGMUSCPK-IOSXPMGOSA-N 1 1 329.875 4.075 20 30 EIEDMO COc1cccc(C[C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601077 1050501345 /nfs/dbraw/zinc/50/13/45/1050501345.db2.gz OGJBFBAYNDMGRT-LWEYNCJUSA-N 1 1 326.484 4.422 20 30 EIEDMO CC1(C#N)CCC([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501575 /nfs/dbraw/zinc/50/15/75/1050501575.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 1 1 337.511 4.057 20 30 EIEDMO CC1(C#N)CCC([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501588 /nfs/dbraw/zinc/50/15/88/1050501588.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 1 1 337.511 4.057 20 30 EIEDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600880 1050501737 /nfs/dbraw/zinc/50/17/37/1050501737.db2.gz LSHAKCBJPPZKQK-VXESANQCSA-N 1 1 349.519 4.038 20 30 EIEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000618779465 1050520009 /nfs/dbraw/zinc/52/00/09/1050520009.db2.gz YSQJDVWZHHPPPM-JTQLQIEISA-N 1 1 325.359 4.193 20 30 EIEDMO CCCC[N@@H+](CCC#N)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173683261 1050530333 /nfs/dbraw/zinc/53/03/33/1050530333.db2.gz WPLMZVXIAMOQJR-HZPDHXFCSA-N 1 1 337.508 4.179 20 30 EIEDMO C=CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC001179173757 1050646469 /nfs/dbraw/zinc/64/64/69/1050646469.db2.gz XLNWVZZHNDQYOZ-UHFFFAOYSA-N 1 1 348.874 4.477 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000619508757 1050798003 /nfs/dbraw/zinc/79/80/03/1050798003.db2.gz WYCIZRZDRMLTHQ-ROUUACIJSA-N 1 1 340.373 4.327 20 30 EIEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000775184008 1050815968 /nfs/dbraw/zinc/81/59/68/1050815968.db2.gz RXCOMPLTXQEOID-LLVKDONJSA-N 1 1 335.270 4.026 20 30 EIEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000775184008 1050815972 /nfs/dbraw/zinc/81/59/72/1050815972.db2.gz RXCOMPLTXQEOID-LLVKDONJSA-N 1 1 335.270 4.026 20 30 EIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097111 1050866370 /nfs/dbraw/zinc/86/63/70/1050866370.db2.gz BCCPCGWNTBDGGI-WOJBJXKFSA-N 1 1 342.483 4.127 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC001180051931 1050869476 /nfs/dbraw/zinc/86/94/76/1050869476.db2.gz MRTBFQPPWRTMMZ-AEFFLSMTSA-N 1 1 335.900 4.212 20 30 EIEDMO COc1ccc2nc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)sc2c1 ZINC000619749031 1050896564 /nfs/dbraw/zinc/89/65/64/1050896564.db2.gz XGSMKJXCDHQAHZ-UHFFFAOYSA-N 1 1 343.839 4.120 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1F ZINC001180152744 1050900516 /nfs/dbraw/zinc/90/05/16/1050900516.db2.gz CJGQKTQAFUVYBE-UHFFFAOYSA-N 1 1 330.378 4.200 20 30 EIEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c2cccnc12 ZINC001174394683 1050911324 /nfs/dbraw/zinc/91/13/24/1050911324.db2.gz SRUOLYKUFTVEFE-UHFFFAOYSA-N 1 1 340.430 4.308 20 30 EIEDMO Cc1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224764 1050920451 /nfs/dbraw/zinc/92/04/51/1050920451.db2.gz JBMVCDVTGJICJT-JOCHJYFZSA-N 1 1 334.463 4.090 20 30 EIEDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC001180194484 1050928660 /nfs/dbraw/zinc/92/86/60/1050928660.db2.gz DZQCHPMEDSVANY-CQSZACIVSA-N 1 1 343.421 4.486 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001180280683 1050951997 /nfs/dbraw/zinc/95/19/97/1050951997.db2.gz LRDBDPCDWVRFNR-UHFFFAOYSA-N 1 1 330.422 4.262 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193525 1051058575 /nfs/dbraw/zinc/05/85/75/1051058575.db2.gz IXKXDGTWWIVYQY-ICSRJNTNSA-N 1 1 340.511 4.007 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620193458 1051059035 /nfs/dbraw/zinc/05/90/35/1051059035.db2.gz HSDXSBXTHINPTE-CTNGQTDRSA-N 1 1 340.511 4.007 20 30 EIEDMO C=CC[N@H+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC001180706947 1051067757 /nfs/dbraw/zinc/06/77/57/1051067757.db2.gz BNGUUKATINYVMZ-UHFFFAOYSA-N 1 1 342.483 4.130 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC12CCOCC2 ZINC001190347898 1051159844 /nfs/dbraw/zinc/15/98/44/1051159844.db2.gz GDDZBPKQHUUXPK-HXUWFJFHSA-N 1 1 326.484 4.367 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC001190400323 1051168997 /nfs/dbraw/zinc/16/89/97/1051168997.db2.gz YBAWZDYNDDNACK-DZFIZOCASA-N 1 1 326.484 4.001 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471192 1051233758 /nfs/dbraw/zinc/23/37/58/1051233758.db2.gz CZROSJMNJUVCEL-HNNXBMFYSA-N 1 1 341.421 4.009 20 30 EIEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471192 1051233771 /nfs/dbraw/zinc/23/37/71/1051233771.db2.gz CZROSJMNJUVCEL-HNNXBMFYSA-N 1 1 341.421 4.009 20 30 EIEDMO C#CC[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000775401569 1051237224 /nfs/dbraw/zinc/23/72/24/1051237224.db2.gz VEACYLAKUQRYKZ-OAHLLOKOSA-N 1 1 325.362 4.286 20 30 EIEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001190651879 1051244893 /nfs/dbraw/zinc/24/48/93/1051244893.db2.gz RYBYZXNXBQYZBM-IBGZPJMESA-N 1 1 347.547 4.259 20 30 EIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC1CCCCC1 ZINC001190706658 1051250284 /nfs/dbraw/zinc/25/02/84/1051250284.db2.gz AUVKCFLCDUMETA-WBTXTPOCSA-N 1 1 347.547 4.208 20 30 EIEDMO CCCc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC001190818209 1051284574 /nfs/dbraw/zinc/28/45/74/1051284574.db2.gz GVELFNXOZNWQKY-UHFFFAOYSA-N 1 1 333.479 4.223 20 30 EIEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001191121623 1051356156 /nfs/dbraw/zinc/35/61/56/1051356156.db2.gz FMLWYDCNDLOJHB-ICSRJNTNSA-N 1 1 345.531 4.167 20 30 EIEDMO CC(C)Oc1cc(F)cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175140938 1051409545 /nfs/dbraw/zinc/40/95/45/1051409545.db2.gz XAKXDQSTJBTBQA-UHFFFAOYSA-N 1 1 345.443 4.278 20 30 EIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001191266815 1051411001 /nfs/dbraw/zinc/41/10/01/1051411001.db2.gz ADNNIUJEBVELIV-NRFANRHFSA-N 1 1 349.478 4.148 20 30 EIEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234830 1051433117 /nfs/dbraw/zinc/43/31/17/1051433117.db2.gz GPJROZXWYQAHKE-CTNGQTDRSA-N 1 1 343.515 4.294 20 30 EIEDMO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC001191463293 1051468625 /nfs/dbraw/zinc/46/86/25/1051468625.db2.gz ALJQCDBZCGFWHN-LBPRGKRZSA-N 1 1 336.407 4.284 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001191508576 1051470427 /nfs/dbraw/zinc/47/04/27/1051470427.db2.gz DDRUONKMWGIHET-QGZVFWFLSA-N 1 1 342.483 4.119 20 30 EIEDMO N#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(O)cc1F ZINC001175363768 1051552042 /nfs/dbraw/zinc/55/20/42/1051552042.db2.gz LTADVSIHVMYDNJ-UHFFFAOYSA-N 1 1 325.387 4.132 20 30 EIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000156970365 1051585526 /nfs/dbraw/zinc/58/55/26/1051585526.db2.gz PPTGXUYRVDQLOK-KRWDZBQOSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccc(Cl)nn2)C(C)(C)C)cc1 ZINC001192052923 1051626117 /nfs/dbraw/zinc/62/61/17/1051626117.db2.gz QBHMJJQDJMPXSR-UHFFFAOYSA-N 1 1 345.874 4.496 20 30 EIEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC001182520949 1051630518 /nfs/dbraw/zinc/63/05/18/1051630518.db2.gz LMZSBHYXWGHYQA-FQEVSTJZSA-N 1 1 326.390 4.434 20 30 EIEDMO N#Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc(F)c1F ZINC001175506474 1051640961 /nfs/dbraw/zinc/64/09/61/1051640961.db2.gz BIJVIUDPASWFFA-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)ccc1C#N ZINC001182666671 1051663595 /nfs/dbraw/zinc/66/35/95/1051663595.db2.gz PXXIKHLQXRCTCD-YPAWHYETSA-N 1 1 332.447 4.361 20 30 EIEDMO CSc1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001192489590 1051756537 /nfs/dbraw/zinc/75/65/37/1051756537.db2.gz GUXJEHZLNYTIBA-UHFFFAOYSA-N 1 1 338.476 4.324 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(-c2ncco2)cc1F ZINC001192652514 1051780117 /nfs/dbraw/zinc/78/01/17/1051780117.db2.gz DICOOJGAJIZKRV-UHFFFAOYSA-N 1 1 326.371 4.304 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001192654025 1051781962 /nfs/dbraw/zinc/78/19/62/1051781962.db2.gz SPYCESASOAAMQA-OAHLLOKOSA-N 1 1 346.858 4.299 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001192654025 1051781975 /nfs/dbraw/zinc/78/19/75/1051781975.db2.gz SPYCESASOAAMQA-OAHLLOKOSA-N 1 1 346.858 4.299 20 30 EIEDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001193118534 1051873225 /nfs/dbraw/zinc/87/32/25/1051873225.db2.gz UBOUOFWRERBGDM-GOSISDBHSA-N 1 1 342.389 4.497 20 30 EIEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001193118534 1051873232 /nfs/dbraw/zinc/87/32/32/1051873232.db2.gz UBOUOFWRERBGDM-GOSISDBHSA-N 1 1 342.389 4.497 20 30 EIEDMO Fc1cccc(F)c1[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001176021152 1051877404 /nfs/dbraw/zinc/87/74/04/1051877404.db2.gz NQLPJUVGCFXXCZ-OAHLLOKOSA-N 1 1 331.793 4.459 20 30 EIEDMO Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001176021152 1051877409 /nfs/dbraw/zinc/87/74/09/1051877409.db2.gz NQLPJUVGCFXXCZ-OAHLLOKOSA-N 1 1 331.793 4.459 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000621731894 1051926183 /nfs/dbraw/zinc/92/61/83/1051926183.db2.gz DWJLJPGXFUAGBI-KRWDZBQOSA-N 1 1 342.508 4.092 20 30 EIEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516834 1051942294 /nfs/dbraw/zinc/94/22/94/1051942294.db2.gz IJPQYWLTFDRQKM-FQEVSTJZSA-N 1 1 342.870 4.375 20 30 EIEDMO C=CC[C@@H]1[N@H+](CC(=O)NCc2ccc(Cl)cc2)CCCC1(C)C ZINC001193921467 1052029275 /nfs/dbraw/zinc/02/92/75/1052029275.db2.gz XNCPYDFKTFZHRZ-KRWDZBQOSA-N 1 1 334.891 4.023 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001194052133 1052061452 /nfs/dbraw/zinc/06/14/52/1052061452.db2.gz PKPUSJQMWDIWCV-UHFFFAOYSA-N 1 1 349.474 4.470 20 30 EIEDMO C=C(C)C[N@@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccccc1 ZINC001194052142 1052062555 /nfs/dbraw/zinc/06/25/55/1052062555.db2.gz PSYSDBOKECETSM-UHFFFAOYSA-N 1 1 335.451 4.210 20 30 EIEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001194165230 1052093955 /nfs/dbraw/zinc/09/39/55/1052093955.db2.gz RCJILEGFFVWKCF-GOSISDBHSA-N 1 1 334.246 4.162 20 30 EIEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CCC(C#N)CC1 ZINC001194212628 1052106739 /nfs/dbraw/zinc/10/67/39/1052106739.db2.gz DIMUBIFLAKAUFB-UHFFFAOYSA-N 1 1 340.389 4.389 20 30 EIEDMO C=CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC001194291397 1052129014 /nfs/dbraw/zinc/12/90/14/1052129014.db2.gz NLWIAMDGXPXEDL-SQNIBIBYSA-N 1 1 335.875 4.464 20 30 EIEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001176554739 1052130840 /nfs/dbraw/zinc/13/08/40/1052130840.db2.gz GKEXSURTJPJALT-OAHLLOKOSA-N 1 1 342.911 4.288 20 30 EIEDMO C=CCCCC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001176718269 1052189055 /nfs/dbraw/zinc/18/90/55/1052189055.db2.gz KTSMRSHAFBNPCF-QGZVFWFLSA-N 1 1 338.289 4.089 20 30 EIEDMO CCCCCC[N@H+](Cc1ccco1)C[C@@H](O)c1cccc(C#N)c1 ZINC001176828298 1052196372 /nfs/dbraw/zinc/19/63/72/1052196372.db2.gz QVDTXFQMXVHVRM-HXUWFJFHSA-N 1 1 326.440 4.267 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000671243577 1052527411 /nfs/dbraw/zinc/52/74/11/1052527411.db2.gz UWNMHNXPXMTONZ-QFIPXVFZSA-N 1 1 332.447 4.337 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000671243577 1052527415 /nfs/dbraw/zinc/52/74/15/1052527415.db2.gz UWNMHNXPXMTONZ-QFIPXVFZSA-N 1 1 332.447 4.337 20 30 EIEDMO C=CCC[C@@H]([NH2+]Cc1nc2oc(C)c(C)c2c(N)n1)c1ccccc1 ZINC000180036419 1052774908 /nfs/dbraw/zinc/77/49/08/1052774908.db2.gz RNESTYDZJAHALY-MRXNPFEDSA-N 1 1 336.439 4.219 20 30 EIEDMO N#Cc1cccc(COc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000272913979 1052790081 /nfs/dbraw/zinc/79/00/81/1052790081.db2.gz RXZNMFAWDNMTRH-NHCUHLMSSA-N 1 1 347.462 4.176 20 30 EIEDMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)c1 ZINC000183821050 1052984858 /nfs/dbraw/zinc/98/48/58/1052984858.db2.gz GGIDMZKUALJNQG-SFHVURJKSA-N 1 1 344.462 4.156 20 30 EIEDMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000183835264 1052985793 /nfs/dbraw/zinc/98/57/93/1052985793.db2.gz ZYPXSAPHXSMRRS-GOSISDBHSA-N 1 1 344.462 4.156 20 30 EIEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194754218 1053078839 /nfs/dbraw/zinc/07/88/39/1053078839.db2.gz BSZRLDJCSKQOSE-MRXNPFEDSA-N 1 1 342.845 4.041 20 30 EIEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194754218 1053078849 /nfs/dbraw/zinc/07/88/49/1053078849.db2.gz BSZRLDJCSKQOSE-MRXNPFEDSA-N 1 1 342.845 4.041 20 30 EIEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001194782683 1053091336 /nfs/dbraw/zinc/09/13/36/1053091336.db2.gz VGFRFLJETXXJFL-UHFFFAOYSA-N 1 1 347.528 4.338 20 30 EIEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850241457 1053097347 /nfs/dbraw/zinc/09/73/47/1053097347.db2.gz HBYIXYNIECPYSU-IBGZPJMESA-N 1 1 334.467 4.186 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850351931 1053124441 /nfs/dbraw/zinc/12/44/41/1053124441.db2.gz KAHCENBGGZFKJH-LPHOPBHVSA-N 1 1 342.487 4.423 20 30 EIEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000775617047 1053134294 /nfs/dbraw/zinc/13/42/94/1053134294.db2.gz JDPPYFNBAUKDDE-OAQYLSRUSA-N 1 1 325.452 4.197 20 30 EIEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CCC1 ZINC001194983951 1053215911 /nfs/dbraw/zinc/21/59/11/1053215911.db2.gz NVIDRANNLREDNE-PMACEKPBSA-N 1 1 338.495 4.439 20 30 EIEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251977 1053344047 /nfs/dbraw/zinc/34/40/47/1053344047.db2.gz ZFIUXQNAECAWQC-IAGOWNOFSA-N 1 1 334.504 4.150 20 30 EIEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290067 1053366362 /nfs/dbraw/zinc/36/63/62/1053366362.db2.gz SRJZIVLXWZTWGY-BBRMVZONSA-N 1 1 348.874 4.154 20 30 EIEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001195290067 1053366381 /nfs/dbraw/zinc/36/63/81/1053366381.db2.gz SRJZIVLXWZTWGY-BBRMVZONSA-N 1 1 348.874 4.154 20 30 EIEDMO Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC001195368266 1053383425 /nfs/dbraw/zinc/38/34/25/1053383425.db2.gz RAKGKZIBLGDGFT-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000764963253 1053400001 /nfs/dbraw/zinc/40/00/01/1053400001.db2.gz BWNGECXTCOZNHQ-IPELMVKDSA-N 1 1 334.891 4.095 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001195797592 1053489540 /nfs/dbraw/zinc/48/95/40/1053489540.db2.gz IYKKQHSYGJWCKT-KRWDZBQOSA-N 1 1 334.504 4.437 20 30 EIEDMO Fc1ccc(C#CC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001195872986 1053513112 /nfs/dbraw/zinc/51/31/12/1053513112.db2.gz HOOWQWICWDEFJU-HXUWFJFHSA-N 1 1 325.402 4.414 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000852325853 1053567997 /nfs/dbraw/zinc/56/79/97/1053567997.db2.gz JYVAUQRPOKQOAE-QFIPXVFZSA-N 1 1 327.431 4.292 20 30 EIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000852325853 1053568007 /nfs/dbraw/zinc/56/80/07/1053568007.db2.gz JYVAUQRPOKQOAE-QFIPXVFZSA-N 1 1 327.431 4.292 20 30 EIEDMO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](CC#N)C3)c2cc1Cl ZINC000852320130 1053568143 /nfs/dbraw/zinc/56/81/43/1053568143.db2.gz WXHJBUWGXLGCLZ-CYBMUJFWSA-N 1 1 344.842 4.134 20 30 EIEDMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](CC#N)C3)c2cc1Cl ZINC000852320130 1053568155 /nfs/dbraw/zinc/56/81/55/1053568155.db2.gz WXHJBUWGXLGCLZ-CYBMUJFWSA-N 1 1 344.842 4.134 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000852319758 1053568165 /nfs/dbraw/zinc/56/81/65/1053568165.db2.gz CBSBLIDNHAJYIB-SFHVURJKSA-N 1 1 349.519 4.039 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC001196039724 1053569326 /nfs/dbraw/zinc/56/93/26/1053569326.db2.gz QCLMARXZTYOIHZ-UHFFFAOYSA-N 1 1 343.430 4.261 20 30 EIEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000552199991 1053577652 /nfs/dbraw/zinc/57/76/52/1053577652.db2.gz QSTKXZPQBKYPMP-INIZCTEOSA-N 1 1 333.863 4.051 20 30 EIEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564110 1053588624 /nfs/dbraw/zinc/58/86/24/1053588624.db2.gz LLFWWQMLTXLILC-SCLBCKFNSA-N 1 1 346.883 4.278 20 30 EIEDMO C[C@@H](C#N)OCC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564110 1053588637 /nfs/dbraw/zinc/58/86/37/1053588637.db2.gz LLFWWQMLTXLILC-SCLBCKFNSA-N 1 1 346.883 4.278 20 30 EIEDMO C=CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C(C)(C)C ZINC001196199287 1053609500 /nfs/dbraw/zinc/60/95/00/1053609500.db2.gz ZKKSIVFDVOYZKF-UHFFFAOYSA-N 1 1 331.435 4.403 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC001196321982 1053638749 /nfs/dbraw/zinc/63/87/49/1053638749.db2.gz HAXJUARFLBHYKN-KFWWJZLASA-N 1 1 348.874 4.167 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001196442546 1053661727 /nfs/dbraw/zinc/66/17/27/1053661727.db2.gz REBFOHHGMFDJLL-CYBMUJFWSA-N 1 1 331.257 4.395 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1O ZINC000866369170 1053706354 /nfs/dbraw/zinc/70/63/54/1053706354.db2.gz BGJUXDSXKHFVHZ-XPTSAGLGSA-N 1 1 332.325 4.019 20 30 EIEDMO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cccc(C#N)c1O ZINC000866406183 1053716973 /nfs/dbraw/zinc/71/69/73/1053716973.db2.gz UQCNVHGLZKFYJL-VIFPVBQESA-N 1 1 326.343 4.195 20 30 EIEDMO C[C@H](CCC#N)[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854064203 1053750114 /nfs/dbraw/zinc/75/01/14/1053750114.db2.gz ABPGZRLGKZPTHH-OAHLLOKOSA-N 1 1 340.446 4.088 20 30 EIEDMO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001196991431 1053818819 /nfs/dbraw/zinc/81/88/19/1053818819.db2.gz FOWBUXFFSCEWGM-GOSISDBHSA-N 1 1 345.368 4.483 20 30 EIEDMO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1Cc1ccncc1C#N ZINC001196991431 1053818821 /nfs/dbraw/zinc/81/88/21/1053818821.db2.gz FOWBUXFFSCEWGM-GOSISDBHSA-N 1 1 345.368 4.483 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(-c2ncco2)cc1F ZINC001197115081 1053840381 /nfs/dbraw/zinc/84/03/81/1053840381.db2.gz KHKXWVFGHMOYPG-UHFFFAOYSA-N 1 1 335.382 4.027 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121863870 1053853456 /nfs/dbraw/zinc/85/34/56/1053853456.db2.gz QVPDUFUYSXRWIX-HKUYNNGSSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000543731209 1053864287 /nfs/dbraw/zinc/86/42/87/1053864287.db2.gz WRHQOKOIDUQLME-GHYICZDASA-N 1 1 345.446 4.065 20 30 EIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000543731208 1053865044 /nfs/dbraw/zinc/86/50/44/1053865044.db2.gz WRHQOKOIDUQLME-DRUFCSCSSA-N 1 1 345.446 4.065 20 30 EIEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCC1(C#N)CCCCC1)CC2 ZINC001197496498 1053926845 /nfs/dbraw/zinc/92/68/45/1053926845.db2.gz KMFYAELZCUZQDJ-INIZCTEOSA-N 1 1 342.483 4.487 20 30 EIEDMO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885911 1054014139 /nfs/dbraw/zinc/01/41/39/1054014139.db2.gz XHVNPSLCZCVXGS-GFCCVEGCSA-N 1 1 329.259 4.429 20 30 EIEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001203885911 1054014154 /nfs/dbraw/zinc/01/41/54/1054014154.db2.gz XHVNPSLCZCVXGS-GFCCVEGCSA-N 1 1 329.259 4.429 20 30 EIEDMO C#CC[N@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)C ZINC001197936835 1054020270 /nfs/dbraw/zinc/02/02/70/1054020270.db2.gz BEHKFFIUXNSAGM-UHFFFAOYSA-N 1 1 336.435 4.151 20 30 EIEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)C ZINC001197936835 1054020287 /nfs/dbraw/zinc/02/02/87/1054020287.db2.gz BEHKFFIUXNSAGM-UHFFFAOYSA-N 1 1 336.435 4.151 20 30 EIEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)[C@@H]1CCCc2ccccc21 ZINC001198103814 1054079836 /nfs/dbraw/zinc/07/98/36/1054079836.db2.gz KDPPULUJNVGBSE-JOCHJYFZSA-N 1 1 335.495 4.375 20 30 EIEDMO C=CCCC[N@H+](CC)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC001198457622 1054149746 /nfs/dbraw/zinc/14/97/46/1054149746.db2.gz FKDXLTASWYUDIZ-UHFFFAOYSA-N 1 1 343.471 4.021 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490797 1054162343 /nfs/dbraw/zinc/16/23/43/1054162343.db2.gz KSGDAMCPFNUCIY-QZTJIDSGSA-N 1 1 332.463 4.070 20 30 EIEDMO CN(C)c1ccc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000775882714 1054202476 /nfs/dbraw/zinc/20/24/76/1054202476.db2.gz KVTFHQGNFODRCY-UHFFFAOYSA-N 1 1 337.442 4.143 20 30 EIEDMO COc1cc(C=NOCc2c(C)cc(C)[nH+]c2C)cc(Cl)c1OC ZINC000871724516 1054266269 /nfs/dbraw/zinc/26/62/69/1054266269.db2.gz XBYOMJBDWXLAQY-UHFFFAOYSA-N 1 1 348.830 4.228 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858019024 1054400945 /nfs/dbraw/zinc/40/09/45/1054400945.db2.gz FBKATEAXHDZBLO-GOSISDBHSA-N 1 1 327.472 4.132 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872129546 1054404780 /nfs/dbraw/zinc/40/47/80/1054404780.db2.gz CINHVYZWCJFJQI-GHMZBOCLSA-N 1 1 335.329 4.089 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052181 1054410703 /nfs/dbraw/zinc/41/07/03/1054410703.db2.gz UYTXJPFFSGZINQ-MGPUTAFESA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000872179595 1054423153 /nfs/dbraw/zinc/42/31/53/1054423153.db2.gz DDMWARRSXDHCJE-GFCCVEGCSA-N 1 1 326.227 4.191 20 30 EIEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011869 1054445336 /nfs/dbraw/zinc/44/53/36/1054445336.db2.gz BYBWBDVSLGAMHI-WMLDXEAASA-N 1 1 339.405 4.199 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186191490 1054556440 /nfs/dbraw/zinc/55/64/40/1054556440.db2.gz SHENHIBLCRUTOV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186191490 1054556455 /nfs/dbraw/zinc/55/64/55/1054556455.db2.gz SHENHIBLCRUTOV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO C=CCc1cc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc(OC)c1O ZINC001201372414 1054765446 /nfs/dbraw/zinc/76/54/46/1054765446.db2.gz IVIFDFKANDYVIB-INIZCTEOSA-N 1 1 345.826 4.006 20 30 EIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201487189 1054815288 /nfs/dbraw/zinc/81/52/88/1054815288.db2.gz QYERUGVQVMMPFF-TZIWHRDSSA-N 1 1 332.532 4.402 20 30 EIEDMO CCC(C#N)(CC)C(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000860655348 1054846846 /nfs/dbraw/zinc/84/68/46/1054846846.db2.gz KITXMOMNTUCCSE-OXQOHEQNSA-N 1 1 346.446 4.035 20 30 EIEDMO CCCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201630495 1054859140 /nfs/dbraw/zinc/85/91/40/1054859140.db2.gz BLUMSMMUHBRIGD-SFHVURJKSA-N 1 1 335.536 4.497 20 30 EIEDMO CCCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001201804342 1054911243 /nfs/dbraw/zinc/91/12/43/1054911243.db2.gz IHNSKXSGQJUQDC-UHFFFAOYSA-N 1 1 338.517 4.081 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201814245 1054911855 /nfs/dbraw/zinc/91/18/55/1054911855.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 1 1 335.561 4.400 20 30 EIEDMO CCCCCCCCC[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001201839629 1054932127 /nfs/dbraw/zinc/93/21/27/1054932127.db2.gz OPTSNFXFYUUYMX-UHFFFAOYSA-N 1 1 348.535 4.161 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201846776 1054933135 /nfs/dbraw/zinc/93/31/35/1054933135.db2.gz LEDXLZTUDJVHQQ-OAQYLSRUSA-N 1 1 343.515 4.261 20 30 EIEDMO COCCCC[N@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876639934 1054943728 /nfs/dbraw/zinc/94/37/28/1054943728.db2.gz LFVWMNQJPNGWOF-UHFFFAOYSA-N 1 1 343.858 4.035 20 30 EIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876639934 1054943741 /nfs/dbraw/zinc/94/37/41/1054943741.db2.gz LFVWMNQJPNGWOF-UHFFFAOYSA-N 1 1 343.858 4.035 20 30 EIEDMO CC(C)=CCC[C@@H](C)CC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201980707 1054957224 /nfs/dbraw/zinc/95/72/24/1054957224.db2.gz FOCZWYLGXMAIHB-LJQANCHMSA-N 1 1 340.515 4.238 20 30 EIEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000876820195 1054964178 /nfs/dbraw/zinc/96/41/78/1054964178.db2.gz RUYAIZWSHJFALI-QGZVFWFLSA-N 1 1 327.472 4.188 20 30 EIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000777223033 1055005466 /nfs/dbraw/zinc/00/54/66/1055005466.db2.gz VHBOYQUGZVTLRU-LJQANCHMSA-N 1 1 342.487 4.074 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nc(C)c(C)[nH]2)C(C)(C)C)cc1 ZINC000862213076 1055030181 /nfs/dbraw/zinc/03/01/81/1055030181.db2.gz MMRGUDWNLOVFIS-UHFFFAOYSA-N 1 1 327.472 4.392 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nc(C)c(C)[nH]2)C(C)(C)C)cc1 ZINC000862213076 1055030191 /nfs/dbraw/zinc/03/01/91/1055030191.db2.gz MMRGUDWNLOVFIS-UHFFFAOYSA-N 1 1 327.472 4.392 20 30 EIEDMO C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000877170169 1055030397 /nfs/dbraw/zinc/03/03/97/1055030397.db2.gz JFTGDACPNUPTKJ-OXQOHEQNSA-N 1 1 335.451 4.032 20 30 EIEDMO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877493316 1055064360 /nfs/dbraw/zinc/06/43/60/1055064360.db2.gz KHXNSSMOHUKRLH-UHFFFAOYSA-N 1 1 343.858 4.420 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552342 1055079617 /nfs/dbraw/zinc/07/96/17/1055079617.db2.gz CRTXCEMHSDJAIS-KZNAEPCWSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000877622651 1055094333 /nfs/dbraw/zinc/09/43/33/1055094333.db2.gz RWNBQFACCABKII-OAHLLOKOSA-N 1 1 329.444 4.159 20 30 EIEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877812386 1055124896 /nfs/dbraw/zinc/12/48/96/1055124896.db2.gz OMWMGIJPYLFDES-INIZCTEOSA-N 1 1 326.362 4.143 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877903639 1055149615 /nfs/dbraw/zinc/14/96/15/1055149615.db2.gz ZIOWYFGNNAPGMF-AWEZNQCLSA-N 1 1 341.904 4.118 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(CCOCC2)O1 ZINC000877903640 1055150119 /nfs/dbraw/zinc/15/01/19/1055150119.db2.gz ZIOWYFGNNAPGMF-CQSZACIVSA-N 1 1 341.904 4.118 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000877916148 1055153812 /nfs/dbraw/zinc/15/38/12/1055153812.db2.gz YMDLOBKIUMBIOL-GOTSBHOMSA-N 1 1 346.474 4.134 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000877937365 1055157134 /nfs/dbraw/zinc/15/71/34/1055157134.db2.gz LFPHFDSGPDMHTE-VGOFRKELSA-N 1 1 332.447 4.046 20 30 EIEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(C)cc1 ZINC000878005449 1055173856 /nfs/dbraw/zinc/17/38/56/1055173856.db2.gz NZJVCSKKJIMIOV-QFIPXVFZSA-N 1 1 334.463 4.258 20 30 EIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056079 1055181712 /nfs/dbraw/zinc/18/17/12/1055181712.db2.gz ADTAOKHHOKWASR-FVJLSDCUSA-N 1 1 326.484 4.326 20 30 EIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151410 1055195160 /nfs/dbraw/zinc/19/51/60/1055195160.db2.gz QHCJYSNRFIZWDF-ZCNNSNEGSA-N 1 1 344.524 4.033 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000878176976 1055199385 /nfs/dbraw/zinc/19/93/85/1055199385.db2.gz QPFKZACNNVJTFO-CDNPAEQRSA-N 1 1 346.474 4.305 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000878176977 1055199717 /nfs/dbraw/zinc/19/97/17/1055199717.db2.gz QPFKZACNNVJTFO-OFAXGOBFSA-N 1 1 346.474 4.305 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515839 1055333093 /nfs/dbraw/zinc/33/30/93/1055333093.db2.gz JBRMIRCTYYUGLR-MRXNPFEDSA-N 1 1 327.428 4.009 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516096 1055333290 /nfs/dbraw/zinc/33/32/90/1055333290.db2.gz OHPMFSUJZCUNPZ-MRXNPFEDSA-N 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C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743261773 1058906022 /nfs/dbraw/zinc/90/60/22/1058906022.db2.gz KGBDAMFOEDOQMY-NRFANRHFSA-N 1 1 325.452 4.034 20 30 EIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743868622 1059185060 /nfs/dbraw/zinc/18/50/60/1059185060.db2.gz FBJWSMPETYBXDN-OAQYLSRUSA-N 1 1 340.442 4.427 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1cnc2cc(C)c(C)cc21 ZINC000745162779 1059766177 /nfs/dbraw/zinc/76/61/77/1059766177.db2.gz YGACXTRXYHTKAB-UHFFFAOYSA-N 1 1 330.435 4.171 20 30 EIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000745942764 1059918446 /nfs/dbraw/zinc/91/84/46/1059918446.db2.gz RGTSHELWMGLLDG-HNNXBMFYSA-N 1 1 328.403 4.489 20 30 EIEDMO CC[N@@H+](CCc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746070780 1060007337 /nfs/dbraw/zinc/00/73/37/1060007337.db2.gz ZFXPYHCNONEONE-UHFFFAOYSA-N 1 1 336.464 4.005 20 30 EIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000065432564 1060048159 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C=CCn1ccc2c1nc[nH+]c2NCCOc1cccc2ccccc21 ZINC001169010358 1060575634 /nfs/dbraw/zinc/57/56/34/1060575634.db2.gz BVHOSDHAXJPSCU-UHFFFAOYSA-N 1 1 344.418 4.261 20 30 EIEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169282631 1060739166 /nfs/dbraw/zinc/73/91/66/1060739166.db2.gz XZGIWJVTJMDGOF-UHFFFAOYSA-N 1 1 327.399 4.441 20 30 EIEDMO Cc1cc(C#N)cc(C)c1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001169536280 1060848753 /nfs/dbraw/zinc/84/87/53/1060848753.db2.gz AEFKTRGEYWKXLY-KRWDZBQOSA-N 1 1 339.508 4.115 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001169677389 1060894606 /nfs/dbraw/zinc/89/46/06/1060894606.db2.gz ZPBXKJQTYBLHOD-WKCHPHFGSA-N 1 1 332.447 4.348 20 30 EIEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853695 1061000311 /nfs/dbraw/zinc/00/03/11/1061000311.db2.gz HHCGKDCDMYJKIU-PXNSSMCTSA-N 1 1 347.462 4.073 20 30 EIEDMO C#CCCCCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC001169918188 1061025411 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N#CCCCOc1cccc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000237823870 1032237330 /nfs/dbraw/zinc/23/73/30/1032237330.db2.gz KTXBUONIEUTVLH-UHFFFAOYSA-N 1 1 347.418 4.314 20 30 EIEDMO CCC1CCC([N@@H+](CCC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000532919786 1032399268 /nfs/dbraw/zinc/39/92/68/1032399268.db2.gz PSVZZKXXBJWGLZ-UHFFFAOYSA-N 1 1 345.512 4.382 20 30 EIEDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941975 1032404961 /nfs/dbraw/zinc/40/49/61/1032404961.db2.gz PGFUHMSXHBDBJM-MOPGFXCFSA-N 1 1 349.478 4.057 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749890 1032459336 /nfs/dbraw/zinc/45/93/36/1032459336.db2.gz NOSRDWFKAONKPL-FZKQIMNGSA-N 1 1 341.480 4.252 20 30 EIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCSCC#N)CC1 ZINC000177094862 1032494794 /nfs/dbraw/zinc/49/47/94/1032494794.db2.gz CDZHPBJIKHNVHV-UHFFFAOYSA-N 1 1 325.481 4.212 20 30 EIEDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000178517919 1032534615 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C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026331447 1032695169 /nfs/dbraw/zinc/69/51/69/1032695169.db2.gz LHMBTRQJEAVOIG-ZDUSSCGKSA-N 1 1 340.377 4.496 20 30 EIEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427858 1032746042 /nfs/dbraw/zinc/74/60/42/1032746042.db2.gz NSKLLILUAIZZTG-QAPCUYQASA-N 1 1 339.401 4.072 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]2CC)cc1OC ZINC000430191620 1019080441 /nfs/dbraw/zinc/08/04/41/1019080441.db2.gz HCTVCRXDPRFPCB-CYBMUJFWSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]2CC)cc1OC ZINC000430191620 1019080460 /nfs/dbraw/zinc/08/04/60/1019080460.db2.gz HCTVCRXDPRFPCB-CYBMUJFWSA-N 1 1 340.261 4.007 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430235370 1019549534 /nfs/dbraw/zinc/54/95/34/1019549534.db2.gz DELKUOPTASSFHK-BBRMVZONSA-N 1 1 342.252 4.052 20 30 EIEDMO C=CC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000063300376 1019826285 /nfs/dbraw/zinc/82/62/85/1019826285.db2.gz 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EIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2C1 ZINC000158385037 1026463522 /nfs/dbraw/zinc/46/35/22/1026463522.db2.gz DAITWTSDWPZFKD-UHFFFAOYSA-N 1 1 325.456 4.071 20 30 EIEDMO C=CCCn1cc(CNc2ccc([N@H+]3CCCC[C@H]3C)cc2C)nn1 ZINC000657412048 1026558466 /nfs/dbraw/zinc/55/84/66/1026558466.db2.gz ZLDYSJQOBIUIBC-QGZVFWFLSA-N 1 1 339.487 4.154 20 30 EIEDMO C=CCCn1cc(CNc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)nn1 ZINC000657412048 1026558470 /nfs/dbraw/zinc/55/84/70/1026558470.db2.gz ZLDYSJQOBIUIBC-QGZVFWFLSA-N 1 1 339.487 4.154 20 30 EIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCCC1 ZINC000096994765 1026618341 /nfs/dbraw/zinc/61/83/41/1026618341.db2.gz NLEGBMJFTPHETP-UHFFFAOYSA-N 1 1 337.467 4.392 20 30 EIEDMO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)nn1 ZINC000657428961 1026630838 /nfs/dbraw/zinc/63/08/38/1026630838.db2.gz OYELVNODTPOGGW-DNVCBOLYSA-N 1 1 336.483 4.244 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2conc2Cc2ccccc2)C2CC2)cc1 ZINC000507154949 1026675760 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C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000507254963 1026724709 /nfs/dbraw/zinc/72/47/09/1026724709.db2.gz YAPMCMHLJPFBKC-UHFFFAOYSA-N 1 1 342.826 4.005 20 30 EIEDMO C=CC[NH+](Cc1ccc(OC)c(F)c1)Cc1ccc(OC)c(F)c1 ZINC000507338705 1026752102 /nfs/dbraw/zinc/75/21/02/1026752102.db2.gz PYCSVUUDPXEUGH-UHFFFAOYSA-N 1 1 333.378 4.170 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)c1 ZINC000500461293 1026770308 /nfs/dbraw/zinc/77/03/08/1026770308.db2.gz WPAUBDLOSOPGBE-LJQANCHMSA-N 1 1 341.499 4.061 20 30 EIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135117988 1026777330 /nfs/dbraw/zinc/77/73/30/1026777330.db2.gz VJXKMZSKECPQRY-WNSKOXEYSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135117988 1026777339 /nfs/dbraw/zinc/77/73/39/1026777339.db2.gz VJXKMZSKECPQRY-WNSKOXEYSA-N 1 1 345.895 4.122 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749591 1026867788 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ZINC000329429548 1027775835 /nfs/dbraw/zinc/77/58/35/1027775835.db2.gz HXGJWGPGPPOVMA-INIZCTEOSA-N 1 1 338.455 4.485 20 30 EIEDMO CC(C)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccn1 ZINC000896663965 1027776651 /nfs/dbraw/zinc/77/66/51/1027776651.db2.gz QRMCKVJWAKZNJU-UHFFFAOYSA-N 1 1 336.483 4.090 20 30 EIEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328762214 1027804055 /nfs/dbraw/zinc/80/40/55/1027804055.db2.gz YYMKTABCGBOMQP-HNNXBMFYSA-N 1 1 333.476 4.147 20 30 EIEDMO COc1cccc(C[N@@H+](CCCCC(C)(C)C#N)C[C@H]2CCCO2)c1 ZINC000444594019 1027881335 /nfs/dbraw/zinc/88/13/35/1027881335.db2.gz IYDGEGXJUAVCMS-HXUWFJFHSA-N 1 1 344.499 4.396 20 30 EIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000330896620 1027898950 /nfs/dbraw/zinc/89/89/50/1027898950.db2.gz LPRTXHRHOYAWFS-HNNXBMFYSA-N 1 1 347.459 4.108 20 30 EIEDMO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccon1 ZINC000444670491 1027953139 /nfs/dbraw/zinc/95/31/39/1027953139.db2.gz ITIYSBFNAVUUJV-KRWDZBQOSA-N 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1028195732 /nfs/dbraw/zinc/19/57/32/1028195732.db2.gz AZZONMIUXFZIOC-SFHVURJKSA-N 1 1 338.495 4.470 20 30 EIEDMO O=C(N[C@@H]1CC12CCCCC2)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330124638 1028207793 /nfs/dbraw/zinc/20/77/93/1028207793.db2.gz ICPRRWCBRCCHJU-CQSZACIVSA-N 1 1 346.381 4.232 20 30 EIEDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c2n[nH]cc21 ZINC000330148855 1028213635 /nfs/dbraw/zinc/21/36/35/1028213635.db2.gz JSFOZYQUEPQSBT-CQSZACIVSA-N 1 1 326.444 4.114 20 30 EIEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559136 1028229991 /nfs/dbraw/zinc/22/99/91/1028229991.db2.gz HCMTWCPYQJEMLD-KRWDZBQOSA-N 1 1 347.890 4.241 20 30 EIEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559139 1028230838 /nfs/dbraw/zinc/23/08/38/1028230838.db2.gz HCMTWCPYQJEMLD-QGZVFWFLSA-N 1 1 347.890 4.241 20 30 EIEDMO Cn1c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2nc1C(C)(C)C ZINC000330231618 1028234618 /nfs/dbraw/zinc/23/46/18/1028234618.db2.gz RCNSMTKWUZDZHA-QGZVFWFLSA-N 1 1 340.471 4.086 20 30 EIEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000523583033 1028243713 /nfs/dbraw/zinc/24/37/13/1028243713.db2.gz QYVNFZVEUVKHJC-QGZVFWFLSA-N 1 1 326.827 4.080 20 30 EIEDMO C=C(Br)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001167659873 1028259959 /nfs/dbraw/zinc/25/99/59/1028259959.db2.gz WFXYACSQYNHXAU-DLBZAZTESA-N 1 1 338.289 4.263 20 30 EIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000330306565 1028362944 /nfs/dbraw/zinc/36/29/44/1028362944.db2.gz ROIYRHZTXQNWIL-LBPRGKRZSA-N 1 1 336.386 4.353 20 30 EIEDMO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000330306565 1028362965 /nfs/dbraw/zinc/36/29/65/1028362965.db2.gz ROIYRHZTXQNWIL-LBPRGKRZSA-N 1 1 336.386 4.353 20 30 EIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000330306565 1028362985 /nfs/dbraw/zinc/36/29/85/1028362985.db2.gz ROIYRHZTXQNWIL-LBPRGKRZSA-N 1 1 336.386 4.353 20 30 EIEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)cc1OCCCC#N ZINC000346321775 1028372541 /nfs/dbraw/zinc/37/25/41/1028372541.db2.gz DVPYGSPXUZOGMM-INIZCTEOSA-N 1 1 330.472 4.246 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000346537318 1028488563 /nfs/dbraw/zinc/48/85/63/1028488563.db2.gz DBSWKZLMTGWLHR-IBGZPJMESA-N 1 1 349.478 4.071 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](CCO)c1ccccc1 ZINC000426449842 1028633885 /nfs/dbraw/zinc/63/38/85/1028633885.db2.gz JMJFUUXGMDQABP-IBGZPJMESA-N 1 1 347.380 4.112 20 30 EIEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Oc1ccccc1 ZINC000428405165 1028642803 /nfs/dbraw/zinc/64/28/03/1028642803.db2.gz DGQSKQWHFJQSEK-MOPGFXCFSA-N 1 1 333.435 4.389 20 30 EIEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443998503 1028719158 /nfs/dbraw/zinc/71/91/58/1028719158.db2.gz PTWYWQKDEKHDPO-UHFFFAOYSA-N 1 1 328.359 4.017 20 30 EIEDMO CCn1c(C)cc(C(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000444059235 1028775397 /nfs/dbraw/zinc/77/53/97/1028775397.db2.gz QAYDLZIQQIASPD-MRXNPFEDSA-N 1 1 337.467 4.262 20 30 EIEDMO CCn1c(C)cc(C(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000444059235 1028775418 /nfs/dbraw/zinc/77/54/18/1028775418.db2.gz QAYDLZIQQIASPD-MRXNPFEDSA-N 1 1 337.467 4.262 20 30 EIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121228972 1028892033 /nfs/dbraw/zinc/89/20/33/1028892033.db2.gz CTCOEWOZCGCTGS-OAHLLOKOSA-N 1 1 343.452 4.159 20 30 EIEDMO CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000524424515 1028958840 /nfs/dbraw/zinc/95/88/40/1028958840.db2.gz CWAKHFWKQLXLFB-UHFFFAOYSA-N 1 1 337.423 4.167 20 30 EIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncc3c(c2C#N)CCC3)cc1 ZINC000583627140 1028963175 /nfs/dbraw/zinc/96/31/75/1028963175.db2.gz LMLHGOPKSVGJGY-AWEZNQCLSA-N 1 1 343.434 4.109 20 30 EIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc[nH+]cc1Br ZINC000343344014 1029009262 /nfs/dbraw/zinc/00/92/62/1029009262.db2.gz CBQLGFIMPNDFRG-UHFFFAOYSA-N 1 1 349.276 4.204 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281975592 1029033259 /nfs/dbraw/zinc/03/32/59/1029033259.db2.gz LOGHJHIOQAOLLI-APWZRJJASA-N 1 1 330.447 4.309 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000444224206 1029089655 /nfs/dbraw/zinc/08/96/55/1029089655.db2.gz JDIDPNYRUIXYDE-NRFANRHFSA-N 1 1 347.462 4.341 20 30 EIEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444228974 1029099752 /nfs/dbraw/zinc/09/97/52/1029099752.db2.gz VEPYVDAOXMQJNE-NRFANRHFSA-N 1 1 347.462 4.423 20 30 EIEDMO C[C@H]1CC([NH+]2CCC(CC#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053972 1029186884 /nfs/dbraw/zinc/18/68/84/1029186884.db2.gz QNYRKPUHKNUDGX-ROUUACIJSA-N 1 1 325.500 4.054 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1)C(C)C ZINC000246925626 1029205379 /nfs/dbraw/zinc/20/53/79/1029205379.db2.gz ICAYQJYDZIFUID-DYESRHJHSA-N 1 1 341.499 4.119 20 30 EIEDMO CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000101544935 1029210579 /nfs/dbraw/zinc/21/05/79/1029210579.db2.gz DDDHLVUHBXBAMS-QGZVFWFLSA-N 1 1 330.435 4.327 20 30 EIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441091712 1029566301 /nfs/dbraw/zinc/56/63/01/1029566301.db2.gz NMDSWKLMSXZMOY-VQIMIIECSA-N 1 1 347.462 4.011 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2snnc2C)C(C)(C)C)cc1 ZINC000584175573 1029657410 /nfs/dbraw/zinc/65/74/10/1029657410.db2.gz DSEDTDLCMNBWKW-UHFFFAOYSA-N 1 1 331.485 4.212 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2snnc2C)C(C)(C)C)cc1 ZINC000584175573 1029657412 /nfs/dbraw/zinc/65/74/12/1029657412.db2.gz DSEDTDLCMNBWKW-UHFFFAOYSA-N 1 1 331.485 4.212 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000428344761 1029755590 /nfs/dbraw/zinc/75/55/90/1029755590.db2.gz KDFSBUGEVVFDES-CYBMUJFWSA-N 1 1 342.389 4.476 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441230673 1029931816 /nfs/dbraw/zinc/93/18/16/1029931816.db2.gz JRVDZGUPYYKGOX-JKSUJKDBSA-N 1 1 342.870 4.026 20 30 EIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000525784129 1030018222 /nfs/dbraw/zinc/01/82/22/1030018222.db2.gz FJYPANAYSDUQES-UHFFFAOYSA-N 1 1 330.447 4.259 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000184330098 1030070592 /nfs/dbraw/zinc/07/05/92/1030070592.db2.gz IYXITBKLEQNLBV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000184330098 1030070610 /nfs/dbraw/zinc/07/06/10/1030070610.db2.gz IYXITBKLEQNLBV-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000089103752 1030106702 /nfs/dbraw/zinc/10/67/02/1030106702.db2.gz NNRKFAWFSHHNEK-AWEZNQCLSA-N 1 1 340.398 4.067 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000450960607 1030136850 /nfs/dbraw/zinc/13/68/50/1030136850.db2.gz SAEVGBHMLINLBJ-VWPQPMDRSA-N 1 1 340.511 4.393 20 30 EIEDMO C=C(C)C[N@H+](CCCc1cc(CC)no1)Cc1cnn(C(C)C)c1 ZINC000450982707 1030162486 /nfs/dbraw/zinc/16/24/86/1030162486.db2.gz MVHMRZWTXHTNKZ-UHFFFAOYSA-N 1 1 330.476 4.025 20 30 EIEDMO N#CCCN1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000026201488 1030206752 /nfs/dbraw/zinc/20/67/52/1030206752.db2.gz QLCTZLZEOPYCPR-UHFFFAOYSA-N 1 1 345.899 4.100 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(C(F)(F)F)s1 ZINC000447740325 1030318000 /nfs/dbraw/zinc/31/80/00/1030318000.db2.gz HKRBILCOWRNRBT-UHFFFAOYSA-N 1 1 326.387 4.393 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(C(F)(F)F)s1 ZINC000447740325 1030318013 /nfs/dbraw/zinc/31/80/13/1030318013.db2.gz HKRBILCOWRNRBT-UHFFFAOYSA-N 1 1 326.387 4.393 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942315 1030358009 /nfs/dbraw/zinc/35/80/09/1030358009.db2.gz JCSVHEBTFJEMMI-NVXWUHKLSA-N 1 1 328.456 4.063 20 30 EIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451331212 1030408391 /nfs/dbraw/zinc/40/83/91/1030408391.db2.gz NMIGTJXJYWFAGJ-LJQANCHMSA-N 1 1 342.870 4.307 20 30 EIEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527077788 1030468939 /nfs/dbraw/zinc/46/89/39/1030468939.db2.gz GEZOQXYHMBGYRP-CQSZACIVSA-N 1 1 337.261 4.144 20 30 EIEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937157 1030521304 /nfs/dbraw/zinc/52/13/04/1030521304.db2.gz ADFDRGNWADSTPW-LJQANCHMSA-N 1 1 341.480 4.471 20 30 EIEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937157 1030521319 /nfs/dbraw/zinc/52/13/19/1030521319.db2.gz ADFDRGNWADSTPW-LJQANCHMSA-N 1 1 341.480 4.471 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553246 1030571740 /nfs/dbraw/zinc/57/17/40/1030571740.db2.gz XWMWFRWVZKVICZ-QGZVFWFLSA-N 1 1 329.444 4.494 20 30 EIEDMO COc1cc(C[N@@H+](C)CCCC(C)(C)C#N)ccc1OC(F)F ZINC000530626533 1030597004 /nfs/dbraw/zinc/59/70/04/1030597004.db2.gz XABLALRJYREZHG-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366539 1030657226 /nfs/dbraw/zinc/65/72/26/1030657226.db2.gz RSXIZFHFAOKDJX-OALUTQOASA-N 1 1 348.475 4.410 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000527366539 1030657232 /nfs/dbraw/zinc/65/72/32/1030657232.db2.gz RSXIZFHFAOKDJX-OALUTQOASA-N 1 1 348.475 4.410 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719657 1030755984 /nfs/dbraw/zinc/75/59/84/1030755984.db2.gz ICIYTZZVTHWMDJ-FUHIMQAGSA-N 1 1 345.918 4.491 20 30 EIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180315 1030808440 /nfs/dbraw/zinc/80/84/40/1030808440.db2.gz QIZUTNMVSBHBHY-VDGAXYAQSA-N 1 1 349.902 4.097 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451563 1030814651 /nfs/dbraw/zinc/81/46/51/1030814651.db2.gz UOURPGWVSKMFKN-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451563 1030814653 /nfs/dbraw/zinc/81/46/53/1030814653.db2.gz UOURPGWVSKMFKN-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451563 1030814655 /nfs/dbraw/zinc/81/46/55/1030814655.db2.gz UOURPGWVSKMFKN-RTBURBONSA-N 1 1 333.479 4.216 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452060515 1030832383 /nfs/dbraw/zinc/83/23/83/1030832383.db2.gz MUCWEOOQXPVIIF-KRWDZBQOSA-N 1 1 346.883 4.267 20 30 EIEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001168134956 1030836361 /nfs/dbraw/zinc/83/63/61/1030836361.db2.gz RPENGYVYAQEUMX-INIZCTEOSA-N 1 1 341.373 4.003 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000612094062 1030852690 /nfs/dbraw/zinc/85/26/90/1030852690.db2.gz XLEGSTUXUGEZHZ-SFHVURJKSA-N 1 1 331.419 4.273 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)ccc1F ZINC000103474952 1030899463 /nfs/dbraw/zinc/89/94/63/1030899463.db2.gz IXJXFGGDHKMTTD-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO CCC(C#N)(CC)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000527984819 1031040176 /nfs/dbraw/zinc/04/01/76/1031040176.db2.gz XFASECGQCSICGR-QGZVFWFLSA-N 1 1 341.499 4.007 20 30 EIEDMO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000528021209 1031065729 /nfs/dbraw/zinc/06/57/29/1031065729.db2.gz AZFJQIVFQHZPRV-INIZCTEOSA-N 1 1 327.472 4.329 20 30 EIEDMO N#CCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401858 1031258517 /nfs/dbraw/zinc/25/85/17/1031258517.db2.gz NUALYFRSZFHLMT-HNNXBMFYSA-N 1 1 344.846 4.263 20 30 EIEDMO CC[C@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccc(OC)cc1 ZINC000364310890 1031272323 /nfs/dbraw/zinc/27/23/23/1031272323.db2.gz UTNHXDDVLUTORN-IBGZPJMESA-N 1 1 347.418 4.463 20 30 EIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532572471 1031304262 /nfs/dbraw/zinc/30/42/62/1031304262.db2.gz JGEKKNYMJJPYKB-UHFFFAOYSA-N 1 1 345.512 4.115 20 30 EIEDMO C=CCCC[N@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000532580180 1031315018 /nfs/dbraw/zinc/31/50/18/1031315018.db2.gz GRHNLKBSQPZXID-HXUWFJFHSA-N 1 1 338.451 4.273 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528354246 1031427037 /nfs/dbraw/zinc/42/70/37/1031427037.db2.gz XTOSHQTZGRDLKP-UHFFFAOYSA-N 1 1 333.357 4.384 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(C#N)cc1 ZINC000548931910 1031552043 /nfs/dbraw/zinc/55/20/43/1031552043.db2.gz HJXIVZNFAUKMPT-GFCCVEGCSA-N 1 1 340.224 4.043 20 30 EIEDMO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1Cl ZINC000365444665 1031681145 /nfs/dbraw/zinc/68/11/45/1031681145.db2.gz ABMHANMJXFFSPY-LBPRGKRZSA-N 1 1 335.835 4.187 20 30 EIEDMO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1Cl ZINC000365444665 1031681154 /nfs/dbraw/zinc/68/11/54/1031681154.db2.gz ABMHANMJXFFSPY-LBPRGKRZSA-N 1 1 335.835 4.187 20 30 EIEDMO COc1ccc2c(c1)[C@@H]([N@@H+](CCCC#N)Cc1ccccc1)CCO2 ZINC000127641764 1031701557 /nfs/dbraw/zinc/70/15/57/1031701557.db2.gz SXVUHXGOBYOIQY-FQEVSTJZSA-N 1 1 336.435 4.325 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c(OC(F)F)c1 ZINC000528660913 1031727609 /nfs/dbraw/zinc/72/76/09/1031727609.db2.gz STJKNQSCAHDBFE-SFHVURJKSA-N 1 1 343.377 4.186 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119076226 1031739480 /nfs/dbraw/zinc/73/94/80/1031739480.db2.gz BRMMMZCRZVFCNB-HOTGVXAUSA-N 1 1 341.282 4.213 20 30 EIEDMO C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc(OC)c1O ZINC000449456198 1031752963 /nfs/dbraw/zinc/75/29/63/1031752963.db2.gz CHPNDTXHIUBQCA-WFASDCNBSA-N 1 1 343.389 4.292 20 30 EIEDMO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453236519 1031757082 /nfs/dbraw/zinc/75/70/82/1031757082.db2.gz UQOZUYLEHKEFID-PWRODBHTSA-N 1 1 339.527 4.349 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000531910990 1031807349 /nfs/dbraw/zinc/80/73/49/1031807349.db2.gz ZHDVWGQQQRFTRT-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000531910990 1031807358 /nfs/dbraw/zinc/80/73/58/1031807358.db2.gz ZHDVWGQQQRFTRT-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO N#CCCn1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532832 1031828261 /nfs/dbraw/zinc/82/82/61/1031828261.db2.gz DRISPLFWXWTGFP-RBBKRZOGSA-N 1 1 346.478 4.084 20 30 EIEDMO N#CCCn1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532825 1031828437 /nfs/dbraw/zinc/82/84/37/1031828437.db2.gz DRISPLFWXWTGFP-IFMALSPDSA-N 1 1 346.478 4.084 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3c(F)cccc3Cl)CCOCC2)cc1 ZINC000528778853 1031848781 /nfs/dbraw/zinc/84/87/81/1031848781.db2.gz NSYJWFJFUUFFJO-UHFFFAOYSA-N 1 1 344.817 4.146 20 30 EIEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)c(F)c1 ZINC000453340534 1031865794 /nfs/dbraw/zinc/86/57/94/1031865794.db2.gz LEHLREDIXOBFFS-RFAUZJTJSA-N 1 1 334.316 4.453 20 30 EIEDMO N#Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897421 /nfs/dbraw/zinc/89/74/21/1031897421.