smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C#N ZINC001164707882 719899786 /nfs/dbraw/zinc/89/97/86/719899786.db2.gz YCLHBSUYUBHREK-UHFFFAOYSA-N 1 0 380.477 2.153 20 30 GEEDRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C=NO)c1 ZINC001164831339 720331658 /nfs/dbraw/zinc/33/16/58/720331658.db2.gz RBXVUDQIJVBZCC-MOPGFXCFSA-N 1 0 385.512 2.110 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]cc(C#N)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841187 720507067 /nfs/dbraw/zinc/50/70/67/720507067.db2.gz XXIFUUVOILFOBB-BPQIPLTHSA-N 1 0 390.495 2.404 20 30 GEEDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164752800 720814514 /nfs/dbraw/zinc/81/45/14/720814514.db2.gz ZYEXFPHTKYIASH-NLWGTHIKSA-N 1 0 377.496 2.233 20 30 GEEDRO CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164868947 721264508 /nfs/dbraw/zinc/26/45/08/721264508.db2.gz GSVFCGAHGRLHHX-UHFFFAOYSA-N 1 0 399.539 2.084 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886188 721378211 /nfs/dbraw/zinc/37/82/11/721378211.db2.gz DPLBDDRBZNAJDP-FXAWDEMLSA-N 1 0 389.931 2.372 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(C#N)n1)CC2 ZINC001164786407 721453721 /nfs/dbraw/zinc/45/37/21/721453721.db2.gz MJLJISHZIMKUAL-LJQANCHMSA-N 1 0 385.512 2.082 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909772 721564809 /nfs/dbraw/zinc/56/48/09/721564809.db2.gz UWBCPOVVRNYBFD-RDJZCZTQSA-N 1 0 392.438 2.263 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001164927939 721869810 /nfs/dbraw/zinc/86/98/10/721869810.db2.gz XHEBLHBWOAMGFF-IOMROCGXSA-N 1 0 394.498 2.486 20 30 GEEDRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C#N)n1 ZINC001164963800 722056540 /nfs/dbraw/zinc/05/65/40/722056540.db2.gz LKSCBBAZYZBCED-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO COc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164977395 722110601 /nfs/dbraw/zinc/11/06/01/722110601.db2.gz MVCRJAKCBCCVLP-YLJYHZDGSA-N 1 0 379.464 2.084 20 30 GEEDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C=NO)c1 ZINC001164980288 722133946 /nfs/dbraw/zinc/13/39/46/722133946.db2.gz MNVUHMDYPIVHNN-AZUAARDMSA-N 1 0 381.480 2.320 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155193909 531664035 /nfs/dbraw/zinc/66/40/35/531664035.db2.gz VCZJFJAYTOZFOZ-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO N#Cc1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Br)c1 ZINC000160787457 531815895 /nfs/dbraw/zinc/81/58/95/531815895.db2.gz MZWIAXILOUCJML-INIZCTEOSA-N 1 0 377.286 2.239 20 30 GEEDRO C=CCC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165370021 531871313 /nfs/dbraw/zinc/87/13/13/531871313.db2.gz XHCOGXCACFOFDN-QGZVFWFLSA-N 1 0 396.329 2.332 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000173272110 532001540 /nfs/dbraw/zinc/00/15/40/532001540.db2.gz WTKRGFLYPXXTEB-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO Cc1c(Br)cccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122080562 532056119 /nfs/dbraw/zinc/05/61/19/532056119.db2.gz DLJVKEVGJIXSHM-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177977058 532188785 /nfs/dbraw/zinc/18/87/85/532188785.db2.gz FHYWXESGXZKIDJ-UHFFFAOYSA-N 1 0 383.290 2.310 20 30 GEEDRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000180395021 532270171 /nfs/dbraw/zinc/27/01/71/532270171.db2.gz ITXHCZSXFLICSZ-QGZVFWFLSA-N 1 0 395.301 2.400 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000189137610 532351092 /nfs/dbraw/zinc/35/10/92/532351092.db2.gz HMIPLCRDONQBGU-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H]1CSCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000190482623 532356208 /nfs/dbraw/zinc/35/62/08/532356208.db2.gz RDFUGHVJYZQUJX-HOTGVXAUSA-N 1 0 378.567 2.142 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000191822289 532368814 /nfs/dbraw/zinc/36/88/14/532368814.db2.gz ABNXWCHRQYIZIK-ZDUSSCGKSA-N 1 0 380.286 2.390 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000590665447 532381174 /nfs/dbraw/zinc/38/11/74/532381174.db2.gz IIQCWNQRNZMMJQ-CYBMUJFWSA-N 1 0 378.270 2.396 20 30 GEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425742027 532392414 /nfs/dbraw/zinc/39/24/14/532392414.db2.gz MFRRRTKBZKEDER-UHFFFAOYSA-N 1 0 395.301 2.416 20 30 GEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294953963 532392845 /nfs/dbraw/zinc/39/28/45/532392845.db2.gz OISSBFBEOVIGHE-UHFFFAOYSA-N 1 0 393.329 2.324 20 30 GEEDRO Cc1c(I)cn(C[C@H]2CC[C@H](C[NH3+])CC2)c(=O)c1C#N ZINC000516865204 532394886 /nfs/dbraw/zinc/39/48/86/532394886.db2.gz UCXAJVUUDHJJCF-HAQNSBGRSA-N 1 0 385.249 2.398 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626584510 532440772 /nfs/dbraw/zinc/44/07/72/532440772.db2.gz FNEWXNSPWRWAQK-CYBMUJFWSA-N 1 0 384.274 2.202 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592374905 532452485 /nfs/dbraw/zinc/45/24/85/532452485.db2.gz PLYZXGRLUHTJFL-IUODEOHRSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593542083 532485301 /nfs/dbraw/zinc/48/53/01/532485301.db2.gz DQBXPLWSGNSWSV-UHFFFAOYSA-N 1 0 379.507 2.081 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562840915 532486473 /nfs/dbraw/zinc/48/64/73/532486473.db2.gz IZWBCRULAREICT-DOTOQJQBSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCc1ccccc1OC[C@@H](O)CNCc1nn(C)cc1Br ZINC000563000810 532492667 /nfs/dbraw/zinc/49/26/67/532492667.db2.gz OGHVTMNYIHGZJA-AWEZNQCLSA-N 1 0 380.286 2.441 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc(Br)c1C#N ZINC000563620591 532506487 /nfs/dbraw/zinc/50/64/87/532506487.db2.gz ZAAVTIIRSVCKMQ-LLVKDONJSA-N 1 0 393.285 2.026 20 30 GEEDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1(C)C ZINC000296256387 532509730 /nfs/dbraw/zinc/50/97/30/532509730.db2.gz PQOQZKOLKBBBOH-UHFFFAOYSA-N 1 0 379.302 2.077 20 30 GEEDRO Cc1ccc2c(ncc(C#N)c2N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1Br ZINC000594603030 532514636 /nfs/dbraw/zinc/51/46/36/532514636.db2.gz HLGUDFIVXMWEPF-UONOGXRCSA-N 1 0 387.281 2.433 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000521624901 532517429 /nfs/dbraw/zinc/51/74/29/532517429.db2.gz LIQIIOKSULRYIL-CYBMUJFWSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000564970332 532540550 /nfs/dbraw/zinc/54/05/50/532540550.db2.gz GSGVGIXNQDYASS-OAHLLOKOSA-N 1 0 398.326 2.473 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433010646 532553578 /nfs/dbraw/zinc/55/35/78/532553578.db2.gz YKZVSDQNYXVGGR-CYBMUJFWSA-N 1 0 386.315 2.473 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000565230082 532554210 /nfs/dbraw/zinc/55/42/10/532554210.db2.gz WLYCQAPUBXHOMF-UHFFFAOYSA-N 1 0 383.265 2.060 20 30 GEEDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595345443 532558435 /nfs/dbraw/zinc/55/84/35/532558435.db2.gz PEDPODOLBSSVQT-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000432882794 532549279 /nfs/dbraw/zinc/54/92/79/532549279.db2.gz DAHGCQFYXKSSRQ-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654107446 532549782 /nfs/dbraw/zinc/54/97/82/532549782.db2.gz FIOOLQIWGDUVRW-UONOGXRCSA-N 1 0 396.285 2.297 20 30 GEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297243993 532576078 /nfs/dbraw/zinc/57/60/78/532576078.db2.gz UXKBMDIYUFAWGN-MRXNPFEDSA-N 1 0 378.318 2.322 20 30 GEEDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000375752660 532581475 /nfs/dbraw/zinc/58/14/75/532581475.db2.gz FMGGRYWBDOICCH-AWEZNQCLSA-N 1 0 375.372 2.376 20 30 GEEDRO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)N1CCOCC1 ZINC000262017006 532582098 /nfs/dbraw/zinc/58/20/98/532582098.db2.gz WKXILAQVOVQMSN-UHFFFAOYSA-N 1 0 382.302 2.144 20 30 GEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435444317 532618778 /nfs/dbraw/zinc/61/87/78/532618778.db2.gz WDYHVFPCZDTKSL-UHFFFAOYSA-N 1 0 379.507 2.429 20 30 GEEDRO CC[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1CCOC1 ZINC000262819943 532602879 /nfs/dbraw/zinc/60/28/79/532602879.db2.gz PPJHJVZQLHVXJU-LBPRGKRZSA-N 1 0 398.301 2.312 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378233864 532685320 /nfs/dbraw/zinc/68/53/20/532685320.db2.gz UWUITDRDASOONR-XJKSGUPXSA-N 1 0 398.326 2.473 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000264470213 532677262 /nfs/dbraw/zinc/67/72/62/532677262.db2.gz ITJDQDRDGFQVGQ-UHFFFAOYSA-N 1 0 377.539 2.452 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000600756527 532681137 /nfs/dbraw/zinc/68/11/37/532681137.db2.gz QYAHAQSQRJEKGX-OAHLLOKOSA-N 1 0 392.253 2.254 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000299330629 532711220 /nfs/dbraw/zinc/71/12/20/532711220.db2.gz QVBNEPZLHMRINT-UHFFFAOYSA-N 1 0 393.281 2.182 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299506040 532721405 /nfs/dbraw/zinc/72/14/05/532721405.db2.gz BXLWXCNZDPCQHN-UHFFFAOYSA-N 1 0 386.283 2.208 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503423342 532747481 /nfs/dbraw/zinc/74/74/81/532747481.db2.gz CRKDQOUCQLLNFM-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Br)cc2)CC1 ZINC000267146735 532734890 /nfs/dbraw/zinc/73/48/90/532734890.db2.gz BFIZPYFJZCSHAL-UHFFFAOYSA-N 1 0 383.290 2.474 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000286460976 532748379 /nfs/dbraw/zinc/74/83/79/532748379.db2.gz IBNWFBPCNBXCPM-UHFFFAOYSA-N 1 0 398.301 2.157 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000286493816 532750890 /nfs/dbraw/zinc/75/08/90/532750890.db2.gz MTHFUNANXLDYMW-ZDUSSCGKSA-N 1 0 394.313 2.393 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286727369 532765153 /nfs/dbraw/zinc/76/51/53/532765153.db2.gz XPBYXICKZGYKMH-SUMWQHHRSA-N 1 0 382.302 2.254 20 30 GEEDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000584567208 532770102 /nfs/dbraw/zinc/77/01/02/532770102.db2.gz GKWFIWGPUWHRQV-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000287060849 532782053 /nfs/dbraw/zinc/78/20/53/532782053.db2.gz ASAFGTAJSIQLQW-RYUDHWBXSA-N 1 0 381.274 2.240 20 30 GEEDRO CCCCCCCCNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269676765 532786014 /nfs/dbraw/zinc/78/60/14/532786014.db2.gz DDMSYNMAOCGKSS-AWEZNQCLSA-N 1 0 375.560 2.148 20 30 GEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287469810 532796835 /nfs/dbraw/zinc/79/68/35/532796835.db2.gz OMYCLJANJIBVMP-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050408 532781218 /nfs/dbraw/zinc/78/12/18/532781218.db2.gz ABRNRUSVLKXJSB-LBPRGKRZSA-N 1 0 380.290 2.078 20 30 GEEDRO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)nc12 ZINC000329564689 532808856 /nfs/dbraw/zinc/80/88/56/532808856.db2.gz KGMKIJXKKRKBQC-HNNXBMFYSA-N 1 0 392.301 2.252 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000330374260 532817382 /nfs/dbraw/zinc/81/73/82/532817382.db2.gz MNVUJJKNMAEEFL-KBPBESRZSA-N 1 0 393.456 2.243 20 30 GEEDRO C[N@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C1CCCC1 ZINC000330680611 532825149 /nfs/dbraw/zinc/82/51/49/532825149.db2.gz YVLXZJAQOVGOOX-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccccc2I)CC1 ZINC000330875138 532828948 /nfs/dbraw/zinc/82/89/48/532828948.db2.gz UFRRNRBFNTUUDH-UHFFFAOYSA-N 1 0 389.237 2.074 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331220953 532836133 /nfs/dbraw/zinc/83/61/33/532836133.db2.gz UUHHBBUWLLYKBX-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000331231751 532836465 /nfs/dbraw/zinc/83/64/65/532836465.db2.gz