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 1 1 345.490 4.045 20 30 EIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000053279351 1032022583 /nfs/dbraw/zinc/02/25/83/1032022583.db2.gz FXCBXMVALCTSRX-QGZVFWFLSA-N 1 1 339.464 4.094 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](OC)c1ccccc1 ZINC000512565870 1033384707 /nfs/dbraw/zinc/38/47/07/1033384707.db2.gz SZMRAHJKZJDOMC-FQEVSTJZSA-N 1 1 327.472 4.230 20 30 EIEDMO CCC[N@H+](C)[C@@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574431 1033405158 /nfs/dbraw/zinc/40/51/58/1033405158.db2.gz RGQMCUHKAZPRBD-SFHVURJKSA-N 1 1 347.915 4.446 20 30 EIEDMO CCC[N@@H+](C)[C@@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574431 1033405182 /nfs/dbraw/zinc/40/51/82/1033405182.db2.gz RGQMCUHKAZPRBD-SFHVURJKSA-N 1 1 347.915 4.446 20 30 EIEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000429840647 1033406506 /nfs/dbraw/zinc/40/65/06/1033406506.db2.gz VUGMYEMFCCAWCJ-KRWDZBQOSA-N 1 1 328.500 4.137 20 30 EIEDMO C=CCCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000889166460 1033466361 /nfs/dbraw/zinc/46/63/61/1033466361.db2.gz VKHLENSDSUYAMN-SXLOBPIMSA-N 1 1 328.500 4.068 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000614160585 1033531705 /nfs/dbraw/zinc/53/17/05/1033531705.db2.gz JBLVNHTZSHWPNA-DYESRHJHSA-N 1 1 334.463 4.450 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000614160593 1033533622 /nfs/dbraw/zinc/53/36/22/1033533622.db2.gz JTWSKHHEEMUAQC-UHFFFAOYSA-N 1 1 333.479 4.200 20 30 EIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169715 1033559465 /nfs/dbraw/zinc/55/94/65/1033559465.db2.gz LYLGKNNHFQKBPA-JOCHJYFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169715 1033559473 /nfs/dbraw/zinc/55/94/73/1033559473.db2.gz LYLGKNNHFQKBPA-JOCHJYFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169715 1033559484 /nfs/dbraw/zinc/55/94/84/1033559484.db2.gz LYLGKNNHFQKBPA-JOCHJYFZSA-N 1 1 347.506 4.194 20 30 EIEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000614179145 1033589416 /nfs/dbraw/zinc/58/94/16/1033589416.db2.gz FQCXVXMOYKOWMH-QFIPXVFZSA-N 1 1 347.506 4.414 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000512659546 1033646109 /nfs/dbraw/zinc/64/61/09/1033646109.db2.gz HWGPHBIEAGRYMN-HOTGVXAUSA-N 1 1 348.425 4.354 20 30 EIEDMO N#CCCC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000433035427 1033691306 /nfs/dbraw/zinc/69/13/06/1033691306.db2.gz LZMRWFASHNURMA-KRWDZBQOSA-N 1 1 327.359 4.259 20 30 EIEDMO CO[C@H](C)c1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000433030422 1033697730 /nfs/dbraw/zinc/69/77/30/1033697730.db2.gz FMWFVCSPVOBXNM-RHSMWYFYSA-N 1 1 329.469 4.375 20 30 EIEDMO CCOC(=O)c1sc([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)nc1C ZINC000411535283 1033968921 /nfs/dbraw/zinc/96/89/21/1033968921.db2.gz FUGILZVSVHUHSM-CQSZACIVSA-N 1 1 349.500 4.143 20 30 EIEDMO CC(C)C1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000433169506 1033982840 /nfs/dbraw/zinc/98/28/40/1033982840.db2.gz ROLOVMNZLLMOEA-UHFFFAOYSA-N 1 1 327.472 4.033 20 30 EIEDMO N#CC1(CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CCCCC1 ZINC000411716922 1034049065 /nfs/dbraw/zinc/04/90/65/1034049065.db2.gz HPRDXJXEAOIWQW-NJYVYQBISA-N 1 1 338.495 4.355 20 30 EIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(C)(C)C#N ZINC000433297872 1034192863 /nfs/dbraw/zinc/19/28/63/1034192863.db2.gz XKISYSVSZMIAMC-INIZCTEOSA-N 1 1 335.451 4.481 20 30 EIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433297872 1034192873 /nfs/dbraw/zinc/19/28/73/1034192873.db2.gz XKISYSVSZMIAMC-INIZCTEOSA-N 1 1 335.451 4.481 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000614405680 1034553036 /nfs/dbraw/zinc/55/30/36/1034553036.db2.gz BNZBHOPVBZXSFE-LEWJYISDSA-N 1 1 338.426 4.358 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1OC ZINC000628326880 1035309434 /nfs/dbraw/zinc/30/94/34/1035309434.db2.gz YYKUNMOCWKNDPS-INIZCTEOSA-N 1 1 343.801 4.145 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501142204 1035386140 /nfs/dbraw/zinc/38/61/40/1035386140.db2.gz PJWSJNKBOWBDSW-UHFFFAOYSA-N 1 1 336.435 4.146 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000501215476 1035401990 /nfs/dbraw/zinc/40/19/90/1035401990.db2.gz BYXMRPOMFFVYAA-UHFFFAOYSA-N 1 1 348.446 4.255 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000501376892 1035433063 /nfs/dbraw/zinc/43/30/63/1035433063.db2.gz ITPMBQRTGZCYIY-CYBMUJFWSA-N 1 1 341.282 4.014 20 30 EIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000501376892 1035433071 /nfs/dbraw/zinc/43/30/71/1035433071.db2.gz ITPMBQRTGZCYIY-CYBMUJFWSA-N 1 1 341.282 4.014 20 30 EIEDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC1(C#N)CC1 ZINC000501552617 1035465638 /nfs/dbraw/zinc/46/56/38/1035465638.db2.gz WMBOGHPJPZBSQB-UHFFFAOYSA-N 1 1 341.430 4.429 20 30 EIEDMO N#CC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCCC1 ZINC000594994860 1035525991 /nfs/dbraw/zinc/52/59/91/1035525991.db2.gz NVZDIPHIPASOPD-UHFFFAOYSA-N 1 1 326.362 4.191 20 30 EIEDMO Cc1ccc(F)cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000490593697 1035544650 /nfs/dbraw/zinc/54/46/50/1035544650.db2.gz WUYLJJINGVLJBH-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO Cc1ccc(F)cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000490593697 1035544674 /nfs/dbraw/zinc/54/46/74/1035544674.db2.gz WUYLJJINGVLJBH-UHFFFAOYSA-N 1 1 329.259 4.451 20 30 EIEDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000595295661 1035621895 /nfs/dbraw/zinc/62/18/95/1035621895.db2.gz OECUTHPTYKRYRP-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000595295661 1035621914 /nfs/dbraw/zinc/62/19/14/1035621914.db2.gz OECUTHPTYKRYRP-CYBMUJFWSA-N 1 1 327.359 4.189 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000595397555 1035666018 /nfs/dbraw/zinc/66/60/18/1035666018.db2.gz LEEVVBLRVNJBCC-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000595397555 1035666034 /nfs/dbraw/zinc/66/60/34/1035666034.db2.gz LEEVVBLRVNJBCC-UHFFFAOYSA-N 1 1 331.341 4.137 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595620769 1035738416 /nfs/dbraw/zinc/73/84/16/1035738416.db2.gz QGFHEKCJZVZSRE-OAHLLOKOSA-N 1 1 340.858 4.231 20 30 EIEDMO CC(C)([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(C#N)c1 ZINC000595634341 1035742498 /nfs/dbraw/zinc/74/24/98/1035742498.db2.gz AQPCFIBPBCCGIK-UHFFFAOYSA-N 1 1 340.377 4.328 20 30 EIEDMO CCCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000913475435 1035746493 /nfs/dbraw/zinc/74/64/93/1035746493.db2.gz XPFUPPQVLDQCPJ-UHFFFAOYSA-N 1 1 346.515 4.090 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000595615686 1035749096 /nfs/dbraw/zinc/74/90/96/1035749096.db2.gz RSPKMODEPMLGEG-CYBMUJFWSA-N 1 1 344.256 4.123 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000595615686 1035749119 /nfs/dbraw/zinc/74/91/19/1035749119.db2.gz RSPKMODEPMLGEG-CYBMUJFWSA-N 1 1 344.256 4.123 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC4(CCCC4)CC3)o2)c1 ZINC000595643283 1035754637 /nfs/dbraw/zinc/75/46/37/1035754637.db2.gz WZGYCKAAPCHBQU-UHFFFAOYSA-N 1 1 336.439 4.155 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842148 1035796564 /nfs/dbraw/zinc/79/65/64/1035796564.db2.gz XZLOSHPRXUFVHI-IERDGZPVSA-N 1 1 333.435 4.235 20 30 EIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842148 1035796590 /nfs/dbraw/zinc/79/65/90/1035796590.db2.gz XZLOSHPRXUFVHI-IERDGZPVSA-N 1 1 333.435 4.235 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3CC3CCC3)o2)c1 ZINC000595870691 1035805266 /nfs/dbraw/zinc/80/52/66/1035805266.db2.gz JJZDIKAFJRZAEG-SFHVURJKSA-N 1 1 336.439 4.153 20 30 EIEDMO Cn1c[nH+]cc1CCCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000568883114 1035817381 /nfs/dbraw/zinc/81/73/81/1035817381.db2.gz CRKZSBYADSHMSU-UHFFFAOYSA-N 1 1 325.359 4.035 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000618807331 1035958399 /nfs/dbraw/zinc/95/83/99/1035958399.db2.gz UCBAIICOODTLTJ-TVQRCGJNSA-N 1 1 337.370 4.372 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccsc1 ZINC000421016376 1035982684 /nfs/dbraw/zinc/98/26/84/1035982684.db2.gz UYDYKACZKKFXJJ-CQSZACIVSA-N 1 1 327.453 4.030 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccsc1 ZINC000421016376 1035982782 /nfs/dbraw/zinc/98/27/82/1035982782.db2.gz UYDYKACZKKFXJJ-CQSZACIVSA-N 1 1 327.453 4.030 20 30 EIEDMO N#CC1(c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000596979405 1036063396 /nfs/dbraw/zinc/06/33/96/1036063396.db2.gz LUSMIUKQBITFIG-UHFFFAOYSA-N 1 1 347.418 4.315 20 30 EIEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597021403 1036075671 /nfs/dbraw/zinc/07/56/71/1036075671.db2.gz QEKFGHQEATVOOA-UHFFFAOYSA-N 1 1 325.481 4.151 20 30 EIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)cc2)CC1 ZINC000597088832 1036103034 /nfs/dbraw/zinc/10/30/34/1036103034.db2.gz RXNXOSHWGBKFNK-QHCPKHFHSA-N 1 1 344.458 4.263 20 30 EIEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000597186154 1036152799 /nfs/dbraw/zinc/15/27/99/1036152799.db2.gz BZNJYJPHFHFSCR-SFHVURJKSA-N 1 1 334.467 4.252 20 30 EIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](CCF)C2)c(-c2ccccc2)n1 ZINC000597212804 1036157068 /nfs/dbraw/zinc/15/70/68/1036157068.db2.gz ZQVYLGVDMKKLIL-QGZVFWFLSA-N 1 1 340.446 4.035 20 30 EIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588156465 1036232879 /nfs/dbraw/zinc/23/28/79/1036232879.db2.gz PMFQNIDOMSKMKL-KRWDZBQOSA-N 1 1 327.472 4.474 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000588235279 1036306820 /nfs/dbraw/zinc/30/68/20/1036306820.db2.gz YRJVAPKJKKKNGD-UHFFFAOYSA-N 1 1 326.227 4.441 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000588235279 1036306846 /nfs/dbraw/zinc/30/68/46/1036306846.db2.gz YRJVAPKJKKKNGD-UHFFFAOYSA-N 1 1 326.227 4.441 20 30 EIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)c1C ZINC000597687351 1036320000 /nfs/dbraw/zinc/32/00/00/1036320000.db2.gz NNDWSFNHEJGABS-UHFFFAOYSA-N 1 1 336.439 4.292 20 30 EIEDMO N#Cc1cnc(C[N@@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)nc1 ZINC000572137297 1036441087 /nfs/dbraw/zinc/44/10/87/1036441087.db2.gz ZSGQWRRCXRIHNA-HNNXBMFYSA-N 1 1 348.475 4.018 20 30 EIEDMO N#Cc1cnc(C[N@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)nc1 ZINC000572137297 1036441095 /nfs/dbraw/zinc/44/10/95/1036441095.db2.gz ZSGQWRRCXRIHNA-HNNXBMFYSA-N 1 1 348.475 4.018 20 30 EIEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480839 1036462735 /nfs/dbraw/zinc/46/27/35/1036462735.db2.gz CUMMXKIEQKSOEI-BBRMVZONSA-N 1 1 326.362 4.019 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480839 1036462747 /nfs/dbraw/zinc/46/27/47/1036462747.db2.gz CUMMXKIEQKSOEI-BBRMVZONSA-N 1 1 326.362 4.019 20 30 EIEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CC12CCOCC2 ZINC000414530314 1036504660 /nfs/dbraw/zinc/50/46/60/1036504660.db2.gz QFHGAFJCWRLBKH-FQEVSTJZSA-N 1 1 342.483 4.006 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1)C(C)C ZINC000589035441 1036639521 /nfs/dbraw/zinc/63/95/21/1036639521.db2.gz NBLSSLHJOXTCJI-UHFFFAOYSA-N 1 1 341.480 4.411 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886926 1036661410 /nfs/dbraw/zinc/66/14/10/1036661410.db2.gz KVRPQWBWDQFAQN-INIZCTEOSA-N 1 1 348.837 4.144 20 30 EIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886926 1036661426 /nfs/dbraw/zinc/66/14/26/1036661426.db2.gz KVRPQWBWDQFAQN-INIZCTEOSA-N 1 1 348.837 4.144 20 30 EIEDMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909183 1036662059 /nfs/dbraw/zinc/66/20/59/1036662059.db2.gz IENYKYRUEPNSFR-AWEZNQCLSA-N 1 1 338.455 4.179 20 30 EIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC000589497003 1036802959 /nfs/dbraw/zinc/80/29/59/1036802959.db2.gz BKSBLAHPLVBNML-CYBMUJFWSA-N 1 1 340.389 4.093 20 30 EIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)C1 ZINC000486754271 1036847151 /nfs/dbraw/zinc/84/71/51/1036847151.db2.gz LTXKEBMDVXJQMJ-CQSZACIVSA-N 1 1 339.464 4.104 20 30 EIEDMO C[C@@H]1C[C@H]1c1ccc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593688328 1036886369 /nfs/dbraw/zinc/88/63/69/1036886369.db2.gz OOULUXPNCBJCFB-IIBYNOLFSA-N 1 1 349.478 4.029 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1Cl ZINC000590190672 1037007282 /nfs/dbraw/zinc/00/72/82/1037007282.db2.gz VEHDUHOTMFNZDR-UHFFFAOYSA-N 1 1 337.810 4.080 20 30 EIEDMO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1(F)F ZINC000599515372 1037046700 /nfs/dbraw/zinc/04/67/00/1037046700.db2.gz TXUMPSWLCSQWKX-GHMZBOCLSA-N 1 1 332.316 4.300 20 30 EIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000272532664 1037212025 /nfs/dbraw/zinc/21/20/25/1037212025.db2.gz IRXZZAYKPHNEEU-IRXDYDNUSA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000272825911 1037305210 /nfs/dbraw/zinc/30/52/10/1037305210.db2.gz HFKQJYZBMIMBEZ-FXAWDEMLSA-N 1 1 335.451 4.054 20 30 EIEDMO N#CCC[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000272839981 1037307969 /nfs/dbraw/zinc/30/79/69/1037307969.db2.gz MPMPLYQFIYURQT-SFHVURJKSA-N 1 1 326.827 4.410 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000591267752 1037354304 /nfs/dbraw/zinc/35/43/04/1037354304.db2.gz KVPLHTXKDUEQKR-IBGZPJMESA-N 1 1 334.467 4.086 20 30 EIEDMO CCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000604503348 1037413979 /nfs/dbraw/zinc/41/39/79/1037413979.db2.gz DPZYBPPRFUVTAS-GOSISDBHSA-N 1 1 341.499 4.192 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294680 1037490500 /nfs/dbraw/zinc/49/05/00/1037490500.db2.gz HNIKBSLYKJBCLW-RTWAWAEBSA-N 1 1 338.426 4.358 20 30 EIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000157409546 1037490405 /nfs/dbraw/zinc/49/04/05/1037490405.db2.gz ZQBRATFPHZCMDJ-OLZOCXBDSA-N 1 1 328.435 4.369 20 30 EIEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000488570749 1037669640 /nfs/dbraw/zinc/66/96/40/1037669640.db2.gz DZESQBRXHIQWDH-UHFFFAOYSA-N 1 1 326.415 4.449 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1ccncc1C#N ZINC000592061524 1037722360 /nfs/dbraw/zinc/72/23/60/1037722360.db2.gz LTFQISYXQHICGA-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1ccncc1C#N ZINC000592061524 1037722373 /nfs/dbraw/zinc/72/23/73/1037722373.db2.gz LTFQISYXQHICGA-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000592096284 1037735707 /nfs/dbraw/zinc/73/57/07/1037735707.db2.gz KKYACMAJVNCHNR-UHFFFAOYSA-N 1 1 345.368 4.352 20 30 EIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000183931330 1037757706 /nfs/dbraw/zinc/75/77/06/1037757706.db2.gz HPUXVJWVZTWIID-UHFFFAOYSA-N 1 1 330.378 4.144 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)nc1 ZINC000573978818 1037800918 /nfs/dbraw/zinc/80/09/18/1037800918.db2.gz FLDKWKAOPDUUNH-UHFFFAOYSA-N 1 1 327.378 4.176 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)nc1 ZINC000573978818 1037800921 /nfs/dbraw/zinc/80/09/21/1037800921.db2.gz FLDKWKAOPDUUNH-UHFFFAOYSA-N 1 1 327.378 4.176 20 30 EIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000129371001 1037809360 /nfs/dbraw/zinc/80/93/60/1037809360.db2.gz XDBMZMFQGRLLEU-SJLPKXTDSA-N 1 1 345.874 4.194 20 30 EIEDMO C=CCCCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000488987061 1037827922 /nfs/dbraw/zinc/82/79/22/1037827922.db2.gz WIQUMCDCDHDIHR-YLJYHZDGSA-N 1 1 329.488 4.122 20 30 EIEDMO Cc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)ccc1C#N ZINC000489002737 1037835934 /nfs/dbraw/zinc/83/59/34/1037835934.db2.gz AWCMSBMSUUGOSJ-ZDUSSCGKSA-N 1 1 340.377 4.462 20 30 EIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058581584 1037872598 /nfs/dbraw/zinc/87/25/98/1037872598.db2.gz MJPZXOLDMKPTMG-MOPGFXCFSA-N 1 1 343.492 4.053 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000489441395 1038041529 /nfs/dbraw/zinc/04/15/29/1038041529.db2.gz UXRKZPRGDQIDIW-HNNXBMFYSA-N 1 1 344.480 4.368 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000489441395 1038041547 /nfs/dbraw/zinc/04/15/47/1038041547.db2.gz UXRKZPRGDQIDIW-HNNXBMFYSA-N 1 1 344.480 4.368 20 30 EIEDMO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235044 1038053244 /nfs/dbraw/zinc/05/32/44/1038053244.db2.gz GDYFYTSPIWKXGJ-VBKZILBWSA-N 1 1 325.431 4.171 20 30 EIEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000593649342 1038118582 /nfs/dbraw/zinc/11/85/82/1038118582.db2.gz APVGJHVVNIISDH-UHFFFAOYSA-N 1 1 325.368 4.028 20 30 EIEDMO C#CCCCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000150855740 1038180472 /nfs/dbraw/zinc/18/04/72/1038180472.db2.gz WPDCJOSPXXHFNY-UHFFFAOYSA-N 1 1 341.499 4.376 20 30 EIEDMO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679598 1038206814 /nfs/dbraw/zinc/20/68/14/1038206814.db2.gz MTWIIVNJYWCDRH-YADHBBJMSA-N 1 1 348.490 4.079 20 30 EIEDMO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1F ZINC000594020196 1038214623 /nfs/dbraw/zinc/21/46/23/1038214623.db2.gz ZSUANNRXFJKIGM-MRXNPFEDSA-N 1 1 345.443 4.055 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1noc2ccccc21 ZINC000593959136 1038228951 /nfs/dbraw/zinc/22/89/51/1038228951.db2.gz HAUPYOARYQWRAB-UYAOXDASSA-N 1 1 331.419 4.142 20 30 EIEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606816824 1038257175 /nfs/dbraw/zinc/25/71/75/1038257175.db2.gz OHSYFZCFGYXYJJ-HXUWFJFHSA-N 1 1 328.500 4.103 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504269442 1038304426 /nfs/dbraw/zinc/30/44/26/1038304426.db2.gz ACZLOEBVLMRJNA-KRWDZBQOSA-N 1 1 334.463 4.191 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504269442 1038304440 /nfs/dbraw/zinc/30/44/40/1038304440.db2.gz ACZLOEBVLMRJNA-KRWDZBQOSA-N 1 1 334.463 4.191 20 30 EIEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000504263672 1038308967 /nfs/dbraw/zinc/30/89/67/1038308967.db2.gz BQVKEXADTMVELN-SFHVURJKSA-N 1 1 326.484 4.398 20 30 EIEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000912828080 1038346310 /nfs/dbraw/zinc/34/63/10/1038346310.db2.gz LPIAZYVRXBRQCG-UHFFFAOYSA-N 1 1 332.245 4.351 20 30 EIEDMO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000594607639 1038380599 /nfs/dbraw/zinc/38/05/99/1038380599.db2.gz ZBVOOZACLYGWRX-UHFFFAOYSA-N 1 1 328.847 4.008 20 30 EIEDMO CC(C)N(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000063751245 1038814532 /nfs/dbraw/zinc/81/45/32/1038814532.db2.gz JZOUBMQWKCJGGP-UHFFFAOYSA-N 1 1 349.478 4.210 20 30 EIEDMO CC(C)N(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000063751245 1038814537 /nfs/dbraw/zinc/81/45/37/1038814537.db2.gz JZOUBMQWKCJGGP-UHFFFAOYSA-N 1 1 349.478 4.210 20 30 EIEDMO C=CCCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000117879106 1038823624 /nfs/dbraw/zinc/82/36/24/1038823624.db2.gz MSZQRFOCFMHIOA-UHFFFAOYSA-N 1 1 328.378 4.321 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000505057841 1038927582 /nfs/dbraw/zinc/92/75/82/1038927582.db2.gz MHSXDEDTSOAFER-KRWDZBQOSA-N 1 1 329.488 4.001 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000555174427 1038930950 /nfs/dbraw/zinc/93/09/50/1038930950.db2.gz QVJIDEGXRGKEGE-FQEVSTJZSA-N 1 1 340.511 4.151 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000539297538 1038947494 /nfs/dbraw/zinc/94/74/94/1038947494.db2.gz HAXHCUCZCXAVSM-CYBMUJFWSA-N 1 1 347.817 4.199 20 30 EIEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424740409 1039048870 /nfs/dbraw/zinc/04/88/70/1039048870.db2.gz RFWULDNYJDVPRC-VQTJNVASSA-N 1 1 340.511 4.102 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000600212968 1039375885 /nfs/dbraw/zinc/37/58/85/1039375885.db2.gz MLTBSQWUUSRJJM-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000600212968 1039375892 /nfs/dbraw/zinc/37/58/92/1039375892.db2.gz MLTBSQWUUSRJJM-UHFFFAOYSA-N 1 1 339.252 4.276 20 30 EIEDMO N#Cc1cccc(COc2cccc(Cn3c[nH+]c4c3CCCC4)c2)c1 ZINC000600179140 1039354050 /nfs/dbraw/zinc/35/40/50/1039354050.db2.gz KDYNJKZFVXTEMD-UHFFFAOYSA-N 1 1 343.430 4.261 20 30 EIEDMO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000478049919 1039371598 /nfs/dbraw/zinc/37/15/98/1039371598.db2.gz YXHOGAIQRKGSJR-UHFFFAOYSA-N 1 1 344.842 4.219 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCCC3(CC3)CC2)c(-c2ccccc2)n1 ZINC000600215789 1039389064 /nfs/dbraw/zinc/38/90/64/1039389064.db2.gz NQBQWKZUQFECQO-UHFFFAOYSA-N 1 1 334.467 4.230 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc(F)c(F)c1 ZINC000481578982 1039594623 /nfs/dbraw/zinc/59/46/23/1039594623.db2.gz FYJFMHRPVKMHOJ-HXUWFJFHSA-N 1 1 348.437 4.105 20 30 EIEDMO CCC(CC)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000514116860 1039627655 /nfs/dbraw/zinc/62/76/55/1039627655.db2.gz MXFYPNANDBIYKJ-UHFFFAOYSA-N 1 1 347.528 4.195 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000514113549 1039628056 /nfs/dbraw/zinc/62/80/56/1039628056.db2.gz VLZCPTQYHLNDPK-UHFFFAOYSA-N 1 1 344.503 4.008 20 30 EIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364964 1039669962 /nfs/dbraw/zinc/66/99/62/1039669962.db2.gz NOSRDWFKAONKPL-SCLBCKFNSA-N 1 1 341.480 4.252 20 30 EIEDMO C=C[C@@H](CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736084 1039757012 /nfs/dbraw/zinc/75/70/12/1039757012.db2.gz UYLRCJRNQJXHFI-RXVVDRJESA-N 1 1 346.474 4.358 20 30 EIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868665 1039761337 /nfs/dbraw/zinc/76/13/37/1039761337.db2.gz XGYYJERXAJXSAV-IEBWSBKVSA-N 1 1 332.513 4.475 20 30 EIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093845391 1039763435 /nfs/dbraw/zinc/76/34/35/1039763435.db2.gz VEFYSDKIMCJHCO-OAQYLSRUSA-N 1 1 337.467 4.435 20 30 EIEDMO COc1cc(C[N@H+](CC#Cc2ccccc2Cl)C2CC2)ccc1O ZINC000534865002 1039819609 /nfs/dbraw/zinc/81/96/09/1039819609.db2.gz AAQXRBDFZNPNCY-UHFFFAOYSA-N 1 1 341.838 4.070 20 30 EIEDMO COc1cc(C[N@@H+](CC#Cc2ccccc2Cl)C2CC2)ccc1O ZINC000534865002 1039819610 /nfs/dbraw/zinc/81/96/10/1039819610.db2.gz AAQXRBDFZNPNCY-UHFFFAOYSA-N 1 1 341.838 4.070 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000537648864 1039826790 /nfs/dbraw/zinc/82/67/90/1039826790.db2.gz WKUWIYQAGIKSJB-IBGZPJMESA-N 1 1 332.451 4.049 20 30 EIEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCC2 ZINC000430083803 1039832713 /nfs/dbraw/zinc/83/27/13/1039832713.db2.gz ICKMTTWZEBSXTB-NRFANRHFSA-N 1 1 348.494 4.474 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3c3ccc(F)cc3)n2c1 ZINC000537649669 1039832988 /nfs/dbraw/zinc/83/29/88/1039832988.db2.gz URSJUVLJHSGGSJ-IBGZPJMESA-N 1 1 334.398 4.072 20 30 EIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3c3ccc(F)cc3)n2c1 ZINC000537649669 1039832990 /nfs/dbraw/zinc/83/29/90/1039832990.db2.gz URSJUVLJHSGGSJ-IBGZPJMESA-N 1 1 334.398 4.072 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157691666 1039842191 /nfs/dbraw/zinc/84/21/91/1039842191.db2.gz YUYJWFLFPDFXIH-KRWDZBQOSA-N 1 1 334.341 4.102 20 30 EIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000478707530 1039872370 /nfs/dbraw/zinc/87/23/70/1039872370.db2.gz XWIVQXMKMLTNLQ-GOSISDBHSA-N 1 1 340.511 4.424 20 30 EIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)ccc1OC ZINC000535067331 1039929359 /nfs/dbraw/zinc/92/93/59/1039929359.db2.gz NSABMUJMIOGVOK-IBGZPJMESA-N 1 1 338.451 4.382 20 30 EIEDMO C=C(C)C[C@@H](C)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553260246 1040077850 /nfs/dbraw/zinc/07/78/50/1040077850.db2.gz DRUDELLQMSAODA-MRXNPFEDSA-N 1 1 335.451 4.185 20 30 EIEDMO C=C[C@@H](CC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000535333552 1040194046 /nfs/dbraw/zinc/19/40/46/1040194046.db2.gz SOPLNEIVROWIJB-SFHVURJKSA-N 1 1 328.500 4.117 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000482500437 1040299823 /nfs/dbraw/zinc/29/98/23/1040299823.db2.gz AMZVIAPYYSVOPB-XYPHTWIQSA-N 1 1 346.496 4.095 20 30 EIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000482500437 1040299840 /nfs/dbraw/zinc/29/98/40/1040299840.db2.gz AMZVIAPYYSVOPB-XYPHTWIQSA-N 1 1 346.496 4.095 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551734076 1040545122 /nfs/dbraw/zinc/54/51/22/1040545122.db2.gz ODLABQGTWXPOKE-QFIPXVFZSA-N 1 1 332.447 4.223 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609056 1040608286 /nfs/dbraw/zinc/60/82/86/1040608286.db2.gz BZIWNHQHEDFWML-TWOQFEAHSA-N 1 1 337.442 4.011 20 30 EIEDMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609056 1040608296 /nfs/dbraw/zinc/60/82/96/1040608296.db2.gz BZIWNHQHEDFWML-TWOQFEAHSA-N 1 1 337.442 4.011 20 30 EIEDMO Cn1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)cc1C#N ZINC000483155912 1040741216 /nfs/dbraw/zinc/74/12/16/1040741216.db2.gz KIUJAPLKAYHLLY-UHFFFAOYSA-N 1 1 333.410 4.238 20 30 EIEDMO Cn1cc(C[N@@H+](CCc2ccccc2F)C2CCCC2)cc1C#N ZINC000483156345 1040743212 /nfs/dbraw/zinc/74/32/12/1040743212.db2.gz KONKFQRDBMTBBZ-UHFFFAOYSA-N 1 1 325.431 4.023 20 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N#Cc1cc(F)ccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000554264428 1040925759 /nfs/dbraw/zinc/92/57/59/1040925759.db2.gz QJINRIKHGIEREA-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000554264428 1040925773 /nfs/dbraw/zinc/92/57/73/1040925773.db2.gz QJINRIKHGIEREA-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cnn(CC2CCC2)c1 ZINC000903148936 1040936963 /nfs/dbraw/zinc/93/69/63/1040936963.db2.gz YGKBECOIBDQQBK-KGLIPLIRSA-N 1 1 326.419 4.106 20 30 EIEDMO N#Cc1cccc(Cl)c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000462818212 1040995416 /nfs/dbraw/zinc/99/54/16/1040995416.db2.gz VMNIWJNZZVTBIC-QGZVFWFLSA-N 1 1 339.870 4.188 20 30 EIEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000425510317 1041057625 /nfs/dbraw/zinc/05/76/25/1041057625.db2.gz JTDRMKOTYWTYLQ-UHFFFAOYSA-N 1 1 344.842 4.254 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC000540055147 1041076589 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EIEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCCCC1 ZINC000484518920 1041307722 /nfs/dbraw/zinc/30/77/22/1041307722.db2.gz WXQYONJIZYBGQD-UHFFFAOYSA-N 1 1 345.874 4.218 20 30 EIEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857414 1041321109 /nfs/dbraw/zinc/32/11/09/1041321109.db2.gz UIIUVXFCOGASEP-AWEZNQCLSA-N 1 1 343.833 4.234 20 30 EIEDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000480535817 1041370032 /nfs/dbraw/zinc/37/00/32/1041370032.db2.gz KNEQXBNJRKFQDW-SFTDATJTSA-N 1 1 332.447 4.340 20 30 EIEDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000480535817 1041370043 /nfs/dbraw/zinc/37/00/43/1041370043.db2.gz KNEQXBNJRKFQDW-SFTDATJTSA-N 1 1 332.447 4.340 20 30 EIEDMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189529 1041406450 /nfs/dbraw/zinc/40/64/50/1041406450.db2.gz ARSPZKHXYWPKNM-SLFFLAALSA-N 1 1 331.887 4.097 20 30 EIEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000516307785 1041512938 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C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000516690450 1041710178 /nfs/dbraw/zinc/71/01/78/1041710178.db2.gz PJPJWWRSQMRYHQ-AMHTUMDSSA-N 1 1 345.490 4.046 20 30 EIEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@H]21 ZINC000541112082 1041819388 /nfs/dbraw/zinc/81/93/88/1041819388.db2.gz LMYCDFXGHKSGBB-FUHIMQAGSA-N 1 1 349.478 4.248 20 30 EIEDMO Cc1ccc2cc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)ccc2n1 ZINC000517036946 1041844411 /nfs/dbraw/zinc/84/44/11/1041844411.db2.gz CSMMLUORSDOKFK-UHFFFAOYSA-N 1 1 345.446 4.064 20 30 EIEDMO N#CCc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000541348947 1041899586 /nfs/dbraw/zinc/89/95/86/1041899586.db2.gz KVMFDXKCAGWSOJ-UHFFFAOYSA-N 1 1 336.279 4.069 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000541348947 1041899588 /nfs/dbraw/zinc/89/95/88/1041899588.db2.gz KVMFDXKCAGWSOJ-UHFFFAOYSA-N 1 1 336.279 4.069 20 30 EIEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000438057946 1042033313 /nfs/dbraw/zinc/03/33/13/1042033313.db2.gz WBJQMIKUBCZIJV-UWJYYQICSA-N 1 1 344.499 4.086 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)c1C#N ZINC000517593757 1042086730 /nfs/dbraw/zinc/08/67/30/1042086730.db2.gz NPGFBHJKLHSOQH-HNNXBMFYSA-N 1 1 334.419 4.070 20 30 EIEDMO COC(=O)c1cccc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)c1C#N ZINC000517593757 1042086738 /nfs/dbraw/zinc/08/67/38/1042086738.db2.gz NPGFBHJKLHSOQH-HNNXBMFYSA-N 1 1 334.419 4.070 20 30 EIEDMO Cc1ccc(CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)cc1 ZINC000464779775 1042160166 /nfs/dbraw/zinc/16/01/66/1042160166.db2.gz PTRRJZXGSKZTSV-QFIPXVFZSA-N 1 1 334.463 4.090 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2ccc(CC#N)cc2)ccc1SC ZINC000542202586 1042332885 /nfs/dbraw/zinc/33/28/85/1042332885.db2.gz OVCSVRVQGBXCHZ-UHFFFAOYSA-N 1 1 326.465 4.115 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1OC ZINC000506352644 1042343674 /nfs/dbraw/zinc/34/36/74/1042343674.db2.gz JKAVLMDTHCULPX-UHFFFAOYSA-N 1 1 333.378 4.170 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1OC ZINC000506352644 1042343682 /nfs/dbraw/zinc/34/36/82/1042343682.db2.gz JKAVLMDTHCULPX-UHFFFAOYSA-N 1 1 333.378 4.170 20 30 EIEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426374824 1042612148 /nfs/dbraw/zinc/61/21/48/1042612148.db2.gz ZCBVVMZXVYKFNW-SFHVURJKSA-N 1 1 332.369 4.233 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)CC(C)(C)CCC#N ZINC000426388841 1042631260 /nfs/dbraw/zinc/63/12/60/1042631260.db2.gz JACNOAVUKZWCNW-UHFFFAOYSA-N 1 1 327.241 4.350 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448228 1042632812 /nfs/dbraw/zinc/63/28/12/1042632812.db2.gz ZVLSGUYEVKLGRT-WMZOPIPTSA-N 1 1 345.918 4.298 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c(Cl)c1 ZINC000439446818 1042633431 /nfs/dbraw/zinc/63/34/31/1042633431.db2.gz XVRNWTMNDXCIPD-MRXNPFEDSA-N 1 1 326.827 4.113 20 30 EIEDMO CC(C)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000174842364 1042715347 /nfs/dbraw/zinc/71/53/47/1042715347.db2.gz JWCJHDUGXNWYKX-UHFFFAOYSA-N 1 1 337.467 4.391 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177470 1042720874 /nfs/dbraw/zinc/72/08/74/1042720874.db2.gz QNTGLWTZCBYZNP-ZDUSSCGKSA-N 1 1 329.469 4.087 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177470 1042720881 /nfs/dbraw/zinc/72/08/81/1042720881.db2.gz QNTGLWTZCBYZNP-ZDUSSCGKSA-N 1 1 329.469 4.087 20 30 EIEDMO Cc1cc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)ccc1C#N ZINC000443992114 1042735253 /nfs/dbraw/zinc/73/52/53/1042735253.db2.gz WJJYHFLCEVBDNF-NRFANRHFSA-N 1 1 331.394 4.280 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002744 1042740492 /nfs/dbraw/zinc/74/04/92/1042740492.db2.gz PZRKRFXCJMPHKQ-PGRDOPGGSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002744 1042740502 /nfs/dbraw/zinc/74/05/02/1042740502.db2.gz PZRKRFXCJMPHKQ-PGRDOPGGSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CNc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000444002095 1042745747 /nfs/dbraw/zinc/74/57/47/1042745747.db2.gz JAWOYJOXRZPJDX-HDICACEKSA-N 1 1 349.478 4.088 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1)C(C)C ZINC000176575851 1042812357 /nfs/dbraw/zinc/81/23/57/1042812357.db2.gz UNRSZTWHTYKZPH-HXUWFJFHSA-N 1 1 341.499 4.119 20 30 EIEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000130299950 1042822999 /nfs/dbraw/zinc/82/29/99/1042822999.db2.gz ZWFFZSIVRWPZMB-HOJAQTOUSA-N 1 1 343.515 4.066 20 30 EIEDMO CCCc1ccc([C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000152519964 1042892040 /nfs/dbraw/zinc/89/20/40/1042892040.db2.gz OKNCYMCRYJHHOH-SFTDATJTSA-N 1 1 349.478 4.024 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC000152680315 1042944263 /nfs/dbraw/zinc/94/42/63/1042944263.db2.gz BKQQTFDDSJCZGH-CQSZACIVSA-N 1 1 349.356 4.071 20 30 EIEDMO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006631 1043005063 /nfs/dbraw/zinc/00/50/63/1043005063.db2.gz NVCPRQJQHVSDIO-UDKICSLYSA-N 1 1 333.479 4.282 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609166838 1043024755 /nfs/dbraw/zinc/02/47/55/1043024755.db2.gz MGDGIZYTGWJAFB-IBGZPJMESA-N 1 1 349.434 4.163 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000067456973 1043125388 /nfs/dbraw/zinc/12/53/88/1043125388.db2.gz BBZCEDCJIKSFSI-UHFFFAOYSA-N 1 1 326.227 4.441 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000067456973 1043125392 /nfs/dbraw/zinc/12/53/92/1043125392.db2.gz BBZCEDCJIKSFSI-UHFFFAOYSA-N 1 1 326.227 4.441 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000487407589 1043258335 /nfs/dbraw/zinc/25/83/35/1043258335.db2.gz BYKSWDRJATYCGU-IBGZPJMESA-N 1 1 326.484 4.411 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C#N)ccc1OC)CCC2 ZINC000133417316 1043262973 /nfs/dbraw/zinc/26/29/73/1043262973.db2.gz GIPNDCMXWPPAPL-INIZCTEOSA-N 1 1 341.480 4.095 20 30 EIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1OC)CCC2 ZINC000133417316 1043262986 /nfs/dbraw/zinc/26/29/86/1043262986.db2.gz GIPNDCMXWPPAPL-INIZCTEOSA-N 1 1 341.480 4.095 20 30 EIEDMO C=C(CC)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543542607 1043286069 /nfs/dbraw/zinc/28/60/69/1043286069.db2.gz KCHCGJFAIJLCCM-LLVKDONJSA-N 1 1 336.233 4.116 20 30 EIEDMO N#Cc1ccc(-c2ccn(C[N@@H+](CC3CC3)C3CCCCC3)n2)cc1 ZINC000727825088 1043309852 /nfs/dbraw/zinc/30/98/52/1043309852.db2.gz VGDYUDAWBYSDRP-UHFFFAOYSA-N 1 1 334.467 4.424 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000442006525 1043456457 /nfs/dbraw/zinc/45/64/57/1043456457.db2.gz WMRSRLXQZNHDOS-UHFFFAOYSA-N 1 1 346.272 4.304 20 30 EIEDMO C#CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CCCCC1 ZINC000730258222 1043485634 /nfs/dbraw/zinc/48/56/34/1043485634.db2.gz FYEFSYBLTKKOCQ-UHFFFAOYSA-N 1 1 329.831 4.158 20 30 EIEDMO C#CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CCCCC1 ZINC000730258222 1043485643 /nfs/dbraw/zinc/48/56/43/1043485643.db2.gz FYEFSYBLTKKOCQ-UHFFFAOYSA-N 1 1 329.831 4.158 20 30 EIEDMO C=CCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC1 ZINC000189462931 1043574200 /nfs/dbraw/zinc/57/42/00/1043574200.db2.gz NLEGGDVJHQEFOK-SFHVURJKSA-N 1 1 332.532 4.236 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1)C(C)C ZINC000189902212 1043656254 /nfs/dbraw/zinc/65/62/54/1043656254.db2.gz ZHIPMDHGBUOKEI-UHFFFAOYSA-N 1 1 343.515 4.461 20 30 EIEDMO C[C@H]1Cc2cc(-c3ccc(C[NH2+]C[C@H](C#N)CCC#N)cc3)ccc2O1 ZINC000521280291 1043678984 /nfs/dbraw/zinc/67/89/84/1043678984.db2.gz UFJVLBRKUXSGHA-WMZOPIPTSA-N 1 1 345.446 4.210 20 30 EIEDMO C[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000682516480 1043824984 /nfs/dbraw/zinc/82/49/84/1043824984.db2.gz IWTAXYGCALUVLA-UHFFFAOYSA-N 1 1 347.274 4.054 20 30 EIEDMO COc1cc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000442809510 1043851784 /nfs/dbraw/zinc/85/17/84/1043851784.db2.gz KPCJTNYECDUJFX-UHFFFAOYSA-N 1 1 334.341 4.218 20 30 EIEDMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)ccc1C#N ZINC000442889431 1043886518 /nfs/dbraw/zinc/88/65/18/1043886518.db2.gz KEXOPUYSPPKZLD-GOSISDBHSA-N 1 1 347.418 4.435 20 30 EIEDMO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)ccc1C#N ZINC000442889431 1043886522 /nfs/dbraw/zinc/88/65/22/1043886522.db2.gz KEXOPUYSPPKZLD-GOSISDBHSA-N 1 1 347.418 4.435 20 30 EIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 ZINC000265826575 1043893814 /nfs/dbraw/zinc/89/38/14/1043893814.db2.gz AUESIUKYEOULKX-UHFFFAOYSA-N 1 1 335.451 4.089 20 30 EIEDMO C=C(Br)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000732410913 1043920560 /nfs/dbraw/zinc/92/05/60/1043920560.db2.gz MSEXYBSRQWTDSM-UHFFFAOYSA-N 1 1 337.236 4.395 20 30 EIEDMO C=CC[N@H+](CCSc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000195729783 1044225272 /nfs/dbraw/zinc/22/52/72/1044225272.db2.gz JVHQJCBITUSQGB-UHFFFAOYSA-N 1 1 326.440 4.478 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)o1 ZINC000174255113 1044240606 /nfs/dbraw/zinc/24/06/06/1044240606.db2.gz DVDRGYUKRCZDBF-UHFFFAOYSA-N 1 1 336.366 4.159 20 30 EIEDMO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)cc1 ZINC000174283329 1044247285 /nfs/dbraw/zinc/24/72/85/1044247285.db2.gz RHUWFUCIWUJDIM-UHFFFAOYSA-N 1 1 345.402 4.002 20 30 EIEDMO N#Cc1ccc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)o1 ZINC000174319817 1044259042 /nfs/dbraw/zinc/25/90/42/1044259042.db2.gz LEAZQEAVGOACTG-IBGZPJMESA-N 1 1 336.366 4.200 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000347960604 1044341419 /nfs/dbraw/zinc/34/14/19/1044341419.db2.gz QESSFNQYIIJRTD-UHFFFAOYSA-N 1 1 340.430 4.033 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000466397951 1044385928 /nfs/dbraw/zinc/38/59/28/1044385928.db2.gz HBXVAWMNTDAONK-IBGZPJMESA-N 1 1 337.552 4.131 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000766192531 1044400363 /nfs/dbraw/zinc/40/03/63/1044400363.db2.gz TVXRIQLSMRTCBT-CABCVRRESA-N 1 1 327.399 4.258 20 30 EIEDMO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1F ZINC000735306554 1044783002 /nfs/dbraw/zinc/78/30/02/1044783002.db2.gz PJOPOUJHDWAGOI-UHFFFAOYSA-N 1 1 348.805 4.022 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1F ZINC000735306554 1044783010 /nfs/dbraw/zinc/78/30/10/1044783010.db2.gz PJOPOUJHDWAGOI-UHFFFAOYSA-N 1 1 348.805 4.022 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309887 1044797453 /nfs/dbraw/zinc/79/74/53/1044797453.db2.gz MUWAEZNKLYLUIV-UHFFFAOYSA-N 1 1 340.854 4.473 20 30 EIEDMO CC(N=Nc1cccc(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609486 1044841659 /nfs/dbraw/zinc/84/16/59/1044841659.db2.gz UXGDWYRJVQGLAM-LJQANCHMSA-N 1 1 343.858 4.029 20 30 EIEDMO CC(N=Nc1cccc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609486 1044841662 /nfs/dbraw/zinc/84/16/62/1044841662.db2.gz UXGDWYRJVQGLAM-LJQANCHMSA-N 1 1 343.858 4.029 20 30 EIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OCC ZINC000428294217 1044877982 /nfs/dbraw/zinc/87/79/82/1044877982.db2.gz DYYGEDVCAPYSCF-AWEZNQCLSA-N 1 1 342.414 4.346 20 30 EIEDMO C=C(Cl)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000735925601 1044878938 /nfs/dbraw/zinc/87/89/38/1044878938.db2.gz LLIZEHPGBUNUEQ-UHFFFAOYSA-N 1 1 335.234 4.434 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)cc1F ZINC000543599506 1044888837 /nfs/dbraw/zinc/88/88/37/1044888837.db2.gz XSPJBBLEKBLNAP-LLVKDONJSA-N 1 1 330.790 4.136 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800111 1044893940 /nfs/dbraw/zinc/89/39/40/1044893940.db2.gz ATYUHAFVIOMWJM-NRFANRHFSA-N 1 1 340.467 4.206 20 30 EIEDMO N#Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027236804 1045171733 /nfs/dbraw/zinc/17/17/33/1045171733.db2.gz NGLSLWVNCHZIFM-UHFFFAOYSA-N 1 1 334.419 4.232 20 30 EIEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000739929621 1045175863 /nfs/dbraw/zinc/17/58/63/1045175863.db2.gz FPNVYODYZVKBCJ-MRXNPFEDSA-N 1 1 326.278 4.161 