QQZCNCFPOBWFKA-CQSZACIVSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CC(C)(C)O ZINC000331289724 532837419 /nfs/dbraw/zinc/83/74/19/532837419.db2.gz AXGMKTVPJRNYES-LBPRGKRZSA-N 1 0 380.286 2.238 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288948926 532842931 /nfs/dbraw/zinc/84/29/31/532842931.db2.gz WXNPFWSHYGNVGU-GXTWGEPZSA-N 1 0 393.285 2.248 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000274181646 532843593 /nfs/dbraw/zinc/84/35/93/532843593.db2.gz JPPTZPIBZDEFNC-UHFFFAOYSA-N 1 0 389.297 2.367 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415433224 532845611 /nfs/dbraw/zinc/84/56/11/532845611.db2.gz ABHKDIJOEPNYDH-HNNXBMFYSA-N 1 0 393.285 2.283 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415571738 532850420 /nfs/dbraw/zinc/85/04/20/532850420.db2.gz UENVTWRGXHQEHE-NWDGAFQWSA-N 1 0 396.285 2.161 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)nc1C ZINC000364202484 532904509 /nfs/dbraw/zinc/90/45/09/532904509.db2.gz UELVOIPAPABILA-MGPLVRAMSA-N 1 0 376.511 2.123 20 30 GEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000292903687 532919618 /nfs/dbraw/zinc/91/96/18/532919618.db2.gz ACQFKZCZQCJQRC-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000366648867 532920020 /nfs/dbraw/zinc/92/00/20/532920020.db2.gz JLFVCQAPVGNSNL-UHFFFAOYSA-N 1 0 376.507 2.000 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000293229327 532923756 /nfs/dbraw/zinc/92/37/56/532923756.db2.gz CFFSFLJTTFSPOP-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(Br)ccc1Br ZINC000294040272 532935049 /nfs/dbraw/zinc/93/50/49/532935049.db2.gz SLBKPUUSRIXKSR-UHFFFAOYSA-N 1 0 389.091 2.292 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)s1 ZINC000369842357 532941178 /nfs/dbraw/zinc/94/11/78/532941178.db2.gz UIHGWJDPFYZBPR-JONQDZQNSA-N 1 0 383.539 2.164 20 30 GEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735419726 598248582 /nfs/dbraw/zinc/24/85/82/598248582.db2.gz ZGRWACDOGJTYNH-MRXNPFEDSA-N 1 0 396.495 2.299 20 30 GEEDRO C=CC[NH+]1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735426623 598357840 /nfs/dbraw/zinc/35/78/40/598357840.db2.gz TUWZIKQYQKHPGM-UHFFFAOYSA-N 1 0 377.905 2.457 20 30 GEEDRO CN(C)c1ccc(C(N)=[NH+]OCCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736773448 598698732 /nfs/dbraw/zinc/69/87/32/598698732.db2.gz MOSWMCBEDCTUQL-UHFFFAOYSA-N 1 0 381.440 2.039 20 30 GEEDRO N#Cc1cccc(OCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822836919 606892395 /nfs/dbraw/zinc/89/23/95/606892395.db2.gz ACJLGAJWVUTUGQ-UHFFFAOYSA-N 1 0 389.463 2.329 20 30 GEEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569047 608484320 /nfs/dbraw/zinc/48/43/20/608484320.db2.gz GBMBEPPOFACHDO-KDOFPFPSSA-N 1 0 378.436 2.023 20 30 GEEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569049 608484550 /nfs/dbraw/zinc/48/45/50/608484550.db2.gz GBMBEPPOFACHDO-RDTXWAMCSA-N 1 0 378.436 2.023 20 30 GEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000826176330 608533769 /nfs/dbraw/zinc/53/37/69/608533769.db2.gz KTCKKDNBBFQTAK-UHFFFAOYSA-N 1 0 376.420 2.405 20 30 GEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000826385261 609600067 /nfs/dbraw/zinc/60/00/67/609600067.db2.gz DNOXIHGFWUNBLS-INIZCTEOSA-N 1 0 379.449 2.085 20 30 GEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448975841 650027904 /nfs/dbraw/zinc/02/79/04/650027904.db2.gz QWCIUGHWXDLVGQ-ZDUSSCGKSA-N 1 0 379.302 2.077 20 30 GEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449206534 650034247 /nfs/dbraw/zinc/03/42/47/650034247.db2.gz PZJNHTSQSSWIEC-STQMWFEESA-N 1 0 385.302 2.237 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1cccc(Br)c1C#N ZINC000449865796 650054612 /nfs/dbraw/zinc/05/46/12/650054612.db2.gz BBFLKVROKNMQKC-ZDUSSCGKSA-N 1 0 380.286 2.500 20 30 GEEDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450045211 650059075 /nfs/dbraw/zinc/05/90/75/650059075.db2.gz FXVFRVLOMNKBAS-UHFFFAOYSA-N 1 0 379.302 2.077 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000450077992 650059631 /nfs/dbraw/zinc/05/96/31/650059631.db2.gz VOEXMISDSRMPEP-WCQYABFASA-N 1 0 378.270 2.441 20 30 GEEDRO N#Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1Br ZINC000450243059 650062857 /nfs/dbraw/zinc/06/28/57/650062857.db2.gz MQBABFJLSIIJHA-CQSZACIVSA-N 1 0 380.286 2.287 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000452102228 650173697 /nfs/dbraw/zinc/17/36/97/650173697.db2.gz HLRIQPOFYRSWEE-CQSZACIVSA-N 1 0 386.315 2.424 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453361746 650208551 /nfs/dbraw/zinc/20/85/51/650208551.db2.gz PIGBLCJXIUAONI-WQAKAFBOSA-N 1 0 375.288 2.091 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000500431025 650376903 /nfs/dbraw/zinc/37/69/03/650376903.db2.gz WSTXQNKSKOWKOW-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1C#N ZINC000475311126 650531820 /nfs/dbraw/zinc/53/18/20/650531820.db2.gz GXRLQIWZKCHFCQ-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000524896076 650648037 /nfs/dbraw/zinc/64/80/37/650648037.db2.gz GDLBDMNECYIIGF-UHFFFAOYSA-N 1 0 386.905 2.483 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000050024903 642675732 /nfs/dbraw/zinc/67/57/32/642675732.db2.gz YFQHQLZFGABCHZ-UHFFFAOYSA-N 1 0 392.297 2.157 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NCc1ccccn1 ZINC000103896434 643173806 /nfs/dbraw/zinc/17/38/06/643173806.db2.gz DNMIQDZFXBRBFA-UHFFFAOYSA-N 1 0 377.242 2.438 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[N@H+](C)CC ZINC000112926656 643377969 /nfs/dbraw/zinc/37/79/69/643377969.db2.gz KOQZVZPVPIAEQM-UHFFFAOYSA-N 1 0 384.274 2.166 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000497763058 650840136 /nfs/dbraw/zinc/84/01/36/650840136.db2.gz KAVRCZVWFCNDBV-HUUCEWRRSA-N 1 0 391.269 2.002 20 30 GEEDRO C=C(Br)CN(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C ZINC000121204013 643629717 /nfs/dbraw/zinc/62/97/17/643629717.db2.gz BZPTYXPTXFSZOQ-HNNXBMFYSA-N 1 0 385.302 2.073 20 30 GEEDRO C=C(Br)CN(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C ZINC000121204176 643629908 /nfs/dbraw/zinc/62/99/08/643629908.db2.gz BZPTYXPTXFSZOQ-OAHLLOKOSA-N 1 0 385.302 2.073 20 30 GEEDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155102800 644064156 /nfs/dbraw/zinc/06/41/56/644064156.db2.gz LVBGQOLXRNFQQR-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1C#N ZINC000174314406 644373237 /nfs/dbraw/zinc/37/32/37/644373237.db2.gz OQSVEYNSLPZHOC-UHFFFAOYSA-N 1 0 379.869 2.288 20 30 GEEDRO Cc1nsc(N2CCC[N@H+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000174801397 644382905 /nfs/dbraw/zinc/38/29/05/644382905.db2.gz XPZYVLYVSZDIPD-UHFFFAOYSA-N 1 0 376.511 2.321 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@]1(C)CCCO1 ZINC000261713730 645595799 /nfs/dbraw/zinc/59/57/99/645595799.db2.gz HNABTIPUHUDFLB-INIZCTEOSA-N 1 0 384.274 2.412 20 30 GEEDRO CC[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CCS[C@H](CC)C1 ZINC000261929628 645612632 /nfs/dbraw/zinc/61/26/32/645612632.db2.gz LKJAMESQBXDZBY-MRXNPFEDSA-N 1 0 384.571 2.351 20 30 GEEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CCO[C@H](COC)C1 ZINC000261937998 645613145 /nfs/dbraw/zinc/61/31/45/645613145.db2.gz MHVTZTLHRMGEHE-AWEZNQCLSA-N 1 0 396.329 2.403 20 30 GEEDRO C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261986510 645614771 /nfs/dbraw/zinc/61/47/71/645614771.db2.gz QFFRUPXZFHJPHK-UHFFFAOYSA-N 1 0 386.587 2.068 20 30 GEEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968281 645614852 /nfs/dbraw/zinc/61/48/52/645614852.db2.gz MADRUXIULIFFEL-UHFFFAOYSA-N 1 0 386.587 2.415 20 30 GEEDRO CC[NH+]=C(NCCc1ccc(F)cc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963958 645614941 /nfs/dbraw/zinc/61/49/41/645614941.db2.gz LAXYWIRFRQZFDY-UHFFFAOYSA-N 1 0 389.924 2.496 20 30 GEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(Cc2cccs2)CC1 ZINC000262360875 645628386 /nfs/dbraw/zinc/62/83/86/645628386.db2.gz GTJCSDGZSXTWBU-UHFFFAOYSA-N 1 0 382.599 2.353 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000262647441 645641209 /nfs/dbraw/zinc/64/12/09/645641209.db2.gz JNBMKVJNSDXXFX-SMDDNHRTSA-N 1 0 388.921 2.183 20 30 GEEDRO C[C@@H](NC(=[NH2+])NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000267376825 645898305 /nfs/dbraw/zinc/89/83/05/645898305.db2.gz ABUBAYJFCINJGG-SNVBAGLBSA-N 1 0 382.313 2.020 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cncc(Cl)c1 ZINC000269968018 646077912 /nfs/dbraw/zinc/07/79/12/646077912.db2.gz KIEVTIVTWANCNJ-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000270956112 646158159 /nfs/dbraw/zinc/15/81/59/646158159.db2.gz ZKNJJSHNLOJLBX-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000278794597 646550235 /nfs/dbraw/zinc/55/02/35/646550235.db2.gz MKNRMIQEKKHUPP-ZDUSSCGKSA-N 1 0 398.326 2.427 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278937454 646564124 /nfs/dbraw/zinc/56/41/24/646564124.db2.gz XBWOXHGGVGHXQF-KRWDZBQOSA-N 1 0 390.325 2.489 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000279565048 646612125 /nfs/dbraw/zinc/61/21/25/646612125.db2.gz PEKRRFXSDAHJOF-UHFFFAOYSA-N 1 0 385.555 2.381 20 30 GEEDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000281419516 646770488 /nfs/dbraw/zinc/77/04/88/646770488.db2.gz FVNYVMJDZNLWBY-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO O=C(NC[C@@]1(O)CCSC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000329974384 647326843 /nfs/dbraw/zinc/32/68/43/647326843.db2.gz DAHYZNQYBKFIKK-PIMMBPRGSA-N 1 0 381.464 2.163 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000330711361 647347982 /nfs/dbraw/zinc/34/79/82/647347982.db2.gz UUMGZSQFDUMMOX-NWDGAFQWSA-N 1 0 386.290 2.390 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331208855 647370634 /nfs/dbraw/zinc/37/06/34/647370634.db2.gz GGMJJLGPBZMPKN-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000331373310 647382976 /nfs/dbraw/zinc/38/29/76/647382976.db2.gz FTKPAUHPQQIVEL-GJZGRUSLSA-N 1 0 383.901 2.085 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000376275403 647840959 /nfs/dbraw/zinc/84/09/59/647840959.db2.gz PJOVFMUKRJBBRR-GFCCVEGCSA-N 1 0 384.299 2.180 20 30 GEEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000408112808 647927548 /nfs/dbraw/zinc/92/75/48/647927548.db2.gz OBCMIBKPYCRRLB-RYUDHWBXSA-N 1 0 386.315 2.424 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416411937 648117538 /nfs/dbraw/zinc/11/75/38/648117538.db2.gz LGSMTPIMFSEQNJ-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C[N@@H+]1C1CC1 ZINC000419677348 648363170 /nfs/dbraw/zinc/36/31/70/648363170.db2.gz NZCOQVAWEPWPJG-PWSUYJOCSA-N 1 0 391.269 2.001 20 30 GEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419681009 648363493 /nfs/dbraw/zinc/36/34/93/648363493.db2.gz TWGDBXSTWKYMCC-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088712 648401168 /nfs/dbraw/zinc/40/11/68/648401168.db2.gz IKZFBNOHXVYAGL-UHFFFAOYSA-N 1 0 398.276 2.100 20 30 GEEDRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424122153 648614242 /nfs/dbraw/zinc/61/42/42/648614242.db2.gz GOKVZWFQAICBLN-JTQLQIEISA-N 1 0 378.376 2.037 20 30 GEEDRO Cc1c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)ccc(Br)c1C#N ZINC000425748471 648693639 /nfs/dbraw/zinc/69/36/39/648693639.db2.gz XJIONYSMQGCVCF-UHFFFAOYSA-N 1 0 393.285 2.120 20 30 GEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425754764 