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(C)(C)C#N)C2)C1 ZINC000495588359 1045222448 /nfs/dbraw/zinc/22/24/48/1045222448.db2.gz LZXHISNPUZCODR-FQEVSTJZSA-N 1 1 349.519 4.039 20 30 EIEDMO CCOc1ccc(O)c(/C=N\Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000915270827 1045227749 /nfs/dbraw/zinc/22/77/49/1045227749.db2.gz CBPCYHCMJHUQCF-HMAPJEAMSA-N 1 1 340.467 4.250 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000740873674 1045233778 /nfs/dbraw/zinc/23/37/78/1045233778.db2.gz UQPYJBBHGNFPCV-UHFFFAOYSA-N 1 1 348.446 4.043 20 30 EIEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000740874386 1045235241 /nfs/dbraw/zinc/23/52/41/1045235241.db2.gz HFQIEIXSBZLDMS-INIZCTEOSA-N 1 1 325.518 4.443 20 30 EIEDMO C[C@H](C#N)C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000611091452 1045252242 /nfs/dbraw/zinc/25/22/42/1045252242.db2.gz CUINNFSJMZAKSX-CQSZACIVSA-N 1 1 340.389 4.488 20 30 EIEDMO C=CC[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477595 1045254874 /nfs/dbraw/zinc/25/48/74/1045254874.db2.gz VMPRVQGIVMTPBG-SFTDATJTSA-N 1 1 335.495 4.342 20 30 EIEDMO C=CC[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477595 1045254880 /nfs/dbraw/zinc/25/48/80/1045254880.db2.gz VMPRVQGIVMTPBG-SFTDATJTSA-N 1 1 335.495 4.342 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256332 1045267159 /nfs/dbraw/zinc/26/71/59/1045267159.db2.gz ULXAONYXSWLXCY-INIZCTEOSA-N 1 1 347.462 4.034 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371290 1045290036 /nfs/dbraw/zinc/29/00/36/1045290036.db2.gz JEUCGCKNZYSTIX-TZIWHRDSSA-N 1 1 338.426 4.297 20 30 EIEDMO COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)on1 ZINC000611387559 1045294631 /nfs/dbraw/zinc/29/46/31/1045294631.db2.gz PXUZHVJVLKDQDR-AWEZNQCLSA-N 1 1 333.391 4.073 20 30 EIEDMO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000611388231 1045295747 /nfs/dbraw/zinc/29/57/47/1045295747.db2.gz LZBUMKFHTIOHRS-OAHLLOKOSA-N 1 1 347.418 4.463 20 30 EIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000611394710 1045300674 /nfs/dbraw/zinc/30/06/74/1045300674.db2.gz XZKZQABQHVSBGC-MRXNPFEDSA-N 1 1 334.316 4.282 20 30 EIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc3c(c2)COC3)c2ccccn21 ZINC000762601018 1045311187 /nfs/dbraw/zinc/31/11/87/1045311187.db2.gz XLJNIWVEHFWQOH-CMDGGOBGSA-N 1 1 332.403 4.384 20 30 EIEDMO CC1(C)C[C@H](NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000611476002 1045315835 /nfs/dbraw/zinc/31/58/35/1045315835.db2.gz SSSYQVPWTNTSJT-NRFANRHFSA-N 1 1 345.490 4.190 20 30 EIEDMO CC1(C)C[C@H](NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000611476002 1045315844 /nfs/dbraw/zinc/31/58/44/1045315844.db2.gz SSSYQVPWTNTSJT-NRFANRHFSA-N 1 1 345.490 4.190 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509685 1045318729 /nfs/dbraw/zinc/31/87/29/1045318729.db2.gz AJZIBMFQCNNYAL-MSOLQXFVSA-N 1 1 348.494 4.197 20 30 EIEDMO CC[N@@H+](Cc1cnc(OC)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533558719 1045574344 /nfs/dbraw/zinc/57/43/44/1045574344.db2.gz ORFARYNVZVDMDG-ZDUSSCGKSA-N 1 1 329.831 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EIEDMO C#CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCc2ccccc21 ZINC000772600171 1046683065 /nfs/dbraw/zinc/68/30/65/1046683065.db2.gz WFJIMZRETCMWGC-HXUWFJFHSA-N 1 1 345.471 4.328 20 30 EIEDMO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCc2ccccc21 ZINC000772600171 1046683080 /nfs/dbraw/zinc/68/30/80/1046683080.db2.gz WFJIMZRETCMWGC-HXUWFJFHSA-N 1 1 345.471 4.328 20 30 EIEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000536698451 1046694749 /nfs/dbraw/zinc/69/47/49/1046694749.db2.gz ZSWWAYFGUYUCSD-BEFAXECRSA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000536698451 1046694758 /nfs/dbraw/zinc/69/47/58/1046694758.db2.gz ZSWWAYFGUYUCSD-BEFAXECRSA-N 1 1 329.465 4.275 20 30 EIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697118 1046694881 /nfs/dbraw/zinc/69/48/81/1046694881.db2.gz JYRLHYMOEULTEY-QFIPXVFZSA-N 1 1 344.462 4.051 20 30 EIEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000459480460 1046707039 /nfs/dbraw/zinc/70/70/39/1046707039.db2.gz MBTAIZLEMFAQTC-UHFFFAOYSA-N 1 1 336.483 4.077 20 30 EIEDMO COc1ccc2cc(C[N@@H+](C)CCOc3ccccc3C#N)ccc2c1 ZINC000497590762 1046875126 /nfs/dbraw/zinc/87/51/26/1046875126.db2.gz NIQHGVVPOMVHTO-UHFFFAOYSA-N 1 1 346.430 4.231 20 30 EIEDMO CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497593518 1046876020 /nfs/dbraw/zinc/87/60/20/1046876020.db2.gz DCNUCDKZQKSJQH-GOSISDBHSA-N 1 1 349.478 4.383 20 30 EIEDMO CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497593518 1046876026 /nfs/dbraw/zinc/87/60/26/1046876026.db2.gz DCNUCDKZQKSJQH-GOSISDBHSA-N 1 1 349.478 4.383 20 30 EIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000026363476 1046882527 /nfs/dbraw/zinc/88/25/27/1046882527.db2.gz XCXNMQHNDWUOHQ-RYUDHWBXSA-N 1 1 345.830 4.099 20 30 EIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000497613099 1046891579 /nfs/dbraw/zinc/89/15/79/1046891579.db2.gz VXLJHVZBLVQEAQ-KXBFYZLASA-N 1 1 336.435 4.318 20 30 EIEDMO CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617780 1046893083 /nfs/dbraw/zinc/89/30/83/1046893083.db2.gz BFCLKXLGCZXYBO-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617780 1046893091 /nfs/dbraw/zinc/89/30/91/1046893091.db2.gz BFCLKXLGCZXYBO-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000917458058 1046898226 /nfs/dbraw/zinc/89/82/26/1046898226.db2.gz QOINTGJADRYFHA-UHFFFAOYSA-N 1 1 340.377 4.056 20 30 EIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000128585984 1046974610 /nfs/dbraw/zinc/97/46/10/1046974610.db2.gz SYSGUXBKCIQYDN-PKOBYXMFSA-N 1 1 343.446 4.070 20 30 EIEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000746665502 1046976398 /nfs/dbraw/zinc/97/63/98/1046976398.db2.gz CKCNJFPZQXYMCE-CVEARBPZSA-N 1 1 337.508 4.084 20 30 EIEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746679927 1047006537 /nfs/dbraw/zinc/00/65/37/1047006537.db2.gz RNEZFVXAVCDGMK-SFHVURJKSA-N 1 1 343.858 4.308 20 30 EIEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746679927 1047006521 /nfs/dbraw/zinc/00/65/21/1047006521.db2.gz RNEZFVXAVCDGMK-SFHVURJKSA-N 1 1 343.858 4.308 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000788560907 1047225499 /nfs/dbraw/zinc/22/54/99/1047225499.db2.gz CIAPCOASDZOXOM-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO C#CCCOc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788533395 1047231834 /nfs/dbraw/zinc/23/18/34/1047231834.db2.gz YFKUUTYZIDODOG-UHFFFAOYSA-N 1 1 335.781 4.310 20 30 EIEDMO CC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H](C)C#N ZINC000747328223 1047254663 /nfs/dbraw/zinc/25/46/63/1047254663.db2.gz ZUZBBIAAHLFGCY-LBPRGKRZSA-N 1 1 347.256 4.289 20 30 EIEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000385763486 1047399088 /nfs/dbraw/zinc/39/90/88/1047399088.db2.gz ZRQNLVWBHCTNPV-KRWDZBQOSA-N 1 1 347.462 4.188 20 30 EIEDMO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]Cc1nc(C#N)cs1 ZINC000897629282 1047403273 /nfs/dbraw/zinc/40/32/73/1047403273.db2.gz IYCVKHDIPNFARN-IZZDOVSWSA-N 1 1 337.370 4.227 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282075211 1047410494 /nfs/dbraw/zinc/41/04/94/1047410494.db2.gz TXWXIDYOCONCPA-FQEVSTJZSA-N 1 1 328.500 4.430 20 30 EIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000154774705 1047556225 /nfs/dbraw/zinc/55/62/25/1047556225.db2.gz QBHMPWIMIFROLO-MRXNPFEDSA-N 1 1 332.403 4.204 20 30 EIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001168285539 1047605110 /nfs/dbraw/zinc/60/51/10/1047605110.db2.gz UZQHWNYZFKQALX-NZQKXSOJSA-N 1 1 348.490 4.327 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000108355651 1047797664 /nfs/dbraw/zinc/79/76/64/1047797664.db2.gz HNEZDRROYZCHBK-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2nccc(Cl)n2)cc1 ZINC001170548750 1047861533 /nfs/dbraw/zinc/86/15/33/1047861533.db2.gz MYPRDVDMMVCZMU-MRXNPFEDSA-N 1 1 328.847 4.065 20 30 EIEDMO C[N@H+]1CCCC[C@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064816 1047920764 /nfs/dbraw/zinc/92/07/64/1047920764.db2.gz OAKRQPMXLRMEGB-UXHICEINSA-N 1 1 332.451 4.209 20 30 EIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988766 1048034842 /nfs/dbraw/zinc/03/48/42/1048034842.db2.gz SBLFYYWCDFXFOS-SFHVURJKSA-N 1 1 349.409 4.222 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697336 1048052338 /nfs/dbraw/zinc/05/23/38/1048052338.db2.gz XCIANQZVTQJYTN-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697336 1048052357 /nfs/dbraw/zinc/05/23/57/1048052357.db2.gz XCIANQZVTQJYTN-OAGGEKHMSA-N 1 1 345.512 4.140 20 30 EIEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770965 1048058315 /nfs/dbraw/zinc/05/83/15/1048058315.db2.gz YGVQSXWOSUQSGT-IRXDYDNUSA-N 1 1 329.488 4.026 20 30 EIEDMO Cc1cc(Cl)cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000556862803 1048081095 /nfs/dbraw/zinc/08/10/95/1048081095.db2.gz GJCGBJHVISNKCY-UHFFFAOYSA-N 1 1 325.843 4.101 20 30 EIEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000815060903 1048314858 /nfs/dbraw/zinc/31/48/58/1048314858.db2.gz FSAZULNJMMFKMH-JYJNAYRXSA-N 1 1 334.895 4.330 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000919935366 1048316671 /nfs/dbraw/zinc/31/66/71/1048316671.db2.gz DSNKNBKJWQYOJJ-UHFFFAOYSA-N 1 1 329.415 4.291 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844441421 1048338854 /nfs/dbraw/zinc/33/88/54/1048338854.db2.gz YUOBLRTVKBUBAA-HNNXBMFYSA-N 1 1 329.312 4.178 20 30 EIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844441422 1048340184 /nfs/dbraw/zinc/34/01/84/1048340184.db2.gz YUOBLRTVKBUBAA-OAHLLOKOSA-N 1 1 329.312 4.178 20 30 EIEDMO N#Cc1cncc(C[N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001144079334 1048409749 /nfs/dbraw/zinc/40/97/49/1048409749.db2.gz JIOFZIILASOPLX-AWEZNQCLSA-N 1 1 332.234 4.250 20 30 EIEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001144079334 1048409756 /nfs/dbraw/zinc/40/97/56/1048409756.db2.gz JIOFZIILASOPLX-AWEZNQCLSA-N 1 1 332.234 4.250 20 30 EIEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170785329 1048461754 /nfs/dbraw/zinc/46/17/54/1048461754.db2.gz ZNFWGAASNAXMKH-UHFFFAOYSA-N 1 1 325.839 4.365 20 30 EIEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170785329 1048461761 /nfs/dbraw/zinc/46/17/61/1048461761.db2.gz ZNFWGAASNAXMKH-UHFFFAOYSA-N 1 1 325.839 4.365 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)cc1O)c1ccc(Cl)cc1F ZINC000809700060 1048466426 /nfs/dbraw/zinc/46/64/26/1048466426.db2.gz WSFNYNZDZUJWCT-KRWDZBQOSA-N 1 1 333.790 4.048 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144163249 1048471676 /nfs/dbraw/zinc/47/16/76/1048471676.db2.gz XCTCJFASWONLLN-AWEZNQCLSA-N 1 1 332.234 4.250 20 30 EIEDMO CCOc1ccc(/C=N\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174423 1048572010 /nfs/dbraw/zinc/57/20/10/1048572010.db2.gz MAZBELMETRWCPA-KDNRWNGDSA-N 1 1 338.451 4.045 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810035147 1048616008 /nfs/dbraw/zinc/61/60/08/1048616008.db2.gz ZYFGILPOYYHGGM-GOSISDBHSA-N 1 1 349.519 4.230 20 30 EIEDMO C#Cc1ccc(C[N@H+](CCC)[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC001144579008 1048729687 /nfs/dbraw/zinc/72/96/87/1048729687.db2.gz VOKWMVMNMZLFPJ-SFHVURJKSA-N 1 1 334.463 4.216 20 30 EIEDMO C=C(C)CC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000845865157 1048750180 /nfs/dbraw/zinc/75/01/80/1048750180.db2.gz IGIXKLSRGKNROK-LBPRGKRZSA-N 1 1 335.354 4.107 20 30 EIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Br)c1 ZINC001171208418 1048804354 /nfs/dbraw/zinc/80/43/54/1048804354.db2.gz BLFLYYHMQNSDLD-AWEZNQCLSA-N 1 1 343.268 4.384 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816551555 1048831087 /nfs/dbraw/zinc/83/10/87/1048831087.db2.gz GFIXBAGUZFYOSM-CQSZACIVSA-N 1 1 348.805 4.155 20 30 EIEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C)(CC(C)C)CC2)c(C#N)c1C ZINC001170835594 1048846079 /nfs/dbraw/zinc/84/60/79/1048846079.db2.gz MHIGFYBNILYEBM-OAHLLOKOSA-N 1 1 345.487 4.243 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846755770 1048890680 /nfs/dbraw/zinc/89/06/80/1048890680.db2.gz DPLYBEUBEUPFKA-LBDLAYEZSA-N 1 1 327.255 4.135 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846755770 1048890684 /nfs/dbraw/zinc/89/06/84/1048890684.db2.gz DPLYBEUBEUPFKA-LBDLAYEZSA-N 1 1 327.255 4.135 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860480 1048933006 /nfs/dbraw/zinc/93/30/06/1048933006.db2.gz IVJNVHHEYCHQSA-PMACEKPBSA-N 1 1 338.426 4.375 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619143 1048954110 /nfs/dbraw/zinc/95/41/10/1048954110.db2.gz NCXYOIDHNPNDLZ-NQIIRXRSSA-N 1 1 340.511 4.260 20 30 EIEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021992 1048981648 /nfs/dbraw/zinc/98/16/48/1048981648.db2.gz DQOOXRMBKXTRKL-OLZOCXBDSA-N 1 1 349.356 4.162 20 30 EIEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847021992 1048981654 /nfs/dbraw/zinc/98/16/54/1048981654.db2.gz DQOOXRMBKXTRKL-OLZOCXBDSA-N 1 1 349.356 4.162 20 30 EIEDMO N#Cc1csc(C[N@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000811452849 1049069074 /nfs/dbraw/zinc/06/90/74/1049069074.db2.gz AVWWARJGESARNW-UHFFFAOYSA-N 1 1 327.453 4.055 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000135109751 1049070692 /nfs/dbraw/zinc/07/06/92/1049070692.db2.gz GNAGGAPWYUXPQI-UHFFFAOYSA-N 1 1 332.447 4.483 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccc(Cl)cc1 ZINC000811516704 1049104176 /nfs/dbraw/zinc/10/41/76/1049104176.db2.gz UAFQTDKHKOUZFC-QGZVFWFLSA-N 1 1 341.867 4.266 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccc(Cl)cc1 ZINC000811516986 1049104308 /nfs/dbraw/zinc/10/43/08/1049104308.db2.gz DUUQYDVUBWJEKX-SFHVURJKSA-N 1 1 341.838 4.378 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000078681255 1049273193 /nfs/dbraw/zinc/27/31/93/1049273193.db2.gz MKMAMFFMKSHXQY-UHFFFAOYSA-N 1 1 334.769 4.194 20 30 EIEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000078681255 1049273208 /nfs/dbraw/zinc/27/32/08/1049273208.db2.gz MKMAMFFMKSHXQY-UHFFFAOYSA-N 1 1 334.769 4.194 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001171333361 1049334889 /nfs/dbraw/zinc/33/48/89/1049334889.db2.gz VXLKYSUVCVAOSJ-SJLPKXTDSA-N 1 1 346.540 4.163 20 30 EIEDMO C[C@H](NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccncc1 ZINC000819817217 1049375955 /nfs/dbraw/zinc/37/59/55/1049375955.db2.gz YIUQVFRUCIRXFS-PBVYKCSPSA-N 1 1 336.483 4.163 20 30 EIEDMO CC(=[NH+]Nc1cccc(Cl)c1)c1cccc(N2CCOCC2)c1 ZINC000812377110 1049453955 /nfs/dbraw/zinc/45/39/55/1049453955.db2.gz ARYNBWLDVGZVPL-UHFFFAOYSA-N 1 1 329.831 4.013 20 30 EIEDMO C=CCOCC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001171354085 1049509420 /nfs/dbraw/zinc/50/94/20/1049509420.db2.gz PKDGATUPDVVPQH-KRWDZBQOSA-N 1 1 338.289 4.049 20 30 EIEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749780 1049516851 /nfs/dbraw/zinc/51/68/51/1049516851.db2.gz SGAGQWNWCMHWAT-KBXCAEBGSA-N 1 1 341.842 4.220 20 30 EIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000805749780 1049516859 /nfs/dbraw/zinc/51/68/59/1049516859.db2.gz SGAGQWNWCMHWAT-KBXCAEBGSA-N 1 1 341.842 4.220 20 30 EIEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000773004992 1049518169 /nfs/dbraw/zinc/51/81/69/1049518169.db2.gz NAJKHASLCNVCIH-QMMMGPOBSA-N 1 1 327.705 4.293 20 30 EIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000610132799 1049556752 /nfs/dbraw/zinc/55/67/52/1049556752.db2.gz HVMCBPWYEAYONN-QGZVFWFLSA-N 1 1 338.451 4.256 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(O[C@H](C)CC)c1)c1ccc(F)cc1 ZINC000812792656 1049580412 /nfs/dbraw/zinc/58/04/12/1049580412.db2.gz GARZSJQCEYPJRC-BEFAXECRSA-N 1 1 341.426 4.476 20 30 EIEDMO C#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795319 1049592653 /nfs/dbraw/zinc/59/26/53/1049592653.db2.gz QZLWFCWZXCCUTQ-HSQYWUDLSA-N 1 1 336.454 4.143 20 30 EIEDMO C#C[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793269 1049593382 /nfs/dbraw/zinc/59/33/82/1049593382.db2.gz RJMUFUKHLZRMLV-AGHHOFFYSA-N 1 1 336.454 4.000 20 30 EIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001133494661 1049620934 /nfs/dbraw/zinc/62/09/34/1049620934.db2.gz QIFKLTSFNKLEPR-OKZBNKHCSA-N 1 1 340.577 4.069 20 30 EIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171471391 1049726588 /nfs/dbraw/zinc/72/65/88/1049726588.db2.gz HKMRQVILNLJPTM-SFHVURJKSA-N 1 1 326.390 4.238 20 30 EIEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C(=O)OC(C)(C)C ZINC001171525124 1049749950 /nfs/dbraw/zinc/74/99/50/1049749950.db2.gz WVNWZSZEASJUEM-CJNGLKHVSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C(=O)OC(C)(C)C ZINC001171525124 1049749960 /nfs/dbraw/zinc/74/99/60/1049749960.db2.gz WVNWZSZEASJUEM-CJNGLKHVSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@@H]1C[C@H](N(CCC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171746603 1049789904 /nfs/dbraw/zinc/78/99/04/1049789904.db2.gz PSGRFUGDRKYUPI-KNQAVFIVSA-N 1 1 333.479 4.065 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847279 1049812783 /nfs/dbraw/zinc/81/27/83/1049812783.db2.gz KWTPAPQTMFHBJQ-QWHCGFSZSA-N 1 1 347.459 4.051 20 30 EIEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001171848041 1049813263 /nfs/dbraw/zinc/81/32/63/1049813263.db2.gz WINNYTHEIYVALB-GFCCVEGCSA-N 1 1 339.233 4.145 20 30 EIEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001171899736 1049817489 /nfs/dbraw/zinc/81/74/89/1049817489.db2.gz BOZNTUXCXPDYKD-HXUWFJFHSA-N 1 1 347.462 4.341 20 30 EIEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)[C@@H](C)COC ZINC001171916774 1049819135 /nfs/dbraw/zinc/81/91/35/1049819135.db2.gz POCIFTLOMJVERY-INIZCTEOSA-N 1 1 343.467 4.248 20 30 EIEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC001171006410 1049824853 /nfs/dbraw/zinc/82/48/53/1049824853.db2.gz FJJKSFVLASNTIJ-CQSZACIVSA-N 1 1 346.833 4.444 20 30 EIEDMO CC(C)[C@H](c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823195281 1049829909 /nfs/dbraw/zinc/82/99/09/1049829909.db2.gz UAUBSGFIHCXCSY-GJZGRUSLSA-N 1 1 332.835 4.205 20 30 EIEDMO CC1(C)C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001171972303 1049834867 /nfs/dbraw/zinc/83/48/67/1049834867.db2.gz PKLHMTBZQHSDMI-QFIPXVFZSA-N 1 1 347.506 4.134 20 30 EIEDMO CN(Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840174 /nfs/dbraw/zinc/84/01/74/1049840174.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840188 /nfs/dbraw/zinc/84/01/88/1049840188.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840194 /nfs/dbraw/zinc/84/01/94/1049840194.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 1 1 347.506 4.433 20 30 EIEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616126432 1049854103 /nfs/dbraw/zinc/85/41/03/1049854103.db2.gz ZYWFPPSYCWMDCQ-NRFANRHFSA-N 1 1 336.479 4.177 20 30 EIEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313496 1049875487 /nfs/dbraw/zinc/87/54/87/1049875487.db2.gz XZWVFNJMGWBPFQ-HRAATJIYSA-N 1 1 348.446 4.113 20 30 EIEDMO Cc1ccc([C@@]2(C)C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319538 1049877804 /nfs/dbraw/zinc/87/78/04/1049877804.db2.gz OAZFDLSEGQFGKO-XMSQKQJNSA-N 1 1 334.463 4.045 20 30 EIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001172355294 1049893841 /nfs/dbraw/zinc/89/38/41/1049893841.db2.gz NQYZRRHUOKTEBS-IBGZPJMESA-N 1 1 343.519 4.083 20 30 EIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001172355294 1049893848 /nfs/dbraw/zinc/89/38/48/1049893848.db2.gz NQYZRRHUOKTEBS-IBGZPJMESA-N 1 1 343.519 4.083 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172496872 1049921757 /nfs/dbraw/zinc/92/17/57/1049921757.db2.gz SIOUJPCUFDJSGO-QGZVFWFLSA-N 1 1 349.519 4.324 20 30 EIEDMO CCCCCCC[C@H](CCC)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001172501712 1049923367 /nfs/dbraw/zinc/92/33/67/1049923367.db2.gz JUCQQCADBURWIG-KRWDZBQOSA-N 1 1 327.509 4.218 20 30 EIEDMO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172510300 1049925648 /nfs/dbraw/zinc/92/56/48/1049925648.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 1 1 325.500 4.057 20 30 EIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172510300 1049925653 /nfs/dbraw/zinc/92/56/53/1049925653.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 1 1 325.500 4.057 20 30 EIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172509085 1049925892 /nfs/dbraw/zinc/92/58/92/1049925892.db2.gz SEZMIFDKNXBIND-RBUKOAKNSA-N 1 1 335.536 4.495 20 30 EIEDMO CCCC[C@H]1C[C@H]([N@@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652583 1049956001 /nfs/dbraw/zinc/95/60/01/1049956001.db2.gz YDACMVGABPTHHP-SJORKVTESA-N 1 1 337.508 4.180 20 30 EIEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368090 1050051923 /nfs/dbraw/zinc/05/19/23/1050051923.db2.gz UUKCEJVYXSELCT-JKSUJKDBSA-N 1 1 347.528 4.387 20 30 EIEDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791750 1050158492 /nfs/dbraw/zinc/15/84/92/1050158492.db2.gz NBYHFDGRCOUXSE-MJGOQNOKSA-N 1 1 334.504 4.437 20 30 EIEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc2cc(F)ccc2o1)C(C)C ZINC001177225520 1050168111 /nfs/dbraw/zinc/16/81/11/1050168111.db2.gz FXSQUQLWARWNAE-IBGZPJMESA-N 1 1 330.447 4.360 20 30 EIEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001185913984 1050193335 /nfs/dbraw/zinc/19/33/35/1050193335.db2.gz GLDUZGKCUFBQOI-LRXVAGHRSA-N 1 1 349.453 4.410 20 30 EIEDMO N#Cc1ccc(F)cc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001186010316 1050211491 /nfs/dbraw/zinc/21/14/91/1050211491.db2.gz XBHRNQOLJSVKDE-UHFFFAOYSA-N 1 1 349.453 4.190 20 30 EIEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000737 1050260863 /nfs/dbraw/zinc/26/08/63/1050260863.db2.gz BGYJZNMFQJZHAP-UHFFFAOYSA-N 1 1 334.479 4.333 20 30 EIEDMO CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000092043832 1050310234 /nfs/dbraw/zinc/31/02/34/1050310234.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000092043832 1050310251 /nfs/dbraw/zinc/31/02/51/1050310251.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 1 1 339.527 4.303 20 30 EIEDMO N#CC(CC[N@@H+]1CC[C@H](C(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000618291153 1050330709 /nfs/dbraw/zinc/33/07/09/1050330709.db2.gz OXYVAHCPIDVVPG-KRWDZBQOSA-N 1 1 340.417 4.473 20 30 EIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249160 1050376122 /nfs/dbraw/zinc/37/61/22/1050376122.db2.gz YCZSBVGJDWUGOD-YUXAGFNASA-N 1 1 343.511 4.006 20 30 EIEDMO CCCCCCCC[C@H](CCC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001173308522 1050404539 /nfs/dbraw/zinc/40/45/39/1050404539.db2.gz ASKRVPOCZBXMCM-KRWDZBQOSA-N 1 1 327.509 4.218 20 30 EIEDMO C=CCOC1CCC([NH2+][C@@H](CCC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173313590 1050406674 /nfs/dbraw/zinc/40/66/74/1050406674.db2.gz BGTZZNJMCOLSQH-ABHNRTSZSA-N 1 1 339.520 4.236 20 30 EIEDMO C=CCOC1CCC([N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001173321382 1050414302 /nfs/dbraw/zinc/41/43/02/1050414302.db2.gz JWPUCLUFVJKUIW-UHFFFAOYSA-N 1 1 336.273 4.279 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCN(Cc3ccccc3)C[C@@H]2CC)CC1 ZINC001173322264 1050416078 /nfs/dbraw/zinc/41/60/78/1050416078.db2.gz AJZDQYQUSXBFDT-HWELCPFYSA-N 1 1 342.527 4.097 20 30 EIEDMO N#CCC1CCC([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173333283 1050423578 /nfs/dbraw/zinc/42/35/78/1050423578.db2.gz MYPYTNRQVLXGCT-MOUZIVPDSA-N 1 1 338.495 4.498 20 30 EIEDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173336295 1050425417 /nfs/dbraw/zinc/42/54/17/1050425417.db2.gz VNTZZBSRVJLGAY-ABHNRTSZSA-N 1 1 349.519 4.036 20 30 EIEDMO COc1ccc([C@H]2CCC[N@H+]2C2CCC(CC#N)CC2)cc1OC ZINC001173339136 1050427127 /nfs/dbraw/zinc/42/71/27/1050427127.db2.gz MPFFQBGBEJKJRR-VMWRSERWSA-N 1 1 328.456 4.313 20 30 EIEDMO CCC[NH+](CCC)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC001186906648 1050445631 /nfs/dbraw/zinc/44/56/31/1050445631.db2.gz SHALXXQPJHMPQB-UHFFFAOYSA-N 1 1 339.399 4.231 20 30 EIEDMO COC(=O)CCCC[C@@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001173457216 1050467757 /nfs/dbraw/zinc/46/77/57/1050467757.db2.gz JKBFUCBENGHDCF-OAHLLOKOSA-N 1 1 336.863 4.178 20 30 EIEDMO COC(=O)CCCC[C@@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001173457216 1050467761 /nfs/dbraw/zinc/46/77/61/1050467761.db2.gz JKBFUCBENGHDCF-OAHLLOKOSA-N 1 1 336.863 4.178 20 30 EIEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173601090 1050502065 /nfs/dbraw/zinc/50/20/65/1050502065.db2.gz OJLJJABLOHBTQW-MWXLCCTBSA-N 1 1 325.500 4.055 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173624358 1050509904 /nfs/dbraw/zinc/50/99/04/1050509904.db2.gz WGUJEKYIDUKRGM-OBXNSHGQSA-N 1 1 327.468 4.187 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000093315562 1050559579 /nfs/dbraw/zinc/55/95/79/1050559579.db2.gz PHJRCLRVNFIYPW-AWEZNQCLSA-N 1 1 327.424 4.028 20 30 EIEDMO CC(C)c1[nH+]ccn1CCNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001187669678 1050591596 /nfs/dbraw/zinc/59/15/96/1050591596.db2.gz NVCJOCDUOGDYPY-UHFFFAOYSA-N 1 1 340.324 4.148 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc(OC)c1O ZINC000093445092 1050602554 /nfs/dbraw/zinc/60/25/54/1050602554.db2.gz ZBKAOKIZAMJTLL-IBGZPJMESA-N 1 1 338.451 4.170 20 30 EIEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC001179193632 1050654456 /nfs/dbraw/zinc/65/44/56/1050654456.db2.gz JOUXQKJPPBQZDW-KRWDZBQOSA-N 1 1 348.918 4.401 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1Cl ZINC001179193632 1050654463 /nfs/dbraw/zinc/65/44/63/1050654463.db2.gz JOUXQKJPPBQZDW-KRWDZBQOSA-N 1 1 348.918 4.401 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001179961658 1050848150 /nfs/dbraw/zinc/84/81/50/1050848150.db2.gz GWZYGLCAQUFQIT-ZWKOTPCHSA-N 1 1 326.827 4.317 20 30 EIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001179961658 1050848151 /nfs/dbraw/zinc/84/81/51/1050848151.db2.gz GWZYGLCAQUFQIT-ZWKOTPCHSA-N 1 1 326.827 4.317 20 30 EIEDMO COc1cc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)ccc1C#N ZINC001180080847 1050877023 /nfs/dbraw/zinc/87/70/23/1050877023.db2.gz GXZFZIRKIXTALL-QFIPXVFZSA-N 1 1 334.463 4.412 20 30 EIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC001180161480 1050903842 /nfs/dbraw/zinc/90/38/42/1050903842.db2.gz FCLLYXHQVBCSDD-GMAHTHKFSA-N 1 1 346.474 4.049 20 30 EIEDMO CC(C)(O)C#Cc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174394501 1050909849 /nfs/dbraw/zinc/90/98/49/1050909849.db2.gz KAQALSBDJLZZHW-UHFFFAOYSA-N 1 1 346.474 4.011 20 30 EIEDMO C=CC[N@@H+](CC1CCCCC1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001180291428 1050954655 /nfs/dbraw/zinc/95/46/55/1050954655.db2.gz BGXANQBBGBKEHC-UHFFFAOYSA-N 1 1 348.531 4.454 20 30 EIEDMO C#CCCCCCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC001180354239 1050968765 /nfs/dbraw/zinc/96/87/65/1050968765.db2.gz WUHXNNIHAOAXNP-UHFFFAOYSA-N 1 1 338.289 4.343 20 30 EIEDMO N#Cc1ccc2ccccc2c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446490 1050977106 /nfs/dbraw/zinc/97/71/06/1050977106.db2.gz OHIQGSDVJQYBQL-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO CC(C)(C#N)c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174445358 1050978443 /nfs/dbraw/zinc/97/84/43/1050978443.db2.gz FNBQQWMSVUDLMZ-UHFFFAOYSA-N 1 1 335.451 4.064 20 30 EIEDMO CC1(C)CCC[C@@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC001180363817 1050982831 /nfs/dbraw/zinc/98/28/31/1050982831.db2.gz IQHDPHIIIUVTNC-OAQYLSRUSA-N 1 1 339.527 4.282 20 30 EIEDMO CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001174572956 1051059393 /nfs/dbraw/zinc/05/93/93/1051059393.db2.gz CABOPWGWDZDQBY-CVDCTZTESA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572956 1051059405 /nfs/dbraw/zinc/05/94/05/1051059405.db2.gz CABOPWGWDZDQBY-CVDCTZTESA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572956 1051059416 /nfs/dbraw/zinc/05/94/16/1051059416.db2.gz CABOPWGWDZDQBY-CVDCTZTESA-N 1 1 347.506 4.462 20 30 EIEDMO C=C(C)Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001190224204 1051133314 /nfs/dbraw/zinc/13/33/14/1051133314.db2.gz HNKWFRIQZMBDBE-UHFFFAOYSA-N 1 1 336.479 4.009 20 30 EIEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001174742678 1051160338 /nfs/dbraw/zinc/16/03/38/1051160338.db2.gz PZUCNVWRBXSTCX-QGZVFWFLSA-N 1 1 338.451 4.101 20 30 EIEDMO CCCCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC001174781792 1051172386 /nfs/dbraw/zinc/17/23/86/1051172386.db2.gz ZYGWEYQHYWGNSR-GOSISDBHSA-N 1 1 327.472 4.322 20 30 EIEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190528962 1051205711 /nfs/dbraw/zinc/20/57/11/1051205711.db2.gz OXMOWMLLRHFBRD-WOJBJXKFSA-N 1 1 343.829 4.135 20 30 EIEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001190708769 1051249811 /nfs/dbraw/zinc/24/98/11/1051249811.db2.gz VLIBYQYUDLKGMY-HNNXBMFYSA-N 1 1 326.371 4.239 20 30 EIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001190708769 1051249824 /nfs/dbraw/zinc/24/98/24/1051249824.db2.gz VLIBYQYUDLKGMY-HNNXBMFYSA-N 1 1 326.371 4.239 20 30 EIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001181556416 1051252055 /nfs/dbraw/zinc/25/20/55/1051252055.db2.gz VUWQMBKOZJLBQM-UHFFFAOYSA-N 1 1 333.479 4.407 20 30 EIEDMO CC[C@H](OCC[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001175062059 1051314813 /nfs/dbraw/zinc/31/48/13/1051314813.db2.gz MOKQBHZLLFVTPH-QFIPXVFZSA-N 1 1 334.463 4.279 20 30 EIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191021456 1051328529 /nfs/dbraw/zinc/32/85/29/1051328529.db2.gz GQGRABUHZWWVCE-OAHLLOKOSA-N 1 1 347.890 4.298 20 30 EIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001191022777 1051331021 /nfs/dbraw/zinc/33/10/21/1051331021.db2.gz XLDUQHBIEMSEKJ-HNNXBMFYSA-N 1 1 347.890 4.298 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC001191131824 1051377044 /nfs/dbraw/zinc/37/70/44/1051377044.db2.gz HWNIVEAEPVBQNG-CYBMUJFWSA-N 1 1 349.475 4.441 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccc(Cl)cc1 ZINC001182151893 1051406038 /nfs/dbraw/zinc/40/60/38/1051406038.db2.gz GJXGZGSKIKUCFO-GOSISDBHSA-N 1 1 341.838 4.354 20 30 EIEDMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191454396 1051447277 /nfs/dbraw/zinc/44/72/77/1051447277.db2.gz NURTVQYOAXCMPG-RXVVDRJESA-N 1 1 347.462 4.012 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC001191741192 1051536835 /nfs/dbraw/zinc/53/68/35/1051536835.db2.gz IAPDLQWKJJWUKK-PMACEKPBSA-N 1 1 342.389 4.097 20 30 EIEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC001182520954 1051631283 /nfs/dbraw/zinc/63/12/83/1051631283.db2.gz LMZSBHYXWGHYQA-HXUWFJFHSA-N 1 1 326.390 4.434 20 30 EIEDMO N#Cc1c(F)cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001175507866 1051642791 /nfs/dbraw/zinc/64/27/91/1051642791.db2.gz XQCFMUWTJADFGV-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CC#Cc1ccccc1 ZINC001182724989 1051689399 /nfs/dbraw/zinc/68/93/99/1051689399.db2.gz CYXPEZRREIYGKZ-FQEVSTJZSA-N 1 1 335.447 4.065 20 30 EIEDMO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC#Cc1ccccc1 ZINC001182724989 1051689403 /nfs/dbraw/zinc/68/94/03/1051689403.db2.gz CYXPEZRREIYGKZ-FQEVSTJZSA-N 1 1 335.447 4.065 20 30 EIEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001182796039 1051700141 /nfs/dbraw/zinc/70/01/41/1051700141.db2.gz OLZXKCUXXDCXPD-QGZVFWFLSA-N 1 1 338.451 4.160 20 30 EIEDMO Cc1[nH+]c2ccc(Br)cn2c1Nc1cc(F)cc(C#N)c1 ZINC001175682438 1051727621 /nfs/dbraw/zinc/72/76/21/1051727621.db2.gz LBIYWMSNAODFSR-UHFFFAOYSA-N 1 1 345.175 4.160 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)OC)o2)C1 ZINC001183065838 1051784890 /nfs/dbraw/zinc/78/48/90/1051784890.db2.gz PYRXJPHORVXAGC-OAHLLOKOSA-N 1 1 325.408 4.131 20 30 EIEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001192954125 1051836525 /nfs/dbraw/zinc/83/65/25/1051836525.db2.gz ZTPCLEKZPYCRCQ-FGTMMUONSA-N 1 1 325.541 4.153 20 30 EIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)[nH]n1 ZINC001175925835 1051845668 /nfs/dbraw/zinc/84/56/68/1051845668.db2.gz NIWOXOKFTHBMHP-INIZCTEOSA-N 1 1 342.874 4.438 20 30 EIEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)n[nH]1 ZINC001175925835 1051845670 /nfs/dbraw/zinc/84/56/70/1051845670.db2.gz NIWOXOKFTHBMHP-INIZCTEOSA-N 1 1 342.874 4.438 20 30 EIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)n[nH]1 ZINC001175925835 1051845674 /nfs/dbraw/zinc/84/56/74/1051845674.db2.gz NIWOXOKFTHBMHP-INIZCTEOSA-N 1 1 342.874 4.438 20 30 EIEDMO N#CC1(CC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CCCCC1 ZINC001193011490 1051851903 /nfs/dbraw/zinc/85/19/03/1051851903.db2.gz JEKVGPIHHIIIAG-GOSISDBHSA-N 1 1 336.483 4.365 20 30 EIEDMO C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532969 1051864247 /nfs/dbraw/zinc/86/42/47/1051864247.db2.gz ITROWCXDDZEYDY-IBGZPJMESA-N 1 1 347.506 4.367 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1F ZINC000774660271 1051880239 /nfs/dbraw/zinc/88/02/39/1051880239.db2.gz RBKASYCLYHISDJ-ROUUACIJSA-N 1 1 342.414 4.159 20 30 EIEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC001193208765 1051885218 /nfs/dbraw/zinc/88/52/18/1051885218.db2.gz DAZVHTZKJRCMAX-FQEVSTJZSA-N 1 1 327.516 4.303 20 30 EIEDMO CC[C@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC001193208765 1051885221 /nfs/dbraw/zinc/88/52/21/1051885221.db2.gz DAZVHTZKJRCMAX-FQEVSTJZSA-N 1 1 327.516 4.303 20 30 EIEDMO CC[C@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC001193208765 1051885227 /nfs/dbraw/zinc/88/52/27/1051885227.db2.gz DAZVHTZKJRCMAX-FQEVSTJZSA-N 1 1 327.516 4.303 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2CC2(O)CCCCC2)cc1 ZINC001176061957 1051899834 /nfs/dbraw/zinc/89/98/34/1051899834.db2.gz LPTFMROOIFKFIF-HXUWFJFHSA-N 1 1 326.484 4.192 20 30 EIEDMO C#CC[C@H]1CC[N@@H+](C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903702 /nfs/dbraw/zinc/90/37/02/1051903702.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 1 1 346.518 4.247 20 30 EIEDMO C#CC[C@H]1CC[N@H+](C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903721 /nfs/dbraw/zinc/90/37/21/1051903721.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 1 1 346.518 4.247 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046063 1051945058 /nfs/dbraw/zinc/94/50/58/1051945058.db2.gz SGWPLNCCTZWWRH-VABKMULXSA-N 1 1 346.474 4.442 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)c1C#N ZINC001193637489 1051963186 /nfs/dbraw/zinc/96/31/86/1051963186.db2.gz XXJYACAZYXVEOG-MRXNPFEDSA-N 1 1 340.467 4.137 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC001193754106 1051990961 /nfs/dbraw/zinc/99/09/61/1051990961.db2.gz PYUFKSIVBLFEDC-FQEVSTJZSA-N 1 1 342.527 4.175 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001193941727 1052041404 /nfs/dbraw/zinc/04/14/04/1052041404.db2.gz CFAGMSSHLWRGNI-SFHVURJKSA-N 1 1 336.435 4.458 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001193941727 1052041416 /nfs/dbraw/zinc/04/14/16/1052041416.db2.gz CFAGMSSHLWRGNI-SFHVURJKSA-N 1 1 336.435 4.458 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001193943390 1052043396 /nfs/dbraw/zinc/04/33/96/1052043396.db2.gz WBAFUAIZOUQKSQ-TZIWHRDSSA-N 1 1 326.484 4.075 20 30 EIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001193943390 1052043404 /nfs/dbraw/zinc/04/34/04/1052043404.db2.gz WBAFUAIZOUQKSQ-TZIWHRDSSA-N 1 1 326.484 4.075 20 30 EIEDMO C=C[C@H]1CCCCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943418 1052043651 /nfs/dbraw/zinc/04/36/51/1052043651.db2.gz WUBTVIJGNLNYIK-QFIPXVFZSA-N 1 1 326.528 4.372 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001176855715 1052202942 /nfs/dbraw/zinc/20/29/42/1052202942.db2.gz GRYFRVRDXSDYQM-MJGOQNOKSA-N 1 1 326.484 4.126 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913990 1052282479 /nfs/dbraw/zinc/28/24/79/1052282479.db2.gz UGGQVVYDXCXIKT-NHCUHLMSSA-N 1 1 338.426 4.094 20 30 EIEDMO C=CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000172421315 1052497134 /nfs/dbraw/zinc/49/71/34/1052497134.db2.gz LOOQJWKWYWLSCA-CYBMUJFWSA-N 1 1 328.378 4.321 20 30 EIEDMO C#CC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCC1 ZINC000763842620 1052593296 /nfs/dbraw/zinc/59/32/96/1052593296.db2.gz GAUYIUTWXOSWMR-UHFFFAOYSA-N 1 1 341.480 4.055 20 30 EIEDMO C#CC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCC1 ZINC000763842620 1052593303 /nfs/dbraw/zinc/59/33/03/1052593303.db2.gz GAUYIUTWXOSWMR-UHFFFAOYSA-N 1 1 341.480 4.055 20 30 EIEDMO Cc1cnn(CCCCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000072898108 1052621617 /nfs/dbraw/zinc/62/16/17/1052621617.db2.gz GSFRGPPJWCYUEH-SFTDATJTSA-N 1 1 336.483 4.134 20 30 EIEDMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)C#N)c1 ZINC000183821063 1052985162 /nfs/dbraw/zinc/98/51/62/1052985162.db2.gz GGIDMZKUALJNQG-GOSISDBHSA-N 1 1 344.462 4.156 20 30 EIEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000775617045 1053136525 /nfs/dbraw/zinc/13/65/25/1053136525.db2.gz JDPPYFNBAUKDDE-NRFANRHFSA-N 1 1 325.452 4.197 20 30 EIEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875507 1053138357 /nfs/dbraw/zinc/13/83/57/1053138357.db2.gz ZNHDEOODKFVFGN-MRXNPFEDSA-N 1 1 349.906 4.406 20 30 EIEDMO CCCC[N@H+](C)c1ccc(NCc2cc(C#N)ccc2N(C)C)cc1 ZINC000864027541 1053163447 /nfs/dbraw/zinc/16/34/47/1053163447.db2.gz CADBGYZRWQWANH-UHFFFAOYSA-N 1 1 336.483 4.473 20 30 EIEDMO CCCC[N@@H+](C)c1ccc(NCc2cc(C#N)ccc2N(C)C)cc1 ZINC000864027541 1053163463 /nfs/dbraw/zinc/16/34/63/1053163463.db2.gz CADBGYZRWQWANH-UHFFFAOYSA-N 1 1 336.483 4.473 20 30 EIEDMO CCCCCCCCCCOC(=O)NC1CC[NH+](CCF)CC1 ZINC001194929152 1053184330 /nfs/dbraw/zinc/18/43/30/1053184330.db2.gz RHLMNSUBAVKFEM-UHFFFAOYSA-N 1 1 330.488 4.287 20 30 EIEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCC1 ZINC001194983954 1053216845 /nfs/dbraw/zinc/21/68/45/1053216845.db2.gz NVIDRANNLREDNE-VQTJNVASSA-N 1 1 338.495 4.439 20 30 EIEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001195376476 1053394340 /nfs/dbraw/zinc/39/43/40/1053394340.db2.gz LGDVNHTWRBLYGL-FQEVSTJZSA-N 1 1 347.462 4.360 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615438866 1053455940 /nfs/dbraw/zinc/45/59/40/1053455940.db2.gz FVMBGPNTRQEOHJ-OASPWFOLSA-N 1 1 336.279 4.292 20 30 EIEDMO C[N@@H+](CCCc1cccc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877292 1053513918 /nfs/dbraw/zinc/51/39/18/1053513918.db2.gz UVFJQEXLEWPQFC-HSZRJFAPSA-N 1 1 344.458 4.309 20 30 EIEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000852101441 1053549328 /nfs/dbraw/zinc/54/93/28/1053549328.db2.gz FJRJADUAUFJNNB-QFYYESIMSA-N 1 1 338.238 4.496 20 30 EIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300427 1053566795 /nfs/dbraw/zinc/56/67/95/1053566795.db2.gz HXDSBDRTZVTOQL-WMZOPIPTSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)O[C@@H](C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333475 1053573660 /nfs/dbraw/zinc/57/36/60/1053573660.db2.gz NLUDRPKXSMXGPR-UNMCSNQZSA-N 1 1 349.478 4.105 20 30 EIEDMO CC(C)O[C@@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000852333475 1053573670 /nfs/dbraw/zinc/57/36/70/1053573670.db2.gz NLUDRPKXSMXGPR-UNMCSNQZSA-N 1 1 349.478 4.105 20 30 EIEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598287 1053593287 /nfs/dbraw/zinc/59/32/87/1053593287.db2.gz QCNORXZLVCRPOJ-IAGOWNOFSA-N 1 1 337.508 4.086 20 30 EIEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC001196470272 1053673864 /nfs/dbraw/zinc/67/38/64/1053673864.db2.gz NRLXGHARCBVNDZ-CQSZACIVSA-N 1 1 328.378 4.092 20 30 EIEDMO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1cccc(C#N)c1O ZINC000866398132 1053715207 /nfs/dbraw/zinc/71/52/07/1053715207.db2.gz KXQXEVVVAXYOIQ-SECBINFHSA-N 1 1 326.343 4.195 20 30 EIEDMO COC[C@@H](C)[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646621 1053715685 /nfs/dbraw/zinc/71/56/85/1053715685.db2.gz MUGAEUTZXRKTNC-QVKFZJNVSA-N 1 1 338.426 4.222 20 30 EIEDMO C=C(Cl)C[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854097270 1053754734 /nfs/dbraw/zinc/75/47/34/1053754734.db2.gz GZPVRISUYDOHNX-UHFFFAOYSA-N 1 1 343.858 4.084 20 30 EIEDMO CC[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(C#N)cc1 ZINC000866620593 1053808798 /nfs/dbraw/zinc/80/87/98/1053808798.db2.gz PYTAWMVDWYENQL-GFCCVEGCSA-N 1 1 336.258 4.018 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1 ZINC001196984094 1053817547 /nfs/dbraw/zinc/81/75/47/1053817547.db2.gz XSIYCYNVKJGPFO-KRWDZBQOSA-N 1 1 349.865 4.447 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121779144 1053847837 /nfs/dbraw/zinc/84/78/37/1053847837.db2.gz LLSPOUMBOVUFHF-MJGOQNOKSA-N 1 1 342.414 4.159 20 30 EIEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801939822 1053855033 /nfs/dbraw/zinc/85/50/33/1053855033.db2.gz WBKANRBKMDKKND-LBPRGKRZSA-N 1 1 325.239 4.011 20 30 EIEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785138 1053995348 /nfs/dbraw/zinc/99/53/48/1053995348.db2.gz BDMJMIQORWKTMT-INIZCTEOSA-N 1 1 342.446 4.143 20 30 EIEDMO C#CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C(C)(C)C ZINC001197929977 1054027293 /nfs/dbraw/zinc/02/72/93/1054027293.db2.gz NPCJAKPOAVOMIP-UHFFFAOYSA-N 1 1 344.480 4.061 20 30 EIEDMO C#CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C(C)(C)C ZINC001197929977 1054027310 /nfs/dbraw/zinc/02/73/10/1054027310.db2.gz NPCJAKPOAVOMIP-UHFFFAOYSA-N 1 1 344.480 4.061 20 30 EIEDMO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001198026854 1054060043 /nfs/dbraw/zinc/06/00/43/1054060043.db2.gz JLNHSPNOWZRXPX-GOSISDBHSA-N 1 1 325.843 4.375 20 30 EIEDMO C#CC[N@H+](C[C@@H](Cc1ccccc1)OC)[C@H]1CCCc2ccccc21 ZINC001198104764 1054079056 /nfs/dbraw/zinc/07/90/56/1054079056.db2.gz RPVCRJTYGZYTEC-GGAORHGYSA-N 1 1 333.475 4.257 20 30 EIEDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001198309986 1054128824 /nfs/dbraw/zinc/12/88/24/1054128824.db2.gz NKIBPYHOTHCBEC-OAQYLSRUSA-N 1 1 342.483 4.201 20 30 EIEDMO C=CCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405852 1054138926 /nfs/dbraw/zinc/13/89/26/1054138926.db2.gz BNWQNKUSJWGBAI-MSOLQXFVSA-N 1 1 336.520 4.454 20 30 EIEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC001198800465 1054272610 /nfs/dbraw/zinc/27/26/10/1054272610.db2.gz LMDACRKXKHVRDX-QGZVFWFLSA-N 1 1 339.401 4.194 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1cccc(C#N)c1 ZINC000871934391 1054323638 /nfs/dbraw/zinc/32/36/38/1054323638.db2.gz AZIZTOLWPZNDSU-JTQLQIEISA-N 1 1 339.748 4.476 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(O)ccc2F)c1 ZINC000872045053 1054359316 /nfs/dbraw/zinc/35/93/16/1054359316.db2.gz HWSGRTBNSSTYKZ-CZUORRHYSA-N 1 1 328.387 4.063 20 30 EIEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872081408 1054382353 /nfs/dbraw/zinc/38/23/53/1054382353.db2.gz XTIAPKBQXQULJI-YVEFUNNKSA-N 1 1 339.370 4.334 20 30 EIEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872081405 1054382745 /nfs/dbraw/zinc/38/27/45/1054382745.db2.gz XTIAPKBQXQULJI-SJCJKPOMSA-N 1 1 339.370 4.334 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872261859 1054427082 /nfs/dbraw/zinc/42/70/82/1054427082.db2.gz INZCHCNMEDMPCQ-FQEVSTJZSA-N 1 1 342.483 4.293 20 30 EIEDMO C#CCCCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124476891 1054522490 /nfs/dbraw/zinc/52/24/90/1054522490.db2.gz GEEYFXLNXWWDHS-IBGZPJMESA-N 1 1 331.419 4.219 20 30 EIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201487187 1054815499 /nfs/dbraw/zinc/81/54/99/1054815499.db2.gz QYERUGVQVMMPFF-PZJWPPBQSA-N 1 1 332.532 4.402 20 30 EIEDMO COc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC001201477281 1054829166 /nfs/dbraw/zinc/82/91/66/1054829166.db2.gz DQRDUZJSVDDRAN-RTWAWAEBSA-N 1 1 345.446 4.300 20 30 EIEDMO CCCCCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001201630950 1054860542 /nfs/dbraw/zinc/86/05/42/1054860542.db2.gz JPFDMBURXVSQSM-IBGZPJMESA-N 1 1 335.536 4.492 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001201762382 1054899873 /nfs/dbraw/zinc/89/98/73/1054899873.db2.gz IIXGCAZESDOTMK-LEWJYISDSA-N 1 1 346.515 4.192 20 30 EIEDMO CCCCCCCC[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815165 1054914027 /nfs/dbraw/zinc/91/40/27/1054914027.db2.gz YEQDQWBSMNSSPQ-PCCBWWKXSA-N 1 1 346.515 4.191 20 30 EIEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001201777288 1054917462 /nfs/dbraw/zinc/91/74/62/1054917462.db2.gz VHACDQJKPIFFNQ-AZUAARDMSA-N 1 1 332.488 4.054 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201846775 1054933617 /nfs/dbraw/zinc/93/36/17/1054933617.db2.gz LEDXLZTUDJVHQQ-NRFANRHFSA-N 1 1 343.515 4.261 20 30 EIEDMO CCCCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201846724 1054933869 /nfs/dbraw/zinc/93/38/69/1054933869.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 1 1 334.552 4.290 20 30 EIEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000876837402 1054969613 /nfs/dbraw/zinc/96/96/13/1054969613.db2.gz BNQJWHNDAIVIEJ-SFHVURJKSA-N 1 1 341.499 4.434 20 30 EIEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001137114241 1054983203 /nfs/dbraw/zinc/98/32/03/1054983203.db2.gz BIVVFCRQAMKRPU-UHFFFAOYSA-N 1 1 343.430 4.186 20 30 EIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001137114241 1054983213 /nfs/dbraw/zinc/98/32/13/1054983213.db2.gz BIVVFCRQAMKRPU-UHFFFAOYSA-N 1 1 343.430 4.186 20 30 EIEDMO CC(C)(C)OCc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876995598 1054998660 /nfs/dbraw/zinc/99/86/60/1054998660.db2.gz FZGZKAMPOBLPDJ-UHFFFAOYSA-N 1 1 343.858 4.212 20 30 EIEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000877475871 1055060557 /nfs/dbraw/zinc/06/05/57/1055060557.db2.gz PBLWWFFJPDLQAN-SFHVURJKSA-N 1 1 345.487 4.074 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601223 1055089440 /nfs/dbraw/zinc/08/94/40/1055089440.db2.gz XUBVOAUVLCTESA-IRXDYDNUSA-N 1 1 349.519 4.038 20 30 EIEDMO C=CCCC[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000173483982 1055122125 /nfs/dbraw/zinc/12/21/25/1055122125.db2.gz ZNSHEACKYDFKKL-UHFFFAOYSA-N 1 1 343.496 4.031 20 30 EIEDMO C=CCCC[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000173483982 1055122135 /nfs/dbraw/zinc/12/21/35/1055122135.db2.gz ZNSHEACKYDFKKL-UHFFFAOYSA-N 1 1 343.496 4.031 20 30 EIEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000877814471 1055127158 /nfs/dbraw/zinc/12/71/58/1055127158.db2.gz ZNAOIXLLIVYBGQ-QGZVFWFLSA-N 1 1 341.480 4.124 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000119255537 1055145340 /nfs/dbraw/zinc/14/53/40/1055145340.db2.gz YFNBSYCKNAKCCJ-KRWDZBQOSA-N 1 1 333.435 4.261 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000877917124 1055152858 /nfs/dbraw/zinc/15/28/58/1055152858.db2.gz SUSFWLHYBHJCEI-JOCHJYFZSA-N 1 1 332.447 4.092 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1Cc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000877937364 1055157560 /nfs/dbraw/zinc/15/75/60/1055157560.db2.gz LFPHFDSGPDMHTE-JTSKRJEESA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950346 1055160772 /nfs/dbraw/zinc/16/07/72/1055160772.db2.gz JYOXZXFMRMUMBJ-QFIPXVFZSA-N 1 1 334.463 4.338 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951911 1055161183 /nfs/dbraw/zinc/16/11/83/1055161183.db2.gz UHDJVWKKIKVVCW-YADHBBJMSA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000878109163 1055190109 /nfs/dbraw/zinc/19/01/09/1055190109.db2.gz NEHYTLHSNXOXOQ-AVCGJXAMSA-N 1 1 346.474 4.305 20 30 EIEDMO C#CCCCCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000878116570 1055190178 /nfs/dbraw/zinc/19/01/78/1055190178.db2.gz IZCSTKFOJAMCDD-UHFFFAOYSA-N 1 1 329.444 4.092 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000878166002 1055198077 /nfs/dbraw/zinc/19/80/77/1055198077.db2.gz JFYIFDAHMHSTAO-VOQZNFBZSA-N 1 1 332.447 4.120 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404963 1055292184 /nfs/dbraw/zinc/29/21/84/1055292184.db2.gz ACGMCHWJZYDUPR-GMAHTHKFSA-N 1 1 346.474 4.225 20 30 EIEDMO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000624465217 1055307247 /nfs/dbraw/zinc/30/72/47/1055307247.db2.gz IDPDZEXMLBBXCI-NVXWUHKLSA-N 1 1 349.544 4.033 20 30 EIEDMO CCC1(CC)C[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CCS1 ZINC000878437534 1055311407 /nfs/dbraw/zinc/31/14/07/1055311407.db2.gz ONRBDCADNNXISI-HXUWFJFHSA-N 1 1 344.524 4.035 20 30 EIEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000127265365 1055367431 /nfs/dbraw/zinc/36/74/31/1055367431.db2.gz TWHBIMXNGYZYDV-KXBFYZLASA-N 1 1 334.419 4.421 20 30 EIEDMO C=C(C)CCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)n1 ZINC000624607235 1055397437 /nfs/dbraw/zinc/39/74/37/1055397437.db2.gz KSRZKZNGELAZIP-RBUKOAKNSA-N 1 1 337.467 4.204 20 30 EIEDMO C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399547 1055439032 /nfs/dbraw/zinc/43/90/32/1055439032.db2.gz WIMNMJTWEILWNT-KCESLBEFSA-N 1 1 347.506 4.365 20 30 EIEDMO C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399547 1055439046 /nfs/dbraw/zinc/43/90/46/1055439046.db2.gz WIMNMJTWEILWNT-KCESLBEFSA-N 1 1 347.506 4.365 20 30 EIEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cnn1-c1ccccc1 ZINC000765813282 1055476494 /nfs/dbraw/zinc/47/64/94/1055476494.db2.gz PEJLDRFWYPBJJL-AWEZNQCLSA-N 1 1 334.398 4.042 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384211 1055790879 /nfs/dbraw/zinc/79/08/79/1055790879.db2.gz DARIETOHRRCRTR-ICSRJNTNSA-N 1 1 342.389 4.189 20 30 EIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000301112989 1055897060 /nfs/dbraw/zinc/89/70/60/1055897060.db2.gz SOPGOCAEQTWMDJ-CALCHBBNSA-N 1 1 334.467 4.043 20 30 EIEDMO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000301699529 1055968694 /nfs/dbraw/zinc/96/86/94/1055968694.db2.gz DZXPYLNAQKKCDS-RBBKRZOGSA-N 1 1 331.463 4.049 20 30 EIEDMO COc1ccc([C@H]2C[C@@H]([N@@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653659 1056159746 /nfs/dbraw/zinc/15/97/46/1056159746.db2.gz NJGWTVGXRCHRQG-AZUAARDMSA-N 1 1 328.456 4.074 20 30 EIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000109326354 1056417461 /nfs/dbraw/zinc/41/74/61/1056417461.db2.gz DZIPNEPNGYYWPY-AWEZNQCLSA-N 1 1 326.465 4.482 20 30 EIEDMO Cc1[nH+]ccn1-c1ccccc1CNc1nc(C)c(C#N)cc1Cl ZINC000338718554 1056524230 /nfs/dbraw/zinc/52/42/30/1056524230.db2.gz SQULACNVBPTTQP-UHFFFAOYSA-N 1 1 337.814 4.021 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc2ccccc2[nH]c1=O ZINC000110105243 1056573520 /nfs/dbraw/zinc/57/35/20/1056573520.db2.gz UVQHGSNHBYHMFL-UHFFFAOYSA-N 1 1 344.867 4.431 20 30 EIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc2ccccc2[nH]c1=O ZINC000110105243 1056573534 /nfs/dbraw/zinc/57/35/34/1056573534.db2.gz UVQHGSNHBYHMFL-UHFFFAOYSA-N 1 1 344.867 4.431 20 30 EIEDMO C[C@H](NCCC[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946941 1056833573 /nfs/dbraw/zinc/83/35/73/1056833573.db2.gz GJDMHGMPPDYVQR-SFHVURJKSA-N 1 1 333.479 4.362 20 30 EIEDMO CC[N@H+]1CCC(N=Nc2nc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000741457816 1058217883 /nfs/dbraw/zinc/21/78/83/1058217883.db2.gz RCZXBDVCBZBXTM-MRVPVSSYSA-N 1 1 335.666 4.171 20 30 EIEDMO CC[C@@H](C)Oc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OC ZINC000742381964 1058583381 /nfs/dbraw/zinc/58/33/81/1058583381.db2.gz UYWBILMEUIHOOG-CQSZACIVSA-N 1 1 342.414 4.173 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000743473118 1059022227 /nfs/dbraw/zinc/02/22/27/1059022227.db2.gz BSDQCMWXHIADKN-HNNXBMFYSA-N 1 1 333.391 4.095 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000743859556 1059167737 /nfs/dbraw/zinc/16/77/37/1059167737.db2.gz BXEUCZFXPKGQKM-GOSISDBHSA-N 1 1 338.476 4.203 20 30 EIEDMO CC(C)[N@@H+](Cc1cccc(F)c1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147909 1059293069 /nfs/dbraw/zinc/29/30/69/1059293069.db2.gz UDBJNJZYFIHVIA-UHFFFAOYSA-N 1 1 348.425 4.429 20 30 EIEDMO CC(C)[N@H+](Cc1cccc(F)c1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147909 1059293101 /nfs/dbraw/zinc/29/31/01/1059293101.db2.gz UDBJNJZYFIHVIA-UHFFFAOYSA-N 1 1 348.425 4.429 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000744211376 1059327980 /nfs/dbraw/zinc/32/79/80/1059327980.db2.gz LAIYXWAYAVTZDP-IBGZPJMESA-N 1 1 349.396 4.470 20 30 EIEDMO C#CC[N@H+](C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739279 1059624999 /nfs/dbraw/zinc/62/49/99/1059624999.db2.gz RDVSTIPPEDAFAV-OXQOHEQNSA-N 1 1 349.902 4.046 20 30 EIEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168939590 1060530709 /nfs/dbraw/zinc/53/07/09/1060530709.db2.gz GSDQDBATQRYPTH-IBGZPJMESA-N 1 1 346.515 4.088 20 30 EIEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001168992589 1060568411 /nfs/dbraw/zinc/56/84/11/1060568411.db2.gz GHAKRYSQJDWYKT-QFIPXVFZSA-N 1 1 347.506 4.272 20 30 EIEDMO CCN(Cc1c(C)cc(C#N)cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001168992589 1060568428 /nfs/dbraw/zinc/56/84/28/1060568428.db2.gz GHAKRYSQJDWYKT-QFIPXVFZSA-N 1 1 347.506 4.272 20 30 EIEDMO CCN(Cc1c(C)cc(C#N)cc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992589 1060568441 /nfs/dbraw/zinc/56/84/41/1060568441.db2.gz GHAKRYSQJDWYKT-QFIPXVFZSA-N 1 1 347.506 4.272 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC(C)(C)C2)c1 ZINC001169301538 1060762142 /nfs/dbraw/zinc/76/21/42/1060762142.db2.gz VTWCRIHRMMHEGE-GOSISDBHSA-N 1 1 341.499 4.061 20 30 EIEDMO CCOC(=O)N1CCC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169695006 1060905197 /nfs/dbraw/zinc/90/51/97/1060905197.db2.gz SVHORUFJXGRCCY-LJQANCHMSA-N 1 1 349.519 4.326 20 30 EIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853694 1061002115 /nfs/dbraw/zinc/00/21/15/1061002115.db2.gz HHCGKDCDMYJKIU-FXAWDEMLSA-N 1 1 347.462 4.073 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC001169952825 1061048881 /nfs/dbraw/zinc/04/88/81/1061048881.db2.gz KSFZVFGPLBOGHL-UHFFFAOYSA-N 1 1 327.399 4.191 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668290 524114741 /nfs/dbraw/zinc/11/47/41/524114741.db2.gz QPYWJLCIMSKXBH-GOSISDBHSA-N 1 1 333.479 4.222 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668290 524114746 /nfs/dbraw/zinc/11/47/46/524114746.db2.gz QPYWJLCIMSKXBH-GOSISDBHSA-N 1 1 333.479 4.222 20 30 EIEDMO N#Cc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532243987 1032120577 /nfs/dbraw/zinc/12/05/77/1032120577.db2.gz QSDWFWGEHRNBBH-XZOQPEGZSA-N 1 1 345.490 4.045 20 30 EIEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000449933458 1032137082 /nfs/dbraw/zinc/13/70/82/1032137082.db2.gz BHAPTQNTQYIRRG-AEFFLSMTSA-N 1 1 346.540 4.384 20 30 EIEDMO CC1CC[NH+](Cc2cccc(CNCc3cccc(C#N)c3)c2)CC1 ZINC000105459610 1032246898 /nfs/dbraw/zinc/24/68/98/1032246898.db2.gz QFJAVELVEYOYJK-UHFFFAOYSA-N 1 1 333.479 4.080 20 30 EIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC001211975737 1032265034 /nfs/dbraw/zinc/26/50/34/1032265034.db2.gz OPYGKHBNGYDZHF-AEFFLSMTSA-N 1 1 343.471 4.123 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245512988 1032282317 /nfs/dbraw/zinc/28/23/17/1032282317.db2.gz BRMMMZCRZVFCNB-CVEARBPZSA-N 1 1 341.282 4.213 20 30 EIEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2ccccc2c1 ZINC000532929160 1032395668 /nfs/dbraw/zinc/39/56/68/1032395668.db2.gz AJDIUMFGOOWRRX-UHFFFAOYSA-N 1 1 349.459 4.234 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2ccccc2c1 ZINC000532929160 1032395677 /nfs/dbraw/zinc/39/56/77/1032395677.db2.gz AJDIUMFGOOWRRX-UHFFFAOYSA-N 1 1 349.459 4.234 20 30 EIEDMO C=CCC1(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CCCC1 ZINC000450377012 1032455204 /nfs/dbraw/zinc/45/52/04/1032455204.db2.gz HXXBMFILTBMYRV-UHFFFAOYSA-N 1 1 346.559 4.484 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1C ZINC000302807790 1032512559 /nfs/dbraw/zinc/51/25/59/1032512559.db2.gz FCFHHBMQSQCUEN-KRWDZBQOSA-N 1 1 328.481 4.372 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1C ZINC000302807790 1032512562 /nfs/dbraw/zinc/51/25/62/1032512562.db2.gz FCFHHBMQSQCUEN-KRWDZBQOSA-N 1 1 328.481 4.372 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000533250517 1032566565 /nfs/dbraw/zinc/56/65/65/1032566565.db2.gz SAQMRPGHANVFNE-UHFFFAOYSA-N 1 1 349.478 4.088 20 30 EIEDMO C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000121228938 1032574887 /nfs/dbraw/zinc/57/48/87/1032574887.db2.gz GULLAYYWFJDCMY-COPCDDAFSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000121228938 1032574906 /nfs/dbraw/zinc/57/49/06/1032574906.db2.gz GULLAYYWFJDCMY-COPCDDAFSA-N 1 1 333.479 4.284 20 30 EIEDMO C[C@H](C#N)C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1CC1 ZINC000450612956 1032583754 /nfs/dbraw/zinc/58/37/54/1032583754.db2.gz LMXWPUSTVQEIPI-CYBMUJFWSA-N 1 1 349.272 4.036 20 30 EIEDMO C[C@H](C#N)C[N@@H+](CCCC(=O)c1ccc(Br)cc1)C1CC1 ZINC000450612956 1032583770 /nfs/dbraw/zinc/58/37/70/1032583770.db2.gz LMXWPUSTVQEIPI-CYBMUJFWSA-N 1 1 349.272 4.036 20 30 EIEDMO Cc1ccc(C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccn2)cc1 ZINC000533309305 1032622746 /nfs/dbraw/zinc/62/27/46/1032622746.db2.gz FTOATESPOHKCJU-QFIPXVFZSA-N 1 1 345.421 4.474 20 30 EIEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246116696 1032711643 /nfs/dbraw/zinc/71/16/43/1032711643.db2.gz RETYONIMDPHWBN-AEFFLSMTSA-N 1 1 332.513 4.016 20 30 EIEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000186885136 1018911703 /nfs/dbraw/zinc/91/17/03/1018911703.db2.gz SUKNURUCTGZKLS-UHFFFAOYSA-N 1 1 343.430 4.261 20 30 EIEDMO CCC1CCC([N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)CC1 ZINC001167072611 1019472390 /nfs/dbraw/zinc/47/23/90/1019472390.db2.gz SJMDDAUXJSBSGL-UHFFFAOYSA-N 1 1 339.483 4.320 20 30 EIEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1F ZINC000512463583 1032835279 /nfs/dbraw/zinc/83/52/79/1032835279.db2.gz RRXDAOHJPNSGGG-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1F ZINC000512463583 1032835282 /nfs/dbraw/zinc/83/52/82/1032835282.db2.gz RRXDAOHJPNSGGG-UHFFFAOYSA-N 1 1 338.304 4.228 20 30 EIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167116868 1020218787 /nfs/dbraw/zinc/21/87/87/1020218787.db2.gz XAOPSQWYGMTENI-UHFFFAOYSA-N 1 1 346.814 4.445 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167116868 1020218796 /nfs/dbraw/zinc/21/87/96/1020218796.db2.gz XAOPSQWYGMTENI-UHFFFAOYSA-N 1 1 346.814 4.445 20 30 EIEDMO C=CCCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001209431484 1020323195 /nfs/dbraw/zinc/32/31/95/1020323195.db2.gz PGWTVYCLPJCOEZ-HZPDHXFCSA-N 1 1 328.472 4.060 20 30 EIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)CC2)ccc1Cl ZINC001167259306 1020710391 /nfs/dbraw/zinc/71/03/91/1020710391.db2.gz PLNJUXYGELKHOP-HNNXBMFYSA-N 1 1 347.890 4.017 20 30 EIEDMO C[N@H+]1CC[C@H](N[C@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309757 1020749373 /nfs/dbraw/zinc/74/93/73/1020749373.db2.gz XFEPAIKEXORDEJ-BDTNDASRSA-N 1 1 333.479 4.457 20 30 EIEDMO CN1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309757 1020749383 /nfs/dbraw/zinc/74/93/83/1020749383.db2.gz XFEPAIKEXORDEJ-BDTNDASRSA-N 1 1 333.479 4.457 20 30 EIEDMO C[N@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309759 1020749748 /nfs/dbraw/zinc/74/97/48/1020749748.db2.gz XFEPAIKEXORDEJ-FDFHNCONSA-N 1 1 333.479 4.457 20 30 EIEDMO CN1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309759 1020749767 /nfs/dbraw/zinc/74/97/67/1020749767.db2.gz XFEPAIKEXORDEJ-FDFHNCONSA-N 1 1 333.479 4.457 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)s1 ZINC000176956828 1020939360 /nfs/dbraw/zinc/93/93/60/1020939360.db2.gz RVEFKIMSEFGPBR-UHFFFAOYSA-N 1 1 341.661 4.325 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1Br ZINC000165450094 1021080129 /nfs/dbraw/zinc/08/01/29/1021080129.db2.gz NQYIFJOPLLBOQC-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1Br ZINC000165450094 1021080135 /nfs/dbraw/zinc/08/01/35/1021080135.db2.gz NQYIFJOPLLBOQC-UHFFFAOYSA-N 1 1 329.241 4.261 20 30 EIEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C)cc3C#N)c2C1 ZINC001210564840 1021270846 /nfs/dbraw/zinc/27/08/46/1021270846.db2.gz MFKYTOSXXWUEJI-UHFFFAOYSA-N 1 1 326.469 4.022 20 30 EIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053232903 1021315314 /nfs/dbraw/zinc/31/53/14/1021315314.db2.gz ASDAYQRDQCWRPH-LBPRGKRZSA-N 1 1 347.871 4.295 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2F)C2CC2)cc1 ZINC000180029730 1021378412 /nfs/dbraw/zinc/37/84/12/1021378412.db2.gz FPISCHCTUVKGCW-UHFFFAOYSA-N 1 1 346.409 4.252 20 30 EIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993712 1021849310 /nfs/dbraw/zinc/84/93/10/1021849310.db2.gz FWLBLGNDFBDOBU-RTBURBONSA-N 1 1 326.827 4.082 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1C#N ZINC000511474688 1021857259 /nfs/dbraw/zinc/85/72/59/1021857259.db2.gz SAYLQGRSYQGFSA-UHFFFAOYSA-N 1 1 348.425 4.152 20 30 EIEDMO CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000083536528 1021954084 /nfs/dbraw/zinc/95/40/84/1021954084.db2.gz ASLOXXVZGDUESN-LFYBBSHMSA-N 1 1 345.402 4.035 20 30 EIEDMO C=CC[N@H+](CC(=O)Nc1nc2ccccc2s1)CC1CCCCC1 ZINC001167393047 1021974351 /nfs/dbraw/zinc/97/43/51/1021974351.db2.gz ZWQDITDWVOTSPV-UHFFFAOYSA-N 1 1 343.496 4.303 20 30 EIEDMO C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1 ZINC000613450830 1022050046 /nfs/dbraw/zinc/05/00/46/1022050046.db2.gz HDJRTKNXBOBZAG-AWEZNQCLSA-N 1 1 336.826 4.248 20 30 EIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000549378769 1022136614 /nfs/dbraw/zinc/13/66/14/1022136614.db2.gz WJPSSKNTWYWLOY-CYBMUJFWSA-N 1 1 329.241 4.365 20 30 EIEDMO Cc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nc2ccccc12 ZINC000580514650 1022138652 /nfs/dbraw/zinc/13/86/52/1022138652.db2.gz GZKQICAOLQIKAT-IBGZPJMESA-N 1 1 330.435 4.463 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187793003 1022179638 /nfs/dbraw/zinc/17/96/38/1022179638.db2.gz XMWOQIYDYFDZMU-LJQANCHMSA-N 1 1 330.378 4.330 20 30 EIEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911128 1022497857 /nfs/dbraw/zinc/49/78/57/1022497857.db2.gz FDAGEZYTDIAHIR-SPEDKVCISA-N 1 1 333.479 4.262 20 30 EIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911128 1022497885 /nfs/dbraw/zinc/49/78/85/1022497885.db2.gz FDAGEZYTDIAHIR-SPEDKVCISA-N 1 1 333.479 4.262 20 30 EIEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893197922 1022659254 /nfs/dbraw/zinc/65/92/54/1022659254.db2.gz DZSBFDFAFFWKHA-FUHWJXTLSA-N 1 1 349.544 4.129 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CC[C@H](c3ccco3)C2)c(-c2ccccc2)n1 ZINC000378344583 1022726862 /nfs/dbraw/zinc/72/68/62/1022726862.db2.gz AQWWPZPITDNTRE-SFHVURJKSA-N 1 1 346.434 4.046 20 30 EIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4ccc(F)cc4o3)CC2)cc1 ZINC000378352853 1022734384 /nfs/dbraw/zinc/73/43/84/1022734384.db2.gz CJNGOTLDNHGVML-UHFFFAOYSA-N 1 1 333.366 4.128 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4ccc(F)cc4o3)CC2)cc1 ZINC000378352853 1022734408 /nfs/dbraw/zinc/73/44/08/1022734408.db2.gz CJNGOTLDNHGVML-UHFFFAOYSA-N 1 1 333.366 4.128 20 30 EIEDMO Cc1ccc(Br)c(F)c1C[NH2+]CC1(C#N)CCCCC1 ZINC001203155789 1022784843 /nfs/dbraw/zinc/78/48/43/1022784843.db2.gz IQRDMCMZUVSBDM-UHFFFAOYSA-N 1 1 339.252 4.460 20 30 EIEDMO N#CCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000183047884 1022841898 /nfs/dbraw/zinc/84/18/98/1022841898.db2.gz RCOBDMZTUFVVNJ-UHFFFAOYSA-N 1 1 336.435 4.097 20 30 EIEDMO CCC[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000121275987 1022848700 /nfs/dbraw/zinc/84/87/00/1022848700.db2.gz PGHWEOMKBCPJCJ-UHFFFAOYSA-N 1 1 340.496 4.026 20 30 EIEDMO CCC[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000121275987 1022848703 /nfs/dbraw/zinc/84/87/03/1022848703.db2.gz PGHWEOMKBCPJCJ-UHFFFAOYSA-N 1 1 340.496 4.026 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001143537781 1033090376 /nfs/dbraw/zinc/09/03/76/1033090376.db2.gz CIJXRDMJDFRAED-LBPRGKRZSA-N 1 1 345.258 4.294 20 30 EIEDMO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001143537781 1033090394 /nfs/dbraw/zinc/09/03/94/1033090394.db2.gz CIJXRDMJDFRAED-LBPRGKRZSA-N 1 1 345.258 4.294 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCCC#N)cc1 ZINC000588150876 1023011495 /nfs/dbraw/zinc/01/14/95/1023011495.db2.gz IZWIXRSHCRNUJT-GOSISDBHSA-N 1 1 341.499 4.151 20 30 EIEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167454330 1023015382 /nfs/dbraw/zinc/01/53/82/1023015382.db2.gz TVSXYEBMONCPBM-LJQANCHMSA-N 1 1 327.472 4.178 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510394517 1023057428 /nfs/dbraw/zinc/05/74/28/1023057428.db2.gz HFEOBBQJMNYEKW-IBGZPJMESA-N 1 1 344.462 4.284 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000510404094 1023083106 /nfs/dbraw/zinc/08/31/06/1023083106.db2.gz MPBMQOWKRDWMQI-OAQYLSRUSA-N 1 1 347.462 4.475 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000510404094 1023083121 /nfs/dbraw/zinc/08/31/21/1023083121.db2.gz MPBMQOWKRDWMQI-OAQYLSRUSA-N 1 1 347.462 4.475 20 30 EIEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125895437 1023095318 /nfs/dbraw/zinc/09/53/18/1023095318.db2.gz FZSWBDVXVWTORN-GOSISDBHSA-N 1 1 334.891 4.167 20 30 EIEDMO Fc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc(F)c1C(F)(F)F ZINC001140879845 1023120808 /nfs/dbraw/zinc/12/08/08/1023120808.db2.gz YNFVFQSCORGFOA-AOOOYVTPSA-N 1 1 341.270 4.461 20 30 EIEDMO Fc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc(F)c1C(F)(F)F ZINC001140879845 1023120811 /nfs/dbraw/zinc/12/08/11/1023120811.db2.gz YNFVFQSCORGFOA-AOOOYVTPSA-N 1 1 341.270 4.461 20 30 EIEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)c1cccc(C#N)c1 ZINC000189957534 1023184443 /nfs/dbraw/zinc/18/44/43/1023184443.db2.gz LTFNZCKAUNHNSX-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)c1cccc(C#N)c1 ZINC000189957534 1023184447 /nfs/dbraw/zinc/18/44/47/1023184447.db2.gz LTFNZCKAUNHNSX-QGZVFWFLSA-N 1 1 335.451 4.197 20 30 EIEDMO Cc1ccc(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)c(C)c1 ZINC000581463793 1023244033 /nfs/dbraw/zinc/24/40/33/1023244033.db2.gz BICVZNMOEUOQIJ-UHFFFAOYSA-N 1 1 331.459 4.250 20 30 EIEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000749515253 1023353979 /nfs/dbraw/zinc/35/39/79/1023353979.db2.gz XSBQMOZOELPUCB-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000749515253 1023353985 /nfs/dbraw/zinc/35/39/85/1023353985.db2.gz XSBQMOZOELPUCB-SFHVURJKSA-N 1 1 328.362 4.182 20 30 EIEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000549186231 1023448473 /nfs/dbraw/zinc/44/84/73/1023448473.db2.gz IVDASZRXWWAKBL-HNNXBMFYSA-N 1 1 330.472 4.244 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000276417345 1023480497 /nfs/dbraw/zinc/48/04/97/1023480497.db2.gz NGPWERHEOJFXDS-MRXNPFEDSA-N 1 1 341.499 4.310 20 30 EIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000276421145 1023485724 /nfs/dbraw/zinc/48/57/24/1023485724.db2.gz NWQJDTJTOVSOLD-UHFFFAOYSA-N 1 1 329.488 4.098 20 30 EIEDMO C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(OCC#N)cc1 ZINC000377358120 1023487023 /nfs/dbraw/zinc/48/70/23/1023487023.db2.gz LUVMHXJWKURRNB-OAHLLOKOSA-N 1 1 333.391 4.095 20 30 EIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757328 1023507894 /nfs/dbraw/zinc/50/78/94/1023507894.db2.gz XOQHLGFNYZHSEC-OAQYLSRUSA-N 1 1 338.426 4.027 20 30 EIEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000418139639 1023562870 /nfs/dbraw/zinc/56/28/70/1023562870.db2.gz HZYVZRJDTVGCIS-UHFFFAOYSA-N 1 1 336.435 4.058 20 30 EIEDMO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 ZINC000341031071 1023575600 /nfs/dbraw/zinc/57/56/00/1023575600.db2.gz CPTOEAHZUJFTIN-GOSISDBHSA-N 1 1 332.407 4.158 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@H]3c3ccccc3)n2c1 ZINC000510450029 1023596124 /nfs/dbraw/zinc/59/61/24/1023596124.db2.gz QNKXLMITBZVKHH-FQEVSTJZSA-N 1 1 330.435 4.323 20 30 EIEDMO CCC[C@H](C)[N@H+]1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361914 1023598532 /nfs/dbraw/zinc/59/85/32/1023598532.db2.gz PYROESKVSWXKAD-ZDUSSCGKSA-N 1 1 340.423 4.058 20 30 EIEDMO N#Cc1c(F)ccc(C[NH+]2CCC(c3ccncc3)CC2)c1Cl ZINC000377688387 1023685580 /nfs/dbraw/zinc/68/55/80/1023685580.db2.gz AQDWDDMOXJHYGS-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759846010 1023717297 /nfs/dbraw/zinc/71/72/97/1023717297.db2.gz VCLFOTBWOZESHB-IBGZPJMESA-N 1 1 344.817 4.072 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2cccn2)cc1 ZINC000187436493 1023785184 /nfs/dbraw/zinc/78/51/84/1023785184.db2.gz DVPBRBZCGJFSGK-CQSZACIVSA-N 1 1 336.826 4.248 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913786 1024222137 /nfs/dbraw/zinc/22/21/37/1024222137.db2.gz YDAYJYLCWIPMEG-XMSQKQJNSA-N 1 1 334.463 4.343 20 30 EIEDMO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762560 1024254806 /nfs/dbraw/zinc/25/48/06/1024254806.db2.gz BOGVICOLLYVZKM-ROUUACIJSA-N 1 1 333.479 4.434 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000605847190 1024285967 /nfs/dbraw/zinc/28/59/67/1024285967.db2.gz IUKIIYQCSDLVSH-SFHVURJKSA-N 1 1 343.515 4.169 20 30 EIEDMO Cc1nc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cs1 ZINC000066905392 1024392255 /nfs/dbraw/zinc/39/22/55/1024392255.db2.gz ZPXCVKUVLSOJLV-UHFFFAOYSA-N 1 1 349.459 4.192 20 30 EIEDMO C=C(C)CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000510748846 1024392804 /nfs/dbraw/zinc/39/28/04/1024392804.db2.gz KFTKGPIPDVIZPT-UHFFFAOYSA-N 1 1 338.289 4.396 20 30 EIEDMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n2)ccc1F ZINC000893979423 1033218088 /nfs/dbraw/zinc/21/80/88/1033218088.db2.gz KBZZQOKMYKOZIL-QWHCGFSZSA-N 1 1 330.407 4.163 20 30 EIEDMO CC(C)(C)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC001167784008 1024594945 /nfs/dbraw/zinc/59/49/45/1024594945.db2.gz DHXVJYNFDQAGKA-QFIPXVFZSA-N 1 1 347.506 4.367 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799657 /nfs/dbraw/zinc/79/96/57/1024799657.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 1 1 325.500 4.206 20 30 EIEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001167496169 1024834261 /nfs/dbraw/zinc/83/42/61/1024834261.db2.gz KLHUOWPRDZUAPF-INIZCTEOSA-N 1 1 343.414 4.010 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000662081304 1024847993 /nfs/dbraw/zinc/84/79/93/1024847993.db2.gz VOCRSALYQJZRBD-GASCZTMLSA-N 1 1 340.389 4.033 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079641 1024849177 /nfs/dbraw/zinc/84/91/77/1024849177.db2.gz LHPZYKAJOBZTKN-CWRNSKLLSA-N 1 1 327.403 4.428 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000093888799 1024916849 /nfs/dbraw/zinc/91/68/49/1024916849.db2.gz GJELZNYDGVCULC-GYCJOSAFSA-N 1 1 343.492 4.182 20 30 EIEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000535786584 1024942721 /nfs/dbraw/zinc/94/27/21/1024942721.db2.gz KNNFBBGSYHWJNQ-UHFFFAOYSA-N 1 1 333.435 4.261 20 30 EIEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000535786584 1024942725 /nfs/dbraw/zinc/94/27/25/1024942725.db2.gz KNNFBBGSYHWJNQ-UHFFFAOYSA-N 1 1 333.435 4.261 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000343902571 1025206494 /nfs/dbraw/zinc/20/64/94/1025206494.db2.gz CASJXLWTPXHERK-SFHVURJKSA-N 1 1 347.890 4.019 20 30 EIEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000343902571 1025206505 /nfs/dbraw/zinc/20/65/05/1025206505.db2.gz CASJXLWTPXHERK-SFHVURJKSA-N 1 1 347.890 4.019 20 30 EIEDMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C#N ZINC000610993029 1025227821 /nfs/dbraw/zinc/22/78/21/1025227821.db2.gz BEUFYOGQERIEEU-SFHVURJKSA-N 1 1 345.446 4.428 20 30 EIEDMO COc1ccc(CC[N@@H+](Cc2ccnc(C#N)c2)CC(C)(C)C)cc1 ZINC000610993342 1025229844 /nfs/dbraw/zinc/22/98/44/1025229844.db2.gz NMENWOMHYAHJFG-UHFFFAOYSA-N 1 1 337.467 4.053 20 30 EIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCC(C)C)C2CC2)c1C ZINC000603848678 1025332250 /nfs/dbraw/zinc/33/22/50/1025332250.db2.gz CFKSJZURUNCAAJ-UHFFFAOYSA-N 1 1 341.499 4.061 20 30 EIEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500920 1025359706 /nfs/dbraw/zinc/35/97/06/1025359706.db2.gz XQDLOEFKYUHWRD-GOEBONIOSA-N 1 1 347.890 4.016 20 30 EIEDMO N#Cc1cccc(OCC[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001167820251 1025425002 /nfs/dbraw/zinc/42/50/02/1025425002.db2.gz RRGWVSRVXIUOBM-UHFFFAOYSA-N 1 1 338.838 4.380 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000426560471 1025575678 /nfs/dbraw/zinc/57/56/78/1025575678.db2.gz QDODFWHGOOSCKY-IBGZPJMESA-N 1 1 338.451 4.210 20 30 EIEDMO C=CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000426600433 1025734745 /nfs/dbraw/zinc/73/47/45/1025734745.db2.gz HVEXULRRTVCXBF-ICSRJNTNSA-N 1 1 328.500 4.117 20 30 EIEDMO Cn1c2ccc(Cl)cc2nc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330360924 1025843532 /nfs/dbraw/zinc/84/35/32/1025843532.db2.gz XSDHPCBOAYMHAX-ZDUSSCGKSA-N 1 1 334.851 4.079 20 30 EIEDMO C=CC[N@H+](Cc1ccc(OCC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000512051499 1025848411 /nfs/dbraw/zinc/84/84/11/1025848411.db2.gz ILLLXLFRTKAWQM-UHFFFAOYSA-N 1 1 342.389 4.390 20 30 EIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(-c2ccccn2)s1 ZINC000512050287 1025849642 /nfs/dbraw/zinc/84/96/42/1025849642.db2.gz CCZXDFZVHCHGCC-UHFFFAOYSA-N 1 1 335.476 4.436 20 30 EIEDMO C[N@@H+](Cc1cccnc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000182034405 1025883862 /nfs/dbraw/zinc/88/38/62/1025883862.db2.gz HSAOVSLVKCTZEY-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO COC(=O)c1cccc(-c2ccc(N[C@H]3CC[C@H](C#N)CC3)[nH+]c2C)c1 ZINC001167842385 1025900410 /nfs/dbraw/zinc/90/04/10/1025900410.db2.gz IRVCQHBNEDVCQY-RZDIXWSQSA-N 1 1 349.434 4.338 20 30 EIEDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000051381282 1025949433 /nfs/dbraw/zinc/94/94/33/1025949433.db2.gz FQYXVOLZFTVBOA-UHFFFAOYSA-N 1 1 341.436 4.432 20 30 EIEDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000051381282 1025949467 /nfs/dbraw/zinc/94/94/67/1025949467.db2.gz FQYXVOLZFTVBOA-UHFFFAOYSA-N 1 1 341.436 4.432 20 30 EIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533990 1025986249 /nfs/dbraw/zinc/98/62/49/1025986249.db2.gz PKYOEVQEMKTHNF-RBUKOAKNSA-N 1 1 330.447 4.257 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c(Cl)c1 ZINC000450930283 1026152311 /nfs/dbraw/zinc/15/23/11/1026152311.db2.gz MBIUKAIGFVYDSR-UHFFFAOYSA-N 1 1 329.806 4.067 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000512188049 1026287580 /nfs/dbraw/zinc/28/75/80/1026287580.db2.gz VCJIGRSININNHS-OAHLLOKOSA-N 1 1 344.411 4.128 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000512188049 1026287594 /nfs/dbraw/zinc/28/75/94/1026287594.db2.gz VCJIGRSININNHS-OAHLLOKOSA-N 1 1 344.411 4.128 20 30 EIEDMO Fc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143442148 1026311398 /nfs/dbraw/zinc/31/13/98/1026311398.db2.gz GBTDJTBCTUAWKY-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO Fc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1OC(F)(F)F ZINC001143442148 1026311415 /nfs/dbraw/zinc/31/14/15/1026311415.db2.gz GBTDJTBCTUAWKY-VIFPVBQESA-N 1 1 331.231 4.109 20 30 EIEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224421 1026354030 /nfs/dbraw/zinc/35/40/30/1026354030.db2.gz DMNMXCMEYHBCFF-DOTOQJQBSA-N 1 1 330.453 4.081 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)c(F)c1 ZINC000611584580 1026405551 /nfs/dbraw/zinc/40/55/51/1026405551.db2.gz KSRSMHAEXSEERI-UHFFFAOYSA-N 1 1 325.774 4.189 20 30 EIEDMO Cc1ccc(N2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H](C)C2)cc1C ZINC001167562479 1026430032 /nfs/dbraw/zinc/43/00/32/1026430032.db2.gz LRXNXZVFXUBHAR-IBGZPJMESA-N 1 1 336.454 4.005 20 30 EIEDMO Cc1ccc(N2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H](C)C2)cc1C ZINC001167562479 1026430050 /nfs/dbraw/zinc/43/00/50/1026430050.db2.gz LRXNXZVFXUBHAR-IBGZPJMESA-N 1 1 336.454 4.005 20 30 EIEDMO COC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000279681334 1026594135 /nfs/dbraw/zinc/59/41/35/1026594135.db2.gz HFMQQYIBJQJVET-SFHVURJKSA-N 1 1 326.827 4.178 20 30 EIEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(Br)c1 ZINC000507172621 1026687024 /nfs/dbraw/zinc/68/70/24/1026687024.db2.gz GBYDBLAQTLYHLZ-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000507218075 1026706700 /nfs/dbraw/zinc/70/67/00/1026706700.db2.gz ZPMZYLBDAGEALP-UHFFFAOYSA-N 1 1 336.826 4.234 20 30 EIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360120 1026803087 /nfs/dbraw/zinc/80/30/87/1026803087.db2.gz SIAPEVLQJQJPAU-NHCUHLMSSA-N 1 1 344.462 4.364 20 30 EIEDMO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1cccc(C#N)c1 ZINC000046518407 1026922059 /nfs/dbraw/zinc/92/20/59/1026922059.db2.gz RDMZHSBDVHHOKU-UHFFFAOYSA-N 1 1 337.810 4.499 20 30 EIEDMO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1cccc(C#N)c1 ZINC000046518407 1026922070 /nfs/dbraw/zinc/92/20/70/1026922070.db2.gz RDMZHSBDVHHOKU-UHFFFAOYSA-N 1 1 337.810 4.499 20 30 EIEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000519618760 1026930518 /nfs/dbraw/zinc/93/05/18/1026930518.db2.gz XBHSFFIMZNLNMB-SFHVURJKSA-N 1 1 328.843 4.061 20 30 EIEDMO CC[N@@H+](CCCCC(C)(C)C#N)CC1CCN(c2ccccn2)CC1 ZINC000277791960 1026952154 /nfs/dbraw/zinc/95/21/54/1026952154.db2.gz SRSVGPYOICZDQI-UHFFFAOYSA-N 1 1 342.531 4.340 20 30 EIEDMO CCC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccc(C#N)cc1 ZINC000051855187 1026958386 /nfs/dbraw/zinc/95/83/86/1026958386.db2.gz SGMWPHUUDHWJLO-UHFFFAOYSA-N 1 1 346.434 4.329 20 30 EIEDMO CCC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccc(C#N)cc1 ZINC000051855187 1026958392 /nfs/dbraw/zinc/95/83/92/1026958392.db2.gz SGMWPHUUDHWJLO-UHFFFAOYSA-N 1 1 346.434 4.329 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000342806763 1027074562 /nfs/dbraw/zinc/07/45/62/1027074562.db2.gz AXPGEEMRCHCAQE-HXUWFJFHSA-N 1 1 330.435 4.034 20 30 EIEDMO C[C@@H](c1ccco1)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000440906539 1027125477 /nfs/dbraw/zinc/12/54/77/1027125477.db2.gz HWWSVFJPDMTWGZ-LBPRGKRZSA-N 1 1 332.350 4.478 20 30 EIEDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000440906539 1027125490 /nfs/dbraw/zinc/12/54/90/1027125490.db2.gz HWWSVFJPDMTWGZ-LBPRGKRZSA-N 1 1 332.350 4.478 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000520043936 1027147466 /nfs/dbraw/zinc/14/74/66/1027147466.db2.gz BJHRVCRPWIYKQG-UHFFFAOYSA-N 1 1 348.368 4.478 20 30 EIEDMO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000474593580 1027270584 /nfs/dbraw/zinc/27/05/84/1027270584.db2.gz CKMJYLBFGSUMHO-UHFFFAOYSA-N 1 1 346.902 4.121 20 30 EIEDMO C=CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000474593580 1027270605 /nfs/dbraw/zinc/27/06/05/1027270605.db2.gz CKMJYLBFGSUMHO-UHFFFAOYSA-N 1 1 346.902 4.121 20 30 EIEDMO COc1ccc(OCC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000520174040 1027276023 /nfs/dbraw/zinc/27/60/23/1027276023.db2.gz PNQYRSIXHMKBLS-UHFFFAOYSA-N 1 1 338.451 4.104 20 30 EIEDMO N#Cc1cnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c(Cl)c1 ZINC000520243421 1027347123 /nfs/dbraw/zinc/34/71/23/1027347123.db2.gz DFRRYHACHJWDQX-MRXNPFEDSA-N 1 1 332.879 4.063 20 30 EIEDMO N#Cc1cc(F)ccc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000520307391 1027411027 /nfs/dbraw/zinc/41/10/27/1027411027.db2.gz XTIOWLXXDMLUAK-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000329156561 1027616053 /nfs/dbraw/zinc/61/60/53/1027616053.db2.gz VSBCDZCKJUFZCQ-LSDHHAIUSA-N 1 1 346.471 4.192 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000329195792 1027639036 /nfs/dbraw/zinc/63/90/36/1027639036.db2.gz UKPGFCAUEIRTEK-VGUOSERISA-N 1 1 339.483 4.183 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1F ZINC000550393692 1027744796 /nfs/dbraw/zinc/74/47/96/1027744796.db2.gz ZABZYGBDQMENEV-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC[N@H+](Cc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141904772 1027756017 /nfs/dbraw/zinc/75/60/17/1027756017.db2.gz CRQMTNKOYPFYLA-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO CC[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141904772 1027756033 /nfs/dbraw/zinc/75/60/33/1027756033.db2.gz CRQMTNKOYPFYLA-UHFFFAOYSA-N 1 1 335.270 4.404 20 30 EIEDMO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000329449216 1027786057 /nfs/dbraw/zinc/78/60/57/1027786057.db2.gz MNRYMTFQUMJSAY-LESCRADOSA-N 1 1 345.487 4.017 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000067368027 1027788907 /nfs/dbraw/zinc/78/89/07/1027788907.db2.gz QUIHOWKHCQZYTH-UHFFFAOYSA-N 1 1 328.847 4.059 20 30 EIEDMO CCOc1cc2c(cc1NC(=O)CC[N@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC000328753401 1027804256 /nfs/dbraw/zinc/80/42/56/1027804256.db2.gz DGQIZKMAJZAKKY-CABCVRRESA-N 1 1 346.471 4.261 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000328752013 1027804650 /nfs/dbraw/zinc/80/46/50/1027804650.db2.gz CRNJCJSOVYQRDS-MRXNPFEDSA-N 1 1 343.471 4.056 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1 ZINC000583003642 1027828561 /nfs/dbraw/zinc/82/85/61/1027828561.db2.gz OTOFRBNHPYIKGT-UHFFFAOYSA-N 1 1 335.451 4.108 20 30 EIEDMO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328914470 1027836077 /nfs/dbraw/zinc/83/60/77/1027836077.db2.gz QFBQUZMRVNDQQG-DNVCBOLYSA-N 1 1 330.472 4.077 20 30 EIEDMO Cc1csc(C2([NH2+][C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CCC2)n1 ZINC000329597982 1027870943 /nfs/dbraw/zinc/87/09/43/1027870943.db2.gz JECDXHCRTOIQOL-BPLDGKMQSA-N 1 1 335.517 4.344 20 30 EIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000444591421 1027878889 /nfs/dbraw/zinc/87/88/89/1027878889.db2.gz NNYHAUUJWMGNBV-KRWDZBQOSA-N 1 1 330.472 4.258 20 30 EIEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000444594894 1027881915 /nfs/dbraw/zinc/88/19/15/1027881915.db2.gz KNZAZDIPZQXCQL-UHFFFAOYSA-N 1 1 347.547 4.211 20 30 EIEDMO COc1ccccc1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000444597519 1027894151 /nfs/dbraw/zinc/89/41/51/1027894151.db2.gz RPMPVPSTXIQQEH-IBGZPJMESA-N 1 1 344.499 4.396 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000216233456 1027896495 /nfs/dbraw/zinc/89/64/95/1027896495.db2.gz ALKGSWVSCJDPAI-XLIONFOSSA-N 1 1 349.478 4.392 20 30 EIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000216233456 1027896498 /nfs/dbraw/zinc/89/64/98/1027896498.db2.gz ALKGSWVSCJDPAI-XLIONFOSSA-N 1 1 349.478 4.392 20 30 EIEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000444661301 1027931513 /nfs/dbraw/zinc/93/15/13/1027931513.db2.gz AGMVKWFHOVOKGS-UHFFFAOYSA-N 1 1 337.870 4.321 20 30 EIEDMO C=CC[N@@H+](CCOC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444698006 1027983098 /nfs/dbraw/zinc/98/30/98/1027983098.db2.gz RMLQSEAEFMYEDZ-UHFFFAOYSA-N 1 1 334.463 4.021 20 30 EIEDMO Cc1cc(C)cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000444711842 1028001589 /nfs/dbraw/zinc/00/15/89/1028001589.db2.gz XQYKVYJPHACOCX-UHFFFAOYSA-N 1 1 344.462 4.208 20 30 EIEDMO C[N@@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000536337685 1028034227 /nfs/dbraw/zinc/03/42/27/1028034227.db2.gz FTFNUKKHZVCILQ-HOTGVXAUSA-N 1 1 347.249 4.117 20 30 EIEDMO C[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000536337685 1028034246 /nfs/dbraw/zinc/03/42/46/1028034246.db2.gz FTFNUKKHZVCILQ-HOTGVXAUSA-N 1 1 347.249 4.117 20 30 EIEDMO C=CC[C@H]1[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784027 1028055261 /nfs/dbraw/zinc/05/52/61/1028055261.db2.gz MNTYZUCZEJNYOX-QGZVFWFLSA-N 1 1 346.427 4.028 20 30 EIEDMO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167656286 1028107659 /nfs/dbraw/zinc/10/76/59/1028107659.db2.gz IIYJCZWUAIUFAS-HXUWFJFHSA-N 1 1 335.407 4.222 20 30 EIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167656286 1028107663 /nfs/dbraw/zinc/10/76/63/1028107663.db2.gz IIYJCZWUAIUFAS-HXUWFJFHSA-N 1 1 335.407 4.222 20 30 EIEDMO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329758849 1028114282 /nfs/dbraw/zinc/11/42/82/1028114282.db2.gz ODVYNTKIVSUYNJ-NBQZKYEYSA-N 1 1 345.487 4.017 20 30 EIEDMO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329758850 1028114388 /nfs/dbraw/zinc/11/43/88/1028114388.db2.gz ODVYNTKIVSUYNJ-UVFQYZLESA-N 1 1 345.487 4.017 20 30 EIEDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2sccc2C#N)CCS1 ZINC000329780176 1028119701 /nfs/dbraw/zinc/11/97/01/1028119701.db2.gz RQTQBHLXOBAJFO-UHFFFAOYSA-N 1 1 337.514 4.205 20 30 EIEDMO C[C@@H](C(=O)Nc1csc(-c2ccncc2)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329922576 1028155312 /nfs/dbraw/zinc/15/53/12/1028155312.db2.gz IBNSCVYCJOQFOU-XQQFMLRXSA-N 1 1 330.457 4.054 20 30 EIEDMO CC(C)[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(C#N)cc1 ZINC000346143543 1028279614 /nfs/dbraw/zinc/27/96/14/1028279614.db2.gz DITHDDYHEZWPJH-UHFFFAOYSA-N 1 1 336.464 4.216 20 30 EIEDMO Cc1cc(C)n(-c2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)n1 ZINC000330297674 1028283297 /nfs/dbraw/zinc/28/32/97/1028283297.db2.gz LAMUOLMLFMUPPA-SFHVURJKSA-N 1 1 340.471 4.342 20 30 EIEDMO CCC1(CC)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000346473635 1028446473 /nfs/dbraw/zinc/44/64/73/1028446473.db2.gz RGWHZISKFBKMAH-UHFFFAOYSA-N 1 1 333.501 4.241 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000583317309 1028499095 /nfs/dbraw/zinc/49/90/95/1028499095.db2.gz CZCJMTQLHKGWRG-JXFKEZNVSA-N 1 1 331.419 4.210 20 30 EIEDMO C=CCOc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000668674464 1028632310 /nfs/dbraw/zinc/63/23/10/1028632310.db2.gz ALFVTXUXDSJZFR-FQEVSTJZSA-N 1 1 339.435 4.198 20 30 EIEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000668674464 1028632325 /nfs/dbraw/zinc/63/23/25/1028632325.db2.gz ALFVTXUXDSJZFR-FQEVSTJZSA-N 1 1 339.435 4.198 20 30 EIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000444057431 1028770192 /nfs/dbraw/zinc/77/01/92/1028770192.db2.gz MSSTWBWBXXGNDZ-UHFFFAOYSA-N 1 1 341.842 4.062 20 30 EIEDMO CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000524252702 1028816712 /nfs/dbraw/zinc/81/67/12/1028816712.db2.gz WRCGOVRSQHMBLJ-GOSISDBHSA-N 1 1 349.478 4.038 20 30 EIEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)CCOCC1 ZINC000281963983 1029025694 /nfs/dbraw/zinc/02/56/94/1029025694.db2.gz KPNXZPMPWLIENR-SFHVURJKSA-N 1 1 346.902 4.447 20 30 EIEDMO N#Cc1ccc(Cl)cc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000522936281 1029117401 /nfs/dbraw/zinc/11/74/01/1029117401.db2.gz VQMLZGGXUNCGFI-UHFFFAOYSA-N 1 1 325.843 4.072 20 30 EIEDMO C=CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000524811924 1029236818 /nfs/dbraw/zinc/23/68/18/1029236818.db2.gz UCHWSAQKNQNAPM-UHFFFAOYSA-N 1 1 339.414 4.404 20 30 EIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000343583030 1029539993 /nfs/dbraw/zinc/53/99/93/1029539993.db2.gz RJQQNFILRDBPPJ-AWEZNQCLSA-N 1 1 337.398 4.032 20 30 EIEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000525270911 1029543341 /nfs/dbraw/zinc/54/33/41/1029543341.db2.gz