648695569 /nfs/dbraw/zinc/69/55/69/648695569.db2.gz JAMKSCLJZICTDJ-UHFFFAOYSA-N 1 0 395.301 2.368 20 30 GEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCSC1 ZINC000443375629 648874961 /nfs/dbraw/zinc/87/49/61/648874961.db2.gz UCUBSAARNFTMOW-AWEZNQCLSA-N 1 0 393.456 2.293 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550829028 651115487 /nfs/dbraw/zinc/11/54/87/651115487.db2.gz QHRCXMXYGILJER-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000557823091 651273971 /nfs/dbraw/zinc/27/39/71/651273971.db2.gz SOQARZGTYXQQPY-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO CSC1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[NH+](C)CC1 ZINC000563486524 651526463 /nfs/dbraw/zinc/52/64/63/651526463.db2.gz JSCRCBVHOFXRBM-UHFFFAOYSA-N 1 0 380.901 2.094 20 30 GEEDRO C=C(Br)CNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000731472579 651626009 /nfs/dbraw/zinc/62/60/09/651626009.db2.gz GJQSMKWQFHUFRW-UHFFFAOYSA-N 1 0 390.285 2.202 20 30 GEEDRO N#Cc1cc(F)c(NCCCC[NH+]2CCN(CCO)CC2)cc1Br ZINC000568664358 651675014 /nfs/dbraw/zinc/67/50/14/651675014.db2.gz QDJATJVRFTTZGQ-UHFFFAOYSA-N 1 0 399.308 2.262 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000570276331 651757022 /nfs/dbraw/zinc/75/70/22/651757022.db2.gz HCIPABOJPVRRCL-QZTJIDSGSA-N 1 0 379.551 2.094 20 30 GEEDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000571430816 651832310 /nfs/dbraw/zinc/83/23/10/651832310.db2.gz GEPAAYNHGVTPSZ-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000740736542 651921012 /nfs/dbraw/zinc/92/10/12/651921012.db2.gz YLIWTMNHGWVVEX-UHFFFAOYSA-N 1 0 393.281 2.438 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000743490722 652021216 /nfs/dbraw/zinc/02/12/16/652021216.db2.gz VQRJNEJAEBTOKB-UHFFFAOYSA-N 1 0 382.291 2.327 20 30 GEEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000619465575 652059871 /nfs/dbraw/zinc/05/98/71/652059871.db2.gz DKHKEOSBUIYVBY-JTQLQIEISA-N 1 0 391.324 2.279 20 30 GEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000575123531 652063685 /nfs/dbraw/zinc/06/36/85/652063685.db2.gz LSKDMHYKNXDVLO-GXTWGEPZSA-N 1 0 399.232 2.064 20 30 GEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000625701787 652368127 /nfs/dbraw/zinc/36/81/27/652368127.db2.gz AZYYJXLWPANEGS-ZDUSSCGKSA-N 1 0 380.286 2.402 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000582771560 652462391 /nfs/dbraw/zinc/46/23/91/652462391.db2.gz GPPOUYMWQMOISM-UHFFFAOYSA-N 1 0 398.301 2.363 20 30 GEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000583807840 652498134 /nfs/dbraw/zinc/49/81/34/652498134.db2.gz DCNYFUXUWUJFNM-HNNXBMFYSA-N 1 0 381.519 2.410 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554348 652500839 /nfs/dbraw/zinc/50/08/39/652500839.db2.gz YVLCWEKCDQATHO-NWDGAFQWSA-N 1 0 399.310 2.270 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000593408976 652620489 /nfs/dbraw/zinc/62/04/89/652620489.db2.gz NIRNQOCGVAXUAK-UHFFFAOYSA-N 1 0 380.286 2.092 20 30 GEEDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCSC1 ZINC000593504801 652623376 /nfs/dbraw/zinc/62/33/76/652623376.db2.gz ZSCOKSUCACZKRO-MRXNPFEDSA-N 1 0 382.327 2.417 20 30 GEEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000594353744 652645453 /nfs/dbraw/zinc/64/54/53/652645453.db2.gz HFUOBZBKEPNYDO-INIZCTEOSA-N 1 0 382.302 2.072 20 30 GEEDRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425956 652648485 /nfs/dbraw/zinc/64/84/85/652648485.db2.gz NNBQXSOKCOVXTG-CYBMUJFWSA-N 1 0 381.274 2.257 20 30 GEEDRO CN(CC(C)(C)[NH3+])C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000595228587 652708377 /nfs/dbraw/zinc/70/83/77/652708377.db2.gz XGJGIVXOYJYXJY-UHFFFAOYSA-N 1 0 376.511 2.903 20 30 GEEDRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CCCC#N)C2 ZINC000595991657 652746221 /nfs/dbraw/zinc/74/62/21/652746221.db2.gz FTUBNSYNACFWCF-VIFPVBQESA-N 1 0 386.271 2.161 20 30 GEEDRO N#Cc1cc(Br)cnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422552 652761926 /nfs/dbraw/zinc/76/19/26/652761926.db2.gz DXGLZUHUBUPXIT-QGZVFWFLSA-N 1 0 387.281 2.894 20 30 GEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000599100575 652849532 /nfs/dbraw/zinc/84/95/32/652849532.db2.gz JVLDNAFJZPZOBP-LSDHHAIUSA-N 1 0 375.416 2.042 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cn1 ZINC000601025584 652949024 /nfs/dbraw/zinc/94/90/24/652949024.db2.gz DVWLBICVDUOODY-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO C=C(Br)CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806548730 653168253 /nfs/dbraw/zinc/16/82/53/653168253.db2.gz HQBYOBQUHZTAKI-UHFFFAOYSA-N 1 0 395.345 2.354 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807114261 653184702 /nfs/dbraw/zinc/18/47/02/653184702.db2.gz MNKNMPBFULDXMJ-BBRMVZONSA-N 1 0 394.313 2.038 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000808718272 653234176 /nfs/dbraw/zinc/23/41/76/653234176.db2.gz RYFXSLCJIMNMJJ-CYBMUJFWSA-N 1 0 388.693 2.084 20 30 GEEDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCC1(C)C ZINC000874099443 653262946 /nfs/dbraw/zinc/26/29/46/653262946.db2.gz YUHQHCMGALFVQJ-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000857013028 653274357 /nfs/dbraw/zinc/27/43/57/653274357.db2.gz CCBTXHPGKQQAHY-GFCCVEGCSA-N 1 0 384.274 2.066 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000857013029 653274844 /nfs/dbraw/zinc/27/48/44/653274844.db2.gz CCBTXHPGKQQAHY-LBPRGKRZSA-N 1 0 384.274 2.066 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C2(C[NH+](C)C)CC2)n1 ZINC000874291050 653303059 /nfs/dbraw/zinc/30/30/59/653303059.db2.gz BVDXTBFVVRFGQR-UHFFFAOYSA-N 1 0 378.527 2.080 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(C[NH+](C)C)CC2)nc1C