KUDWSQTVJMGDLA-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000525270911 1029543347 /nfs/dbraw/zinc/54/33/47/1029543347.db2.gz KUDWSQTVJMGDLA-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO C=C(C)COCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000544381610 1029645521 /nfs/dbraw/zinc/64/55/21/1029645521.db2.gz DNMGVNAVDBTDPM-LJQANCHMSA-N 1 1 344.411 4.022 20 30 EIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000584315364 1029731556 /nfs/dbraw/zinc/73/15/56/1029731556.db2.gz VOWKLXJOVVDGMD-UHFFFAOYSA-N 1 1 336.460 4.422 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278723424 1029737064 /nfs/dbraw/zinc/73/70/64/1029737064.db2.gz KTDLLGPALAMIFA-LLVKDONJSA-N 1 1 347.178 4.095 20 30 EIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278723424 1029737074 /nfs/dbraw/zinc/73/70/74/1029737074.db2.gz KTDLLGPALAMIFA-LLVKDONJSA-N 1 1 347.178 4.095 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)c(F)c1 ZINC000187784897 1029788089 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346.434 4.418 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450980480 1030157688 /nfs/dbraw/zinc/15/76/88/1030157688.db2.gz FCYANIBEJWOJRG-WIYYLYMNSA-N 1 1 341.499 4.007 20 30 EIEDMO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000447559591 1030168431 /nfs/dbraw/zinc/16/84/31/1030168431.db2.gz ABRMQURRENYQCC-OAQYLSRUSA-N 1 1 325.500 4.396 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178813 1030286480 /nfs/dbraw/zinc/28/64/80/1030286480.db2.gz BCTMAIQTRXFACZ-FUHIMQAGSA-N 1 1 347.462 4.153 20 30 EIEDMO CC(C)[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000447742567 1030315918 /nfs/dbraw/zinc/31/59/18/1030315918.db2.gz QHTCUMWPIDJDAE-UHFFFAOYSA-N 1 1 339.386 4.444 20 30 EIEDMO CC(C)[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000447742567 1030315936 /nfs/dbraw/zinc/31/59/36/1030315936.db2.gz QHTCUMWPIDJDAE-UHFFFAOYSA-N 1 1 339.386 4.444 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 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CC(C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000532604816 1031397256 /nfs/dbraw/zinc/39/72/56/1031397256.db2.gz QUWPVCOTXIRKIK-UHFFFAOYSA-N 1 1 348.368 4.242 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616783 1031432286 /nfs/dbraw/zinc/43/22/86/1031432286.db2.gz UKRRAXCOJSRMJQ-RDJZCZTQSA-N 1 1 328.456 4.063 20 30 EIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2C#N)CC1 ZINC000531654860 1031449310 /nfs/dbraw/zinc/44/93/10/1031449310.db2.gz ADOWXTZZBUXGSR-GOSISDBHSA-N 1 1 325.500 4.035 20 30 EIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2C#N)CC1 ZINC000531654860 1031449319 /nfs/dbraw/zinc/44/93/19/1031449319.db2.gz ADOWXTZZBUXGSR-GOSISDBHSA-N 1 1 325.500 4.035 20 30 EIEDMO CC(C)(C#N)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000612585226 1031679687 /nfs/dbraw/zinc/67/96/87/1031679687.db2.gz SJXSCDFTPLVSAK-UHFFFAOYSA-N 1 1 341.842 4.232 20 30 EIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119076069 1031739705 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4.174 20 30 EIEDMO CC[N@@H+](CCC1CCN(c2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000536618960 1031927059 /nfs/dbraw/zinc/92/70/59/1031927059.db2.gz QDULPMIJXDYMJR-UHFFFAOYSA-N 1 1 329.463 4.036 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(O)ccc2Br)cc1 ZINC000512552391 1033334606 /nfs/dbraw/zinc/33/46/06/1033334606.db2.gz NMFKMRMDZKSLFZ-UHFFFAOYSA-N 1 1 348.240 4.009 20 30 EIEDMO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)cc1F ZINC000512610761 1033493081 /nfs/dbraw/zinc/49/30/81/1033493081.db2.gz DSPSMZGODKUFTM-SECBINFHSA-N 1 1 339.233 4.372 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c(F)c1 ZINC000067121607 1033525236 /nfs/dbraw/zinc/52/52/36/1033525236.db2.gz VTGPWZHGBBEXMO-UHFFFAOYSA-N 1 1 340.732 4.242 20 30 EIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000614166077 1033540611 /nfs/dbraw/zinc/54/06/11/1033540611.db2.gz WAAOJTANUGBTNC-NRFANRHFSA-N 1 1 334.463 4.451 20 30 EIEDMO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512631170 1033552796 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348.425 4.354 20 30 EIEDMO C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000512666374 1033658594 /nfs/dbraw/zinc/65/85/94/1033658594.db2.gz KFCLFVRTQPUUEI-KSSFIOAISA-N 1 1 343.471 4.247 20 30 EIEDMO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669124 1033671002 /nfs/dbraw/zinc/67/10/02/1033671002.db2.gz YQELZHMIYIXYLJ-IIBYNOLFSA-N 1 1 339.458 4.431 20 30 EIEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672791 1033682778 /nfs/dbraw/zinc/68/27/78/1033682778.db2.gz MLSJGNIIHDBQFR-LIRRHRJNSA-N 1 1 345.487 4.493 20 30 EIEDMO CCN(C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1)CC(F)(F)F ZINC000411306673 1033825819 /nfs/dbraw/zinc/82/58/19/1033825819.db2.gz LPXNINXYJFBJAY-MRXNPFEDSA-N 1 1 345.453 4.057 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614236022 1033870322 /nfs/dbraw/zinc/87/03/22/1033870322.db2.gz WKOMKQBFUTXQNU-PKOBYXMFSA-N 1 1 344.462 4.381 20 30 EIEDMO N#CCCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000512796389 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338.455 4.255 20 30 EIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000614396018 1034532914 /nfs/dbraw/zinc/53/29/14/1034532914.db2.gz OTZNFFRPVLHHJP-FQEVSTJZSA-N 1 1 336.435 4.221 20 30 EIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000614402832 1034551023 /nfs/dbraw/zinc/55/10/23/1034551023.db2.gz KWDADQXBFQMRSJ-QGZVFWFLSA-N 1 1 335.451 4.106 20 30 EIEDMO N#CCOc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000729266672 1034768134 /nfs/dbraw/zinc/76/81/34/1034768134.db2.gz BSCDHLZDJRDGOA-UHFFFAOYSA-N 1 1 332.403 4.384 20 30 EIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000729266672 1034768145 /nfs/dbraw/zinc/76/81/45/1034768145.db2.gz BSCDHLZDJRDGOA-UHFFFAOYSA-N 1 1 332.403 4.384 20 30 EIEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267276 1034769282 /nfs/dbraw/zinc/76/92/82/1034769282.db2.gz OYVFNTNEROJFIB-QRWLVFNGSA-N 1 1 336.435 4.470 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000729316536 1034781989 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CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595297828 1035627060 /nfs/dbraw/zinc/62/70/60/1035627060.db2.gz ZAPPSMQKPKOYDL-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595297828 1035627117 /nfs/dbraw/zinc/62/71/17/1035627117.db2.gz ZAPPSMQKPKOYDL-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595307146 1035640399 /nfs/dbraw/zinc/64/03/99/1035640399.db2.gz SPDOLGDRYUYOLT-JOCHJYFZSA-N 1 1 333.479 4.095 20 30 EIEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000574973809 1035646053 /nfs/dbraw/zinc/64/60/53/1035646053.db2.gz ICEZCRKQUXXWSB-IYOUNJFTSA-N 1 1 337.471 4.308 20 30 EIEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000574973811 1035647807 /nfs/dbraw/zinc/64/78/07/1035647807.db2.gz ICEZCRKQUXXWSB-SUNYJGFJSA-N 1 1 337.471 4.308 20 30 EIEDMO C[C@H](N[C@@H](C#N)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 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AQHXVUNPZSRMMA-UHFFFAOYSA-N 1 1 338.455 4.256 20 30 EIEDMO C[C@@]1(C#N)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595843197 1035797493 /nfs/dbraw/zinc/79/74/93/1035797493.db2.gz JCCDWZNDCCUMQT-NRFANRHFSA-N 1 1 329.447 4.122 20 30 EIEDMO C[C@@]1(C#N)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595843197 1035797512 /nfs/dbraw/zinc/79/75/12/1035797512.db2.gz JCCDWZNDCCUMQT-NRFANRHFSA-N 1 1 329.447 4.122 20 30 EIEDMO CC(C)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCC1 ZINC000491093208 1035805577 /nfs/dbraw/zinc/80/55/77/1035805577.db2.gz UFWDSJCMUKZSKU-UHFFFAOYSA-N 1 1 336.483 4.359 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094387 1035821503 /nfs/dbraw/zinc/82/15/03/1035821503.db2.gz LVBOIWBBOGGPHD-UGKGYDQZSA-N 1 1 337.511 4.037 20 30 EIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094387 1035821506 /nfs/dbraw/zinc/82/15/06/1035821506.db2.gz LVBOIWBBOGGPHD-UGKGYDQZSA-N 1 1 337.511 4.037 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](C(C)C)C2CCCCC2)c(C#N)c1C ZINC000491184661 1035822930 /nfs/dbraw/zinc/82/29/30/1035822930.db2.gz APELYJYKAKALBB-UHFFFAOYSA-N 1 1 333.501 4.218 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779805 1035844468 /nfs/dbraw/zinc/84/44/68/1035844468.db2.gz FSNAXNOMHMNOBN-UHFFFAOYSA-N 1 1 338.451 4.151 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000905851478 1035944770 /nfs/dbraw/zinc/94/47/70/1035944770.db2.gz WDBDZSRFNIFVIB-ZDUSSCGKSA-N 1 1 342.240 4.135 20 30 EIEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597009564 1036068044 /nfs/dbraw/zinc/06/80/44/1036068044.db2.gz TZTKNORKAGDPAZ-OAQYLSRUSA-N 1 1 332.447 4.124 20 30 EIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597009564 1036068068 /nfs/dbraw/zinc/06/80/68/1036068068.db2.gz TZTKNORKAGDPAZ-OAQYLSRUSA-N 1 1 332.447 4.124 20 30 EIEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597009562 1036069568 /nfs/dbraw/zinc/06/95/68/1036069568.db2.gz TZTKNORKAGDPAZ-NRFANRHFSA-N 1 1 332.447 4.124 20 30 EIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597009562 1036069591 /nfs/dbraw/zinc/06/95/91/1036069591.db2.gz TZTKNORKAGDPAZ-NRFANRHFSA-N 1 1 332.447 4.124 20 30 EIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000597177622 1036140634 /nfs/dbraw/zinc/14/06/34/1036140634.db2.gz QOFVAKIVQKIMFV-GFCCVEGCSA-N 1 1 333.407 4.214 20 30 EIEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000597177622 1036140640 /nfs/dbraw/zinc/14/06/40/1036140640.db2.gz QOFVAKIVQKIMFV-GFCCVEGCSA-N 1 1 333.407 4.214 20 30 EIEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)nn1C ZINC000502402311 1036165236 /nfs/dbraw/zinc/16/52/36/1036165236.db2.gz CQXFVKFZUJAXGY-MRXNPFEDSA-N 1 1 330.435 4.118 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000502471289 1036230070 /nfs/dbraw/zinc/23/00/70/1036230070.db2.gz WAVXSMURRKRRIG-MRXNPFEDSA-N 1 1 342.870 4.033 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000502471289 1036230094 /nfs/dbraw/zinc/23/00/94/1036230094.db2.gz WAVXSMURRKRRIG-MRXNPFEDSA-N 1 1 342.870 4.033 20 30 EIEDMO CCN(C(=O)CCCCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000588648177 1036386880 /nfs/dbraw/zinc/38/68/80/1036386880.db2.gz CJQGHXHOCHDZNX-UYAOXDASSA-N 1 1 341.499 4.144 20 30 EIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618812415 1036420665 /nfs/dbraw/zinc/42/06/65/1036420665.db2.gz PKNJFKFXQCCDEL-UHFFFAOYSA-N 1 1 325.415 4.396 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000602456619 1036453288 /nfs/dbraw/zinc/45/32/88/1036453288.db2.gz AWSGLNYWYJMZJQ-QGZVFWFLSA-N 1 1 325.431 4.205 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480850 1036462962 /nfs/dbraw/zinc/46/29/62/1036462962.db2.gz CUMMXKIEQKSOEI-CZUORRHYSA-N 1 1 326.362 4.019 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602480850 1036462975 /nfs/dbraw/zinc/46/29/75/1036462975.db2.gz CUMMXKIEQKSOEI-CZUORRHYSA-N 1 1 326.362 4.019 20 30 EIEDMO CCCCOc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1Cl ZINC000602632716 1036544814 /nfs/dbraw/zinc/54/48/14/1036544814.db2.gz YWBBRGQLRPOLSQ-UHFFFAOYSA-N 1 1 329.831 4.075 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671837 1036551268 /nfs/dbraw/zinc/55/12/68/1036551268.db2.gz KHGSLSBIQCLDQK-JKIFEVAISA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H](CCC#N)C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000602715526 1036587614 /nfs/dbraw/zinc/58/76/14/1036587614.db2.gz OEPJVGDUHNFASZ-LLVKDONJSA-N 1 1 331.204 4.070 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889957 1036663976 /nfs/dbraw/zinc/66/39/76/1036663976.db2.gz XNXZZIBVLNLHNY-KXBFYZLASA-N 1 1 328.419 4.052 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000589183633 1036702367 /nfs/dbraw/zinc/70/23/67/1036702367.db2.gz ATJQALQNFKRZAX-UHFFFAOYSA-N 1 1 340.370 4.193 20 30 EIEDMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594212 1036708989 /nfs/dbraw/zinc/70/89/89/1036708989.db2.gz ZVPVKZFTKADOMV-AAEUAGOBSA-N 1 1 341.282 4.213 20 30 EIEDMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594212 1036709003 /nfs/dbraw/zinc/70/90/03/1036709003.db2.gz ZVPVKZFTKADOMV-AAEUAGOBSA-N 1 1 341.282 4.213 20 30 EIEDMO C[C@H](NC(C)(C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341698 1036739946 /nfs/dbraw/zinc/73/99/46/1036739946.db2.gz HMPWBZGYAJCWGA-HRAATJIYSA-N 1 1 333.479 4.265 20 30 EIEDMO C[NH+](C)Cc1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)ccc1Cl ZINC000907966593 1036771512 /nfs/dbraw/zinc/77/15/12/1036771512.db2.gz FFRYCJJQEYOTQH-TYJKZOGGSA-N 1 1 345.874 4.060 20 30 EIEDMO COc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)cc1C#N ZINC000761310989 1036836842 /nfs/dbraw/zinc/83/68/42/1036836842.db2.gz BDZICMCHJMTXJN-UHFFFAOYSA-N 1 1 326.783 4.256 20 30 EIEDMO C#CCOc1ccccc1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000761313461 1036846639 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COc1cc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)ccc1SC ZINC000599276046 1036935324 /nfs/dbraw/zinc/93/53/24/1036935324.db2.gz ZISRNXWWSNZBJI-UHFFFAOYSA-N 1 1 326.465 4.229 20 30 EIEDMO Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000599304219 1036940579 /nfs/dbraw/zinc/94/05/79/1036940579.db2.gz KEVDVAZNLGDQMI-CHWSQXEVSA-N 1 1 336.279 4.039 20 30 EIEDMO N#CCC[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000603839889 1037024759 /nfs/dbraw/zinc/02/47/59/1037024759.db2.gz BHJVEIKTHCYGBX-QGZVFWFLSA-N 1 1 345.899 4.004 20 30 EIEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585081 1037085734 /nfs/dbraw/zinc/08/57/34/1037085734.db2.gz WXETWNZHQUUNMI-CJNGLKHVSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585081 1037085749 /nfs/dbraw/zinc/08/57/49/1037085749.db2.gz WXETWNZHQUUNMI-CJNGLKHVSA-N 1 1 348.874 4.011 20 30 EIEDMO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)ccc1SC ZINC000599679148 1037129872 /nfs/dbraw/zinc/12/98/72/1037129872.db2.gz PZDFOOFJKGJGCK-UHFFFAOYSA-N 1 1 338.476 4.041 20 30 EIEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)ccc1SC ZINC000599679148 1037129884 /nfs/dbraw/zinc/12/98/84/1037129884.db2.gz PZDFOOFJKGJGCK-UHFFFAOYSA-N 1 1 338.476 4.041 20 30 EIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051101 1037271275 /nfs/dbraw/zinc/27/12/75/1037271275.db2.gz CGJHPABPODCZCG-NRFANRHFSA-N 1 1 332.447 4.220 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1C(C)C ZINC000057950500 1037322750 /nfs/dbraw/zinc/32/27/50/1037322750.db2.gz UAIPRVYZXSZISD-QGZVFWFLSA-N 1 1 345.508 4.299 20 30 EIEDMO N#Cc1cccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000057970628 1037351248 /nfs/dbraw/zinc/35/12/48/1037351248.db2.gz XLEFFBYVQLHKAL-UHFFFAOYSA-N 1 1 333.479 4.224 20 30 EIEDMO Cc1cc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294682 1037490897 /nfs/dbraw/zinc/49/08/97/1037490897.db2.gz HNIKBSLYKJBCLW-SFTDATJTSA-N 1 1 338.426 4.358 20 30 EIEDMO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573606824 1037598323 /nfs/dbraw/zinc/59/83/23/1037598323.db2.gz GCDXYZKPVUTGCJ-KRWDZBQOSA-N 1 1 340.442 4.167 20 30 EIEDMO N#CCOc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)cc1 ZINC000171768909 1037660759 /nfs/dbraw/zinc/66/07/59/1037660759.db2.gz UMXWRHGADQYECM-UHFFFAOYSA-N 1 1 341.461 4.064 20 30 EIEDMO N#CCC1(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430063250 1037721289 /nfs/dbraw/zinc/72/12/89/1037721289.db2.gz YILZEQTVNBSXAK-UHFFFAOYSA-N 1 1 347.871 4.159 20 30 EIEDMO CC[C@H](c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000488760424 1037746976 /nfs/dbraw/zinc/74/69/76/1037746976.db2.gz GIQNLLPOKGCDBF-JOCHJYFZSA-N 1 1 333.479 4.217 20 30 EIEDMO CC#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000573989626 1037802008 /nfs/dbraw/zinc/80/20/08/1037802008.db2.gz XRUJNRHSHUFFBA-GOSISDBHSA-N 1 1 334.891 4.033 20 30 EIEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCCSCC#N ZINC000593106104 1037965268 /nfs/dbraw/zinc/96/52/68/1037965268.db2.gz XKKLCQSRBMQFRU-OAHLLOKOSA-N 1 1 338.904 4.305 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000489422403 1038037636 /nfs/dbraw/zinc/03/76/36/1038037636.db2.gz FBADHTQFNOVFJD-KRWDZBQOSA-N 1 1 341.480 4.098 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000489422403 1038037660 /nfs/dbraw/zinc/03/76/60/1038037660.db2.gz FBADHTQFNOVFJD-KRWDZBQOSA-N 1 1 341.480 4.098 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000489430505 1038044293 /nfs/dbraw/zinc/04/42/93/1038044293.db2.gz PHPLXDHYAAVUHL-KRWDZBQOSA-N 1 1 341.455 4.456 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000489430505 1038044319 /nfs/dbraw/zinc/04/43/19/1038044319.db2.gz PHPLXDHYAAVUHL-KRWDZBQOSA-N 1 1 341.455 4.456 20 30 EIEDMO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235043 1038052466 /nfs/dbraw/zinc/05/24/66/1038052466.db2.gz GDYFYTSPIWKXGJ-JLTOFOAXSA-N 1 1 325.431 4.171 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224977 1038189396 /nfs/dbraw/zinc/18/93/96/1038189396.db2.gz ATNUTTPVBRDBBG-HNNXBMFYSA-N 1 1 348.874 4.155 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224977 1038189416 /nfs/dbraw/zinc/18/94/16/1038189416.db2.gz ATNUTTPVBRDBBG-HNNXBMFYSA-N 1 1 348.874 4.155 20 30 EIEDMO C=CC[N@H+](CCCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297609 1038198817 /nfs/dbraw/zinc/19/88/17/1038198817.db2.gz BLCRLAATJLIADR-UHFFFAOYSA-N 1 1 326.396 4.052 20 30 EIEDMO CCn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nc2cc(F)ccc21 ZINC000594033335 1038232561 /nfs/dbraw/zinc/23/25/61/1038232561.db2.gz MWSZOOJKUBJHGD-UHFFFAOYSA-N 1 1 348.425 4.236 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3cn4cc(Cl)ccc4n3)CCC2)cc1 ZINC000594032826 1038241910 /nfs/dbraw/zinc/24/19/10/1038241910.db2.gz QXENBIONGGZNKJ-UHFFFAOYSA-N 1 1 336.826 4.028 20 30 EIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490032796 1038309240 /nfs/dbraw/zinc/30/92/40/1038309240.db2.gz BZXOOUJGKCGOCT-KRWDZBQOSA-N 1 1 335.451 4.106 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000490038640 1038311707 /nfs/dbraw/zinc/31/17/07/1038311707.db2.gz UJGZNHRSRHQZFB-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000490038640 1038311720 /nfs/dbraw/zinc/31/17/20/1038311720.db2.gz UJGZNHRSRHQZFB-GOSISDBHSA-N 1 1 344.842 4.040 20 30 EIEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490070827 1038330434 /nfs/dbraw/zinc/33/04/34/1038330434.db2.gz IRDCJTWQCKEBNZ-SFHVURJKSA-N 1 1 349.478 4.300 20 30 EIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCCC2)cc1Cl ZINC000063551534 1038432530 /nfs/dbraw/zinc/43/25/30/1038432530.db2.gz YNWKBCUMWXJECG-SFHVURJKSA-N 1 1 345.874 4.195 20 30 EIEDMO Cc1ccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C(C)C)s1 ZINC000063565135 1038437517 /nfs/dbraw/zinc/43/75/17/1038437517.db2.gz QGRHGDHHPWTWPS-UHFFFAOYSA-N 1 1 341.480 4.167 20 30 EIEDMO N#CC1(c2ccc(C[NH2+]Cc3c(F)cc(F)c(F)c3F)cc2)CC1 ZINC000594938530 1038500594 /nfs/dbraw/zinc/50/05/94/1038500594.db2.gz MAVOPOILVZRPCB-UHFFFAOYSA-N 1 1 334.316 4.088 20 30 EIEDMO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1F ZINC000594941922 1038504313 /nfs/dbraw/zinc/50/43/13/1038504313.db2.gz CFPPDIUYXQZQDP-LBPRGKRZSA-N 1 1 328.362 4.228 20 30 EIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000424126073 1038622696 /nfs/dbraw/zinc/62/26/96/1038622696.db2.gz OOQIIACJZHPGEF-LUQKVYGDSA-N 1 1 343.430 4.374 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1C ZINC000063619631 1038661649 /nfs/dbraw/zinc/66/16/49/1038661649.db2.gz WGORZMWOPVVVEI-NRFANRHFSA-N 1 1 347.462 4.341 20 30 EIEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000055472444 1038820041 /nfs/dbraw/zinc/82/00/41/1038820041.db2.gz OQGPZIRDWFTTOZ-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000055472444 1038820042 /nfs/dbraw/zinc/82/00/42/1038820042.db2.gz OQGPZIRDWFTTOZ-UHFFFAOYSA-N 1 1 325.334 4.153 20 30 EIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000537614864 1038890919 /nfs/dbraw/zinc/89/09/19/1038890919.db2.gz FNLBCXCDAAWBBY-IBGZPJMESA-N 1 1 348.450 4.479 20 30 EIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000505030060 1038903263 /nfs/dbraw/zinc/90/32/63/1038903263.db2.gz RZMKFCZKJGHGDT-LJQANCHMSA-N 1 1 341.499 4.191 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000539389802 1039046215 /nfs/dbraw/zinc/04/62/15/1039046215.db2.gz CJHHEWOFNFEAKH-MOPGFXCFSA-N 1 1 343.515 4.037 20 30 EIEDMO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1 ZINC000481273417 1039208678 /nfs/dbraw/zinc/20/86/78/1039208678.db2.gz YDRUWKAAFRWIAD-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CCC1(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CCCCC1 ZINC000899511678 1039230264 /nfs/dbraw/zinc/23/02/64/1039230264.db2.gz RPYLGBLESCIPQR-UHFFFAOYSA-N 1 1 329.488 4.259 20 30 EIEDMO COc1cc(C[N@@H+](C)CC(C)(C)CCC#N)ccc1OC(F)F ZINC000534330857 1039326073 /nfs/dbraw/zinc/32/60/73/1039326073.db2.gz ZUAZQHDLIDLVQD-UHFFFAOYSA-N 1 1 326.387 4.058 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362563 /nfs/dbraw/zinc/36/25/63/1039362563.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362580 /nfs/dbraw/zinc/36/25/80/1039362580.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362589 /nfs/dbraw/zinc/36/25/89/1039362589.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 1 1 336.907 4.067 20 30 EIEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362609 /nfs/dbraw/zinc/36/26/09/1039362609.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 1 1 336.907 4.067 20 30 EIEDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)C#N ZINC000552318293 1039397122 /nfs/dbraw/zinc/39/71/22/1039397122.db2.gz WCWHXHUIKXZCOI-UHFFFAOYSA-N 1 1 329.425 4.305 20 30 EIEDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)C#N ZINC000552318293 1039397136 /nfs/dbraw/zinc/39/71/36/1039397136.db2.gz WCWHXHUIKXZCOI-UHFFFAOYSA-N 1 1 329.425 4.305 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1)C(C)C ZINC000456720984 1039562105 /nfs/dbraw/zinc/56/21/05/1039562105.db2.gz BJMKHLLDVHJCOW-UHFFFAOYSA-N 1 1 335.451 4.235 20 30 EIEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593864 1039571028 /nfs/dbraw/zinc/57/10/28/1039571028.db2.gz SEQXRFPBCWMGIO-SFHVURJKSA-N 1 1 342.464 4.004 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593864 1039571051 /nfs/dbraw/zinc/57/10/51/1039571051.db2.gz SEQXRFPBCWMGIO-SFHVURJKSA-N 1 1 342.464 4.004 20 30 EIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481602320 1039629534 /nfs/dbraw/zinc/62/95/34/1039629534.db2.gz FXBXCUPZMINYHO-ACJLOTCBSA-N 1 1 336.426 4.009 20 30 EIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000481627389 1039655595 /nfs/dbraw/zinc/65/55/95/1039655595.db2.gz SCJHZVWPXQMJOU-IBGZPJMESA-N 1 1 330.378 4.119 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000481627390 1039655826 /nfs/dbraw/zinc/65/58/26/1039655826.db2.gz SCJHZVWPXQMJOU-LJQANCHMSA-N 1 1 330.378 4.119 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000093667806 1039730937 /nfs/dbraw/zinc/73/09/37/1039730937.db2.gz QKCRALXISYWRLE-YLJYHZDGSA-N 1 1 348.446 4.215 20 30 EIEDMO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736085 1039758913 /nfs/dbraw/zinc/75/89/13/1039758913.db2.gz UYLRCJRNQJXHFI-WIYYLYMNSA-N 1 1 346.474 4.358 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675457 1039845293 /nfs/dbraw/zinc/84/52/93/1039845293.db2.gz YTHRIRBWEMXNIW-GCJKJVERSA-N 1 1 334.463 4.343 20 30 EIEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCCC(C)(C)C#N ZINC000434795701 1039872291 /nfs/dbraw/zinc/87/22/91/1039872291.db2.gz OAAWDCCRJRJCNZ-ROUUACIJSA-N 1 1 328.456 4.085 20 30 EIEDMO Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C(C)C)s1 ZINC000434825277 1039877453 /nfs/dbraw/zinc/87/74/53/1039877453.db2.gz BDAKDPDUKGELIN-UHFFFAOYSA-N 1 1 341.480 4.167 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689438 1039878579 /nfs/dbraw/zinc/87/85/79/1039878579.db2.gz OSLOAZINJFWYKB-BEFAXECRSA-N 1 1 336.410 4.353 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000442691372 1039880320 /nfs/dbraw/zinc/88/03/20/1039880320.db2.gz LTJPSOJVSZORMW-YOEHRIQHSA-N 1 1 326.827 4.426 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000476986032 1040098025 /nfs/dbraw/zinc/09/80/25/1040098025.db2.gz QJNXHVUDRBRMIZ-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000435269952 1040236367 /nfs/dbraw/zinc/23/63/67/1040236367.db2.gz JOJOQJACOFKBGS-FQEVSTJZSA-N 1 1 336.414 4.174 20 30 EIEDMO CCC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O ZINC000160161710 1040383304 /nfs/dbraw/zinc/38/33/04/1040383304.db2.gz VUEWZRMMUIQMPX-UHFFFAOYSA-N 1 1 347.418 4.331 20 30 EIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000539569783 1040565235 /nfs/dbraw/zinc/56/52/35/1040565235.db2.gz KGDPAEQDRCVIIM-FKSLSLAPSA-N 1 1 347.547 4.110 20 30 EIEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589283 1040594405 /nfs/dbraw/zinc/59/44/05/1040594405.db2.gz WKWVKIDKDOGIHG-CYBMUJFWSA-N 1 1 327.255 4.386 20 30 EIEDMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792511 1040655396 /nfs/dbraw/zinc/65/53/96/1040655396.db2.gz HHSSMMLZKXMDNG-HRAATJIYSA-N 1 1 343.430 4.321 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)CCc1cccc(F)c1 ZINC000515409618 1040734199 /nfs/dbraw/zinc/73/41/99/1040734199.db2.gz DPYPWBXYEBEMLC-INIZCTEOSA-N 1 1 331.431 4.310 20 30 EIEDMO C=CC[C@@H](C)[C@@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000539732759 1040747128 /nfs/dbraw/zinc/74/71/28/1040747128.db2.gz DRYOAFMMGKXYAG-SJLPKXTDSA-N 1 1 343.515 4.432 20 30 EIEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000537720601 1040784108 /nfs/dbraw/zinc/78/41/08/1040784108.db2.gz QNDKZDNHVGWQCD-UHFFFAOYSA-N 1 1 333.391 4.064 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291733 1040808808 /nfs/dbraw/zinc/80/88/08/1040808808.db2.gz RMAYHVUVVPGXTJ-ACJLOTCBSA-N 1 1 347.384 4.499 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000539819069 1040814573 /nfs/dbraw/zinc/81/45/73/1040814573.db2.gz KEVQREGJYMCIRN-IBGZPJMESA-N 1 1 335.875 4.297 20 30 EIEDMO N#Cc1ccc(C[N@H+](CCOC2CCC2)Cc2cccc(F)c2)cc1 ZINC000554241726 1040910092 /nfs/dbraw/zinc/91/00/92/1040910092.db2.gz SCNKNXMBVQYMPH-UHFFFAOYSA-N 1 1 338.426 4.269 20 30 EIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898515835 1040970170 /nfs/dbraw/zinc/97/01/70/1040970170.db2.gz GLXMCQYUJIOWPC-PMACEKPBSA-N 1 1 342.483 4.008 20 30 EIEDMO CC[N@H+](Cc1ccc(F)cc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000505782179 1041018159 /nfs/dbraw/zinc/01/81/59/1041018159.db2.gz IEPMMDAYFWQRCP-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000505782179 1041018178 /nfs/dbraw/zinc/01/81/78/1041018178.db2.gz IEPMMDAYFWQRCP-CQSZACIVSA-N 1 1 340.398 4.067 20 30 EIEDMO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000483880010 1041058275 /nfs/dbraw/zinc/05/82/75/1041058275.db2.gz AHTFDTJCQVULDW-LJQANCHMSA-N 1 1 349.563 4.276 20 30 EIEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000425518410 1041117926 /nfs/dbraw/zinc/11/79/26/1041117926.db2.gz YTKLZLJKRSSUHK-UHFFFAOYSA-N 1 1 344.842 4.254 20 30 EIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164208 1041153226 /nfs/dbraw/zinc/15/32/26/1041153226.db2.gz QXHKKPNWKJXQRI-ZWKOTPCHSA-N 1 1 348.494 4.197 20 30 EIEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529391 1041185821 /nfs/dbraw/zinc/18/58/21/1041185821.db2.gz BODOBCYLSVJRAU-OAHLLOKOSA-N 1 1 339.414 4.027 20 30 EIEDMO CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539430 1041226387 /nfs/dbraw/zinc/22/63/87/1041226387.db2.gz MPDTWYHMAULJCO-MRXNPFEDSA-N 1 1 335.451 4.313 20 30 EIEDMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539430 1041226406 /nfs/dbraw/zinc/22/64/06/1041226406.db2.gz MPDTWYHMAULJCO-MRXNPFEDSA-N 1 1 335.451 4.313 20 30 EIEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000463091188 1041328294 /nfs/dbraw/zinc/32/82/94/1041328294.db2.gz ZMIBDXGAVPBKLB-MRXNPFEDSA-N 1 1 342.874 4.070 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1F ZINC000540340849 1041400487 /nfs/dbraw/zinc/40/04/87/1041400487.db2.gz QUJWCBHCXGRKOV-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1F ZINC000540340849 1041400492 /nfs/dbraw/zinc/40/04/92/1041400492.db2.gz QUJWCBHCXGRKOV-HNNXBMFYSA-N 1 1 330.790 4.004 20 30 EIEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC000540412607 1041440120 /nfs/dbraw/zinc/44/01/20/1041440120.db2.gz QKDIAXBVZKBXJZ-LLVKDONJSA-N 1 1 348.233 4.154 20 30 EIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739894 1041448007 /nfs/dbraw/zinc/44/80/07/1041448007.db2.gz QUZBYWZWZYLNHW-HNNXBMFYSA-N 1 1 330.453 4.065 20 30 EIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739894 1041448011 /nfs/dbraw/zinc/44/80/11/1041448011.db2.gz QUZBYWZWZYLNHW-HNNXBMFYSA-N 1 1 330.453 4.065 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)cc(OC)c1O ZINC000538725318 1041516927 /nfs/dbraw/zinc/51/69/27/1041516927.db2.gz NVIBRWDHHFVALT-DLBZAZTESA-N 1 1 335.513 4.235 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463412656 1041552333 /nfs/dbraw/zinc/55/23/33/1041552333.db2.gz AXVJIDKEAHZJEA-UHFFFAOYSA-N 1 1 332.447 4.241 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440665 1041557998 /nfs/dbraw/zinc/55/79/98/1041557998.db2.gz GJQNBXMJJSFSHY-SJORKVTESA-N 1 1 340.389 4.380 20 30 EIEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000904652403 1041563051 /nfs/dbraw/zinc/56/30/51/1041563051.db2.gz AQLWXRJAHYOHMG-HNNXBMFYSA-N 1 1 340.452 4.140 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)C2CCC(F)(F)CC2)cc(OC)c1O ZINC000516514366 1041613200 /nfs/dbraw/zinc/61/32/00/1041613200.db2.gz RGLSUIWDCXAKEF-UHFFFAOYSA-N 1 1 325.399 4.139 20 30 EIEDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000437145731 1041673117 /nfs/dbraw/zinc/67/31/17/1041673117.db2.gz MYKIHYMIBSNICC-UHFFFAOYSA-N 1 1 342.446 4.353 20 30 EIEDMO CCCC[C@H](CC)CN1CCO[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183640 1041769665 /nfs/dbraw/zinc/76/96/65/1041769665.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@H](CC)C[N@@H+]1CCO[C@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183640 1041769670 /nfs/dbraw/zinc/76/96/70/1041769670.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 1 1 349.563 4.063 20 30 EIEDMO CCCC[C@H](CC)C[N@H+]1CCO[C@]2(CCCN(CCCCC#N)C2)C1 ZINC001280183640 1041769674 /nfs/dbraw/zinc/76/96/74/1041769674.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 1 1 349.563 4.063 20 30 EIEDMO CC[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000506055145 1041814275 /nfs/dbraw/zinc/81/42/75/1041814275.db2.gz AWQLAWRNYXMKTM-CQSZACIVSA-N 1 1 328.378 4.346 20 30 EIEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@@H]12 ZINC000541112094 1041819246 /nfs/dbraw/zinc/81/92/46/1041819246.db2.gz LMYCDFXGHKSGBB-UWVAXJGDSA-N 1 1 349.478 4.248 20 30 EIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314683 1041889286 /nfs/dbraw/zinc/88/92/86/1041889286.db2.gz JIIOOCXXAWGNCQ-MGPUTAFESA-N 1 1 336.435 4.159 20 30 EIEDMO C[N@@H+](Cc1ccco1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506116346 1041890814 /nfs/dbraw/zinc/89/08/14/1041890814.db2.gz VUDUSNBEODHPBD-UHFFFAOYSA-N 1 1 332.403 4.362 20 30 EIEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000541351268 1041899318 /nfs/dbraw/zinc/89/93/18/1041899318.db2.gz WTUOPKSJKDBNRP-UHFFFAOYSA-N 1 1 334.463 4.181 20 30 EIEDMO N#Cc1cccc(C2([NH2+]Cc3c(F)cccc3Cl)CCOCC2)c1 ZINC000595768634 1042089981 /nfs/dbraw/zinc/08/99/81/1042089981.db2.gz KCLUMUNZSZYQRK-UHFFFAOYSA-N 1 1 344.817 4.146 20 30 EIEDMO C=CCc1cc(C[N@H+](C)Cc2ccccc2OCC)cc(OC)c1O ZINC000506194371 1042102763 /nfs/dbraw/zinc/10/27/63/1042102763.db2.gz RNDOTKJJRCQAQJ-UHFFFAOYSA-N 1 1 341.451 4.160 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464655558 1042108228 /nfs/dbraw/zinc/10/82/28/1042108228.db2.gz IEGHABYLKGLDBC-NSHGMRRFSA-N 1 1 328.500 4.273 20 30 EIEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464761086 1042152392 /nfs/dbraw/zinc/15/23/92/1042152392.db2.gz LIWLMWGKTRSSNJ-SFHVURJKSA-N 1 1 338.476 4.051 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464860514 1042205075 /nfs/dbraw/zinc/20/50/75/1042205075.db2.gz RMHRBODBPASWRS-RBBKRZOGSA-N 1 1 332.447 4.226 20 30 EIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443656035 1042231451 /nfs/dbraw/zinc/23/14/51/1042231451.db2.gz QRQSTBMXBUYMSU-YOEHRIQHSA-N 1 1 326.827 4.426 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302999527 1042231603 /nfs/dbraw/zinc/23/16/03/1042231603.db2.gz XXIVPQGSMQOZSM-CYBMUJFWSA-N 1 1 343.298 4.238 20 30 EIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302999527 1042231610 /nfs/dbraw/zinc/23/16/10/1042231610.db2.gz XXIVPQGSMQOZSM-CYBMUJFWSA-N 1 1 343.298 4.238 20 30 EIEDMO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326761 1042310407 /nfs/dbraw/zinc/31/04/07/1042310407.db2.gz MWYUBUWLQSAHRU-OAHLLOKOSA-N 1 1 341.451 4.331 20 30 EIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncc(Br)c1 ZINC000542203009 1042332810 /nfs/dbraw/zinc/33/28/10/1042332810.db2.gz KBJHOAVGAWQGAT-UHFFFAOYSA-N 1 1 331.257 4.075 20 30 EIEDMO N#CCCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294520157 1042375361 /nfs/dbraw/zinc/37/53/61/1042375361.db2.gz ZGHIUHPUWZZCNI-HNNXBMFYSA-N 1 1 337.192 4.164 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1Cl ZINC000518208025 1042411410 /nfs/dbraw/zinc/41/14/10/1042411410.db2.gz NMIZZWBHIRQZAR-LJQANCHMSA-N 1 1 337.891 4.135 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(F)c1 ZINC000550010769 1042446771 /nfs/dbraw/zinc/44/67/71/1042446771.db2.gz XGFAZXPJPWKOIV-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(F)c1 ZINC000550010769 1042446774 /nfs/dbraw/zinc/44/67/74/1042446774.db2.gz XGFAZXPJPWKOIV-KRWDZBQOSA-N 1 1 330.790 4.004 20 30 EIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487650 1042447305 /nfs/dbraw/zinc/44/73/05/1042447305.db2.gz KFGALNJYERMLFR-QFIPXVFZSA-N 1 1 349.478 4.262 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c(F)c1 ZINC000426378809 1042618393 /nfs/dbraw/zinc/61/83/93/1042618393.db2.gz NBSJIGOWCWHRQZ-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433560 1042622974 /nfs/dbraw/zinc/62/29/74/1042622974.db2.gz ALMARIZJZOJTEO-OAHLLOKOSA-N 1 1 326.827 4.210 20 30 EIEDMO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435007 1042624463 /nfs/dbraw/zinc/62/44/63/1042624463.db2.gz GFDRCXQXBVHZFG-UHFFFAOYSA-N 1 1 333.907 4.156 20 30 EIEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435007 1042624477 /nfs/dbraw/zinc/62/44/77/1042624477.db2.gz GFDRCXQXBVHZFG-UHFFFAOYSA-N 1 1 333.907 4.156 20 30 EIEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439453219 1042636499 /nfs/dbraw/zinc/63/64/99/1042636499.db2.gz PJLQZWCNPDKENW-NSHDSACASA-N 1 1 348.805 4.219 20 30 EIEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439453217 1042636941 /nfs/dbraw/zinc/63/69/41/1042636941.db2.gz PJLQZWCNPDKENW-LLVKDONJSA-N 1 1 348.805 4.219 20 30 EIEDMO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000426395372 1042645041 /nfs/dbraw/zinc/64/50/41/1042645041.db2.gz IVXGSNWJOHLDPL-INIZCTEOSA-N 1 1 334.341 4.190 20 30 EIEDMO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000426395372 1042645044 /nfs/dbraw/zinc/64/50/44/1042645044.db2.gz IVXGSNWJOHLDPL-INIZCTEOSA-N 1 1 334.341 4.190 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCc2ccccc21 ZINC000492461444 1042665705 /nfs/dbraw/zinc/66/57/05/1042665705.db2.gz KXSALEKMAZJKDK-GOSISDBHSA-N 1 1 341.252 4.440 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCc2ccccc21 ZINC000492461444 1042665714 /nfs/dbraw/zinc/66/57/14/1042665714.db2.gz KXSALEKMAZJKDK-GOSISDBHSA-N 1 1 341.252 4.440 20 30 EIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000439694820 1042736981 /nfs/dbraw/zinc/73/69/81/1042736981.db2.gz XAJIYGDEXVULGD-GOSISDBHSA-N 1 1 337.442 4.046 20 30 EIEDMO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002743 1042742439 /nfs/dbraw/zinc/74/24/39/1042742439.db2.gz PZRKRFXCJMPHKQ-GCJKJVERSA-N 1 1 333.479 4.009 20 30 EIEDMO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002743 1042742443 /nfs/dbraw/zinc/74/24/43/1042742443.db2.gz PZRKRFXCJMPHKQ-GCJKJVERSA-N 1 1 333.479 4.009 20 30 EIEDMO CCN(C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1)CC(F)(F)F ZINC000929783548 1042750094 /nfs/dbraw/zinc/75/00/94/1042750094.db2.gz ZZBVLWXJCDCHMW-INIZCTEOSA-N 1 1 345.453 4.057 20 30 EIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425115 1042851995 /nfs/dbraw/zinc/85/19/95/1042851995.db2.gz AFNDMDOKRHFNTI-OAHLLOKOSA-N 1 1 326.415 4.017 20 30 EIEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005225 1042963637 /nfs/dbraw/zinc/96/36/37/1042963637.db2.gz IBGWXYNNPDDKTQ-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005225 1042963641 /nfs/dbraw/zinc/96/36/41/1042963641.db2.gz IBGWXYNNPDDKTQ-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005225 1042963646 /nfs/dbraw/zinc/96/36/46/1042963646.db2.gz IBGWXYNNPDDKTQ-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168005225 1042963652 /nfs/dbraw/zinc/96/36/52/1042963652.db2.gz IBGWXYNNPDDKTQ-OPMZPASUSA-N 1 1 333.479 4.089 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1cccc(C#N)c1 ZINC000614634077 1042964685 /nfs/dbraw/zinc/96/46/85/1042964685.db2.gz YRIORVABURIOCK-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599548 1043118020 /nfs/dbraw/zinc/11/80/20/1043118020.db2.gz LVVNPXFEUPQXQO-QWHCGFSZSA-N 1 1 333.863 4.049 20 30 EIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000487403157 1043170575 /nfs/dbraw/zinc/17/05/75/1043170575.db2.gz VNQBYCZIHNUZOI-NRFANRHFSA-N 1 1 334.463 4.234 20 30 EIEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000077195050 1043255167 /nfs/dbraw/zinc/25/51/67/1043255167.db2.gz GPTCYJNIYKCFJY-QGZVFWFLSA-N 1 1 339.464 4.176 20 30 EIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000077195050 1043255176 /nfs/dbraw/zinc/25/51/76/1043255176.db2.gz GPTCYJNIYKCFJY-QGZVFWFLSA-N 1 1 339.464 4.176 20 30 EIEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366865398 1043306302 /nfs/dbraw/zinc/30/63/02/1043306302.db2.gz CKCCBEPZHHPFAR-QUCCMNQESA-N 1 1 326.484 4.355 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCC(c3ncccc3Cl)CC2)c1F ZINC000429202847 1043313824 /nfs/dbraw/zinc/31/38/24/1043313824.db2.gz KMKULSLHQZSMHL-UHFFFAOYSA-N 1 1 329.806 4.125 20 30 EIEDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000282509989 1043332474 /nfs/dbraw/zinc/33/24/74/1043332474.db2.gz RWZPOWVNMWXXBG-OAHLLOKOSA-N 1 1 345.512 4.141 20 30 EIEDMO Fc1ccc(C#CC[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429219060 1043374552 /nfs/dbraw/zinc/37/45/52/1043374552.db2.gz JSLBKLKMPBUYFI-UHFFFAOYSA-N 1 1 328.818 4.105 20 30 EIEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1c1ccccc1 ZINC000366893331 1043442153 /nfs/dbraw/zinc/44/21/53/1043442153.db2.gz GSNOGMWLFCMMCR-ICSRJNTNSA-N 1 1 326.484 4.213 20 30 EIEDMO COc1cc(C[NH2+]Cc2cc(Cl)sc2Cl)ccc1C#N ZINC000312770724 1043556482 /nfs/dbraw/zinc/55/64/82/1043556482.db2.gz XIIDGYUGRUOYFQ-UHFFFAOYSA-N 1 1 327.236 4.225 20 30 EIEDMO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1csc(C#N)c1 ZINC000922128183 1043581815 /nfs/dbraw/zinc/58/18/15/1043581815.db2.gz GRSSTHWAURJMEU-UHFFFAOYSA-N 1 1 329.469 4.120 20 30 EIEDMO C[C@H]1Cc2cc(-c3ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc3)ccc2O1 ZINC000521280289 1043680327 /nfs/dbraw/zinc/68/03/27/1043680327.db2.gz UFJVLBRKUXSGHA-FUHWJXTLSA-N 1 1 345.446 4.210 20 30 EIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731355790 1043740108 /nfs/dbraw/zinc/74/01/08/1043740108.db2.gz IASWSRQBOOXMHR-QGZVFWFLSA-N 1 1 338.451 4.051 20 30 EIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000114733248 1043740789 /nfs/dbraw/zinc/74/07/89/1043740789.db2.gz WQUYOFOVUHKDKV-YOEHRIQHSA-N 1 1 339.464 4.092 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2OC)s1 ZINC000121039531 1043799822 /nfs/dbraw/zinc/79/98/22/1043799822.db2.gz DKMLJWNMOVDSLT-ZDUSSCGKSA-N 1 1 329.469 4.087 20 30 EIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC)s1 ZINC000121039531 1043799841 /nfs/dbraw/zinc/79/98/41/1043799841.db2.gz DKMLJWNMOVDSLT-ZDUSSCGKSA-N 1 1 329.469 4.087 20 30 EIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574901 1043804081 /nfs/dbraw/zinc/80/40/81/1043804081.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574901 1043804090 /nfs/dbraw/zinc/80/40/90/1043804090.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 1 1 333.479 4.043 20 30 EIEDMO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574901 1043804094 /nfs/dbraw/zinc/80/40/94/1043804094.