ZINC000874446540 653319329 /nfs/dbraw/zinc/31/93/29/653319329.db2.gz ODBRPMIZIBAJGB-UHFFFAOYSA-N 1 0 378.527 2.465 20 30 GEEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(Br)cc1 ZINC000836317108 653344187 /nfs/dbraw/zinc/34/41/87/653344187.db2.gz COQSBCSMRXMNQG-CVEARBPZSA-N 1 0 380.286 2.143 20 30 GEEDRO C#C[C@@H](NC(=O)NCc1cnc(N(C)C)n1C)c1ccc(Br)cc1 ZINC000836352535 653346501 /nfs/dbraw/zinc/34/65/01/653346501.db2.gz XIPILQUJTLHOOH-OAHLLOKOSA-N 1 0 390.285 2.422 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000836490179 653355850 /nfs/dbraw/zinc/35/58/50/653355850.db2.gz MHGQMBKZIUMUSV-UHFFFAOYSA-N 1 0 380.286 2.308 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000776837210 653379311 /nfs/dbraw/zinc/37/93/11/653379311.db2.gz GAISXFYISAPMBD-KRWDZBQOSA-N 1 0 396.304 2.406 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000777149794 653390423 /nfs/dbraw/zinc/39/04/23/653390423.db2.gz LZXPDSKGSCSAIP-UHFFFAOYSA-N 1 0 380.286 2.379 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000876609388 653437565 /nfs/dbraw/zinc/43/75/65/653437565.db2.gz LZTIXOOPIMIVPZ-YPMHNXCESA-N 1 0 380.794 2.373 20 30 GEEDRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859328111 653442440 /nfs/dbraw/zinc/44/24/40/653442440.db2.gz KOIZLWRFPSRQGC-IRXDYDNUSA-N 1 0 397.313 2.486 20 30 GEEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000877682599 653616336 /nfs/dbraw/zinc/61/63/36/653616336.db2.gz QQYCXTRTWCHCBS-UHFFFAOYSA-N 1 0 376.507 2.026 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000838624447 653626408 /nfs/dbraw/zinc/62/64/08/653626408.db2.gz ZFCDUCPPDRMRRP-UHFFFAOYSA-N 1 0 382.258 2.297 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)c(I)cn2)CC1 ZINC000839413191 653648674 /nfs/dbraw/zinc/64/86/74/653648674.db2.gz TYIWPIKOCIZNHM-UHFFFAOYSA-N 1 0 383.233 2.278 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000815082428 653650482 /nfs/dbraw/zinc/65/04/82/653650482.db2.gz PYGHZTFTJLLOEI-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000815082279 653650638 /nfs/dbraw/zinc/65/06/38/653650638.db2.gz IXMNOECHYCFUJB-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861353999 653655497 /nfs/dbraw/zinc/65/54/97/653655497.db2.gz RTFYFKRZKPILFB-RHSMWYFYSA-N 1 0 397.269 2.352 20 30 GEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840785500 653693950 /nfs/dbraw/zinc/69/39/50/653693950.db2.gz HEKNNCZNNLDURQ-CYBMUJFWSA-N 1 0 387.527 2.003 20 30 GEEDRO C/C=C\CN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000863064590 653701833 /nfs/dbraw/zinc/70/18/33/653701833.db2.gz XUKUZFROUHTTSH-XJOVSGHLSA-N 1 0 380.539 2.324 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000840951620 653703193 /nfs/dbraw/zinc/70/31/93/653703193.db2.gz CNQUMFJPNADDKO-UHFFFAOYSA-N 1 0 396.310 2.087 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000863564433 653715652 /nfs/dbraw/zinc/71/56/52/653715652.db2.gz UBVZYJCDSIVEDM-YOEHRIQHSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(I)c(F)cc1F ZINC000818584701 653734010 /nfs/dbraw/zinc/73/40/10/653734010.db2.gz UVEAWZVENPFXPR-UHFFFAOYSA-N 1 0 392.187 2.254 20 30 GEEDRO Cn1c(Sc2ncc(C#N)cc2Br)nnc1[C@H]1CCC[NH2+]C1 ZINC000881993577 653755990 /nfs/dbraw/zinc/75/59/90/653755990.db2.gz VFXWVCXUWJSFSI-JTQLQIEISA-N 1 0 379.287 2.462 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865198067 653756839 /nfs/dbraw/zinc/75/68/39/653756839.db2.gz HARGRIHXFRVGSL-UHFFFAOYSA-N 1 0 381.230 2.004 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820611569 653777978 /nfs/dbraw/zinc/77/79/78/653777978.db2.gz LTNFXVAJQMLBNV-ZQIUZPCESA-N 1 0 394.313 2.220 20 30 GEEDRO C=CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790742281 653796462 /nfs/dbraw/zinc/79/64/62/653796462.db2.gz PEINDTSINTYCTM-CQSZACIVSA-N 1 0 380.539 2.324 20 30 GEEDRO CC(C)CN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790748718 653796596 /nfs/dbraw/zinc/79/65/96/653796596.db2.gz PRSHLAUASPCKFO-CQSZACIVSA-N 1 0 382.555 2.404 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)n[nH]1 ZINC000791325510 653808843 /nfs/dbraw/zinc/80/88/43/653808843.db2.gz GMYCHYJYKLZGAA-UHFFFAOYSA-N 1 0 376.258 2.248 20 30 GEEDRO N#Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ncc1Br ZINC000882813460 653810784 /nfs/dbraw/zinc/81/07/84/653810784.db2.gz NKVDMVLUYCKXGG-UHFFFAOYSA-N 1 0 392.301 2.026 20 30 GEEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Br)c(C#N)n2)cn1 ZINC000883084270 653825477 /nfs/dbraw/zinc/82/54/77/653825477.db2.gz MFCCFAUDGQMMKS-UHFFFAOYSA-N 1 0 378.234 2.118 20 30 GEEDRO C[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1CC(C)(C)O ZINC000883103831 653827364 /nfs/dbraw/zinc/82/73/64/653827364.db2.gz HCTFYELKKBZIJI-NSHDSACASA-N 1 0 396.289 2.025 20 30 GEEDRO C#CC[C@@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000883124659 653829565 /nfs/dbraw/zinc/82/95/65/653829565.db2.gz MGNOUHWDZVOILD-INIZCTEOSA-N 1 0 379.298 2.336 20 30 GEEDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000883611161 653847568 /nfs/dbraw/zinc/84/75/68/653847568.db2.gz PRIFNIXIIHWJFU-BDAKNGLRSA-N 1 0 375.244 2.204 20 30 GEEDRO COc1cc(C#N)cc(Br)c1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866975611 653858974 /nfs/dbraw/zinc/85/89/74/653858974.db2.gz XPBUAAOCMPVJOC-UHFFFAOYSA-N 1 0 389.271 2.132 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000884053875 653861702 /nfs/dbraw/zinc/86/17/02/653861702.db2.gz JTIDGIJVRGULOT-VVHFOWEKSA-N 1 0 381.263 2.187 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNc1cccc(Br)c1)C2 ZINC000884325197 653872258 /nfs/dbraw/zinc/87/22/58/653872258.db2.gz KWWXAUQEWQPNJZ-UIORMTCPSA-N 1 0 