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 1 1 333.479 4.043 20 30 EIEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000732183235 1043883306 /nfs/dbraw/zinc/88/33/06/1043883306.db2.gz NFDWJOSINYWQRG-HNNXBMFYSA-N 1 1 339.464 4.354 20 30 EIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000543138877 1043952928 /nfs/dbraw/zinc/95/29/28/1043952928.db2.gz MPHBYWBPNHCXMS-UHFFFAOYSA-N 1 1 334.341 4.283 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1 ZINC000733332012 1044197694 /nfs/dbraw/zinc/19/76/94/1044197694.db2.gz WADRZQZQTHQJMF-UHFFFAOYSA-N 1 1 337.448 4.060 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278842 1044199031 /nfs/dbraw/zinc/19/90/31/1044199031.db2.gz YXWGKWQTGYFJKP-NLWGTHIKSA-N 1 1 328.500 4.006 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)n1 ZINC000766137342 1044314720 /nfs/dbraw/zinc/31/47/20/1044314720.db2.gz SUGSPUZMQOYFTH-SFHVURJKSA-N 1 1 341.842 4.283 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)n1 ZINC000766137342 1044314736 /nfs/dbraw/zinc/31/47/36/1044314736.db2.gz SUGSPUZMQOYFTH-SFHVURJKSA-N 1 1 341.842 4.283 20 30 EIEDMO Cc1cc(Br)c(C[NH2+]Cc2csc(C#N)c2)s1 ZINC000922251886 1044324758 /nfs/dbraw/zinc/32/47/58/1044324758.db2.gz XQPPXGBQRXLZER-UHFFFAOYSA-N 1 1 327.272 4.042 20 30 EIEDMO C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000466386166 1044349142 /nfs/dbraw/zinc/34/91/42/1044349142.db2.gz NUCXWWTWGPKFED-IHPCNDPISA-N 1 1 343.515 4.208 20 30 EIEDMO C=CCCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474080462 1044368764 /nfs/dbraw/zinc/36/87/64/1044368764.db2.gz NFUYYTSTQJYRRU-ICSRJNTNSA-N 1 1 343.515 4.037 20 30 EIEDMO Oc1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096244 1044473196 /nfs/dbraw/zinc/47/31/96/1044473196.db2.gz LJSKRPSMWQMAFC-UZQMFHLOSA-N 1 1 328.843 4.129 20 30 EIEDMO CCCC[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000550524869 1044506034 /nfs/dbraw/zinc/50/60/34/1044506034.db2.gz NRUVCNAHIHEABY-UHFFFAOYSA-N 1 1 333.501 4.383 20 30 EIEDMO CC[N@H+](Cc1cn(-c2ccncc2)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543397590 1044513179 /nfs/dbraw/zinc/51/31/79/1044513179.db2.gz WBIBCKCJDCZYOU-QGZVFWFLSA-N 1 1 345.450 4.031 20 30 EIEDMO CC[N@@H+](Cc1cn(-c2ccncc2)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543397590 1044513191 /nfs/dbraw/zinc/51/31/91/1044513191.db2.gz WBIBCKCJDCZYOU-QGZVFWFLSA-N 1 1 345.450 4.031 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474103422 1044517501 /nfs/dbraw/zinc/51/75/01/1044517501.db2.gz CUAPULNRBBBHKR-UHFFFAOYSA-N 1 1 344.871 4.170 20 30 EIEDMO CC[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(C)noc1C ZINC000329471649 1044519857 /nfs/dbraw/zinc/51/98/57/1044519857.db2.gz ZEUHIRJSRUXGJT-VQBCORBOSA-N 1 1 345.487 4.257 20 30 EIEDMO C=C(C)CN(CC)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000105005122 1044522735 /nfs/dbraw/zinc/52/27/35/1044522735.db2.gz YZPYEQFMBQIIGD-UHFFFAOYSA-N 1 1 340.471 4.485 20 30 EIEDMO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533421127 1044550332 /nfs/dbraw/zinc/55/03/32/1044550332.db2.gz GVQLOAHYTHAIIZ-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533421127 1044550350 /nfs/dbraw/zinc/55/03/50/1044550350.db2.gz GVQLOAHYTHAIIZ-OAHLLOKOSA-N 1 1 341.405 4.110 20 30 EIEDMO C=CCC1(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCC1 ZINC001129161128 1044611466 /nfs/dbraw/zinc/61/14/66/1044611466.db2.gz FQZHKHJIGPNBNC-UHFFFAOYSA-N 1 1 347.462 4.329 20 30 EIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ccccc2F)c1C ZINC000914695383 1044669809 /nfs/dbraw/zinc/66/98/09/1044669809.db2.gz SCUBTPFMKWSVJU-GOSISDBHSA-N 1 1 342.462 4.174 20 30 EIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC000091866511 1044712437 /nfs/dbraw/zinc/71/24/37/1044712437.db2.gz PRYQLXAEKGYGKI-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCO[C@H](C)C1 ZINC000420906169 1044773955 /nfs/dbraw/zinc/77/39/55/1044773955.db2.gz RRZCKDKWMZZELW-IUODEOHRSA-N 1 1 342.252 4.144 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308057 1044782814 /nfs/dbraw/zinc/78/28/14/1044782814.db2.gz BSCILBCDTKNJOA-UHFFFAOYSA-N 1 1 326.827 4.431 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308057 1044782838 /nfs/dbraw/zinc/78/28/38/1044782838.db2.gz BSCILBCDTKNJOA-UHFFFAOYSA-N 1 1 326.827 4.431 20 30 EIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308309 1044784476 /nfs/dbraw/zinc/78/44/76/1044784476.db2.gz GPALEROUOYLARF-UHFFFAOYSA-N 1 1 332.806 4.056 20 30 EIEDMO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(F)(F)F ZINC000676557407 1044790471 /nfs/dbraw/zinc/79/04/71/1044790471.db2.gz FDXFNVIAPYLYSV-UHFFFAOYSA-N 1 1 339.279 4.211 20 30 EIEDMO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(F)(F)F ZINC000676557407 1044790485 /nfs/dbraw/zinc/79/04/85/1044790485.db2.gz FDXFNVIAPYLYSV-UHFFFAOYSA-N 1 1 339.279 4.211 20 30 EIEDMO N#Cc1ccc(OCCC[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000735494965 1044832669 /nfs/dbraw/zinc/83/26/69/1044832669.db2.gz LYACLRWWEZGFEZ-FQEVSTJZSA-N 1 1 338.476 4.117 20 30 EIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)o1 ZINC000093772282 1044853109 /nfs/dbraw/zinc/85/31/09/1044853109.db2.gz YJWJHXULKHEUHE-SNVBAGLBSA-N 1 1 341.358 4.006 20 30 EIEDMO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429264152 1044864117 /nfs/dbraw/zinc/86/41/17/1044864117.db2.gz LTMROXQHSKCXDL-UHFFFAOYSA-N 1 1 328.799 4.125 20 30 EIEDMO C=CCOCCC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927272 1044866029 /nfs/dbraw/zinc/86/60/29/1044866029.db2.gz IOYMUUHRHDJSHQ-WMLDXEAASA-N 1 1 343.389 4.060 20 30 EIEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931595 1044875767 /nfs/dbraw/zinc/87/57/67/1044875767.db2.gz QDOKENSTPAZJGU-CJNGLKHVSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428931595 1044875768 /nfs/dbraw/zinc/87/57/68/1044875768.db2.gz QDOKENSTPAZJGU-CJNGLKHVSA-N 1 1 340.389 4.407 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)cc1F ZINC000543599507 1044889581 /nfs/dbraw/zinc/88/95/81/1044889581.db2.gz XSPJBBLEKBLNAP-NSHDSACASA-N 1 1 330.790 4.136 20 30 EIEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000915051461 1045010886 /nfs/dbraw/zinc/01/08/86/1045010886.db2.gz VJVZDFAFAXUBJA-UHFFFAOYSA-N 1 1 326.831 4.444 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC000738055568 1045035212 /nfs/dbraw/zinc/03/52/12/1045035212.db2.gz NFBMTAQDKXOFKC-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC000738055568 1045035228 /nfs/dbraw/zinc/03/52/28/1045035228.db2.gz NFBMTAQDKXOFKC-HOCLYGCPSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC000738055561 1045036226 /nfs/dbraw/zinc/03/62/26/1045036226.db2.gz NFBMTAQDKXOFKC-GDBMZVCRSA-N 1 1 334.533 4.336 20 30 EIEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC000738055561 1045036240 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C[C@@H]([NH2+][C@H](CN1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438274 1045307645 /nfs/dbraw/zinc/30/76/45/1045307645.db2.gz AUOFNUMVINUFSI-XMSQKQJNSA-N 1 1 333.479 4.436 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000611488224 1045317162 /nfs/dbraw/zinc/31/71/62/1045317162.db2.gz GMOXFHGGPFRQOD-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000611488224 1045317164 /nfs/dbraw/zinc/31/71/64/1045317164.db2.gz GMOXFHGGPFRQOD-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000611488224 1045317171 /nfs/dbraw/zinc/31/71/71/1045317171.db2.gz GMOXFHGGPFRQOD-LJQANCHMSA-N 1 1 349.482 4.104 20 30 EIEDMO C[C@@H]([NH2+][C@H](C)c1cc(Br)ncc1F)c1cccc(C#N)c1 ZINC000762758584 1045348766 /nfs/dbraw/zinc/34/87/66/1045348766.db2.gz QHSXHPKJLIVMCF-GHMZBOCLSA-N 1 1 348.219 4.267 20 30 EIEDMO N#CCCCOc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000237827512 1045396413 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/nfs/dbraw/zinc/91/52/11/1046915211.db2.gz DBTVGMCMQRZJGP-AWEZNQCLSA-N 1 1 342.414 4.344 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537185799 1047026469 /nfs/dbraw/zinc/02/64/69/1047026469.db2.gz VBQPDCFNIQXVRC-OALUTQOASA-N 1 1 343.515 4.037 20 30 EIEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520421 1047214150 /nfs/dbraw/zinc/21/41/50/1047214150.db2.gz QWEDNFBJLNQPBC-IAGOWNOFSA-N 1 1 333.907 4.011 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(Br)ccc1F ZINC000788608262 1047246416 /nfs/dbraw/zinc/24/64/16/1047246416.db2.gz DGFLSWUWXBSCKB-WDEREUQCSA-N 1 1 348.219 4.267 20 30 EIEDMO CCOc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cc(Cl)c1O ZINC000897624196 1047394896 /nfs/dbraw/zinc/39/48/96/1047394896.db2.gz BIHCIKUVTSCQJX-UHFFFAOYSA-N 1 1 336.844 4.009 20 30 EIEDMO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc(Cl)c1O ZINC000897624196 1047394903 /nfs/dbraw/zinc/39/49/03/1047394903.db2.gz BIHCIKUVTSCQJX-UHFFFAOYSA-N 1 1 336.844 4.009 20 30 EIEDMO COCC[N@H+](Cc1ccco1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026449632 1047395567 /nfs/dbraw/zinc/39/55/67/1047395567.db2.gz FSFQESCPXZPBLP-UHFFFAOYSA-N 1 1 346.430 4.467 20 30 EIEDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026449632 1047395577 /nfs/dbraw/zinc/39/55/77/1047395577.db2.gz FSFQESCPXZPBLP-UHFFFAOYSA-N 1 1 346.430 4.467 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000154750261 1047501847 /nfs/dbraw/zinc/50/18/47/1047501847.db2.gz GGDLLKGBESJIPO-OAQYLSRUSA-N 1 1 348.471 4.356 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000154774605 1047555923 /nfs/dbraw/zinc/55/59/23/1047555923.db2.gz QBHMPWIMIFROLO-INIZCTEOSA-N 1 1 332.403 4.204 20 30 EIEDMO Cc1ccc(Nc2nc(Cl)c(C=[NH+][N-]c3[nH+]ccn3C)s2)cc1 ZINC000790300537 1047561743 /nfs/dbraw/zinc/56/17/43/1047561743.db2.gz ZZVFTOXTDCLNDB-UHFFFAOYSA-N 1 1 346.847 4.028 20 30 EIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001168285546 1047606422 /nfs/dbraw/zinc/60/64/22/1047606422.db2.gz UZQHWNYZFKQALX-REWPJTCUSA-N 1 1 348.490 4.327 20 30 EIEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919627 1047694106 /nfs/dbraw/zinc/69/41/06/1047694106.db2.gz SGWCZGGVRZPUKD-NNMXDRDESA-N 1 1 348.490 4.298 20 30 EIEDMO COc1cc2c(c(C[NH2+][C@H](CCC#N)c3ccccc3)c1)O[C@@H](C)C2 ZINC000130385286 1047704626 /nfs/dbraw/zinc/70/46/26/1047704626.db2.gz JHLYXPVQZOGFSK-MGPUTAFESA-N 1 1 336.435 4.153 20 30 EIEDMO COc1cc(C#N)ccc1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC001168301606 1047726584 /nfs/dbraw/zinc/72/65/84/1047726584.db2.gz AFZHKMZAAGTBMB-UHFFFAOYSA-N 1 1 336.410 4.385 20 30 EIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000825104518 1048026841 /nfs/dbraw/zinc/02/68/41/1048026841.db2.gz YUXRNRIOLRSJNO-HXUWFJFHSA-N 1 1 335.451 4.357 20 30 EIEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072776115 1048077907 /nfs/dbraw/zinc/07/79/07/1048077907.db2.gz SWCURZGYYAPJGH-DOTOQJQBSA-N 1 1 345.512 4.141 20 30 EIEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001143722892 1048174738 /nfs/dbraw/zinc/17/47/38/1048174738.db2.gz KQFDZSQNHYAFGJ-IMFGXOCKSA-N 1 1 344.886 4.239 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001143731069 1048176825 /nfs/dbraw/zinc/17/68/25/1048176825.db2.gz KXTPEBIENNNYRK-UHFFFAOYSA-N 1 1 325.843 4.061 20 30 EIEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001143731610 1048177457 /nfs/dbraw/zinc/17/74/57/1048177457.db2.gz YTMYZXXXDDBGJH-UHFFFAOYSA-N 1 1 326.827 4.297 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001143790370 1048202459 /nfs/dbraw/zinc/20/24/59/1048202459.db2.gz COKHHOHPXHBYSN-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001143790370 1048202463 /nfs/dbraw/zinc/20/24/63/1048202463.db2.gz COKHHOHPXHBYSN-SNVBAGLBSA-N 1 1 345.258 4.499 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000556960565 1048322363 /nfs/dbraw/zinc/32/23/63/1048322363.db2.gz VPQMPDXSRYZNNF-VQTJNVASSA-N 1 1 348.494 4.474 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1Br ZINC000809578315 1048406139 /nfs/dbraw/zinc/40/61/39/1048406139.db2.gz LCHWVAJPRIYMNN-GFCCVEGCSA-N 1 1 337.261 4.192 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1F ZINC000809700025 1048466551 /nfs/dbraw/zinc/46/65/51/1048466551.db2.gz VZRFEMXEZXVKAJ-QGZVFWFLSA-N 1 1 345.830 4.190 20 30 EIEDMO CC(C)[N@H+](Cc1ccc(C#N)cn1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144166802 1048479612 /nfs/dbraw/zinc/47/96/12/1048479612.db2.gz WSWSNRKQHGIAJZ-QFIPXVFZSA-N 1 1 345.446 4.050 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809729217 1048480018 /nfs/dbraw/zinc/48/00/18/1048480018.db2.gz REZTUBCCYJBYHG-SFHVURJKSA-N 1 1 326.827 4.084 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729217 1048480026 /nfs/dbraw/zinc/48/00/26/1048480026.db2.gz REZTUBCCYJBYHG-SFHVURJKSA-N 1 1 326.827 4.084 20 30 EIEDMO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000499252035 1048513601 /nfs/dbraw/zinc/51/36/01/1048513601.db2.gz QFOYTFXDNYNFQM-UHFFFAOYSA-N 1 1 330.472 4.040 20 30 EIEDMO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000499252035 1048513617 /nfs/dbraw/zinc/51/36/17/1048513617.db2.gz QFOYTFXDNYNFQM-UHFFFAOYSA-N 1 1 330.472 4.040 20 30 EIEDMO C[NH+](C)[C@@H](CNc1cncc(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170589994 1048567010 /nfs/dbraw/zinc/56/70/10/1048567010.db2.gz RQASGMZLWNSLFO-KRWDZBQOSA-N 1 1 349.265 4.169 20 30 EIEDMO Cc1ccnc(C#N)c1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170595556 1048614544 /nfs/dbraw/zinc/61/45/44/1048614544.db2.gz QVGNEVNKOKSVMQ-INIZCTEOSA-N 1 1 349.265 4.283 20 30 EIEDMO CC[N@@H+](CCCSCC#N)Cc1cc(Br)ccc1F ZINC000074989462 1048638425 /nfs/dbraw/zinc/63/84/25/1048638425.db2.gz GBOMXFJDXNNKDL-UHFFFAOYSA-N 1 1 345.281 4.057 20 30 EIEDMO C=C(C)CC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000845865156 1048749044 /nfs/dbraw/zinc/74/90/44/1048749044.db2.gz IGIXKLSRGKNROK-GFCCVEGCSA-N 1 1 335.354 4.107 20 30 EIEDMO C[N@H+](Cc1ccc(C(C)(C)C)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007082 1048786391 /nfs/dbraw/zinc/78/63/91/1048786391.db2.gz MXMVPZLAUSHLLE-KRWDZBQOSA-N 1 1 328.481 4.083 20 30 EIEDMO C#CCCCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456290 1048805469 /nfs/dbraw/zinc/80/54/69/1048805469.db2.gz FGHIMHLKYKDOPX-ICSRJNTNSA-N 1 1 327.468 4.024 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1O ZINC000816496377 1048815935 /nfs/dbraw/zinc/81/59/35/1048815935.db2.gz HQHAMPKACMICKR-UHFFFAOYSA-N 1 1 330.790 4.245 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1O ZINC000816496377 1048815940 /nfs/dbraw/zinc/81/59/40/1048815940.db2.gz HQHAMPKACMICKR-UHFFFAOYSA-N 1 1 330.790 4.245 20 30 EIEDMO C#CCn1ccc(C[N@@H+](CC)CC(c2ccccc2)c2ccccc2)n1 ZINC000816593899 1048832024 /nfs/dbraw/zinc/83/20/24/1048832024.db2.gz IJWUQKRCLVFKBM-UHFFFAOYSA-N 1 1 343.474 4.170 20 30 EIEDMO C=C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619145 1048952926 /nfs/dbraw/zinc/95/29/26/1048952926.db2.gz NCXYOIDHNPNDLZ-WIYYLYMNSA-N 1 1 340.511 4.260 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)cc1Cl ZINC000076895234 1048953583 /nfs/dbraw/zinc/95/35/83/1048953583.db2.gz QZIIMLIIPQNDGK-UHFFFAOYSA-N 1 1 341.842 4.151 20 30 EIEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001171276256 1049016675 /nfs/dbraw/zinc/01/66/75/1049016675.db2.gz JOGKVLZIAAMOGL-GOSISDBHSA-N 1 1 335.407 4.235 20 30 EIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135251232 1049094325 /nfs/dbraw/zinc/09/43/25/1049094325.db2.gz DJNCKIJJILDONK-OAQYLSRUSA-N 1 1 334.463 4.370 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(Cl)cc1 ZINC000811517582 1049100579 /nfs/dbraw/zinc/10/05/79/1049100579.db2.gz WSSLBDLLYVNCCS-KRWDZBQOSA-N 1 1 329.827 4.211 20 30 EIEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345689 1049124898 /nfs/dbraw/zinc/12/48/98/1049124898.db2.gz WRAYENQMRQUXJY-NVXWUHKLSA-N 1 1 345.512 4.141 20 30 EIEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCCC1 ZINC000609564485 1049152379 /nfs/dbraw/zinc/15/23/79/1049152379.db2.gz ZDQQFTXIDVGMMC-UHFFFAOYSA-N 1 1 346.427 4.030 20 30 EIEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001171309501 1049165495 /nfs/dbraw/zinc/16/54/95/1049165495.db2.gz YLWPPPPCVMCAQJ-OAQYLSRUSA-N 1 1 338.426 4.173 20 30 EIEDMO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222900 1049313526 /nfs/dbraw/zinc/31/35/26/1049313526.db2.gz ZOAFXBSTKODUKW-UTKZUKDTSA-N 1 1 328.500 4.137 20 30 EIEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000773004982 1049518854 /nfs/dbraw/zinc/51/88/54/1049518854.db2.gz NAJKHASLCNVCIH-MRVPVSSYSA-N 1 1 327.705 4.293 20 30 EIEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000773005125 1049519483 /nfs/dbraw/zinc/51/94/83/1049519483.db2.gz OMOCJNPNWRTPQA-UKRRQHHQSA-N 1 1 327.827 4.177 20 30 EIEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000773005126 1049519829 /nfs/dbraw/zinc/51/98/29/1049519829.db2.gz OMOCJNPNWRTPQA-ZFWWWQNUSA-N 1 1 327.827 4.177 20 30 EIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)cc1 ZINC000773044436 1049551403 /nfs/dbraw/zinc/55/14/03/1049551403.db2.gz PFIXNLYHUUXNFH-ZDUSSCGKSA-N 1 1 349.352 4.290 20 30 EIEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1Cl ZINC000080238853 1049569583 /nfs/dbraw/zinc/56/95/83/1049569583.db2.gz GPELVARUXSKDTE-MRXNPFEDSA-N 1 1 335.831 4.284 20 30 EIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCCC)c(OCC)c1)c1ccc(F)cc1 ZINC000812792445 1049571303 /nfs/dbraw/zinc/57/13/03/1049571303.db2.gz ADFCSBHZJVSPID-LJQANCHMSA-N 1 1 341.426 4.477 20 30 EIEDMO C#CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000773113246 1049590589 /nfs/dbraw/zinc/59/05/89/1049590589.db2.gz CRBXOBGNABDUIU-UWJYYQICSA-N 1 1 344.462 4.299 20 30 EIEDMO C#C[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793272 1049591079 /nfs/dbraw/zinc/59/10/79/1049591079.db2.gz RJMUFUKHLZRMLV-ZNLUXHQJSA-N 1 1 336.454 4.000 20 30 EIEDMO C#C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000812794348 1049592131 /nfs/dbraw/zinc/59/21/31/1049592131.db2.gz ZFONSKWMXAWOJP-INIZCTEOSA-N 1 1 336.179 4.191 20 30 EIEDMO Cc1ccc(F)cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001171400275 1049621656 /nfs/dbraw/zinc/62/16/56/1049621656.db2.gz VRIVPKXRPXZKAV-HNNXBMFYSA-N 1 1 339.414 4.027 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615438868 1049681350 /nfs/dbraw/zinc/68/13/50/1049681350.db2.gz FVMBGPNTRQEOHJ-WQAKAFBOSA-N 1 1 336.279 4.292 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615438868 1049681355 /nfs/dbraw/zinc/68/13/55/1049681355.db2.gz FVMBGPNTRQEOHJ-WQAKAFBOSA-N 1 1 336.279 4.292 20 30 EIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245436174 1049721628 /nfs/dbraw/zinc/72/16/28/1049721628.db2.gz QUNHMBHCVDKEHB-OPYAIIAOSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245436174 1049721640 /nfs/dbraw/zinc/72/16/40/1049721640.db2.gz QUNHMBHCVDKEHB-OPYAIIAOSA-N 1 1 347.462 4.015 20 30 EIEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C(=O)OC(C)(C)C ZINC001171525121 1049749253 /nfs/dbraw/zinc/74/92/53/1049749253.db2.gz WVNWZSZEASJUEM-BBRMVZONSA-N 1 1 348.874 4.011 20 30 EIEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C(=O)OC(C)(C)C ZINC001171525121 1049749262 /nfs/dbraw/zinc/74/92/62/1049749262.db2.gz WVNWZSZEASJUEM-BBRMVZONSA-N 1 1 348.874 4.011 20 30 EIEDMO N#Cc1cccc2c1C[N@H+](CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001171671162 1049774351 /nfs/dbraw/zinc/77/43/51/1049774351.db2.gz PWCKKQTXLADVLK-UHFFFAOYSA-N 1 1 332.325 4.015 20 30 EIEDMO N#Cc1cccc2c1C[N@@H+](CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001171671162 1049774360 /nfs/dbraw/zinc/77/43/60/1049774360.db2.gz PWCKKQTXLADVLK-UHFFFAOYSA-N 1 1 332.325 4.015 20 30 EIEDMO COc1ccc(-c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2)cc1 ZINC000822976832 1049812676 /nfs/dbraw/zinc/81/26/76/1049812676.db2.gz KEHVUZGSIWJILZ-GOSISDBHSA-N 1 1 348.406 4.106 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846759 1049812646 /nfs/dbraw/zinc/81/26/46/1049812646.db2.gz DOSAOQCLZPPOPA-LBPRGKRZSA-N 1 1 335.245 4.378 20 30 EIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001171848040 1049813526 /nfs/dbraw/zinc/81/35/26/1049813526.db2.gz WHVAJNNUYIUEKF-LBPRGKRZSA-N 1 1 328.334 4.402 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+]2CCC(C)(C)CC(C)(C)C2)c(C#N)c1C ZINC001171882219 1049815330 /nfs/dbraw/zinc/81/53/30/1049815330.db2.gz LFLWXUQPMJTUJF-UHFFFAOYSA-N 1 1 347.528 4.323 20 30 EIEDMO C=CCCCCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001171920219 1049820262 /nfs/dbraw/zinc/82/02/62/1049820262.db2.gz CAPLSFSRXQMACC-UHFFFAOYSA-N 1 1 326.362 4.249 20 30 EIEDMO CC1(C)C[C@@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171963742 1049825709 /nfs/dbraw/zinc/82/57/09/1049825709.db2.gz JAEFDVGVWOAXBV-NRFANRHFSA-N 1 1 333.479 4.091 20 30 EIEDMO CC1(C)C[C@@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171963742 1049825711 /nfs/dbraw/zinc/82/57/11/1049825711.db2.gz JAEFDVGVWOAXBV-NRFANRHFSA-N 1 1 333.479 4.091 20 30 EIEDMO N#CCC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172079520 1049846032 /nfs/dbraw/zinc/84/60/32/1049846032.db2.gz OSBMESPDORKSFL-MZADTFQBSA-N 1 1 337.511 4.388 20 30 EIEDMO N#CCC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172079521 1049846573 /nfs/dbraw/zinc/84/65/73/1049846573.db2.gz OSBMESPDORKSFL-WKCHPHFGSA-N 1 1 337.511 4.388 20 30 EIEDMO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172065771 1049851537 /nfs/dbraw/zinc/85/15/37/1049851537.db2.gz QMSNOHOZIBLCJL-WSJSTIOHSA-N 1 1 337.511 4.244 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000823617261 1049862933 /nfs/dbraw/zinc/86/29/33/1049862933.db2.gz HXBXGPFPPSKUBV-XIKOKIGWSA-N 1 1 332.806 4.077 20 30 EIEDMO COc1cccc([C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 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C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC001180505208 1051022065 /nfs/dbraw/zinc/02/20/65/1051022065.db2.gz KDIVNFOGJAGDQK-UHFFFAOYSA-N 1 1 341.455 4.476 20 30 EIEDMO CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001174572954 1051060561 /nfs/dbraw/zinc/06/05/61/1051060561.db2.gz CABOPWGWDZDQBY-AUSIDOKSSA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572954 1051060576 /nfs/dbraw/zinc/06/05/76/1051060576.db2.gz CABOPWGWDZDQBY-AUSIDOKSSA-N 1 1 347.506 4.462 20 30 EIEDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001174572954 1051060589 /nfs/dbraw/zinc/06/05/89/1051060589.db2.gz CABOPWGWDZDQBY-AUSIDOKSSA-N 1 1 347.506 4.462 20 30 EIEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccccc2C)c1 ZINC001190304554 1051145115 /nfs/dbraw/zinc/14/51/15/1051145115.db2.gz UIJLPYWINHKKAI-FQEVSTJZSA-N 1 1 334.463 4.042 20 30 EIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001174742677 1051159566 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CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001190713222 1051251824 /nfs/dbraw/zinc/25/18/24/1051251824.db2.gz IJNTYPOZLMKRGN-KRWDZBQOSA-N 1 1 349.519 4.182 20 30 EIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc(OC)c1 ZINC001181706687 1051281438 /nfs/dbraw/zinc/28/14/38/1051281438.db2.gz CCMFNLVADWXGPQ-UHFFFAOYSA-N 1 1 331.435 4.190 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc(OC)c1 ZINC001181706687 1051281451 /nfs/dbraw/zinc/28/14/51/1051281451.db2.gz CCMFNLVADWXGPQ-UHFFFAOYSA-N 1 1 331.435 4.190 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699147 1051293644 /nfs/dbraw/zinc/29/36/44/1051293644.db2.gz ZQPWLIXAQWNEHK-OAHLLOKOSA-N 1 1 345.368 4.352 20 30 EIEDMO C[N@@H+](Cc1ccncc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000183742771 1051322970 /nfs/dbraw/zinc/32/29/70/1051322970.db2.gz WZDUTONXEGTIPH-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO C=C(Br)C[N@H+](CCc1ccc(OC)cc1)CC(C)(C)C ZINC001191013873 1051326618 /nfs/dbraw/zinc/32/66/18/1051326618.db2.gz QPXZSHHFWKBFAN-UHFFFAOYSA-N 1 1 340.305 4.494 20 30 EIEDMO CCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001191174618 1051374743 /nfs/dbraw/zinc/37/47/43/1051374743.db2.gz PNPCBGPHYBBVGW-QRVBRYPASA-N 1 1 331.887 4.217 20 30 EIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001191214562 1051389794 /nfs/dbraw/zinc/38/97/94/1051389794.db2.gz PVPQSTSYDXOYHU-FCHUYYIVSA-N 1 1 334.463 4.436 20 30 EIEDMO CC(C)c1[nH+]c(/C=C2/CC(=O)Nc3ccccc3C2=O)c2ccccn21 ZINC000774143907 1051493170 /nfs/dbraw/zinc/49/31/70/1051493170.db2.gz YOBSNYSSTVAWRT-KAMYIIQDSA-N 1 1 345.402 4.066 20 30 EIEDMO C=CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194345 1051495898 /nfs/dbraw/zinc/49/58/98/1051495898.db2.gz XJQZDDHYOHQRBV-GPJHCHHRSA-N 1 1 347.506 4.484 20 30 EIEDMO C=CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194345 1051495904 /nfs/dbraw/zinc/49/59/04/1051495904.db2.gz XJQZDDHYOHQRBV-GPJHCHHRSA-N 1 1 347.506 4.484 20 30 EIEDMO C=CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000774194345 1051495909 /nfs/dbraw/zinc/49/59/09/1051495909.db2.gz XJQZDDHYOHQRBV-GPJHCHHRSA-N 1 1 347.506 4.484 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001191664373 1051512912 /nfs/dbraw/zinc/51/29/12/1051512912.db2.gz SLCMCIMBOSQJTO-KRWDZBQOSA-N 1 1 349.865 4.447 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001191664373 1051512923 /nfs/dbraw/zinc/51/29/23/1051512923.db2.gz SLCMCIMBOSQJTO-KRWDZBQOSA-N 1 1 349.865 4.447 20 30 EIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC001192108121 1051632533 /nfs/dbraw/zinc/63/25/33/1051632533.db2.gz QYGNWEJQPRWZGM-NRFANRHFSA-N 1 1 349.478 4.230 20 30 EIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001182532565 1051634452 /nfs/dbraw/zinc/63/44/52/1051634452.db2.gz FWAYMGUPNWTFCQ-IEBWSBKVSA-N 1 1 325.500 4.272 20 30 EIEDMO N#Cc1cc(F)c(F)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175507501 1051638656 /nfs/dbraw/zinc/63/86/56/1051638656.db2.gz XULYRSYZNWBCKO-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001175530362 1051652839 /nfs/dbraw/zinc/65/28/39/1051652839.db2.gz CQIQHEUAGFLZAB-HXUWFJFHSA-N 1 1 326.484 4.305 20 30 EIEDMO Cc1sc(NC(=O)C[N@H+](CC(C)C)CC(C)(C)C)c(C#N)c1C ZINC001192225033 1051671842 /nfs/dbraw/zinc/67/18/42/1051671842.db2.gz WZOTVKJKUZIDCV-UHFFFAOYSA-N 1 1 335.517 4.179 20 30 EIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccccc1Cl ZINC001192271068 1051678602 /nfs/dbraw/zinc/67/86/02/1051678602.db2.gz CGSWUGRCSRAIGL-UHFFFAOYSA-N 1 1 340.898 4.192 20 30 EIEDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC#Cc1ccccc1Cl ZINC001192271068 1051678610 /nfs/dbraw/zinc/67/86/10/1051678610.db2.gz CGSWUGRCSRAIGL-UHFFFAOYSA-N 1 1 340.898 4.192 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)cc1 ZINC001192435222 1051713602 /nfs/dbraw/zinc/71/36/02/1051713602.db2.gz OXODMSKGNZFMQO-PKTZIBPZSA-N 1 1 348.490 4.469 20 30 EIEDMO Cc1cc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(O)cc1Cl ZINC001183023627 1051772417 /nfs/dbraw/zinc/77/24/17/1051772417.db2.gz IMVUZEVANOLISN-KRWDZBQOSA-N 1 1 325.839 4.195 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1OCC(F)(F)F ZINC001192652065 1051780705 /nfs/dbraw/zinc/78/07/05/1051780705.db2.gz AQPFHEGTZNDBKO-UHFFFAOYSA-N 1 1 339.357 4.451 20 30 EIEDMO CCCCCCCOc1ccc(C[N@H+](C)Cc2cnccn2)cc1 ZINC001204366287 1051784284 /nfs/dbraw/zinc/78/42/84/1051784284.db2.gz CHNGABCXYYZLCH-UHFFFAOYSA-N 1 1 327.472 4.458 20 30 EIEDMO CCCCCCCOc1ccc(C[N@@H+](C)Cc2cnccn2)cc1 ZINC001204366287 1051784300 /nfs/dbraw/zinc/78/43/00/1051784300.db2.gz CHNGABCXYYZLCH-UHFFFAOYSA-N 1 1 327.472 4.458 20 30 EIEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(CC(F)(F)F)cc1)C2 ZINC001183181873 1051802338 /nfs/dbraw/zinc/80/23/38/1051802338.db2.gz ZDFMRZJGWQXRSB-UHFFFAOYSA-N 1 1 344.380 4.416 20 30 EIEDMO N#Cc1cccc(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001203764331 1051808318 /nfs/dbraw/zinc/80/83/18/1051808318.db2.gz MNOYKZUPLORVCO-UHFFFAOYSA-N 1 1 346.261 4.187 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000775552349 1051823048 /nfs/dbraw/zinc/82/30/48/1051823048.db2.gz HKGPAGJFRAXAAR-INIZCTEOSA-N 1 1 347.245 4.177 20 30 EIEDMO CC(C)(C#N)c1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001175860375 1051824014 /nfs/dbraw/zinc/82/40/14/1051824014.db2.gz RZRTYZPRFFYESG-UHFFFAOYSA-N 1 1 335.451 4.064 20 30 EIEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(F)c1F ZINC000775553446 1051825357 /nfs/dbraw/zinc/82/53/57/1051825357.db2.gz OGKYXSWTISGJDX-LLVKDONJSA-N 1 1 336.769 4.371 20 30 EIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC001193083550 1051864779 /nfs/dbraw/zinc/86/47/79/1051864779.db2.gz WIOOSJXXJFPSNC-ZDUSSCGKSA-N 1 1 334.448 4.236 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1F ZINC000774660272 1051879855 /nfs/dbraw/zinc/87/98/55/1051879855.db2.gz RBKASYCLYHISDJ-ZWKOTPCHSA-N 1 1 342.414 4.159 20 30 EIEDMO N#CC(CC[N@H+]1C[C@@H]2CSC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC001176086261 1051890013 /nfs/dbraw/zinc/89/00/13/1051890013.db2.gz GJEBMAOFOBDDHH-KDURUIRLSA-N 1 1 348.515 4.181 20 30 EIEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2CC2(O)CCCCC2)cc1 ZINC001176061956 1051900860 /nfs/dbraw/zinc/90/08/60/1051900860.db2.gz LPTFMROOIFKFIF-FQEVSTJZSA-N 1 1 326.484 4.192 20 30 EIEDMO C=CCC[C@H](O)C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385354 1051915225 /nfs/dbraw/zinc/91/52/25/1051915225.db2.gz UMJAHUONTDPVOH-OLZOCXBDSA-N 1 1 332.271 4.020 20 30 EIEDMO CCC1(CC)CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC001193429928 1051923425 /nfs/dbraw/zinc/92/34/25/1051923425.db2.gz AVSLQLRBSNNJKK-UHFFFAOYSA-N 1 1 328.456 4.137 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC[C@@H](C)C2)c1 ZINC001193516535 1051942335 /nfs/dbraw/zinc/94/23/35/1051942335.db2.gz CYDUJDALETUSQH-APWZRJJASA-N 1 1 341.499 4.061 20 30 EIEDMO C=CCCC[N@H+](CC)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001184187537 1051958495 /nfs/dbraw/zinc/95/84/95/1051958495.db2.gz FBDHUOAUEPNSJX-AYHJJNSGSA-N 1 1 336.520 4.453 20 30 EIEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c1C#N ZINC001193637488 1051962409 /nfs/dbraw/zinc/96/24/09/1051962409.db2.gz XXJYACAZYXVEOG-INIZCTEOSA-N 1 1 340.467 4.137 20 30 EIEDMO CCCC#CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001184273047 1051976605 /nfs/dbraw/zinc/97/66/05/1051976605.db2.gz JZIGFODLJRGVJS-IBGZPJMESA-N 1 1 332.447 4.006 20 30 EIEDMO C=CC[N@H+](CCOC)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001193991583 1052055011 /nfs/dbraw/zinc/05/50/11/1052055011.db2.gz YEZZJMXGBDZVCK-UHFFFAOYSA-N 1 1 347.405 4.178 20 30 EIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001194270590 1052123950 /nfs/dbraw/zinc/12/39/50/1052123950.db2.gz ZQCPUOMMQRLGIW-SFHVURJKSA-N 1 1 333.520 4.436 20 30 EIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771613 1052193940 /nfs/dbraw/zinc/19/39/40/1052193940.db2.gz NZPVXDPFKGSLIR-QGZVFWFLSA-N 1 1 339.458 4.431 20 30 EIEDMO CCCCCC[N@H+](Cc1ccco1)C[C@H](O)c1cccc(C#N)c1 ZINC001176828297 1052196082 /nfs/dbraw/zinc/19/60/82/1052196082.db2.gz QVDTXFQMXVHVRM-FQEVSTJZSA-N 1 1 326.440 4.267 20 30 EIEDMO COc1cc(C[N@H+]2CCC23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000081545370 1052196877 /nfs/dbraw/zinc/19/68/77/1052196877.db2.gz LXIGAPRTFHJHCK-UHFFFAOYSA-N 1 1 348.446 4.274 20 30 EIEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255466 1052532815 /nfs/dbraw/zinc/53/28/15/1052532815.db2.gz PCNHYPPNGGCILO-CYBMUJFWSA-N 1 1 341.295 4.093 20 30 EIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131155436 1052535074 /nfs/dbraw/zinc/53/50/74/1052535074.db2.gz MEVHZHHYWFCYEJ-UHFFFAOYSA-N 1 1 344.462 4.052 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072869227 1052615805 /nfs/dbraw/zinc/61/58/05/1052615805.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072869227 1052615808 /nfs/dbraw/zinc/61/58/08/1052615808.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869227 1052615812 /nfs/dbraw/zinc/61/58/12/1052615812.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869227 1052615813 /nfs/dbraw/zinc/61/58/13/1052615813.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 1 1 333.479 4.073 20 30 EIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3n2CC)c1 ZINC000073012175 1052671378 /nfs/dbraw/zinc/67/13/78/1052671378.db2.gz CGQNWRRQGWBPEI-QGZVFWFLSA-N 1 1 348.450 4.027 20 30 EIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961152 1052683701 /nfs/dbraw/zinc/68/37/01/1052683701.db2.gz CGZMKHVAPQAYNJ-OFNKIYASSA-N 1 1 348.490 4.280 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1cccs1 ZINC000179603266 1052743339 /nfs/dbraw/zinc/74/33/39/1052743339.db2.gz MCVHNACHYXVOPV-UHFFFAOYSA-N 1 1 329.494 4.398 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1F ZINC000794691528 1053315181 /nfs/dbraw/zinc/31/51/81/1053315181.db2.gz WAAQOTKEIFIYLW-YADHBBJMSA-N 1 1 346.405 4.262 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001195233986 1053320513 /nfs/dbraw/zinc/32/05/13/1053320513.db2.gz MFIZQUCJPOWSOH-HNNXBMFYSA-N 1 1 346.446 4.031 20 30 EIEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001195233986 1053320532 /nfs/dbraw/zinc/32/05/32/1053320532.db2.gz MFIZQUCJPOWSOH-HNNXBMFYSA-N 1 1 346.446 4.031 20 30 EIEDMO CCCCCCCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC001195334512 1053388029 /nfs/dbraw/zinc/38/80/29/1053388029.db2.gz QTRFGZJNVOKOFS-IYBDPMFKSA-N 1 1 325.399 4.149 20 30 EIEDMO CCCCCCCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC001195334512 1053388040 /nfs/dbraw/zinc/38/80/40/1053388040.db2.gz QTRFGZJNVOKOFS-IYBDPMFKSA-N 1 1 325.399 4.149 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000764963257 1053399149 /nfs/dbraw/zinc/39/91/49/1053399149.db2.gz BWNGECXTCOZNHQ-SNRMKQJTSA-N 1 1 334.891 4.095 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000765424588 1053541471 /nfs/dbraw/zinc/54/14/71/1053541471.db2.gz ICOYVSCYKVXHHU-INIZCTEOSA-N 1 1 348.918 4.485 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000765424588 1053541480 /nfs/dbraw/zinc/54/14/80/1053541480.db2.gz ICOYVSCYKVXHHU-INIZCTEOSA-N 1 1 348.918 4.485 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC001196003525 1053551230 /nfs/dbraw/zinc/55/12/30/1053551230.db2.gz AGRGESCEQQCHJR-NRFANRHFSA-N 1 1 348.446 4.207 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776581001 1053564273 /nfs/dbraw/zinc/56/42/73/1053564273.db2.gz BRQQNONUAYMGGV-DLBZAZTESA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776587364 1053568331 /nfs/dbraw/zinc/56/83/31/1053568331.db2.gz MSZZVWHOQBXKPY-SJORKVTESA-N 1 1 349.519 4.180 20 30 EIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852594838 1053595211 /nfs/dbraw/zinc/59/52/11/1053595211.db2.gz DGCMFKIMNLTCDM-CRAIPNDOSA-N 1 1 348.874 4.023 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315099 1053630451 /nfs/dbraw/zinc/63/04/51/1053630451.db2.gz ZPFVAJCBWFGCDN-WMZOPIPTSA-N 1 1 341.417 4.430 20 30 EIEDMO C#CCC[N@@H+](CCOC)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001196401901 1053656664 /nfs/dbraw/zinc/65/66/64/1053656664.db2.gz DNVFDLREMLMTIV-UHFFFAOYSA-N 1 1 337.250 4.013 20 30 EIEDMO C#CCC[N@H+](CCOC)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001196401901 1053656668 /nfs/dbraw/zinc/65/66/68/1053656668.db2.gz DNVFDLREMLMTIV-UHFFFAOYSA-N 1 1 337.250 4.013 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866245037 1053663381 /nfs/dbraw/zinc/66/33/81/1053663381.db2.gz HIIVBBDYYQQFEH-BZNIZROVSA-N 1 1 328.412 4.291 20 30 EIEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196829981 1053773246 /nfs/dbraw/zinc/77/32/46/1053773246.db2.gz IIJFRBXHOOYAMJ-XJKSGUPXSA-N 1 1 326.362 4.098 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936783 1053809085 /nfs/dbraw/zinc/80/90/85/1053809085.db2.gz URFIWZIAIZBTQV-GHTZIAJQSA-N 1 1 325.500 4.206 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000121955498 1053863482 /nfs/dbraw/zinc/86/34/82/1053863482.db2.gz ZNSDNWSCYQLILB-RBUKOAKNSA-N 1 1 342.414 4.159 20 30 EIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000121955498 1053863487 /nfs/dbraw/zinc/86/34/87/1053863487.db2.gz ZNSDNWSCYQLILB-RBUKOAKNSA-N 1 1 342.414 4.159 20 30 EIEDMO Clc1ccccc1C#CC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197264814 1053864748 /nfs/dbraw/zinc/86/47/48/1053864748.db2.gz OBLFKVUFMXGXDS-LJQANCHMSA-N 1 1 336.866 4.176 20 30 EIEDMO Clc1ccccc1C#CC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197264814 1053864749 /nfs/dbraw/zinc/86/47/49/1053864749.db2.gz OBLFKVUFMXGXDS-LJQANCHMSA-N 1 1 336.866 4.176 20 30 EIEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC1(C#N)CCCCC1)CC2 ZINC001197496502 1053927605 /nfs/dbraw/zinc/92/76/05/1053927605.db2.gz KMFYAELZCUZQDJ-MRXNPFEDSA-N 1 1 342.483 4.487 20 30 EIEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC001197604139 1053954461 /nfs/dbraw/zinc/95/44/61/1053954461.db2.gz ZSZYGYVXQCDBQW-CYBMUJFWSA-N 1 1 347.528 4.051 20 30 EIEDMO Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC001197864974 1054018278 /nfs/dbraw/zinc/01/82/78/1054018278.db2.gz SRYUBFPMQUJQAZ-AWEZNQCLSA-N 1 1 345.899 4.431 20 30 EIEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC001197864974 1054018288 /nfs/dbraw/zinc/01/82/88/1054018288.db2.gz SRYUBFPMQUJQAZ-AWEZNQCLSA-N 1 1 345.899 4.431 20 30 EIEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001197863318 1054019103 /nfs/dbraw/zinc/01/91/03/1054019103.db2.gz CXSPMQJQEMNEBO-KRWDZBQOSA-N 1 1 344.911 4.411 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001198122219 1054083182 /nfs/dbraw/zinc/08/31/82/1054083182.db2.gz BOTWOUBNVKMSLD-UHFFFAOYSA-N 1 1 343.430 4.337 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC001198289972 1054116332 /nfs/dbraw/zinc/11/63/32/1054116332.db2.gz XREGWXCDAHKYHT-OAHLLOKOSA-N 1 1 338.517 4.470 20 30 EIEDMO C=CCCC[N@H+](CC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001198457926 1054150601 /nfs/dbraw/zinc/15/06/01/1054150601.db2.gz OGIMXHNPWGAKMZ-UHFFFAOYSA-N 1 1 339.270 4.362 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1cccc(C#N)c1O ZINC000872108827 1054390623 /nfs/dbraw/zinc/39/06/23/1054390623.db2.gz XYODVIDQHSJKDV-SECBINFHSA-N 1 1 326.343 4.195 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052179 1054410282 /nfs/dbraw/zinc/41/02/82/1054410282.db2.gz UYTXJPFFSGZINQ-FOIQADDNSA-N 1 1 333.435 4.045 20 30 EIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000872179596 1054423522 /nfs/dbraw/zinc/42/35/22/1054423522.db2.gz DDMWARRSXDHCJE-LBPRGKRZSA-N 1 1 326.227 4.191 20 30 EIEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137059091 1054440473 /nfs/dbraw/zinc/44/04/73/1054440473.db2.gz MECZYXGSNASAHQ-KRWDZBQOSA-N 1 1 349.409 4.222 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc(OC)c1O ZINC001201372427 1054764400 /nfs/dbraw/zinc/76/44/00/1054764400.db2.gz IVIFDFKANDYVIB-MRXNPFEDSA-N 1 1 345.826 4.006 20 30 EIEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001201390201 1054787676 /nfs/dbraw/zinc/78/76/76/1054787676.db2.gz DUKLILYPRUECQH-UHFFFAOYSA-N 1 1 334.504 4.067 20 30 EIEDMO N#CCc1ccccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477853 1054831240 /nfs/dbraw/zinc/83/12/40/1054831240.db2.gz NTXUOCNGIQMYLJ-RTWAWAEBSA-N 1 1 329.447 4.485 20 30 EIEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(OCCCC#N)c1 ZINC000125724943 1054851608 /nfs/dbraw/zinc/85/16/08/1054851608.db2.gz GCDHBPOIYUNDCK-UHFFFAOYSA-N 1 1 329.831 4.050 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201814233 1054912932 /nfs/dbraw/zinc/91/29/32/1054912932.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 1 1 335.561 4.400 20 30 EIEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001201815148 1054915710 /nfs/dbraw/zinc/91/57/10/1054915710.db2.gz XMPBVZBBWFYJDT-HXUWFJFHSA-N 1 1 330.520 4.129 20 30 EIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562026 1054928901 /nfs/dbraw/zinc/92/89/01/1054928901.db2.gz OCWXXKLGAPKSSW-FGTMMUONSA-N 1 1 349.519 4.038 20 30 EIEDMO CC(C)C[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C#N)cc1 ZINC000876603169 1054934885 /nfs/dbraw/zinc/93/48/85/1054934885.db2.gz KZLCOAFCTHXXFY-UHFFFAOYSA-N 1 1 335.407 4.063 20 30 EIEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876793192 1054958843 /nfs/dbraw/zinc/95/88/43/1054958843.db2.gz IWHIPGZQHJLPTI-AEFFLSMTSA-N 1 1 328.481 4.224 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1C(F)(F)F ZINC000876971150 1054990295 /nfs/dbraw/zinc/99/02/95/1054990295.db2.gz MOMPEOXCAFGPAE-JTQLQIEISA-N 1 1 339.748 4.476 20 30 EIEDMO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cc(C#N)cnc2Cl)c1C ZINC000877020576 1055004582 /nfs/dbraw/zinc/00/45/82/1055004582.db2.gz YQNGLEBDLAZHFS-UHFFFAOYSA-N 1 1 338.842 4.303 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1 ZINC001137119498 1055043516 /nfs/dbraw/zinc/04/35/16/1055043516.db2.gz RLNRDMTXVITCIR-LJQANCHMSA-N 1 1 328.362 4.204 20 30 EIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1 ZINC001137119498 1055043532 /nfs/dbraw/zinc/04/35/32/1055043532.db2.gz RLNRDMTXVITCIR-LJQANCHMSA-N 1 1 328.362 4.204 20 30 EIEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126640781 1055107803 /nfs/dbraw/zinc/10/78/03/1055107803.db2.gz ZTIPXEXKDYOOKT-KRWDZBQOSA-N 1 1 335.234 4.030 20 30 EIEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000794456320 1055124815 /nfs/dbraw/zinc/12/48/15/1055124815.db2.gz UAVDGRZPINRSPM-UHFFFAOYSA-N 1 1 325.309 4.357 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898981 1055148098 /nfs/dbraw/zinc/14/80/98/1055148098.db2.gz WYPLAMINJVFIPX-YADHBBJMSA-N 1 1 332.447 4.264 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000877916150 1055153300 /nfs/dbraw/zinc/15/33/00/1055153300.db2.gz YMDLOBKIUMBIOL-XZOQPEGZSA-N 1 1 346.474 4.134 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000877960770 1055162592 /nfs/dbraw/zinc/16/25/92/1055162592.db2.gz BOTGYPVUIOUUBN-PMACEKPBSA-N 1 1 338.476 4.326 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968086 1055165131 /nfs/dbraw/zinc/16/51/31/1055165131.db2.gz IJXNLQRTNMPHKK-GCJKJVERSA-N 1 1 334.463 4.429 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000878166001 1055197904 /nfs/dbraw/zinc/19/79/04/1055197904.db2.gz JFYIFDAHMHSTAO-MTNREXPMSA-N 1 1 332.447 4.120 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338926610 1055295818 /nfs/dbraw/zinc/29/58/18/1055295818.db2.gz OZILMNKDCWGXOA-UHFFFAOYSA-N 1 1 338.480 4.134 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338926610 1055295845 /nfs/dbraw/zinc/29/58/45/1055295845.db2.gz OZILMNKDCWGXOA-UHFFFAOYSA-N 1 1 338.480 4.134 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C/C(C)=C/c1ccccc1)c1ccccc1 ZINC000878509634 1055330607 /nfs/dbraw/zinc/33/06/07/1055330607.db2.gz SEXFMIHGHOLRNN-BBIZSYTBSA-N 1 1 346.474 4.462 20 30 EIEDMO N#Cc1cc(Cl)ccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301159633 1055901199 /nfs/dbraw/zinc/90/11/99/1055901199.db2.gz BFVCDAKMRBUFCN-UHFFFAOYSA-N 1 1 336.826 4.111 20 30 EIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273523453 1055908164 /nfs/dbraw/zinc/90/81/64/1055908164.db2.gz QHEDUJYJDMNICN-QUCCMNQESA-N 1 1 342.389 4.189 20 30 EIEDMO Cc1ccc(CNc2ccc3cc(C#N)ccc3n2)c(N2CCCC2)[nH+]1 ZINC000302057850 1056013206 /nfs/dbraw/zinc/01/32/06/1056013206.db2.gz RJSRBIUTKUTIFK-UHFFFAOYSA-N 1 1 343.434 4.022 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000302099612 1056016621 /nfs/dbraw/zinc/01/66/21/1056016621.db2.gz KTEIFSMHURERNL-KKSFZXQISA-N 1 1 347.462 4.083 20 30 EIEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134386 1056023400 /nfs/dbraw/zinc/02/34/00/1056023400.db2.gz ZJTYQQKSSAOKAZ-HRAATJIYSA-N 1 1 347.462 4.226 20 30 EIEDMO N#Cc1c(C[N@H+](CCc2cccc(F)c2)C2CC2)cn2ccccc12 ZINC000303542832 1056207092 /nfs/dbraw/zinc/20/70/92/1056207092.db2.gz GJLBWWBJTZXSQT-UHFFFAOYSA-N 1 1 333.410 4.157 20 30 EIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109093975 1056376180 /nfs/dbraw/zinc/37/61/80/1056376180.db2.gz YJFVWJBWQZOUDF-OAHLLOKOSA-N 1 1 347.418 4.326 20 30 EIEDMO CCOc1ccc(CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000073182609 1056540011 /nfs/dbraw/zinc/54/00/11/1056540011.db2.gz BXHNUTYFDWBSPL-FQEVSTJZSA-N 1 1 339.483 4.173 20 30 EIEDMO COc1c(C)cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1C ZINC000110296450 1056601103 /nfs/dbraw/zinc/60/11/03/1056601103.db2.gz LCZLKIZCAJVQIM-UHFFFAOYSA-N 1 1 333.435 4.068 20 30 EIEDMO COc1c(C)cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1C ZINC000110296450 1056601136 /nfs/dbraw/zinc/60/11/36/1056601136.db2.gz LCZLKIZCAJVQIM-UHFFFAOYSA-N 1 1 333.435 4.068 20 30 EIEDMO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OCC(F)(F)F)c1 ZINC000921831064 1056664184 /nfs/dbraw/zinc/66/41/84/1056664184.db2.gz VBCJUCPGAGYFBW-UHFFFAOYSA-N 1 1 340.370 4.159 20 30 EIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1)C(C)C ZINC000153886585 1056723940 /nfs/dbraw/zinc/72/39/40/1056723940.db2.gz SBSUNWSEVJKYEL-UHFFFAOYSA-N 1 1 349.478 4.061 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000111310433 1056783735 /nfs/dbraw/zinc/78/37/35/1056783735.db2.gz JPSDZWNYXHTUBC-SFHVURJKSA-N 1 1 336.464 4.085 20 30 EIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000111310433 1056783742 /nfs/dbraw/zinc/78/37/42/1056783742.db2.gz JPSDZWNYXHTUBC-SFHVURJKSA-N 1 1 336.464 4.085 20 30 EIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000742381858 1058582455 /nfs/dbraw/zinc/58/24/55/1058582455.db2.gz OKUCEKZTGDSEGU-UHFFFAOYSA-N 1 1 326.268 4.145 20 30 EIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869126 1059179525 /nfs/dbraw/zinc/17/95/25/1059179525.db2.gz LSCYMGCTQGEDOK-HZPDHXFCSA-N 1 1 338.904 4.348 20 30 EIEDMO CC[C@](C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1nc(C)cs1 ZINC000744424416 1059480675 /nfs/dbraw/zinc/48/06/75/1059480675.db2.gz KPLYDCRWVXAACT-KRWDZBQOSA-N 1 1 349.887 4.422 20 30 EIEDMO COCC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000746149855 1060046719 /nfs/dbraw/zinc/04/67/19/1060046719.db2.gz GLSJMXRCUCYPBA-SFHVURJKSA-N 1 1 338.451 4.037 20 30 EIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1c(F)cccc1F ZINC000746153047 1060049876 /nfs/dbraw/zinc/04/98/76/1060049876.db2.gz OVPHELOYCYWJMU-IBGZPJMESA-N 1 1 344.405 4.028 20 30 EIEDMO C=CCc1cc(C)c[nH+]c1NC1CCN(c2ncccc2Cl)CC1 ZINC001169164401 1060675933 /nfs/dbraw/zinc/67/59/33/1060675933.db2.gz CIGPECZXAYHDCW-UHFFFAOYSA-N 1 1 342.874 4.248 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1C ZINC001169285773 1060743510 /nfs/dbraw/zinc/74/35/10/1060743510.db2.gz XVFWPEGEAVKZJK-GUYCJALGSA-N 1 1 333.863 4.051 20 30 EIEDMO C#CCCCCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001169705990 1060910449 /nfs/dbraw/zinc/91/04/49/1060910449.db2.gz XNWBVLIHYWPFBT-UHFFFAOYSA-N 1 1 336.273 4.227 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001169705990 1060910462 /nfs/dbraw/zinc/91/04/62/1060910462.db2.gz XNWBVLIHYWPFBT-UHFFFAOYSA-N 1 1 336.273 4.227 20 30 EIEDMO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)s1 ZINC001169811566 1060980683 /nfs/dbraw/zinc/98/06/83/1060980683.db2.gz OZQKMLKNZWVLNC-UHFFFAOYSA-N 1 1 345.899 4.212 20 30 EIEDMO C=CC[C@H]1[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCCC1(C)C ZINC001169845477 1060996218 /nfs/dbraw/zinc/99/62/18/1060996218.db2.gz VDSDSGZBHLANRE-QGZVFWFLSA-N 1 1 336.426 4.360 20 30 EIEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855132 1061000190 /nfs/dbraw/zinc/00/01/90/1061000190.db2.gz XHMTXXHOLJSOBH-CRAIPNDOSA-N 1 1 335.407 4.153 20 30 EIEDMO CC(C)[Si](C#C[NH2+][C@H]1C(=O)NCc2ccccc21)(C(C)C)C(C)C ZINC001169884971 1061007819 /nfs/dbraw/zinc/00/78/19/1061007819.db2.gz LXAIQNLWZZXDSU-LJQANCHMSA-N 1 1 342.559 4.126 20 30 EIEDMO CC[N@@H+]1CC=C(c2cnc(NC3=CC(=O)CC(C)(C)C3)c(C)c2)CC1 ZINC001169947012 1061049783 /nfs/dbraw/zinc/04/97/83/1061049783.db2.gz QWPGUMGAHZCPPT-UHFFFAOYSA-N 1 1 339.483 4.184 20 30 EIEDMO C#CCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000766895537 1061056872 /nfs/dbraw/zinc/05/68/72/1061056872.db2.gz QCGMCASYCSDALO-HXUWFJFHSA-N 1 1 341.476 4.126 20 30 EIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000072553316 216273102 /nfs/dbraw/zinc/27/31/02/216273102.db2.gz SQSVOVRFCBLKDJ-UHFFFAOYSA-N 1 1 335.662 4.483 20 30 EIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000072553316 216273104 /nfs/dbraw/zinc/27/31/04/216273104.db2.gz SQSVOVRFCBLKDJ-UHFFFAOYSA-N 1 1 335.662 4.483 20 30 EIEDMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000078708734 217105936 /nfs/dbraw/zinc/10/59/36/217105936.db2.gz HQNGSNZRQOMPLP-LLVKDONJSA-N 1 1 347.871 4.179 20 30 EIEDMO C=CCC1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCCC1 ZINC000449844913 1032060238 /nfs/dbraw/zinc/06/02/38/1032060238.db2.gz NEGNMYSSDAOZCN-KRWDZBQOSA-N 1 1 342.483 4.155 20 30 EIEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000137087447 1032069377 /nfs/dbraw/zinc/06/93/77/1032069377.db2.gz LQGLCVMOKMJEHC-DNVCBOLYSA-N 1 1 340.423 4.054 20 30 EIEDMO C=CCC1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCCCC1 ZINC000449890618 1032089387 /nfs/dbraw/zinc/08/93/87/1032089387.db2.gz UBQPMLQBNVQAQV-UHFFFAOYSA-N 1 1 341.499 4.002 20 30 EIEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000449933459 1032136644 /nfs/dbraw/zinc/13/66/44/1032136644.db2.gz BHAPTQNTQYIRRG-FUHWJXTLSA-N 1 1 346.540 4.384 20 30 EIEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450000158 1032189371 /nfs/dbraw/zinc/18/93/71/1032189371.db2.gz RPVBUYQGVXAWAS-FQEVSTJZSA-N 1 1 340.511 4.103 20 30 EIEDMO CCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000105430971 1032229122 /nfs/dbraw/zinc/22/91/22/1032229122.db2.gz PRDXPPHBQBSABG-UHFFFAOYSA-N 1 1 331.435 4.297 20 30 EIEDMO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000360078881 1032239297 /nfs/dbraw/zinc/23/92/97/1032239297.db2.gz YRTBNDIEOUPQNG-WMLDXEAASA-N 1 1 341.480 4.122 20 30 EIEDMO Cc1cc(C[N@@H+](C)CCCCC#N)cc(C)c1OCC(F)(F)F ZINC000102397692 1032416449 /nfs/dbraw/zinc/41/64/49/1032416449.db2.gz VUKHOEGTFREKIN-UHFFFAOYSA-N 1 1 328.378 4.370 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c(F)c1 ZINC000532990220 1032438309 /nfs/dbraw/zinc/43/83/09/1032438309.db2.gz QEGHGKROQFPMTD-UHFFFAOYSA-N 1 1 333.366 4.174 20 30 EIEDMO COCc1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641087 1032502220 /nfs/dbraw/zinc/50/22/20/1032502220.db2.gz BJPRYNFSXBXCIW-IEBWSBKVSA-N 1 1 349.478 4.027 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000302807792 1032511939 /nfs/dbraw/zinc/51/19/39/1032511939.db2.gz FCFHHBMQSQCUEN-QGZVFWFLSA-N 1 1 328.481 4.372 20 30 EIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000302807792 1032511947 /nfs/dbraw/zinc/51/19/47/1032511947.db2.gz FCFHHBMQSQCUEN-QGZVFWFLSA-N 1 1 328.481 4.372 20 30 EIEDMO N#CC1(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCC1 ZINC000450513410 1032537640 /nfs/dbraw/zinc/53/76/40/1032537640.db2.gz WDNFZZRXLXGWGT-UHFFFAOYSA-N 1 1 329.831 4.354 20 30 EIEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475734244 1032543110 /nfs/dbraw/zinc/54/31/10/1032543110.