377.286 2.117 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335669 653873137 /nfs/dbraw/zinc/87/31/37/653873137.db2.gz ZPXNPCOURYIJDE-VSNNBGBISA-N 1 0 394.244 2.277 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884951916 653897462 /nfs/dbraw/zinc/89/74/62/653897462.db2.gz JKZBEZJBDPYWHZ-ZIAGYGMSSA-N 1 0 384.299 2.226 20 30 GEEDRO COCC[NH+]1CCC(OC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000847886995 653950508 /nfs/dbraw/zinc/95/05/08/653950508.db2.gz WPCCYHNTQDMDKU-UHFFFAOYSA-N 1 0 397.269 2.354 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000867581822 653955903 /nfs/dbraw/zinc/95/59/03/653955903.db2.gz NFZAFODOQMNALW-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886241378 653974086 /nfs/dbraw/zinc/97/40/86/653974086.db2.gz WWDQBHPNXULCSA-XMQYKBBCSA-N 1 0 386.286 2.386 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000827245818 653982865 /nfs/dbraw/zinc/98/28/65/653982865.db2.gz MPDPYJGNBDTZOX-BBRMVZONSA-N 1 0 378.270 2.252 20 30 GEEDRO C#CCN(C(=O)c1ccc(I)cc1O)C1CC[NH+](C)CC1 ZINC000886572605 653992176 /nfs/dbraw/zinc/99/21/76/653992176.db2.gz STDKMWCYPIOCCI-UHFFFAOYSA-N 1 0 398.244 2.166 20 30 GEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662498 653994281 /nfs/dbraw/zinc/99/42/81/653994281.db2.gz FOAHSCOQMAECNQ-RYUDHWBXSA-N 1 0 390.336 2.389 20 30 GEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSCC(F)(F)F)=[NH+]C[C@@H]2C1 ZINC000849057256 654003653 /nfs/dbraw/zinc/00/36/53/654003653.db2.gz JJXJJAOOHGDEAO-LLVKDONJSA-N 1 0 382.452 2.162 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000886900546 654008457 /nfs/dbraw/zinc/00/84/57/654008457.db2.gz ATWLDZSYEHPYPC-INIZCTEOSA-N 1 0 398.326 2.475 20 30 GEEDRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887994576 654061982 /nfs/dbraw/zinc/06/19/82/654061982.db2.gz BVHZLOIYLPUYKM-UHFFFAOYSA-N 1 0 384.274 2.244 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900600533 654072033 /nfs/dbraw/zinc/07/20/33/654072033.db2.gz XJAAULQBXHPVNP-UHFFFAOYSA-N 1 0 385.295 2.275 20 30 GEEDRO C=CCN1CC[C@@H]([N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1=O ZINC000799141878 654085715 /nfs/dbraw/zinc/08/57/15/654085715.db2.gz DQCQNTBXEFGNCB-OAHLLOKOSA-N 1 0 390.281 2.440 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(C#N)c1 ZINC000901728137 654144019 /nfs/dbraw/zinc/14/40/19/654144019.db2.gz LECHBMVQCMOHEF-SMDDNHRTSA-N 1 0 388.269 2.449 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000903150995 654221947 /nfs/dbraw/zinc/22/19/47/654221947.db2.gz ZTOKBHWIIYXPNE-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581255 654261691 /nfs/dbraw/zinc/26/16/91/654261691.db2.gz CVNREFQGFXUXJL-CABCVRRESA-N 1 0 375.416 2.216 20 30 GEEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000853116749 654280248 /nfs/dbraw/zinc/28/02/48/654280248.db2.gz ZMNQAQOJDBQBQO-DOTOQJQBSA-N 1 0 386.261 2.346 20 30 GEEDRO C#CCNC(=O)CC[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000834363061 654319536 /nfs/dbraw/zinc/31/95/36/654319536.db2.gz SZJUNSYXYKNFAU-UHFFFAOYSA-N 1 0 379.298 2.226 20 30 GEEDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(C#N)ccc2Br)C1=O ZINC000921814375 654326487 /nfs/dbraw/zinc/32/64/87/654326487.db2.gz TWYREJXPDGIBCD-GUYCJALGSA-N 1 0 391.269 2.131 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494947 654330243 /nfs/dbraw/zinc/33/02/43/654330243.db2.gz REVFCFLPIZPEPL-SMDDNHRTSA-N 1 0 389.253 2.264 20 30 GEEDRO CCOc1cc(Br)c(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000834512577 654331218 /nfs/dbraw/zinc/33/12/18/654331218.db2.gz YVXSJPCCNMJGTH-OCCSQVGLSA-N 1 0 396.285 2.017 20 30 GEEDRO Cc1nn(-c2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2)c(C)c1Br ZINC000834516699 654331709 /nfs/dbraw/zinc/33/17/09/654331709.db2.gz KVUUWIVJDDMTQR-ZFWWWQNUSA-N 1 0 388.269 2.093 20 30 GEEDRO C=C(C)C[NH+]1CCC(Nc2nc(C(=O)OCC)ncc2Br)CC1 ZINC000892396927 654343977 /nfs/dbraw/zinc/34/39/77/654343977.db2.gz TZHIGSFDQPIFDG-UHFFFAOYSA-N 1 0 383.290 2.290 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000922022085 654356037 /nfs/dbraw/zinc/35/60/37/654356037.db2.gz HFGBFYJGNGUCBE-UHFFFAOYSA-N 1 0 385.327 2.308 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905569912 654366603 /nfs/dbraw/zinc/36/66/03/654366603.db2.gz YFXPVQUHOOZAFB-ZFWWWQNUSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905569901 654366637 /nfs/dbraw/zinc/36/66/37/654366637.db2.gz YFXPVQUHOOZAFB-HIFRSBDPSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905587375 654368229 /nfs/dbraw/zinc/36/82/29/654368229.db2.gz OVRNORHKOCJORO-OAHLLOKOSA-N 1 0 391.269 2.036 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 ZINC000922135452 654370844 /nfs/dbraw/zinc/37/08/44/654370844.db2.gz RFISOBBUAASEPK-HLLBOEOZSA-N 1 0 378.270 2.237 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922631896 654404886 /nfs/dbraw/zinc/40/48/86/654404886.db2.gz YFZJJINJEOTWHW-AWEZNQCLSA-N 1 0 380.290 2.041 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Br ZINC000923734522 654481781 /nfs/dbraw/zinc/48/17/81/654481781.db2.gz NFYRZECMUQETBC-HNNXBMFYSA-N 1 0 384.299 2.227 20 30 GEEDRO COC1CCN(CCNS(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000907027610 654501519 /nfs/dbraw/zinc/50/15/19/654501519.db2.gz KAQAEAOGKFPMAU-UHFFFAOYSA-N 1 0 379.507 2.162 20 30 GEEDRO Cc1c(C)c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1I ZINC000926204420 654563197 /nfs/dbraw/zinc/56/31/97/654563197.db2.gz UXCNMNCBYUDQKO-GXFFZTMASA-N 1 0 384.221 2.141 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000908068787 654601971 /nfs/dbraw/zinc/60/19/71/654601971.db2.gz DTXOGTUCHSMGID-UHFFFAOYSA-N 1 0 378.416 2.233 