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 1 1 339.527 4.304 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475734244 1032543113 /nfs/dbraw/zinc/54/31/13/1032543113.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 1 1 339.527 4.304 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245937091 1032563431 /nfs/dbraw/zinc/56/34/31/1032563431.db2.gz AHDQXSYVDIRTKL-IERDGZPVSA-N 1 1 336.435 4.323 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285269 1032595035 /nfs/dbraw/zinc/59/50/35/1032595035.db2.gz YGMQMKOTCQURDC-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285269 1032595048 /nfs/dbraw/zinc/59/50/48/1032595048.db2.gz YGMQMKOTCQURDC-HNNXBMFYSA-N 1 1 341.405 4.110 20 30 EIEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533369171 1032706530 /nfs/dbraw/zinc/70/65/30/1032706530.db2.gz VEQJAILNIRWIML-INIZCTEOSA-N 1 1 338.451 4.376 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(F)c1 ZINC000533449307 1032763967 /nfs/dbraw/zinc/76/39/67/1032763967.db2.gz YDNWXCTYQOXXQG-UHFFFAOYSA-N 1 1 339.414 4.094 20 30 EIEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000274545825 1018785357 /nfs/dbraw/zinc/78/53/57/1018785357.db2.gz COTUZQULOVXWDU-UWVGGRQHSA-N 1 1 325.359 4.445 20 30 EIEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966164 1019684696 /nfs/dbraw/zinc/68/46/96/1019684696.db2.gz NUYGHYIGEZOFJT-GFCCVEGCSA-N 1 1 332.245 4.056 20 30 EIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000339660299 1019784557 /nfs/dbraw/zinc/78/45/57/1019784557.db2.gz WVJFXXUQBVEJPT-IBGZPJMESA-N 1 1 348.425 4.020 20 30 EIEDMO C=CC[N@H+](CCOc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC001167251180 1020671125 /nfs/dbraw/zinc/67/11/25/1020671125.db2.gz BVEHQVOTRLGIBN-UHFFFAOYSA-N 1 1 344.817 4.418 20 30 EIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527676 1020691357 /nfs/dbraw/zinc/69/13/57/1020691357.db2.gz ABLUOUVCLKDVII-IFMALSPDSA-N 1 1 349.478 4.031 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1OC ZINC000348633261 1020781281 /nfs/dbraw/zinc/78/12/81/1020781281.db2.gz JXPLSSCUMYGIHN-UHFFFAOYSA-N 1 1 325.408 4.142 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000580020152 1021148668 /nfs/dbraw/zinc/14/86/68/1021148668.db2.gz DSMIDFWGJKIIPH-KRWDZBQOSA-N 1 1 345.368 4.263 20 30 EIEDMO CC(N=Nc1ccccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131255 1021225134 /nfs/dbraw/zinc/22/51/34/1021225134.db2.gz JAICBRMPAKYJFT-UHFFFAOYSA-N 1 1 331.847 4.117 20 30 EIEDMO C=C(C)C[N@H+](CCCc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512517224 1032972308 /nfs/dbraw/zinc/97/23/08/1032972308.db2.gz SAXJDZUSIBKXOA-UHFFFAOYSA-N 1 1 341.499 4.484 20 30 EIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCc2ccccn2)c1 ZINC000180048883 1021484961 /nfs/dbraw/zinc/48/49/61/1021484961.db2.gz GTSMNVTYOCEPJW-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000471526034 1021540369 /nfs/dbraw/zinc/54/03/69/1021540369.db2.gz BWGATZQTRKSLEU-MRXNPFEDSA-N 1 1 333.501 4.239 20 30 EIEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355938 1021672136 /nfs/dbraw/zinc/67/21/36/1021672136.db2.gz FHFDBTCOBSLRMC-KGLIPLIRSA-N 1 1 347.890 4.439 20 30 EIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089899 1021711498 /nfs/dbraw/zinc/71/14/98/1021711498.db2.gz YEOQGOVVJPIXQZ-INIZCTEOSA-N 1 1 342.446 4.078 20 30 EIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1C)c1ccc(F)c(F)c1 ZINC000187792416 1022132840 /nfs/dbraw/zinc/13/28/40/1022132840.db2.gz MEFFDBDIVJAJCX-HXUWFJFHSA-N 1 1 344.405 4.427 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OC)oc1CC)c1ccc(F)c(F)c1 ZINC000187793993 1022238335 /nfs/dbraw/zinc/23/83/35/1022238335.db2.gz JSIBIMUMNAISBI-GOSISDBHSA-N 1 1 349.377 4.314 20 30 EIEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481111677 1022456139 /nfs/dbraw/zinc/45/61/39/1022456139.db2.gz QOWHTTVDBYSILI-AWEZNQCLSA-N 1 1 339.302 4.038 20 30 EIEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481111679 1022467411 /nfs/dbraw/zinc/46/74/11/1022467411.db2.gz QOWHTTVDBYSILI-CQSZACIVSA-N 1 1 339.302 4.038 20 30 EIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1(O)CCCC1 ZINC000472588993 1022572404 /nfs/dbraw/zinc/57/24/04/1022572404.db2.gz MEMMOLFXUKJBKZ-UHFFFAOYSA-N 1 1 348.490 4.123 20 30 EIEDMO C[N@@H+](CCCC#N)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000102696921 1022624488 /nfs/dbraw/zinc/62/44/88/1022624488.db2.gz JTPXGELLEMDTCE-UHFFFAOYSA-N 1 1 336.464 4.336 20 30 EIEDMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000177857141 1022703349 /nfs/dbraw/zinc/70/33/49/1022703349.db2.gz MPTJRIPUWHLULL-GFCCVEGCSA-N 1 1 334.341 4.458 20 30 EIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1Br)c1ccc(C#N)cc1 ZINC000156705176 1022727876 /nfs/dbraw/zinc/72/78/76/1022727876.db2.gz IDSODRBLVDGTSZ-LLVKDONJSA-N 1 1 333.204 4.311 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000549077605 1022769803 /nfs/dbraw/zinc/76/98/03/1022769803.db2.gz BFSBYMGHILAZOH-KRWDZBQOSA-N 1 1 328.362 4.039 20 30 EIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000014237869 1022864424 /nfs/dbraw/zinc/86/44/24/1022864424.db2.gz DMIYNPJDMQKULC-UHFFFAOYSA-N 1 1 343.352 4.462 20 30 EIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000014237869 1022864426 /nfs/dbraw/zinc/86/44/26/1022864426.db2.gz DMIYNPJDMQKULC-UHFFFAOYSA-N 1 1 343.352 4.462 20 30 EIEDMO CC(C)[N@@H+]1CCc2nc(/C=C3\CCc4ccccc4C3=O)sc2C1 ZINC000378639167 1022902416 /nfs/dbraw/zinc/90/24/16/1022902416.db2.gz DRLXSVHGNGQYKR-RVDMUPIBSA-N 1 1 338.476 4.122 20 30 EIEDMO CC(C)[N@H+]1CCc2nc(/C=C3\CCc4ccccc4C3=O)sc2C1 ZINC000378639167 1022902438 /nfs/dbraw/zinc/90/24/38/1022902438.db2.gz DRLXSVHGNGQYKR-RVDMUPIBSA-N 1 1 338.476 4.122 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000157808096 1022902599 /nfs/dbraw/zinc/90/25/99/1022902599.db2.gz GVLNRIOUPNXMFP-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000157808096 1022902615 /nfs/dbraw/zinc/90/26/15/1022902615.db2.gz GVLNRIOUPNXMFP-UHFFFAOYSA-N 1 1 331.394 4.295 20 30 EIEDMO FC(F)(F)[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000656453374 1022921092 /nfs/dbraw/zinc/92/10/92/1022921092.db2.gz WRRIVELTXQMPDR-AOOOYVTPSA-N 1 1 339.270 4.485 20 30 EIEDMO C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000376544954 1022956505 /nfs/dbraw/zinc/95/65/05/1022956505.db2.gz GGEYCPZSOOJZRT-RHSMWYFYSA-N 1 1 335.373 4.112 20 30 EIEDMO C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000376544954 1022956526 /nfs/dbraw/zinc/95/65/26/1022956526.db2.gz GGEYCPZSOOJZRT-RHSMWYFYSA-N 1 1 335.373 4.112 20 30 EIEDMO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000236848926 1023021205 /nfs/dbraw/zinc/02/12/05/1023021205.db2.gz VRPSBWQXZNAEFX-UHFFFAOYSA-N 1 1 348.805 4.048 20 30 EIEDMO Fc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)cc(F)c1C(F)(F)F ZINC001140881309 1023120540 /nfs/dbraw/zinc/12/05/40/1023120540.db2.gz UPIFPHSUCSPRIH-VIFPVBQESA-N 1 1 329.259 4.461 20 30 EIEDMO Fc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc(F)c1C(F)(F)F ZINC001140881309 1023120547 /nfs/dbraw/zinc/12/05/47/1023120547.db2.gz UPIFPHSUCSPRIH-VIFPVBQESA-N 1 1 329.259 4.461 20 30 EIEDMO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1C#N ZINC000135181958 1023191740 /nfs/dbraw/zinc/19/17/40/1023191740.db2.gz IVIXVHRHJSUKOA-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1C#N ZINC000135181958 1023191746 /nfs/dbraw/zinc/19/17/46/1023191746.db2.gz IVIXVHRHJSUKOA-UHFFFAOYSA-N 1 1 348.402 4.068 20 30 EIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC001167461302 1023210487 /nfs/dbraw/zinc/21/04/87/1023210487.db2.gz DWUZTIJLEPZDNO-MRXNPFEDSA-N 1 1 332.513 4.192 20 30 EIEDMO C=CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1cccs1 ZINC000659816781 1023291881 /nfs/dbraw/zinc/29/18/81/1023291881.db2.gz UFOLPDRCRZSBHN-KRWDZBQOSA-N 1 1 344.505 4.239 20 30 EIEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865899 1023327145 /nfs/dbraw/zinc/32/71/45/1023327145.db2.gz CHWCNOZWAFUMII-WMZOPIPTSA-N 1 1 328.419 4.319 20 30 EIEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520306 1023329097 /nfs/dbraw/zinc/32/90/97/1023329097.db2.gz QEURXRQIGKJKKM-UHFFFAOYSA-N 1 1 348.368 4.226 20 30 EIEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132721 1023468967 /nfs/dbraw/zinc/46/89/67/1023468967.db2.gz MKFJUBSZVOMJQN-GHTZIAJQSA-N 1 1 338.426 4.297 20 30 EIEDMO C#Cc1ccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1 ZINC000377551023 1023600498 /nfs/dbraw/zinc/60/04/98/1023600498.db2.gz UHDBTTPSOXUUOZ-NRFANRHFSA-N 1 1 334.369 4.220 20 30 EIEDMO C=CCOc1ccccc1CNC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390603288 1023714487 /nfs/dbraw/zinc/71/44/87/1023714487.db2.gz ZKQZOQMUTBRMQT-OAQYLSRUSA-N 1 1 336.479 4.006 20 30 EIEDMO C=CCOc1ccccc1CNC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390603288 1023714499 /nfs/dbraw/zinc/71/44/99/1023714499.db2.gz ZKQZOQMUTBRMQT-OAQYLSRUSA-N 1 1 336.479 4.006 20 30 EIEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000581808967 1023721650 /nfs/dbraw/zinc/72/16/50/1023721650.db2.gz CVEAQABHVJIFBM-JXFKEZNVSA-N 1 1 339.389 4.282 20 30 EIEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511713918 1023836496 /nfs/dbraw/zinc/83/64/96/1023836496.db2.gz RBMHKYGVXQHZMN-FQEVSTJZSA-N 1 1 340.511 4.172 20 30 EIEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066856127 1023845591 /nfs/dbraw/zinc/84/55/91/1023845591.db2.gz FKKLVLSLDMXPFM-AWEZNQCLSA-N 1 1 342.468 4.005 20 30 EIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000047257228 1023877834 /nfs/dbraw/zinc/87/78/34/1023877834.db2.gz QXOJYPRRKMQRBH-UHFFFAOYSA-N 1 1 343.430 4.337 20 30 EIEDMO CCCCCCCOc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1 ZINC000276710009 1023881726 /nfs/dbraw/zinc/88/17/26/1023881726.db2.gz ORMJGFRFJBUEMB-MRXNPFEDSA-N 1 1 330.476 4.015 20 30 EIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCCCC3)o2)c1 ZINC000075641814 1024196526 /nfs/dbraw/zinc/19/65/26/1024196526.db2.gz UJDWDRVUZPLWAY-SFHVURJKSA-N 1 1 336.439 4.153 20 30 EIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)ccc1OC(F)F ZINC000595090172 1024196607 /nfs/dbraw/zinc/19/66/07/1024196607.db2.gz DRZLZYNYOLKPOW-CYBMUJFWSA-N 1 1 338.398 4.421 20 30 EIEDMO C=CCOc1cccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000510728125 1024354944 /nfs/dbraw/zinc/35/49/44/1024354944.db2.gz FBRKRYSOZMOQRZ-UHFFFAOYSA-N 1 1 345.487 4.028 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000510825533 1024562810 /nfs/dbraw/zinc/56/28/10/1024562810.db2.gz IATPLBLYANNCCY-KYHPRHEASA-N 1 1 334.529 4.066 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000510825533 1024562852 /nfs/dbraw/zinc/56/28/52/1024562852.db2.gz IATPLBLYANNCCY-KYHPRHEASA-N 1 1 334.529 4.066 20 30 EIEDMO C=CCOc1ccc(C[N@@H+](Cc2nnc(C3CC3)o2)C(C)(C)C)cc1 ZINC000131851949 1024996428 /nfs/dbraw/zinc/99/64/28/1024996428.db2.gz YMFYQZDCUPADHB-UHFFFAOYSA-N 1 1 341.455 4.313 20 30 EIEDMO C=CCOc1ccc(C[N@H+](Cc2nnc(C3CC3)o2)C(C)(C)C)cc1 ZINC000131851949 1024996432 /nfs/dbraw/zinc/99/64/32/1024996432.db2.gz YMFYQZDCUPADHB-UHFFFAOYSA-N 1 1 341.455 4.313 20 30 EIEDMO CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1Cl ZINC000342007245 1025034622 /nfs/dbraw/zinc/03/46/22/1025034622.db2.gz ANGPEDVXSCWNJD-MRXNPFEDSA-N 1 1 349.906 4.121 20 30 EIEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000181295301 1025156471 /nfs/dbraw/zinc/15/64/71/1025156471.db2.gz PXAJLPOPVRIOSE-NSHDSACASA-N 1 1 325.334 4.324 20 30 EIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000181295301 1025156483 /nfs/dbraw/zinc/15/64/83/1025156483.db2.gz PXAJLPOPVRIOSE-NSHDSACASA-N 1 1 325.334 4.324 20 30 EIEDMO CC1CCC([N@H+](Cc2ccc(C#N)cc2F)C[C@H]2CCCO2)CC1 ZINC000215663053 1025205867 /nfs/dbraw/zinc/20/58/67/1025205867.db2.gz KGHXMJSIKRIJEX-XUJQIHCRSA-N 1 1 330.447 4.257 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1ccnc(C#N)c1 ZINC000610991660 1025213869 /nfs/dbraw/zinc/21/38/69/1025213869.db2.gz QERKERJBMKNDRN-UHFFFAOYSA-N 1 1 344.256 4.126 20 30 EIEDMO CC(C)c1ccc(OC2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000610991718 1025224551 /nfs/dbraw/zinc/22/45/51/1025224551.db2.gz DXQUIWDVWWTUHM-UHFFFAOYSA-N 1 1 335.451 4.120 20 30 EIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000610994605 1025240441 /nfs/dbraw/zinc/24/04/41/1025240441.db2.gz XBSNFZZXMJVLOL-UHFFFAOYSA-N 1 1 348.446 4.255 20 30 EIEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499103 1025335674 /nfs/dbraw/zinc/33/56/74/1025335674.db2.gz BVUJKNUJEKODGR-GCJKJVERSA-N 1 1 334.463 4.453 20 30 EIEDMO CC[C@@H](CC#N)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000893605775 1025343067 /nfs/dbraw/zinc/34/30/67/1025343067.db2.gz JWQFCODKLVOKJJ-INIZCTEOSA-N 1 1 340.377 4.061 20 30 EIEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500922 1025361435 /nfs/dbraw/zinc/36/14/35/1025361435.db2.gz XQDLOEFKYUHWRD-ZBFHGGJFSA-N 1 1 347.890 4.016 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(Cl)c1 ZINC000342184197 1025400573 /nfs/dbraw/zinc/40/05/73/1025400573.db2.gz YZJCXKONHNNSBA-UHFFFAOYSA-N 1 1 329.806 4.067 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000426545943 1025523080 /nfs/dbraw/zinc/52/30/80/1025523080.db2.gz TWMCRTYHRNIASG-LJQANCHMSA-N 1 1 338.451 4.210 20 30 EIEDMO C=CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000426600435 1025732697 /nfs/dbraw/zinc/73/26/97/1025732697.db2.gz HVEXULRRTVCXBF-UYAOXDASSA-N 1 1 328.500 4.117 20 30 EIEDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609384860 1025857406 /nfs/dbraw/zinc/85/74/06/1025857406.db2.gz KWXNACQLQKQUJW-HZPDHXFCSA-N 1 1 345.512 4.141 20 30 EIEDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609384860 1025857413 /nfs/dbraw/zinc/85/74/13/1025857413.db2.gz KWXNACQLQKQUJW-HZPDHXFCSA-N 1 1 345.512 4.141 20 30 EIEDMO C[N@@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000101566002 1026175049 /nfs/dbraw/zinc/17/50/49/1026175049.db2.gz APEFHUGGFFWKDC-UHFFFAOYSA-N 1 1 345.512 4.143 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)c1ccc(C#N)cc1 ZINC000344279252 1026209700 /nfs/dbraw/zinc/20/97/00/1026209700.db2.gz DHMLDHFEWARLSS-KGLIPLIRSA-N 1 1 334.448 4.489 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCC2(CCCCC2)O1 ZINC000512188301 1026293887 /nfs/dbraw/zinc/29/38/87/1026293887.db2.gz YBWNPILLYOCCPA-GOSISDBHSA-N 1 1 333.472 4.032 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(C)C ZINC000512210601 1026472242 /nfs/dbraw/zinc/47/22/42/1026472242.db2.gz GHFGOBVCDRSMDL-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(C)C ZINC000512210601 1026472253 /nfs/dbraw/zinc/47/22/53/1026472253.db2.gz GHFGOBVCDRSMDL-UHFFFAOYSA-N 1 1 329.440 4.137 20 30 EIEDMO C=CC[C@H](C(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC000426849497 1026589325 /nfs/dbraw/zinc/58/93/25/1026589325.db2.gz VAHKQBSVBFWOLV-NRFANRHFSA-N 1 1 342.527 4.317 20 30 EIEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512291276 1026653873 /nfs/dbraw/zinc/65/38/73/1026653873.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 1 1 339.527 4.304 20 30 EIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512291276 1026653882 /nfs/dbraw/zinc/65/38/82/1026653882.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 1 1 339.527 4.304 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1F ZINC000512287544 1026655339 /nfs/dbraw/zinc/65/53/39/1026655339.db2.gz IJUJHXKXUSBYPH-CYBMUJFWSA-N 1 1 327.403 4.120 20 30 EIEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507145708 1026662305 /nfs/dbraw/zinc/66/23/05/1026662305.db2.gz UVSRFEHRVXQMPS-FQEVSTJZSA-N 1 1 336.483 4.474 20 30 EIEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313365 1026682655 /nfs/dbraw/zinc/68/26/55/1026682655.db2.gz IPYIMLBUPBYWHI-HLLBOEOZSA-N 1 1 329.463 4.001 20 30 EIEDMO CC(C)[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000507172860 1026684736 /nfs/dbraw/zinc/68/47/36/1026684736.db2.gz IZGCVVGWQHMSBM-UHFFFAOYSA-N 1 1 348.425 4.294 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCc1ccncc1 ZINC000507212827 1026703592 /nfs/dbraw/zinc/70/35/92/1026703592.db2.gz PANCSSUZPAJGCJ-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000015372018 1026712510 /nfs/dbraw/zinc/71/25/10/1026712510.db2.gz VBVAAFFJGRSWOS-IBGZPJMESA-N 1 1 349.478 4.243 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000507250982 1026717678 /nfs/dbraw/zinc/71/76/78/1026717678.db2.gz DWYPVVKZQBAMAL-UHFFFAOYSA-N 1 1 336.769 4.445 20 30 EIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507258403 1026721611 /nfs/dbraw/zinc/72/16/11/1026721611.db2.gz OUAYPBQGUMYCSH-UHFFFAOYSA-N 1 1 336.479 4.210 20 30 EIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(C#N)cc1F ZINC000479442902 1026814242 /nfs/dbraw/zinc/81/42/42/1026814242.db2.gz XCCLLDUSIQLTEP-MNOVXSKESA-N 1 1 348.219 4.267 20 30 EIEDMO CC[C@](C)(C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000507488411 1026815902 /nfs/dbraw/zinc/81/59/02/1026815902.db2.gz UUFXCHZQIANPGA-OAQYLSRUSA-N 1 1 341.499 4.007 20 30 EIEDMO 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CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3ccc(C#N)cc3)c2C1 ZINC000171072886 1031172655 /nfs/dbraw/zinc/17/26/55/1031172655.db2.gz CKAQKPLYGNRBTC-UHFFFAOYSA-N 1 1 347.462 4.101 20 30 EIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C)cc1 ZINC000532489744 1031212795 /nfs/dbraw/zinc/21/27/95/1031212795.db2.gz HVUYJDPICAQBOX-UHFFFAOYSA-N 1 1 341.480 4.006 20 30 EIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C)cc1 ZINC000532489744 1031212815 /nfs/dbraw/zinc/21/28/15/1031212815.db2.gz HVUYJDPICAQBOX-UHFFFAOYSA-N 1 1 341.480 4.006 20 30 EIEDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 ZINC000532483530 1031215974 /nfs/dbraw/zinc/21/59/74/1031215974.db2.gz LURSAGUFCXYARQ-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 ZINC000532483530 1031215991 /nfs/dbraw/zinc/21/59/91/1031215991.db2.gz LURSAGUFCXYARQ-UHFFFAOYSA-N 1 1 347.871 4.122 20 30 EIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000532503524 1031225046 /nfs/dbraw/zinc/22/50/46/1031225046.db2.gz 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CC(C)CCn1nc(C[NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000449490049 1031804026 /nfs/dbraw/zinc/80/40/26/1031804026.db2.gz WBHNRBCBXFXXKJ-UHFFFAOYSA-N 1 1 332.451 4.244 20 30 EIEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000152304539 1031912301 /nfs/dbraw/zinc/91/23/01/1031912301.db2.gz USDXQGUYLQFLIM-UHFFFAOYSA-N 1 1 335.451 4.188 20 30 EIEDMO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512620253 1033508810 /nfs/dbraw/zinc/50/88/10/1033508810.db2.gz PKPRPIQWVXZTFG-INIZCTEOSA-N 1 1 339.458 4.388 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512620253 1033508822 /nfs/dbraw/zinc/50/88/22/1033508822.db2.gz PKPRPIQWVXZTFG-INIZCTEOSA-N 1 1 339.458 4.388 20 30 EIEDMO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1F ZINC000512620254 1033509023 /nfs/dbraw/zinc/50/90/23/1033509023.db2.gz PKPRPIQWVXZTFG-MRXNPFEDSA-N 1 1 339.458 4.388 20 30 EIEDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1F ZINC000512620254 1033509042 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N#CC[C@@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595615085 1035750347 /nfs/dbraw/zinc/75/03/47/1035750347.db2.gz OWQZZWRTUPWUPV-YDOVZFOCSA-N 1 1 333.273 4.478 20 30 EIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000593112016 1035776280 /nfs/dbraw/zinc/77/62/80/1035776280.db2.gz MSIBZTMCZYBHMK-UHFFFAOYSA-N 1 1 334.316 4.495 20 30 EIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])c1 ZINC000595766069 1035778394 /nfs/dbraw/zinc/77/83/94/1035778394.db2.gz AWGNGMYJXHJHLQ-UHFFFAOYSA-N 1 1 339.370 4.018 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])c1 ZINC000595766069 1035778412 /nfs/dbraw/zinc/77/84/12/1035778412.db2.gz AWGNGMYJXHJHLQ-UHFFFAOYSA-N 1 1 339.370 4.018 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747064 1035782323 /nfs/dbraw/zinc/78/23/23/1035782323.db2.gz FQOWQLBRBGNQCZ-LEWJYISDSA-N 1 1 348.490 4.086 20 30 EIEDMO CCC[N@@H+](CCOc1ccccc1C(C)=O)Cc1ccc(C#N)cc1 ZINC000502056879 1035817211 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ZINC000502470856 1036229436 /nfs/dbraw/zinc/22/94/36/1036229436.db2.gz XUBXOOLQVAGZSM-CQSZACIVSA-N 1 1 346.833 4.494 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471349 1036231394 /nfs/dbraw/zinc/23/13/94/1036231394.db2.gz YQOFOWKOOQEHQJ-MRXNPFEDSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471349 1036231414 /nfs/dbraw/zinc/23/14/14/1036231414.db2.gz YQOFOWKOOQEHQJ-MRXNPFEDSA-N 1 1 326.415 4.149 20 30 EIEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000502639447 1036436909 /nfs/dbraw/zinc/43/69/09/1036436909.db2.gz VINBABHQNHDFHU-UHFFFAOYSA-N 1 1 348.899 4.048 20 30 EIEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000502639447 1036436926 /nfs/dbraw/zinc/43/69/26/1036436926.db2.gz VINBABHQNHDFHU-UHFFFAOYSA-N 1 1 348.899 4.048 20 30 EIEDMO C[C@H](CCC#N)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000602450279 1036451958 /nfs/dbraw/zinc/45/19/58/1036451958.db2.gz WVJBJEZPNZIEGR-CYBMUJFWSA-N 1 1 329.271 4.118 20 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/nfs/dbraw/zinc/68/94/85/1036689485.db2.gz BIVGKDCLFIJKRK-BLLLJJGKSA-N 1 1 344.256 4.121 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[C@H]1C#N ZINC000602979249 1036689501 /nfs/dbraw/zinc/68/95/01/1036689501.db2.gz BIVGKDCLFIJKRK-BLLLJJGKSA-N 1 1 344.256 4.121 20 30 EIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000598586261 1036704288 /nfs/dbraw/zinc/70/42/88/1036704288.db2.gz RMYXSSCKEASSIT-AWEZNQCLSA-N 1 1 341.282 4.259 20 30 EIEDMO CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598589140 1036709778 /nfs/dbraw/zinc/70/97/78/1036709778.db2.gz DPHVHVAYRZNDNJ-LSDHHAIUSA-N 1 1 349.544 4.268 20 30 EIEDMO CC(C)(C)c1csc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598589140 1036709790 /nfs/dbraw/zinc/70/97/90/1036709790.db2.gz DPHVHVAYRZNDNJ-LSDHHAIUSA-N 1 1 349.544 4.268 20 30 EIEDMO Cc1cc(NCc2cc(C#N)cs2)c[nH+]c1N1CCCC[C@H]1C ZINC000502870172 1036756808 /nfs/dbraw/zinc/75/68/08/1036756808.db2.gz KAINCZUPNHJBRX-CQSZACIVSA-N 1 1 326.469 4.314 20 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C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856881 1037054117 /nfs/dbraw/zinc/05/41/17/1037054117.db2.gz ZXWFKLSTSYOMPJ-HNNXBMFYSA-N 1 1 347.890 4.018 20 30 EIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583586 1037086883 /nfs/dbraw/zinc/08/68/83/1037086883.db2.gz SHBLEUPFCVCVAT-SJORKVTESA-N 1 1 334.504 4.150 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)nc1C ZINC001232323479 1037096890 /nfs/dbraw/zinc/09/68/90/1037096890.db2.gz CDWIJFRWELPIJB-UHFFFAOYSA-N 1 1 331.257 4.341 20 30 EIEDMO C=CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000604012598 1037147483 /nfs/dbraw/zinc/14/74/83/1037147483.db2.gz UMCMURLCKWFEGL-UHFFFAOYSA-N 1 1 332.425 4.113 20 30 EIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272509307 1037207239 /nfs/dbraw/zinc/20/72/39/1037207239.db2.gz FUTDAFYYNQKTKL-DLBZAZTESA-N 1 1 349.478 4.031 20 30 EIEDMO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591022973 1037275796 /nfs/dbraw/zinc/27/57/96/1037275796.db2.gz MHQRCPGQDJDENE-SFHVURJKSA-N 1 1 333.479 4.395 20 30 EIEDMO COc1cccc(C[N@H+](Cc2cc(C#N)ccc2F)CC(C)C)c1 ZINC000604494586 1037405603 /nfs/dbraw/zinc/40/56/03/1037405603.db2.gz ANPQVKFUVZPWKH-UHFFFAOYSA-N 1 1 326.415 4.364 20 30 EIEDMO COC(=O)c1cccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000604494805 1037408357 /nfs/dbraw/zinc/40/83/57/1037408357.db2.gz BWLGANCQLWVIJB-UHFFFAOYSA-N 1 1 336.435 4.003 20 30 EIEDMO Cc1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1C#N ZINC000488213646 1037420616 /nfs/dbraw/zinc/42/06/16/1037420616.db2.gz SIXGNKDABCYHKP-UHFFFAOYSA-N 1 1 328.419 4.032 20 30 EIEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704523 1037716121 /nfs/dbraw/zinc/71/61/21/1037716121.db2.gz SHLOECJIGLNMJR-QIJUGHKUSA-N 1 1 348.490 4.298 20 30 EIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccncc1C#N ZINC000592125884 1037737282 /nfs/dbraw/zinc/73/72/82/1037737282.db2.gz NBZZYDUCZMZKRF-UHFFFAOYSA-N 1 1 333.357 4.037 20 30 EIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592145503 1037739006 /nfs/dbraw/zinc/73/90/06/1037739006.db2.gz WOJGKFVHNYOKOQ-OAHLLOKOSA-N 1 1 347.528 4.387 20 30 EIEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000488809462 1037767541 /nfs/dbraw/zinc/76/75/41/1037767541.db2.gz NONUQEZLJRDRMA-KRWDZBQOSA-N 1 1 335.234 4.342 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000605847189 1037860310 /nfs/dbraw/zinc/86/03/10/1037860310.db2.gz IUKIIYQCSDLVSH-GOSISDBHSA-N 1 1 343.515 4.169 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000058580307 1037872233 /nfs/dbraw/zinc/87/22/33/1037872233.db2.gz XGCGJBCGMZFAOE-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000058580307 1037872256 /nfs/dbraw/zinc/87/22/56/1037872256.db2.gz XGCGJBCGMZFAOE-UHFFFAOYSA-N 1 1 343.833 4.063 20 30 EIEDMO C=CCCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000605850035 1037872864 /nfs/dbraw/zinc/87/28/64/1037872864.db2.gz UKXYWCJXUMYYPM-GOSISDBHSA-N 1 1 343.515 4.026 20 30 EIEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 ZINC000592987356 1037896335 /nfs/dbraw/zinc/89/63/35/1037896335.db2.gz YVJGZIGXSGWNQE-FXAWDEMLSA-N 1 1 334.463 4.012 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(Cl)c1 ZINC000593058383 1037916606 /nfs/dbraw/zinc/91/66/06/1037916606.db2.gz KYJXNZIBWIGFMK-UHFFFAOYSA-N 1 1 332.728 4.078 20 30 EIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2C1 ZINC000593970793 1038034248 /nfs/dbraw/zinc/03/42/48/1038034248.db2.gz YUYMXUROQWJLMJ-INIZCTEOSA-N 1 1 347.462 4.101 20 30 EIEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2C1 ZINC000593970793 1038034269 /nfs/dbraw/zinc/03/42/69/1038034269.db2.gz YUYMXUROQWJLMJ-INIZCTEOSA-N 1 1 347.462 4.101 20 30 EIEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744458 1038070165 /nfs/dbraw/zinc/07/01/65/1038070165.db2.gz IHDRGXTVRATQQA-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744458 1038070196 /nfs/dbraw/zinc/07/01/96/1038070196.db2.gz IHDRGXTVRATQQA-LJQANCHMSA-N 1 1 344.418 4.118 20 30 EIEDMO C[N@@H+](Cc1ccccc1NC(=O)CCCCC#N)C1CCCCC1 ZINC000593950444 1038227586 /nfs/dbraw/zinc/22/75/86/1038227586.db2.gz CIGFQZDDDLYZEZ-UHFFFAOYSA-N 1 1 327.472 4.474 20 30 EIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(-c4ccco4)n3)CCC2)cc1 ZINC000594032931 1038242675 /nfs/dbraw/zinc/24/26/75/1038242675.db2.gz RGDGIFGVMQQSPE-UHFFFAOYSA-N 1 1 335.432 4.444 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000490065736 1038330319 /nfs/dbraw/zinc/33/03/19/1038330319.db2.gz KWAJVYMCNHHKHJ-KRWDZBQOSA-N 1 1 332.806 4.170 20 30 EIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000490065736 1038330335 /nfs/dbraw/zinc/33/03/35/1038330335.db2.gz KWAJVYMCNHHKHJ-KRWDZBQOSA-N 1 1 332.806 4.170 20 30 EIEDMO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccn1-c1ccccc1 ZINC000594956347 1038533388 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N#CCc1cccc2c1CC[N@@H+](Cc1cnc(-c3ccco3)s1)C2 ZINC000600212446 1039375777 /nfs/dbraw/zinc/37/57/77/1039375777.db2.gz DABKZTHHFXLOQG-UHFFFAOYSA-N 1 1 335.432 4.027 20 30 EIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092485440 1039550710 /nfs/dbraw/zinc/55/07/10/1039550710.db2.gz JLRCURYZBDVAFZ-XLIONFOSSA-N 1 1 334.467 4.228 20 30 EIEDMO Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc(F)c1F ZINC001143610630 1039561205 /nfs/dbraw/zinc/56/12/05/1039561205.db2.gz AJCDGJWVDMHDSP-GOSISDBHSA-N 1 1 342.389 4.188 20 30 EIEDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000092796193 1039596444 /nfs/dbraw/zinc/59/64/44/1039596444.db2.gz OSAGFXNBXJRABF-QGZVFWFLSA-N 1 1 349.478 4.127 20 30 EIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481602322 1039626640 /nfs/dbraw/zinc/62/66/40/1039626640.db2.gz FXBXCUPZMINYHO-FZKQIMNGSA-N 1 1 336.426 4.009 20 30 EIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445090 1039693834 /nfs/dbraw/zinc/69/38/34/1039693834.db2.gz XNDYDZYNIZBLKK-NRFANRHFSA-N 1 1 335.451 4.410 20 30 EIEDMO N#CCCn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093441838 1039695956 /nfs/dbraw/zinc/69/59/56/1039695956.db2.gz OLUWSPJIPINSPP-KDURUIRLSA-N 1 1 334.467 4.086 20 30 EIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000534729806 1039741320 /nfs/dbraw/zinc/74/13/20/1039741320.db2.gz VCSUKOKEZPVAJZ-CTNGQTDRSA-N 1 1 341.499 4.001 20 30 EIEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000093845668 1039761437 /nfs/dbraw/zinc/76/14/37/1039761437.db2.gz JJUXUIMKGIYCSL-UHFFFAOYSA-N 1 1 337.467 4.067 20 30 EIEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000434667640 1039801084 /nfs/dbraw/zinc/80/10/84/1039801084.db2.gz YAZXQSPZVQSCPN-UHFFFAOYSA-N 1 1 339.302 4.038 20 30 EIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3CCCc3ccccc3)n2c1 ZINC000537646886 1039802416 /nfs/dbraw/zinc/80/24/16/1039802416.db2.gz BQSRLZPGWLPHRJ-HXUWFJFHSA-N 1 1 344.462 4.193 20 30 EIEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@H]1C2(F)F ZINC000430096809 1039840872 /nfs/dbraw/zinc/84/08/72/1039840872.db2.gz QAGOUKWOCACKPJ-KGLIPLIRSA-N 1 1 330.300 4.054 20 30 EIEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@H]1C2(F)F ZINC000430096809 1039840876 /nfs/dbraw/zinc/84/08/76/1039840876.db2.gz QAGOUKWOCACKPJ-KGLIPLIRSA-N 1 1 330.300 4.054 20 30 EIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281923377 1039887708 /nfs/dbraw/zinc/88/77/08/1039887708.db2.gz HIXILQNMDQOUEE-MRXNPFEDSA-N 1 1 334.891 4.303 20 30 EIEDMO COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1OCCCC#N ZINC000434983017 1039963485 /nfs/dbraw/zinc/96/34/85/1039963485.db2.gz OSMCFYWKRIPQBX-IBGZPJMESA-N 1 1 336.435 4.325 20 30 EIEDMO COc1cccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000478950148 1040031054 /nfs/dbraw/zinc/03/10/54/1040031054.db2.gz HTBCIPVMJGIMJW-UHFFFAOYSA-N 1 1 333.353 4.198 20 30 EIEDMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780821 1040198488 /nfs/dbraw/zinc/19/84/88/1040198488.db2.gz CZSUWDXXQTWVCX-ROUUACIJSA-N 1 1 341.842 4.211 20 30 EIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc(OC)c1O ZINC000482512684 1040318151 /nfs/dbraw/zinc/31/81/51/1040318151.db2.gz WCAMXAJQZQKVNH-DOMZBBRYSA-N 1 1 343.389 4.292 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000425368368 1040350278 /nfs/dbraw/zinc/35/02/78/1040350278.db2.gz WIGCWXWKZYBAOQ-CYBMUJFWSA-N 1 1 338.842 4.291 20 30 EIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000425368368 1040350300 /nfs/dbraw/zinc/35/03/00/1040350300.db2.gz WIGCWXWKZYBAOQ-CYBMUJFWSA-N 1 1 338.842 4.291 20 30 EIEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650799 1040413701 /nfs/dbraw/zinc/41/37/01/1040413701.db2.gz ZVLJPFWEFUKLFN-FQEVSTJZSA-N 1 1 328.500 4.147 20 30 EIEDMO CC#CCC[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000462324086 1040489008 /nfs/dbraw/zinc/48/90/08/1040489008.db2.gz KHLSIKBBDJLOTL-UHFFFAOYSA-N 1 1 327.255 4.057 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1OCCCC#N ZINC000160469863 1040537793 /nfs/dbraw/zinc/53/77/93/1040537793.db2.gz YGXBLJINAOUGLB-UHFFFAOYSA-N 1 1 342.414 4.149 20 30 EIEDMO COc1ccc(C[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1C ZINC000160505237 1040568421 /nfs/dbraw/zinc/56/84/21/1040568421.db2.gz OORIGTTYHMRHPR-UHFFFAOYSA-N 1 1 347.418 4.162 20 30 EIEDMO COc1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1C ZINC000160505237 1040568442 /nfs/dbraw/zinc/56/84/42/1040568442.db2.gz OORIGTTYHMRHPR-UHFFFAOYSA-N 1 1 347.418 4.162 20 30 EIEDMO CCc1ccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000282082734 1040581132 /nfs/dbraw/zinc/58/11/32/1040581132.db2.gz URVFNRNGIAEWGT-UHFFFAOYSA-N 1 1 338.495 4.439 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000160585014 1040616039 /nfs/dbraw/zinc/61/60/39/1040616039.db2.gz PAUANSQMEOMNML-IBGZPJMESA-N 1 1 340.398 4.052 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000160585014 1040616042 /nfs/dbraw/zinc/61/60/42/1040616042.db2.gz PAUANSQMEOMNML-IBGZPJMESA-N 1 1 340.398 4.052 20 30 EIEDMO CC1CCC([N@@H+](CCCCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000477626820 1040652989 /nfs/dbraw/zinc/65/29/89/1040652989.db2.gz MRZSYOWKOMCERB-UHFFFAOYSA-N 1 1 328.456 4.490 20 30 EIEDMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689232 1040701792 /nfs/dbraw/zinc/70/17/92/1040701792.db2.gz NGYUXZLHKGRICK-FGTMMUONSA-N 1 1 349.478 4.341 20 30 EIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000667029838 1040733393 /nfs/dbraw/zinc/73/33/93/1040733393.db2.gz LPXNZUNVXFLXPK-SFHVURJKSA-N 1 1 341.499 4.049 20 30 EIEDMO CCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1Br ZINC000483179252 1040745483 /nfs/dbraw/zinc/74/54/83/1040745483.db2.gz IHLUJURLRMPZON-UHFFFAOYSA-N 1 1 346.272 4.071 20 30 EIEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1Br ZINC000483179252 1040745519 /nfs/dbraw/zinc/74/55/19/1040745519.db2.gz IHLUJURLRMPZON-UHFFFAOYSA-N 1 1 346.272 4.071 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)cc1 ZINC000037996320 1040749409 /nfs/dbraw/zinc/74/94/09/1040749409.db2.gz IRIPZWBICCTAGV-NSHDSACASA-N 1 1 333.204 4.311 20 30 EIEDMO C=CCC1(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CCC1 ZINC000479864884 1040751218 /nfs/dbraw/zinc/75/12/18/1040751218.db2.gz JRZLNONDIWPRPW-QGZVFWFLSA-N 1 1 342.483 4.092 20 30 EIEDMO C=CCOc1c(Br)cc(C[NH+]2CCCCC2)cc1OC ZINC000537719539 1040783053 /nfs/dbraw/zinc/78/30/53/1040783053.db2.gz BJFMASCHCUGJOX-UHFFFAOYSA-N 1 1 340.261 4.008 20 30 EIEDMO CCn1c2ccccc2nc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000537721331 1040786078 /nfs/dbraw/zinc/78/60/78/1040786078.db2.gz APFOHJRARMMBGF-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO CCn1c2ccccc2nc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000537721331 1040786099 /nfs/dbraw/zinc/78/60/99/1040786099.db2.gz APFOHJRARMMBGF-UHFFFAOYSA-N 1 1 342.446 4.217 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000483262482 1040799918 /nfs/dbraw/zinc/79/99/18/1040799918.db2.gz AWUBLVPMCHHURB-LEWJYISDSA-N 1 1 348.494 4.198 20 30 EIEDMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000483262482 1040799944 /nfs/dbraw/zinc/79/99/44/1040799944.db2.gz AWUBLVPMCHHURB-LEWJYISDSA-N 1 1 348.494 4.198 20 30 EIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000539814744 1040807661 /nfs/dbraw/zinc/80/76/61/1040807661.db2.gz RRHXTTRRJMZOCA-UHFFFAOYSA-N 1 1 344.462 4.289 20 30 EIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000539850581 1040840230 /nfs/dbraw/zinc/84/02/30/1040840230.db2.gz XQGDTCANGMSBJM-DNVCBOLYSA-N 1 1 329.465 4.275 20 30 EIEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000539850581 1040840232 /nfs/dbraw/zinc/84/02/32/1040840232.db2.gz XQGDTCANGMSBJM-DNVCBOLYSA-N 1 1 329.465 4.275 20 30 EIEDMO CC[N@@H+](CCC1CCN(c2cccc(F)c2C#N)CC1)CC1CC1 ZINC000537824197 1040841025 /nfs/dbraw/zinc/84/10/25/1040841025.db2.gz ZTKSYBMOYKRAET-UHFFFAOYSA-N 1 1 329.463 4.036 20 30 EIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000483703942 1040967292 /nfs/dbraw/zinc/96/72/92/1040967292.db2.gz YOSMZYSEUHWRGB-AZUAARDMSA-N 1 1 342.389 4.189 20 30 EIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000483967051 1041076467 /nfs/dbraw/zinc/07/64/67/1041076467.db2.gz PZFGLKZRCPQFDO-SFHVURJKSA-N 1 1 336.504 4.253 20 30 EIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC#Cc4ccccc4)CC3)c2c1 ZINC000483987123 1041084544 /nfs/dbraw/zinc/08/45/44/1041084544.db2.gz SHPPMEYMLHUAEJ-UHFFFAOYSA-N 1 1 342.442 4.317 20 30 EIEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963597 1041086607 /nfs/dbraw/zinc/08/66/07/1041086607.db2.gz YSGJLJRCCAEDOL-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963597 1041086629 /nfs/dbraw/zinc/08/66/29/1041086629.db2.gz YSGJLJRCCAEDOL-KRWDZBQOSA-N 1 1 343.490 4.174 20 30 EIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000538148583 1041113979 /nfs/dbraw/zinc/11/39/79/1041113979.db2.gz WJDCHMRVZJRZBL-OAHLLOKOSA-N 1 1 326.415 4.159 20 30 EIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000484096198 1041114585 /nfs/dbraw/zinc/11/45/85/1041114585.db2.gz SRAGEAIMPYGIGH-FQEVSTJZSA-N 1 1 348.494 4.084 20 30 EIEDMO C(#Cc1ccccc1)CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000484096198 1041114610 /nfs/dbraw/zinc/11/46/10/1041114610.db2.gz SRAGEAIMPYGIGH-FQEVSTJZSA-N 1 1 348.494 4.084 20 30 EIEDMO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1C(F)(F)F ZINC000484355411 1041224128 /nfs/dbraw/zinc/22/41/28/1041224128.db2.gz AFWVBILLVWTVCZ-MRXNPFEDSA-N 1 1 335.373 4.221 20 30 EIEDMO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1C(F)(F)F ZINC000484355411 1041224142 /nfs/dbraw/zinc/22/41/42/1041224142.db2.gz AFWVBILLVWTVCZ-MRXNPFEDSA-N 1 1 335.373 4.221 20 30 EIEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000538289105 1041224810 /nfs/dbraw/zinc/22/48/10/1041224810.db2.gz CPPSLXKJZVOHBI-LZLYRXPVSA-N 1 1 349.544 4.175 20 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/nfs/dbraw/zinc/35/10/16/1041351016.db2.gz NAUPBAFQZJJYGW-JOCHJYFZSA-N 1 1 347.462 4.083 20 30 EIEDMO N#Cc1ccc(Nc2c[nH+]c3ccc(Br)cn23)c(Cl)c1 ZINC001213991646 1041384941 /nfs/dbraw/zinc/38/49/41/1041384941.db2.gz MJLYOGAMMZRVTN-UHFFFAOYSA-N 1 1 347.603 4.365 20 30 EIEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1C#N ZINC000463209494 1041422144 /nfs/dbraw/zinc/42/21/44/1041422144.db2.gz JOCNQOBLXKHKMW-KQLYMOGASA-N 1 1 326.484 4.018 20 30 EIEDMO CC(C)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000463231303 1041438647 /nfs/dbraw/zinc/43/86/47/1041438647.db2.gz WRKHDYRYSIGLGS-JOCHJYFZSA-N 1 1 348.490 4.386 20 30 EIEDMO CC(C)(C#N)CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554844422 1041442329 /nfs/dbraw/zinc/44/23/29/1041442329.db2.gz WQVJRDXEBFWADY-FCHUYYIVSA-N 1 1 347.506 4.184 20 30 EIEDMO CC(C)(C#N)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554844422 1041442334 /nfs/dbraw/zinc/44/23/34/1041442334.db2.gz WQVJRDXEBFWADY-FCHUYYIVSA-N 1 1 347.506 4.184 20 30 EIEDMO CCc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000540459371 1041479368 /nfs/dbraw/zinc/47/93/68/1041479368.db2.gz YRNDPVMEWHDDFE-UHFFFAOYSA-N 1 1 346.434 4.196 20 30 EIEDMO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)c(F)c1 ZINC000480683898 1041479365 /nfs/dbraw/zinc/47/93/65/1041479365.db2.gz SIXJEATWYVKBLP-NSHDSACASA-N 1 1 342.805 4.088 20 30 EIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463433187 1041567581 /nfs/dbraw/zinc/56/75/81/1041567581.db2.gz BCKQWQMLXTXGAM-CABCVRRESA-N 1 1 326.362 4.120 20 30 EIEDMO CC1([N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccc(C#N)cn2)CCCC1 ZINC000516660129 1041688069 /nfs/dbraw/zinc/68/80/69/1041688069.db2.gz MBKBHFMYUDSWPJ-UHFFFAOYSA-N 1 1 349.434 4.017 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(COCC)c1 ZINC000506005599 1041718670 /nfs/dbraw/zinc/71/86/70/1041718670.db2.gz ZZZYPMDJKLOULX-UHFFFAOYSA-N 1 1 331.481 4.481 20 30 EIEDMO N#CCC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000540995640 1041764627 /nfs/dbraw/zinc/76/46/27/1041764627.db2.gz WPLNYQJXKZEZTL-UHFFFAOYSA-N 1 1 327.653 4.228 20 30 EIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)(F)CC1 ZINC000516918629 1041810369 /nfs/dbraw/zinc/81/03/69/1041810369.db2.gz RSHOGHLECFIGSO-UHFFFAOYSA-N 1 1 347.327 4.446 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437576341 1041844848 /nfs/dbraw/zinc/84/48/48/1041844848.db2.gz CCMOPDNVRPBDJC-APWZRJJASA-N 1 1 340.492 4.098 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437576341 1041844849 /nfs/dbraw/zinc/84/48/49/1041844849.db2.gz CCMOPDNVRPBDJC-APWZRJJASA-N 1 1 340.492 4.098 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)c1 ZINC000437588576 1041852603 /nfs/dbraw/zinc/85/26/03/1041852603.db2.gz JIEDSKBEPQCHSI-UHFFFAOYSA-N 1 1 349.409 4.222 20 30 EIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282752 1041882790 /nfs/dbraw/zinc/88/27/90/1041882790.db2.gz TUMQPWHMGOVRFR-FQEVSTJZSA-N 1 1 336.435 4.107 20 30 EIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000541576668 1042023929 /nfs/dbraw/zinc/02/39/29/1042023929.db2.gz PRWYTNFMXOGJBG-YADHBBJMSA-N 1 1 334.463 4.365 20 30 EIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000438128283 1042058233 /nfs/dbraw/zinc/05/82/33/1042058233.db2.gz OCSIQYNPYZMSPH-VJBWXMMDSA-N 1 1 346.474 4.442 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000464656886 1042109145 /nfs/dbraw/zinc/10/91/45/1042109145.db2.gz QGXLSBCSZHHZDI-ROUUACIJSA-N 1 1 328.500 4.137 20 30 EIEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000464832115 1042189576 /nfs/dbraw/zinc/18/95/76/1042189576.db2.gz BODGAHHUUVBKFY-CQSZACIVSA-N 1 1 327.209 4.004 20 30 EIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000464832115 1042189579 /nfs/dbraw/zinc/18/95/79/1042189579.db2.gz BODGAHHUUVBKFY-CQSZACIVSA-N 1 1 327.209 4.004 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)cc1 ZINC000090250729 1042292217 /nfs/dbraw/zinc/29/22/17/1042292217.db2.gz PIRYWBXVDMQICG-UHFFFAOYSA-N 1 1 335.632 4.264 20 30 EIEDMO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000108421333 1042411713 /nfs/dbraw/zinc/41/17/13/1042411713.db2.gz DXEODNPEKCPPGL-QFIPXVFZSA-N 1 1 328.415 4.446 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491357331 1042432380 /nfs/dbraw/zinc/43/23/80/1042432380.db2.gz YFLTYJFEIIQAMW-NRFANRHFSA-N 1 1 341.451 4.068 20 30 EIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000491378217 1042437549 /nfs/dbraw/zinc/43/75/49/1042437549.db2.gz CDJLGGFLSRMWQD-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000491378217 1042437555 /nfs/dbraw/zinc/43/75/55/1042437555.db2.gz CDJLGGFLSRMWQD-UHFFFAOYSA-N 1 1 338.407 4.174 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000439010339 1042458471 /nfs/dbraw/zinc/45/84/71/1042458471.db2.gz NFSMVIFGPASCBZ-CEWLAPEOSA-N 1 1 340.511 4.393 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000439010342 1042459076 /nfs/dbraw/zinc/45/90/76/1042459076.db2.gz NFSMVIFGPASCBZ-TYPHKJRUSA-N 1 1 340.511 4.393 20 30 EIEDMO C#C[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491535470 1042463940 /nfs/dbraw/zinc/46/39/40/1042463940.db2.gz BZNUOACCBDEFPL-INIZCTEOSA-N 1 1 344.808 4.021 20 30 EIEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000271931781 1042523575 /nfs/dbraw/zinc/52/35/75/1042523575.db2.gz ILODCUWNPDAJCQ-VOJFVSQTSA-N 1 1 334.341 4.014 20 30 EIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000518595861 1042582553 /nfs/dbraw/zinc/58/25/53/1042582553.db2.gz ABLUOUVCLKDVII-RBBKRZOGSA-N 1 1 349.478 4.031 20 30 EIEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccccc2F)cc(OC)c1O ZINC000506552657 1042593393 /nfs/dbraw/zinc/59/33/93/1042593393.db2.gz MHPBSWZNOTZYFE-CQSZACIVSA-N 1 1 329.415 4.461 20 30 EIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(OCC(F)F)cc2)C2CC2)cc1 ZINC000506557334 1042601409 /nfs/dbraw/zinc/60/14/09/1042601409.db2.gz XJTBCMGKOKAWLA-UHFFFAOYSA-N 1 1 342.389 4.367 20 30 EIEDMO C=CC(C)(C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000929772685 1042685135 /nfs/dbraw/zinc/68/51/35/1042685135.db2.gz RSRKWMSTMVFDCI-UHFFFAOYSA-N 1 1 326.444 4.141 20 30 EIEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000426437348 1042701199 /nfs/dbraw/zinc/70/11/99/1042701199.db2.gz WPIDVRNLRNEKKS-HXUWFJFHSA-N 1 1 339.866 4.230 20 30 EIEDMO Cc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)ccc1C#N ZINC000443966265 1042705521 /nfs/dbraw/zinc/70/55/21/1042705521.db2.gz SINFIEGNXIOQOZ-UHFFFAOYSA-N 1 1 327.840 4.420 20 30 EIEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848082 1042852213 /nfs/dbraw/zinc/85/22/13/1042852213.db2.gz UUKCEJVYXSELCT-HOTGVXAUSA-N 1 1 347.528 4.387 20 30 EIEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852033 1042852566 /nfs/dbraw/zinc/85/25/66/1042852566.db2.gz BQOBZOZFKZJPKZ-CVEARBPZSA-N 1 1 347.528 4.245 20 30 EIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555055 1043048911 /nfs/dbraw/zinc/04/89/11/1043048911.db2.gz LDCZLCMDGDOVGP-GXFFZTMASA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555055 1043048922 /nfs/dbraw/zinc/04/89/22/1043048922.db2.gz LDCZLCMDGDOVGP-GXFFZTMASA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555054 1043049571 /nfs/dbraw/zinc/04/95/71/1043049571.db2.gz LDCZLCMDGDOVGP-GWCFXTLKSA-N 1 1 348.315 4.322 20 30 EIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000611555054 1043049578 /nfs/dbraw/zinc/04/95/78/1043049578.db2.gz LDCZLCMDGDOVGP-GWCFXTLKSA-N 1 1 348.315 4.322 20 30 EIEDMO C=CCOc1ccc(C[NH2+]Cc2cscc2Br)cc1 ZINC000512541226 1043088903 /nfs/dbraw/zinc/08/89/03/1043088903.db2.gz DDHMWZMQIBFIKZ-UHFFFAOYSA-N 1 1 338.270 4.365 20 30 EIEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)ccc1F ZINC000064350131 1043099102 /nfs/dbraw/zinc/09/91/02/1043099102.db2.gz UPQMNGPGQZTULU-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)ccc1F ZINC000064350131 1043099111 /nfs/dbraw/zinc/09/91/11/1043099111.db2.gz UPQMNGPGQZTULU-UHFFFAOYSA-N 1 1 327.359 4.016 20 30 EIEDMO N#Cc1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)c(F)c1 ZINC000132052716 1043103795 /nfs/dbraw/zinc/10/37/95/1043103795.db2.gz VTZLAYDDILVDLR-UHFFFAOYSA-N 1 1 342.389 4.018 20 30 EIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000487403158 1043169950 /nfs/dbraw/zinc/16/99/50/1043169950.db2.gz VNQBYCZIHNUZOI-OAQYLSRUSA-N 1 1 334.463 4.234 20 30 EIEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185878980 1043228718 /nfs/dbraw/zinc/22/87/18/1043228718.db2.gz OCDPIWFCCXTALR-CEWLAPEOSA-N 1 1 340.511 4.102 20 30 EIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554318 1043264924 /nfs/dbraw/zinc/26/49/24/1043264924.db2.gz UEQIVLCAENJJFN-ROUUACIJSA-N 1 1 336.520 4.003 20 30 EIEDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000133613182 1043281581 /nfs/dbraw/zinc/28/15/81/1043281581.db2.gz ZTNIUYFCYRNBAV-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000133613182 1043281590 /nfs/dbraw/zinc/28/15/90/1043281590.db2.gz ZTNIUYFCYRNBAV-QGZVFWFLSA-N 1 1 339.464 4.012 20 30 EIEDMO CCC1(CC)CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000186547117 1043290650 /nfs/dbraw/zinc/29/06/50/1043290650.db2.gz CNIZZEGYJIFXIO-UHFFFAOYSA-N 1 1 345.512 4.143 20 30 EIEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428034654 1043298458 /nfs/dbraw/zinc/29/84/58/1043298458.db2.gz OFOHEBHPSYWXJZ-ZWKOTPCHSA-N 1 1 341.499 4.060 20 30 EIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2c(C)cccn12)c1ccc(F)c(F)c1 ZINC000187374736 1043345922 /nfs/dbraw/zinc/34/59/22/1043345922.db2.gz QTIHXMILVQOQFP-SFHVURJKSA-N 1 1 327.378 4.328 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000625704615 1043359661 /nfs/dbraw/zinc/35/96/61/1043359661.db2.gz YYTYAPOBESGJLD-MRXNPFEDSA-N 1 1 341.480 4.226 20 30 EIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000625704615 1043359676 /nfs/dbraw/zinc/35/96/76/1043359676.db2.gz YYTYAPOBESGJLD-MRXNPFEDSA-N 1 1 341.480 4.226 20 30 EIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(F)c1C#N ZINC000428214794 1043382203 /nfs/dbraw/zinc/38/22/03/1043382203.db2.gz GBWKXLKIEBPYDG-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(F)c1C#N ZINC000428214794 1043382208 /nfs/dbraw/zinc/38/22/08/1043382208.db2.gz GBWKXLKIEBPYDG-UHFFFAOYSA-N 1 1 349.409 4.417 20 30 EIEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000438840179 1043389218 /nfs/dbraw/zinc/38/92/18/1043389218.db2.gz HQKDCVTWTFTZQB-UHFFFAOYSA-N 1 1 347.462 4.189 20 30 EIEDMO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000521253904 1043676618 /nfs/dbraw/zinc/67/66/18/1043676618.db2.gz HEHBQMTWLHDSLW-XIKOKIGWSA-N 1 1 341.798 4.145 20 30 EIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000172037470 1043702508 /nfs/dbraw/zinc/70/25/08/1043702508.db2.gz WTCHXXCCWVDDHU-UHFFFAOYSA-N 1 1 328.431 4.134 20 30 EIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000731211741 1043715557 /nfs/dbraw/zinc/71/55/57/1043715557.db2.gz YTZSIGKZLLISMJ-IBGZPJMESA-N 1 1 345.446 4.450 20 30 EIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521717943 1043921335 /nfs/dbraw/zinc/92/13/35/1043921335.db2.gz AQTKBBCZHSGOAF-UHFFFAOYSA-N 1 1 340.810 4.129 20 30 EIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521717943 1043921347 /nfs/dbraw/zinc/92/13/47/1043921347.db2.gz AQTKBBCZHSGOAF-UHFFFAOYSA-N 1 1 340.810 4.129 20 30 EIEDMO C=CCc1cc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc(OC)c1O ZINC000675102948 1044019773 /nfs/dbraw/zinc/01/97/73/1044019773.db2.gz BPCFWNBOAQNJBF-MRXNPFEDSA-N 1 1 345.826 4.006 20 30 EIEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c(C#N)c1 ZINC000229747601 1044044148 /nfs/dbraw/zinc/04/41/48/1044044148.db2.gz WOAKXFPIGJWVKM-UHFFFAOYSA-N 1 1 333.204 4.092 20 30 EIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000067976760 1044086684 /nfs/dbraw/zinc/08/66/84/1044086684.db2.gz DQMYGVDNHUEGRO-FQEVSTJZSA-N 1 1 333.435 4.032 20 30 EIEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000479407431 1044257614 /nfs/dbraw/zinc/25/76/14/1044257614.db2.gz FMOIMWQFMANASJ-OAHLLOKOSA-N 1 1 345.315 4.131 20 30 EIEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000174452585 1044273670 /nfs/dbraw/zinc/27/36/70/1044273670.db2.gz ICGZKWUEZSSLBS-UHFFFAOYSA-N 1 1 345.446 4.073 20 30 EIEDMO C=CCOc1ccc(C[N@H+](CCOCC(F)F)C(C)(C)C)cc1 ZINC001168017268 1044298261 /nfs/dbraw/zinc/29/82/61/1044298261.db2.gz HBDOZXVDKKOEEB-UHFFFAOYSA-N 1 1 327.415 4.134 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)n1 ZINC000766137341 1044315442 /nfs/dbraw/zinc/31/54/42/1044315442.db2.gz SUGSPUZMQOYFTH-GOSISDBHSA-N 1 1 341.842 4.283 20 30 EIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)n1 ZINC000766137341 1044315449 /nfs/dbraw/zinc/31/54/49/1044315449.db2.gz SUGSPUZMQOYFTH-GOSISDBHSA-N 1 1 341.842 4.283 20 30 EIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929835221 1044417091 /nfs/dbraw/zinc/41/70/91/1044417091.db2.gz QOCJCAAYRAYFGQ-KRWDZBQOSA-N 1 1 334.504 4.294 20 30 EIEDMO CC(C)(C/N=C/c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914558309 1044481024 /nfs/dbraw/zinc/48/10/24/1044481024.db2.gz SOJGWCWDJKZDKP-WSDLNYQXSA-N 1 1 342.870 4.301 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3csc4ccccc34)CCO2)c1 ZINC000761765844 1044490638 /nfs/dbraw/zinc/49/06/38/1044490638.db2.gz ONSZSWBESKWLAY-LJQANCHMSA-N 1 1 334.444 4.346 20 30 EIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3csc4ccccc34)CCO2)c1 ZINC000761765844 1044490642 /nfs/dbraw/zinc/49/06/42/1044490642.db2.gz ONSZSWBESKWLAY-LJQANCHMSA-N 1 1 334.444 4.346 20 30 EIEDMO Cc1[nH+]c(C=NN=C2c3ccccc3-c3ccccc32)c2ccccn12 ZINC000914599813 1044565020 /nfs/dbraw/zinc/56/50/20/1044565020.db2.gz MIKLSJPRUCOCMG-UHFFFAOYSA-N 1 1 336.398 4.495 20 30 EIEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477761 1044589029 /nfs/dbraw/zinc/58/90/29/1044589029.db2.gz SQBKGIVHHPSZRU-UTKZUKDTSA-N 1 1 342.446 4.257 20 30 EIEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000428865693 1044769623 /nfs/dbraw/zinc/76/96/23/1044769623.db2.gz WZUKUEYBAXFYAY-HNNXBMFYSA-N 1 1 341.480 4.420 20 30 EIEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735305655 1044785685 /nfs/dbraw/zinc/78/56/85/1044785685.db2.gz BEFDWSCLNMMDCK-UHFFFAOYSA-N 1 1 332.856 4.492 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735305655 1044785707 /nfs/dbraw/zinc/78/57/07/1044785707.db2.gz BEFDWSCLNMMDCK-UHFFFAOYSA-N 1 1 332.856 4.492 20 30 EIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000676563926 1044796661 /nfs/dbraw/zinc/79/66/61/1044796661.db2.gz SVDOAUUSOCXZSR-OAHLLOKOSA-N 1 1 335.325 4.019 20 30 EIEDMO 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1 335.492 4.015 20 30 EIEDMO CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CCCC#N ZINC001172503341 1049923865 /nfs/dbraw/zinc/92/38/65/1049923865.db2.gz FMXMLAXIECFQGX-DLBZAZTESA-N 1 1 337.508 4.038 20 30 EIEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C1CCC2(CCCC2)CC1 ZINC001172728421 1049968088 /nfs/dbraw/zinc/96/80/88/1049968088.db2.gz CQSXCTRKWARBBO-IBGZPJMESA-N 1 1 343.515 4.025 20 30 EIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248119514 1050043052 /nfs/dbraw/zinc/04/30/52/1050043052.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248119514 1050043059 /nfs/dbraw/zinc/04/30/59/1050043059.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248119514 1050043073 /nfs/dbraw/zinc/04/30/73/1050043073.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248119514 1050043079 /nfs/dbraw/zinc/04/30/79/1050043079.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 1 1 339.527 4.303 20 30 EIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)nc1 ZINC000780556398 1050078721 /nfs/dbraw/zinc/07/87/21/1050078721.db2.gz YDJAHSNQSDTYFL-UHFFFAOYSA-N 1 1 346.415 4.113 20 30 EIEDMO C[C@H](C[N@H+](C)C[C@@H](C#N)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000249504250 1050099684 /nfs/dbraw/zinc/09/96/84/1050099684.db2.gz YAMGYNZIYLGCOD-CHWSQXEVSA-N 1 1 340.254 4.136 20 30 EIEDMO C[C@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000249504250 1050099689 /nfs/dbraw/zinc/09/96/89/1050099689.db2.gz YAMGYNZIYLGCOD-CHWSQXEVSA-N 1 1 340.254 4.136 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)c(O)c1 ZINC001236699016 1050108259 /nfs/dbraw/zinc/10/82/59/1050108259.db2.gz PYPCSDKIPCKQQZ-UHFFFAOYSA-N 1 1 332.241 4.343 20 30 EIEDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c(Br)c1 ZINC000181471909 1050141256 /nfs/dbraw/zinc/14/12/56/1050141256.db2.gz QUWRCRRLPGALTA-GFCCVEGCSA-N 1 1 345.240 4.180 20 30 EIEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc2cc(F)ccc2o1)C(C)C ZINC001177225521 1050169025 /nfs/dbraw/zinc/16/90/25/1050169025.db2.gz FXSQUQLWARWNAE-LJQANCHMSA-N 1 1 330.447 4.360 20 30 EIEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172864149 1050201372 /nfs/dbraw/zinc/20/13/72/1050201372.db2.gz OOWHSDCTERUKAJ-ZDUSSCGKSA-N 1 1 328.818 4.340 20 30 EIEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172864147 1050201508 /nfs/dbraw/zinc/20/15/08/1050201508.db2.gz OMGZAALVEFSUKD-ZDUSSCGKSA-N 1 1 328.818 4.340 20 30 EIEDMO Cc1c(Cl)cnc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC001186010314 1050210858 /nfs/dbraw/zinc/21/08/58/1050210858.db2.gz XAVAEMBDUJMUTP-UHFFFAOYSA-N 1 1 342.874 4.238 20 30 EIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000181643816 1050279835 /nfs/dbraw/zinc/27/98/35/1050279835.db2.gz UVVFXBVNNLMKMI-IBGZPJMESA-N 1 1 330.378 4.332 20 30 EIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000763498937 1050314691 /nfs/dbraw/zinc/31/46/91/1050314691.db2.gz FZXZZINJZYNNJP-YADHBBJMSA-N 1 1 332.447 4.134 20 30 EIEDMO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(OCC#N)cc1 ZINC000182001388 1050413384 /nfs/dbraw/zinc/41/33/84/1050413384.db2.gz CPULXWFAFSJSLM-ZDUSSCGKSA-N 1 1 339.420 4.156 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001173323147 1050415094 /nfs/dbraw/zinc/41/50/94/1050415094.db2.gz QOWBBGBXUQXOMA-HDYDNRTBSA-N 1 1 329.484 4.388 20 30 EIEDMO N#CCCc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001178220788 1050415584 /nfs/dbraw/zinc/41/55/84/1050415584.db2.gz WOQIPHXBWXVBIQ-NRFANRHFSA-N 1 1 347.462 4.136 20 30 EIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001173320650 1050415566 /nfs/dbraw/zinc/41/55/66/1050415566.db2.gz QMZUGRQSINOHEH-CTWPCTMYSA-N 1 1 345.483 4.052 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326668 1050417226 /nfs/dbraw/zinc/41/72/26/1050417226.db2.gz MJJUHRDIMKIFTI-XVAXZDLZSA-N 1 1 329.484 4.056 20 30 EIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001173326133 1050418259 /nfs/dbraw/zinc/41/82/59/1050418259.db2.gz VSKJPTNBEBOPSN-MHJFOBGBSA-N 1 1 343.467 4.124 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC001203646010 1050419313 /nfs/dbraw/zinc/41/93/13/1050419313.db2.gz YIQYIUGASCSSPQ-UHFFFAOYSA-N 1 1 332.241 4.343 20 30 EIEDMO COc1ccccc1O[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173338577 1050428217 /nfs/dbraw/zinc/42/82/17/1050428217.db2.gz FWQZKIZQKPXGMK-DAWZGUTISA-N 1 1 328.456 4.011 20 30 EIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345606 1050435092 /nfs/dbraw/zinc/43/50/92/1050435092.db2.gz TZTXYEOUJYLZHK-UGKGYDQZSA-N 1 1 344.543 4.380 20 30 EIEDMO CCCCC[N@@H+](CCNc1nccc(C)c1C#N)Cc1ccccc1 ZINC001186940528 1050444560 /nfs/dbraw/zinc/44/45/60/1050444560.db2.gz SKERDOIMLSQKKB-UHFFFAOYSA-N 1 1 336.483 4.366 20 30 EIEDMO C=CC[N@@H+](C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001173419275 1050449949 /nfs/dbraw/zinc/44/99/49/1050449949.db2.gz AKQBOKKYTNDANH-UHFFFAOYSA-N 1 1 334.891 4.231 20 30 EIEDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173595131 1050497906 /nfs/dbraw/zinc/49/79/06/1050497906.db2.gz LSJNKUHRVXQLLB-GNZRSQJKSA-N 1 1 349.519 4.036 20 30 EIEDMO CC1(C#N)CCC([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001173597933 1050498834 /nfs/dbraw/zinc/49/88/34/1050498834.db2.gz JTCWXIACYOYINA-UHFFFAOYSA-N 1 1 341.282 4.260 20 30 EIEDMO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596805 1050499353 /nfs/dbraw/zinc/49/93/53/1050499353.db2.gz DHSOXQBPEVKSAF-GQOXECLESA-N 1 1 349.519 4.086 20 30 EIEDMO C[N@@H+](C1CCC(C)(C#N)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173600600 1050502630 /nfs/dbraw/zinc/50/26/30/1050502630.db2.gz GFFXFUBGMSKSPX-RRWXTXHCSA-N 1 1 349.519 4.180 20 30 EIEDMO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2ccco2)CC1 ZINC001203278373 1050525817 /nfs/dbraw/zinc/52/58/17/1050525817.db2.gz MFKWPTYGETVBBX-UHFFFAOYSA-N 1 1 345.240 4.099 20 30 EIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)s1 ZINC000618801908 1050532826 /nfs/dbraw/zinc/53/28/26/1050532826.db2.gz BMTSYUFHJLTRSX-RNCFNFMXSA-N 1 1 348.269 4.115 20 30 EIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2cnccc2c1 ZINC000618809722 1050536600 /nfs/dbraw/zinc/53/66/00/1050536600.db2.gz PWUPFVLBXRPIOU-UHFFFAOYSA-N 1 1 333.391 4.331 20 30 EIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000093363413 1050582460 /nfs/dbraw/zinc/58/24/60/1050582460.db2.gz QSQUKAXREJOKIO-UHFFFAOYSA-N 1 1 335.879 4.320 20 30 EIEDMO C#Cc1ccc(CNc2[nH]c3cc(Br)c(F)cc3[nH+]2)cc1 ZINC001179768578 1050765724 /nfs/dbraw/zinc/76/57/24/1050765724.db2.gz SAILXAXTFNEAFW-UHFFFAOYSA-N 1 1 344.187 4.058 20 30 EIEDMO C=CCOc1c(Cl)cc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1OC ZINC001179899014 1050807143 /nfs/dbraw/zinc/80/71/43/1050807143.db2.gz XNSJAMDWDQXRSA-CQSZACIVSA-N 1 1 341.879 4.159 20 30 EIEDMO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000619535299 1050814277 /nfs/dbraw/zinc/81/42/77/1050814277.db2.gz WEOUIFTVSYJJDC-UHFFFAOYSA-N 1 1 348.475 4.053 20 30 EIEDMO C=CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccc(OC)cc1 ZINC001179966103 1050851554 /nfs/dbraw/zinc/85/15/54/1050851554.db2.gz GGFUCHWCKOOYPQ-VOTSOKGWSA-N 1 1 336.479 4.463 20 30 EIEDMO CC[N@@H+](CC1(c2ccc3c(c2)OCO3)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC001180199399 1050927491 /nfs/dbraw/zinc/92/74/91/1050927491.db2.gz RYUJIYZMZPLJEJ-MRXNPFEDSA-N 1 1 348.446 4.402 20 30 EIEDMO CCCc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC001180271496 1050943148 /nfs/dbraw/zinc/94/31/48/1050943148.db2.gz LBBMRVXUUABGKI-UHFFFAOYSA-N 1 1 343.471 4.034 20 30 EIEDMO N#Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc12 ZINC001174445578 1050978500 /nfs/dbraw/zinc/97/85/00/1050978500.db2.gz KWTDQRVFZUWPNY-UHFFFAOYSA-N 1 1 343.430 4.287 20 30 EIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180505182 1051022356 /nfs/dbraw/zinc/02/23/56/1051022356.db2.gz IXGSZSHREZXOTC-GASCZTMLSA-N 1 1 336.501 4.039 20 30 EIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cc2ccccc2o1 ZINC001190485037 1051187460 /nfs/dbraw/zinc/18/74/60/1051187460.db2.gz GEQSILDNDPHRNA-GOSISDBHSA-N 1 1 325.383 4.294 20 30 EIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cc2ccccc2o1 ZINC001190485037 1051187467 /nfs/dbraw/zinc/18/74/67/1051187467.db2.gz GEQSILDNDPHRNA-GOSISDBHSA-N 1 1 325.383 4.294 20 30 EIEDMO C=C(C)Nc1ccccc1C[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC001174794756 1051197608 /nfs/dbraw/zinc/19/76/08/1051197608.db2.gz IZAGRDQQDOGSNP-IBGZPJMESA-N 1 1 330.859 4.451 20 30 EIEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC001190509861 1051197964 /nfs/dbraw/zinc/19/79/64/1051197964.db2.gz HOEVJUSRHQKOFE-UHFFFAOYSA-N 1 1 326.415 4.377 20 30 EIEDMO C#CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@H]1CCc2ccccc21 ZINC001190529618 1051207242 /nfs/dbraw/zinc/20/72/42/1051207242.db2.gz UXAVPIRCWGSYHV-FQEVSTJZSA-N 1 1 325.839 4.471 20 30 EIEDMO C#CC[N@H+](Cc1cc(OC)ccc1Cl)[C@H]1CCc2ccccc21 ZINC001190529618 1051207255 /nfs/dbraw/zinc/20/72/55/1051207255.db2.gz UXAVPIRCWGSYHV-FQEVSTJZSA-N 1 1 325.839 4.471 20 30 EIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000775399265 1051223634 /nfs/dbraw/zinc/22/36/34/1051223634.db2.gz QQQKMFAWPAYTIQ-IBGZPJMESA-N 1 1 347.374 4.104 20 30 EIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC001190661416 1051234852 /nfs/dbraw/zinc/23/48/52/1051234852.db2.gz SKPWCSACBAXUKZ-UHFFFAOYSA-N 1 1 348.368 4.478 20 30 EIEDMO C[C@@H]1CCC[C@H]([N@@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190683490 1051257440 /nfs/dbraw/zinc/25/74/40/1051257440.db2.gz WPJFHMMPPMDFAL-NUJGCVRESA-N 1 1 328.456 4.346 20 30 EIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001190781630 1051276725 /nfs/dbraw/zinc/27/67/25/1051276725.db2.gz UJCRRNAGEFAWBA-GOSISDBHSA-N 1 1 335.407 4.236 20 30 EIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699145 1051292198 /nfs/dbraw/zinc/29/21/98/1051292198.db2.gz ZQPWLIXAQWNEHK-HNNXBMFYSA-N 1 1 345.368 4.352 20 30 EIEDMO C=CCC[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OCC ZINC001181827420 1051323310 /nfs/dbraw/zinc/32/33/10/1051323310.db2.gz LAZUTBRZWNZEQL-UUKMXZOPSA-N 1 1 329.484 4.448 20 30 EIEDMO C[C@H]1SCC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC001191028958 1051331430 /nfs/dbraw/zinc/33/14/30/1051331430.db2.gz CVPFRYDVPNFAOZ-UZLBHIALSA-N 1 1 325.452 4.356 20 30 EIEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC001191028958 1051331439 /nfs/dbraw/zinc/33/14/39/1051331439.db2.gz CVPFRYDVPNFAOZ-UZLBHIALSA-N 1 1 325.452 4.356 20 30 EIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001181970540 1051372640 /nfs/dbraw/zinc/37/26/40/1051372640.db2.gz DLTLCCKLTOWDSP-HNNXBMFYSA-N 1 1 343.829 4.481 20 30 EIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001191214564 1051389235 /nfs/dbraw/zinc/38/92/35/1051389235.db2.gz PVPQSTSYDXOYHU-VXKWHMMOSA-N 1 1 334.463 4.436 20 30 EIEDMO CCC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191259456 1051398898 /nfs/dbraw/zinc/39/88/98/1051398898.db2.gz WIHAKCNYDBLSGW-LJQANCHMSA-N 1 1 347.890 4.442 20 30 EIEDMO Cc1oc(C(C)(C)C)cc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001182136786 1051402460 /nfs/dbraw/zinc/40/24/60/1051402460.db2.gz CXNARJNFAWVODC-UHFFFAOYSA-N 1 1 340.467 4.406 20 30 EIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232124 1051405243 /nfs/dbraw/zinc/40/52/43/1051405243.db2.gz GFZPXHNFXUQYQH-SFTDATJTSA-N 1 1 347.462 4.155 20 30 EIEDMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001191454392 1051447812 /nfs/dbraw/zinc/44/78/12/1051447812.db2.gz NURTVQYOAXCMPG-GHTZIAJQSA-N 1 1 347.462 4.012 20 30 EIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC001175228990 1051457469 /nfs/dbraw/zinc/45/74/69/1051457469.db2.gz KPFKNFVUERLZKF-IBGZPJMESA-N 1 1 342.389 4.081 20 30 EIEDMO N#Cc1ccccc1OCC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001191626401 1051493503 /nfs/dbraw/zinc/49/35/03/1051493503.db2.gz IIWKUWHZDMMCHB-IFMALSPDSA-N 1 1 332.447 4.338 20 30 EIEDMO Brc1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774367992 1051565020 /nfs/dbraw/zinc/56/50/20/1051565020.db2.gz ACUVZRQAZJNACU-UHFFFAOYSA-N 1 1 330.229 4.471 20 30 EIEDMO N#Cc1c(F)ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1F ZINC001175506104 1051638240 /nfs/dbraw/zinc/63/82/40/1051638240.db2.gz OSUUIRZNUFSKEH-UHFFFAOYSA-N 1 1 325.362 4.038 20 30 EIEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172324 1051643663 /nfs/dbraw/zinc/64/36/63/1051643663.db2.gz BGMWAEDQKIBEAG-KBXCAEBGSA-N 1 1 347.890 4.441 20 30 EIEDMO CCc1cccc2cc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)oc21 ZINC001182763348 1051685165 /nfs/dbraw/zinc/68/51/65/1051685165.db2.gz CYNHYJWTFGVVOX-HXUWFJFHSA-N 1 1 334.419 4.032 20 30 EIEDMO C#CC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523524 1051701758 /nfs/dbraw/zinc/70/17/58/1051701758.db2.gz JQOAHLDIQRPWRA-OIBXWCBGSA-N 1 1 332.491 4.251 20 30 EIEDMO C#CC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523524 1051701769 /nfs/dbraw/zinc/70/17/69/1051701769.db2.gz JQOAHLDIQRPWRA-OIBXWCBGSA-N 1 1 332.491 4.251 20 30 EIEDMO CC#CCCCCCCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001182769661 1051706256 /nfs/dbraw/zinc/70/62/56/1051706256.db2.gz PDFPFESYFRSHFI-IBGZPJMESA-N 1 1 342.483 4.124 20 30 EIEDMO N#CC1(CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001192389751 1051711762 /nfs/dbraw/zinc/71/17/62/1051711762.db2.gz ILCJYPVYOHUOBD-UHFFFAOYSA-N 1 1 327.428 4.423 20 30 EIEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCCC1 ZINC001182929676 1051755913 /nfs/dbraw/zinc/75/59/13/1051755913.db2.gz GKKALVCTSXSINH-CTNGQTDRSA-N 1 1 337.511 4.418 20 30 EIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774613015 1051825388 /nfs/dbraw/zinc/82/53/88/1051825388.db2.gz GQOPMSGPRDKKPQ-LJQANCHMSA-N 1 1 346.833 4.296 20 30 EIEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001192939839 1051841863 /nfs/dbraw/zinc/84/18/63/1051841863.db2.gz ULHYBWVVDHUJLI-SFHVURJKSA-N 1 1 337.410 4.245 20 30 EIEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001192939839 1051841866 /nfs/dbraw/zinc/84/18/66/1051841866.db2.gz ULHYBWVVDHUJLI-SFHVURJKSA-N 1 1 337.410 4.245 20 30 EIEDMO CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001193210563 1051887159 /nfs/dbraw/zinc/88/71/59/1051887159.db2.gz OIECMCVOJNRYAL-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210563 1051887163 /nfs/dbraw/zinc/88/71/63/1051887163.db2.gz OIECMCVOJNRYAL-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210563 1051887167 /nfs/dbraw/zinc/88/71/67/1051887167.db2.gz OIECMCVOJNRYAL-AVRDEDQJSA-N 1 1 333.479 4.216 20 30 EIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000621731895 1051927424 /nfs/dbraw/zinc/92/74/24/1051927424.db2.gz DWJLJPGXFUAGBI-QGZVFWFLSA-N 1 1 342.508 4.092 20 30 EIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234924 1051968583 /nfs/dbraw/zinc/96/85/83/1051968583.db2.gz LLTNRFUUSBZSDE-WMLDXEAASA-N 1 1 337.492 4.444 20 30 EIEDMO CCCC[C@@H](CC)COC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001193945801 1052044714 /nfs/dbraw/zinc/04/47/14/1052044714.db2.gz YBSMVSVGPNDIFC-CYBMUJFWSA-N 1 1 349.500 4.373 20 30 EIEDMO CCCC[C@@H](CC)COC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001193945801 1052044723 /nfs/dbraw/zinc/04/47/23/1052044723.db2.gz YBSMVSVGPNDIFC-CYBMUJFWSA-N 1 1 349.500 4.373 20 30 EIEDMO C=C[C@@H]1CCCC[N@@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001193943378 1052044788 /nfs/dbraw/zinc/04/47/88/1052044788.db2.gz VSHDEAOWPNTLHM-LJQANCHMSA-N 1 1 329.484 4.423 20 30 EIEDMO CCCCCCCOC(=O)NC1CCN(c2[nH+]cccc2C)CC1 ZINC001194016058 1052050794 /nfs/dbraw/zinc/05/07/94/1052050794.db2.gz SJAJXEVZURTBDE-UHFFFAOYSA-N 1 1 333.476 4.055 20 30 EIEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(F)cc1F ZINC000774799282 1052138382 /nfs/dbraw/zinc/13/83/82/1052138382.db2.gz RNHUFWSATRIPOS-NSHDSACASA-N 1 1 336.769 4.371 20 30 EIEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccc(C#N)c(F)c1 ZINC001194457987 1052147930 /nfs/dbraw/zinc/14/79/30/1052147930.db2.gz QJVCGRBIZAJKIQ-NSHDSACASA-N 1 1 342.805 4.420 20 30 EIEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000774825254 1052162733 /nfs/dbraw/zinc/16/27/33/1052162733.db2.gz SMIZMQBJLQDBRQ-CQSZACIVSA-N 1 1 344.842 4.410 20 30 EIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001176855714 1052203695 /nfs/dbraw/zinc/20/36/95/1052203695.db2.gz GRYFRVRDXSDYQM-IEBWSBKVSA-N 1 1 326.484 4.126 20 30 EIEDMO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(C#N)cc1C ZINC001176960258 1052211706 /nfs/dbraw/zinc/21/17/06/1052211706.db2.gz WMCUQNLTTYSDJR-AWEZNQCLSA-N 1 1 339.508 4.470 20 30 EIEDMO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(C#N)cc1C ZINC001176960258 1052211712 /nfs/dbraw/zinc/21/17/12/1052211712.db2.gz WMCUQNLTTYSDJR-AWEZNQCLSA-N 1 1 339.508 4.470 20 30 EIEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000671247365 1052529462 /nfs/dbraw/zinc/52/94/62/1052529462.db2.gz SDBJTEHXGWGNPQ-IBGZPJMESA-N 1 1 327.493 4.045 20 30 EIEDMO COc1cc(C[N@@H+](C)C2CCC2)ccc1OCc1cccc(C#N)c1 ZINC000072721895 1052580926 /nfs/dbraw/zinc/58/09/26/1052580926.db2.gz XMHPHADGTJNGFH-UHFFFAOYSA-N 1 1 336.435 4.130 20 30 EIEDMO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183069444 1052962646 /nfs/dbraw/zinc/96/26/46/1052962646.db2.gz LLARDJAEEPGGKW-MRXNPFEDSA-N 1 1 347.528 4.102 20 30 EIEDMO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744607 1053079039 /nfs/dbraw/zinc/07/90/39/1053079039.db2.gz ISURGQNIYIDUBL-OXQOHEQNSA-N 1 1 335.451 4.291 20 30 EIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850241458 1053097883 /nfs/dbraw/zinc/09/78/83/1053097883.db2.gz HBYIXYNIECPYSU-LJQANCHMSA-N 1 1 334.467 4.186 20 30 EIEDMO C[N@@H+](CCCCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173542644 1053239484 /nfs/dbraw/zinc/23/94/84/1053239484.db2.gz ZVEYGJCHPLHVIC-UHFFFAOYSA-N 1 1 346.434 4.063 20 30 EIEDMO CCC[N@@H+](C)[C@H](C/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679814 1053261357 /nfs/dbraw/zinc/26/13/57/1053261357.db2.gz JFFBEIOZFNOLFI-KKJJZKEWSA-N 1 1 346.858 4.253 20 30 EIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000764963255 1053398638 /nfs/dbraw/zinc/39/86/38/1053398638.db2.gz BWNGECXTCOZNHQ-KFKAGJAMSA-N 1 1 334.891 4.095 20 30 EIEDMO C[C@H](c1cccc2ccccc21)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877113 1053511983 /nfs/dbraw/zinc/51/19/83/1053511983.db2.gz RBWQGHVRRRUACG-OPAMFIHVSA-N 1 1 330.431 4.438 20 30 EIEDMO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC([NH+]2CCCCC2)C1 ZINC000794846736 1053533892 /nfs/dbraw/zinc/53/38/92/1053533892.db2.gz CHQFCVAIRIVAIU-GRSHGNNSSA-N 1 1 327.255 4.135 20 30 EIEDMO COc1ccc(C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 ZINC000120723155 1053589497 /nfs/dbraw/zinc/58/94/97/1053589497.db2.gz YVAUGYMQAOSWJO-INIZCTEOSA-N 1 1 336.435 4.151 20 30 EIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000852685733 1053602295 /nfs/dbraw/zinc/60/22/95/1053602295.db2.gz JKAJTICIMUGXCG-OKILXGFUSA-N 1 1 338.423 4.123 20 30 EIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCCO2 ZINC000852782203 1053613344 /nfs/dbraw/zinc/61/33/44/1053613344.db2.gz SFWHEAVPZLWCFF-CYBMUJFWSA-N 1 1 326.827 4.387 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000120788277 1053614004 /nfs/dbraw/zinc/61/40/04/1053614004.db2.gz ZHKLKVQIAVJNJF-CQSZACIVSA-N 1 1 337.448 4.219 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000120788277 1053614011 /nfs/dbraw/zinc/61/40/11/1053614011.db2.gz ZHKLKVQIAVJNJF-CQSZACIVSA-N 1 1 337.448 4.219 20 30 EIEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC001196442259 1053661508 /nfs/dbraw/zinc/66/15/08/1053661508.db2.gz QBMJNTFOSGRMTN-LBPRGKRZSA-N 1 1 327.255 4.220 20 30 EIEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC001197041379 1053824076 /nfs/dbraw/zinc/82/40/76/1053824076.db2.gz MKWVBSVONRMGQJ-LJQANCHMSA-N 1 1 338.426 4.344 20 30 EIEDMO COCC[N@H+](CC1(C#N)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347493091 1053859203 /nfs/dbraw/zinc/85/92/03/1053859203.db2.gz WIQJHCQMOLNYFG-ZDUSSCGKSA-N 1 1 326.362 4.019 20 30 EIEDMO COCC[N@@H+](CC1(C#N)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347493091 1053859212 /nfs/dbraw/zinc/85/92/12/1053859212.db2.gz WIQJHCQMOLNYFG-ZDUSSCGKSA-N 1 1 326.362 4.019 20 30 EIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1ccccn1 ZINC000130762786 1053865718 /nfs/dbraw/zinc/86/57/18/1053865718.db2.gz CDCRLAYVWOMYIA-UHFFFAOYSA-N 1 1 343.430 4.164 20 30 EIEDMO N#Cc1cccc(OC2CC[NH+](Cc3sccc3Cl)CC2)c1 ZINC000338549256 1053999690 /nfs/dbraw/zinc/99/96/90/1053999690.db2.gz PBKIFEYYXSLUQS-UHFFFAOYSA-N 1 1 332.856 4.317 20 30 EIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001198269593 1054120446 /nfs/dbraw/zinc/12/04/46/1054120446.db2.gz AVAGELUGTFATQB-GLBTYYSXSA-N 1 1 344.458 4.174 20 30 EIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccccc4C#N)C3)nc2c1 ZINC000130775392 1054139783 /nfs/dbraw/zinc/13/97/83/1054139783.db2.gz JTYPIOOXKIIPID-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000130775392 1054139787 /nfs/dbraw/zinc/13/97/87/1054139787.db2.gz JTYPIOOXKIIPID-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000130775392 1054139790 /nfs/dbraw/zinc/13/97/90/1054139790.db2.gz JTYPIOOXKIIPID-SFHVURJKSA-N 1 1 330.435 4.123 20 30 EIEDMO C=CCCC[N@H+](CC)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198457940 1054149012 /nfs/dbraw/zinc/14/90/12/1054149012.db2.gz OLMHQNDQANOAAJ-UHFFFAOYSA-N 1 1 331.435 4.405 20 30 EIEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490796 1054163149 /nfs/dbraw/zinc/16/31/49/1054163149.db2.gz KSGDAMCPFNUCIY-MSOLQXFVSA-N 1 1 332.463 4.070 20 30 EIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033155 1054349216 /nfs/dbraw/zinc/34/92/16/1054349216.db2.gz FYPWZNHFVKBZLB-AWEZNQCLSA-N 1 1 349.500 4.008 20 30 EIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000858341973 1054468576 /nfs/dbraw/zinc/46/85/76/1054468576.db2.gz IQONPDDKKJWWBY-AWEZNQCLSA-N 1 1 342.389 4.425 20 30 EIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000105498157 1054528464 /nfs/dbraw/zinc/52/84/64/1054528464.db2.gz DDYUIQGBEJJDBE-CYBMUJFWSA-N 1 1 329.469 4.021 20 30 EIEDMO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(C)cs1 ZINC000105503232 1054532506 /nfs/dbraw/zinc/53/25/06/1054532506.db2.gz WTBUTQMEYJYEOK-QGZVFWFLSA-N 1 1 329.469 4.375 20 30 EIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001201839276 1054930613 /nfs/dbraw/zinc/93/06/13/1054930613.db2.gz JZUJMTUPXBTUMF-HDICACEKSA-N 1 1 335.561 4.257 20 30 EIEDMO CCCCCCCCC[N@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201838661 1054931805 /nfs/dbraw/zinc/93/18/05/1054931805.db2.gz BHWMYWOXUSUVFQ-UNMCSNQZSA-N 1 1 342.527 4.343 20 30 EIEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877088046 1055016227 /nfs/dbraw/zinc/01/62/27/1055016227.db2.gz ZWJPZXISIGXTLO-AWEZNQCLSA-N 1 1 343.858 4.382 20 30 EIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC001137119566 1055042131 /nfs/dbraw/zinc/04/21/31/1055042131.db2.gz WCOPMVHDCGDBMN-UHFFFAOYSA-N 1 1 343.430 4.186 20 30 EIEDMO C=CCOCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000339037648 1055066102 /nfs/dbraw/zinc/06/61/02/1055066102.db2.gz OUAJDIDUEHHGHT-QGZVFWFLSA-N 1 1 331.847 4.070 20 30 EIEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000339037648 1055066111 /nfs/dbraw/zinc/06/61/11/1055066111.db2.gz OUAJDIDUEHHGHT-QGZVFWFLSA-N 1 1 331.847 4.070 20 30 EIEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000877544835 1055077234 /nfs/dbraw/zinc/07/72/34/1055077234.db2.gz YLEDIGFBVAQOKC-OLZOCXBDSA-N 1 1 331.769 4.160 20 30 EIEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000877544835 1055077247 /nfs/dbraw/zinc/07/72/47/1055077247.db2.gz YLEDIGFBVAQOKC-OLZOCXBDSA-N 1 1 331.769 4.160 20 30 EIEDMO C[C@@H](CCC#N)C[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601219 1055087816 /nfs/dbraw/zinc/08/78/16/1055087816.db2.gz XUBVOAUVLCTESA-DLBZAZTESA-N 1 1 349.519 4.038 20 30 EIEDMO COC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001202252070 1055096626 /nfs/dbraw/zinc/09/66/26/1055096626.db2.gz AMOPBRWOTVYTOP-KRWDZBQOSA-N 1 1 336.435 4.075 20 30 EIEDMO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877681592 1055107661 /nfs/dbraw/zinc/10/76/61/1055107661.db2.gz QCUKVCDTMSCZFP-UHFFFAOYSA-N 1 1 347.462 4.004 20 30 EIEDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877681592 1055107664 /nfs/dbraw/zinc/10/76/64/1055107664.db2.gz QCUKVCDTMSCZFP-UHFFFAOYSA-N 1 1 347.462 4.004 20 30 EIEDMO C[C@H]1CC[N@@H+](CCOCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045547 1055113265 /nfs/dbraw/zinc/11/32/65/1055113265.db2.gz UVHSTENFIIFPDQ-BBRMVZONSA-N 1 1 326.362 4.019 20 30 EIEDMO N#Cc1cccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)n1 ZINC000877763587 1055119576 /nfs/dbraw/zinc/11/95/76/1055119576.db2.gz CYZUXLUGRKVZTB-FQEVSTJZSA-N 1 1 345.450 4.241 20 30 EIEDMO CC[N@@H+](CCc1cccs1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878014283 1055175101 /nfs/dbraw/zinc/17/51/01/1055175101.db2.gz JMCXRPZRNBAVEX-HXUWFJFHSA-N 1 1 340.492 4.053 20 30 EIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2ccccc2[C@H]1C)c1ccccc1 ZINC000878082816 1055184488 /nfs/dbraw/zinc/18/44/88/1055184488.db2.gz GIPIBDLYJAGGSR-VGSWGCGISA-N 1 1 332.447 4.046 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405587 1055294879 /nfs/dbraw/zinc/29/48/79/1055294879.db2.gz IHBRZFCKTOVZGA-FYYLOGMGSA-N 1 1 346.474 4.225 20 30 EIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C/C(C)=C/c1ccccc1)c1ccccc1 ZINC000878509637 1055329750 /nfs/dbraw/zinc/32/97/50/1055329750.db2.gz SEXFMIHGHOLRNN-WNLUNTPQSA-N 1 1 346.474 4.462 20 30 EIEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000127265620 1055366902 /nfs/dbraw/zinc/36/69/02/1055366902.db2.gz TWHBIMXNGYZYDV-HNAYVOBHSA-N 1 1 334.419 4.421 20 30 EIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C#N)cc1 ZINC000301409867 1055931607 /nfs/dbraw/zinc/93/16/07/1055931607.db2.gz JLARPFCSQHAVSR-UHFFFAOYSA-N 1 1 331.419 4.395 20 30 EIEDMO C[N@H+]1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301458074 1055939247 /nfs/dbraw/zinc/93/92/47/1055939247.db2.gz ZJASOYUUJGCICA-UGSOOPFHSA-N 1 1 347.434 4.393 20 30 EIEDMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000301868067 1055995547 /nfs/dbraw/zinc/99/55/47/1055995547.db2.gz IPGOWSKKRPZTDG-PBHICJAKSA-N 1 1 347.249 4.117 20 30 EIEDMO C[C@@H](CNc1ccc2cc(C#N)ccc2n1)[N@H+]1CCc2sccc2C1 ZINC000301991773 1056006487 /nfs/dbraw/zinc/00/64/87/1056006487.db2.gz YMZDHXOXRIESNE-AWEZNQCLSA-N 1 1 348.475 4.027 20 30 EIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000252465863 1056735701 /nfs/dbraw/zinc/73/57/01/1056735701.db2.gz PPORAFBTIHICAP-FXAWDEMLSA-N 1 1 347.462 4.012 20 30 EIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000007786499 1056818301 /nfs/dbraw/zinc/81/83/01/1056818301.db2.gz GZZDZDUOIRJGRG-UHFFFAOYSA-N 1 1 345.512 4.092 20 30 EIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803462 1058382052 /nfs/dbraw/zinc/38/20/52/1058382052.db2.gz BZENRNQYTPPMOW-UXHICEINSA-N 1 1 342.483 4.149 20 30 EIEDMO COc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1C#N ZINC000742367560 1058576529 /nfs/dbraw/zinc/57/65/29/1058576529.db2.gz BXRWNDABZDXLAO-UHFFFAOYSA-N 1 1 343.839 4.120 20 30 EIEDMO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381921 1058583310 /nfs/dbraw/zinc/58/33/10/1058583310.db2.gz SHTDEUUETNWMAM-UHFFFAOYSA-N 1 1 339.197 4.303 20 30 EIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCc2cccs2)c1O ZINC000743384590 1058969776 /nfs/dbraw/zinc/96/97/76/1058969776.db2.gz RUVYMONVPMWPQS-UHFFFAOYSA-N 1 1 331.481 4.255 20 30 EIEDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860899 1059165551 /nfs/dbraw/zinc/16/55/51/1059165551.db2.gz YXIXEAHZAXAQRP-NQIIRXRSSA-N 1 1 341.499 4.142 20 30 EIEDMO C#CC[N@H+](C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739278 1059625656 /nfs/dbraw/zinc/62/56/56/1059625656.db2.gz RDVSTIPPEDAFAV-OXJNMPFZSA-N 1 1 349.902 4.046 20 30 EIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000746157946 1060051976 /nfs/dbraw/zinc/05/19/76/1060051976.db2.gz YPQMZGMVGXXMDC-QHCPKHFHSA-N 1 1 342.442 4.294 20 30 EIEDMO C=CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C(C)C ZINC000746219444 1060069150 /nfs/dbraw/zinc/06/91/50/1060069150.db2.gz SFYFUPRLFRKCTE-UHFFFAOYSA-N 1 1 336.479 4.112 20 30 EIEDMO CCOc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1Cl ZINC001212578146 1060265143 /nfs/dbraw/zinc/26/51/43/1060265143.db2.gz OOAAIVTVWKUGAU-UHFFFAOYSA-N 1 1 347.871 4.403 20 30 EIEDMO COCC[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001168875090 1060498017 /nfs/dbraw/zinc/49/80/17/1060498017.db2.gz WKRDDDVZBIKGDD-JOCHJYFZSA-N 1 1 332.447 4.425 20 30 EIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)cc1OC)[C@@H]2C ZINC001169163010 1060673297 /nfs/dbraw/zinc/67/32/97/1060673297.db2.gz KSENSSZRAMHFLJ-LSDHHAIUSA-N 1 1 336.435 4.083 20 30 EIEDMO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001169693548 1060901554 /nfs/dbraw/zinc/90/15/54/1060901554.db2.gz WURSPWYRCVBLAB-ANRKENSESA-N 1 1 347.466 4.020 20 30 EIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001169953830 1061050781 /nfs/dbraw/zinc/05/07/81/1061050781.db2.gz WACBAKCRTCQVDL-HXUWFJFHSA-N 1 1 342.483 4.218 20 30 EIEDMO C#CCCC[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000766894300 1061056333 /nfs/dbraw/zinc/05/63/33/1061056333.db2.gz AGGKTGIUOFSNTH-UHFFFAOYSA-N 1 1 327.255 4.057 20 30 EIEDMO C#CCCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000766895506 1061056441 /nfs/dbraw/zinc/05/64/41/1061056441.db2.gz OHKPNIOIHZTPBE-UHFFFAOYSA-N 1 1 327.255 4.057 20 30 EIEDMO C#CCCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000766902242 1061063286 /nfs/dbraw/zinc/06/32/86/1061063286.db2.gz ZFQAODOREDRRAH-UHFFFAOYSA-N 1 1 333.435 4.102 20 30 EIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1 ZINC001165017903 721837299 /nfs/dbraw/zinc/83/72/99/721837299.db2.gz RNESYHFFANRCMG-FQEVSTJZSA-N 1 1 334.467 4.137 20 30 EIEDMO