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000928653457 654654364 /nfs/dbraw/zinc/65/43/64/654654364.db2.gz MWFMLNOAAOXNST-UHFFFAOYSA-N 1 0 380.242 2.493 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(I)cc2NC)CC1 ZINC000928649510 654654440 /nfs/dbraw/zinc/65/44/40/654654440.db2.gz OFWDIQWXVKOJQI-UHFFFAOYSA-N 1 0 397.260 2.160 20 30 GEEDRO O=C(CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1)NC(=O)NCC(F)(F)F ZINC000931919672 654761886 /nfs/dbraw/zinc/76/18/86/654761886.db2.gz QTJIFYGAQLUJEB-SNVBAGLBSA-N 1 0 379.276 2.131 20 30 GEEDRO COC(=O)[C@](C)(O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942403 654794966 /nfs/dbraw/zinc/79/49/66/654794966.db2.gz HDMNSXLZDHIBHD-ACLDMZEESA-N 1 0 385.251 2.013 20 30 GEEDRO COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942409 654794971 /nfs/dbraw/zinc/79/49/71/654794971.db2.gz HDMNSXLZDHIBHD-OOZYFLPDSA-N 1 0 385.251 2.013 20 30 GEEDRO Cc1c(C(=O)NCC#CC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000913516498 654796820 /nfs/dbraw/zinc/79/68/20/654796820.db2.gz SEZVIEKRVVIIRS-UHFFFAOYSA-N 1 0 375.270 2.238 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913516948 654797036 /nfs/dbraw/zinc/79/70/36/654797036.db2.gz MKVWRJIDFGOKHX-INIZCTEOSA-N 1 0 382.291 2.279 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1ccc(I)cc1Cl ZINC000913518501 654797078 /nfs/dbraw/zinc/79/70/78/654797078.db2.gz RLBDEDNVCYZYNK-UHFFFAOYSA-N 1 0 376.625 2.239 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000913517456 654797090 /nfs/dbraw/zinc/79/70/90/654797090.db2.gz BGVYKZDUKIWFNL-UHFFFAOYSA-N 1 0 397.298 2.174 20 30 GEEDRO C[C@H]1CSCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000934304887 654843633 /nfs/dbraw/zinc/84/36/33/654843633.db2.gz UWLLKJWRPIMXES-HOTGVXAUSA-N 1 0 378.567 2.284 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)CC1 ZINC001164616379 719030102 /nfs/dbraw/zinc/03/01/02/719030102.db2.gz CNGFQPWAORVUGH-UHFFFAOYSA-N 1 0 382.468 2.073 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828429 720320221 /nfs/dbraw/zinc/32/02/21/720320221.db2.gz JLMDCEQGZVLOLB-MOPGFXCFSA-N 1 0 399.539 2.261 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C=NO)c1 ZINC001164831342 720331945 /nfs/dbraw/zinc/33/19/45/720331945.db2.gz RBXVUDQIJVBZCC-RTBURBONSA-N 1 0 385.512 2.110 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164841199 720507002 /nfs/dbraw/zinc/50/70/02/720507002.db2.gz XXIFUUVOILFOBB-SZMVWBNQSA-N 1 0 390.495 2.404 20 30 GEEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739727 720696696 /nfs/dbraw/zinc/69/66/96/720696696.db2.gz PAVBJKNFDVECMT-STQMWFEESA-N 1 0 391.262 2.392 20 30 GEEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738055 720728814 /nfs/dbraw/zinc/72/88/14/720728814.db2.gz DONVZIGLKDOLMR-OALUTQOASA-N 1 0 393.567 2.442 20 30 GEEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748959 720802245 /nfs/dbraw/zinc/80/22/45/720802245.db2.gz SDJMFALRUMDAKR-MOPGFXCFSA-N 1 0 393.567 2.442 20 30 GEEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164748960 720802441 /nfs/dbraw/zinc/80/24/41/720802441.db2.gz SDJMFALRUMDAKR-OALUTQOASA-N 1 0 393.567 2.442 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c1 ZINC001164744924 720813924 /nfs/dbraw/zinc/81/39/24/720813924.db2.gz JSMFHCBXLVYPED-VAMGGRTRSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164752804 720814301 /nfs/dbraw/zinc/81/43/01/720814301.db2.gz ZYEXFPHTKYIASH-WSTZPKSXSA-N 1 0 377.496 2.233 20 30 GEEDRO N#Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1F ZINC001164745553 720828286 /nfs/dbraw/zinc/82/82/86/720828286.db2.gz WRJKKEFBEHKBEZ-RCCFBDPRSA-N 1 0 381.459 2.063 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(Cl)c(C)c3C#N)CC[C@H]2C1 ZINC001164855530 720835183 /nfs/dbraw/zinc/83/51/83/720835183.db2.gz UJUCMJJSJOFSAV-DOTOQJQBSA-N 1 0 378.904 2.397 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1C#N ZINC001164745817 720837495 /nfs/dbraw/zinc/83/74/95/720837495.db2.gz NOLUAVRMJCHEGF-VAMGGRTRSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]2C1 ZINC001164861222 720865086 /nfs/dbraw/zinc/86/50/86/720865086.db2.gz XPMKHNZBIVCHON-WOJBJXKFSA-N 1 0 387.600 2.484 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886194 721377973 /nfs/dbraw/zinc/37/79/73/721377973.db2.gz DPLBDDRBZNAJDP-XLIONFOSSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888749 721428587 /nfs/dbraw/zinc/42/85/87/721428587.db2.gz AQJDRGHEUQKSHT-GCJKJVERSA-N 1 0 394.523 2.200 20 30 GEEDRO COc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C#N ZINC001164962564 722054637 /nfs/dbraw/zinc/05/46/37/722054637.db2.gz FOAVHZNIIHRDDI-UHFFFAOYSA-N 1 0 393.491 2.476 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979056 722119851 /nfs/dbraw/zinc/11/98/51/722119851.db2.gz OUSUYZROBLHGPB-PMACEKPBSA-N 1 0 395.507 2.472 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C=NO)c1 ZINC001164980291 722133988 /nfs/dbraw/zinc/13/39/88/722133988.db2.gz MNVUHMDYPIVHNN-UYAOXDASSA-N 1 0 381.480 2.320 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155256837 531668511 /nfs/dbraw/zinc/66/85/11/531668511.db2.gz ZOGYEGXOUHQPNC-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000155204371 531663272 /nfs/dbraw/zinc/66/32/72/531663272.db2.gz BQBZXKPYSDMMDM-CQSZACIVSA-N 1 0 384.299 2.083 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155220667 531665762 /nfs/dbraw/zinc/66/57/62/531665762.db2.gz OHIPPRZJWSXKKL-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000173271628 532001379 /nfs/dbraw/zinc/00/13/79/532001379.db2.gz QLVHTMMZYTZFQQ-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000173276574 532001469 /nfs/dbraw/zinc/00/14/69/532001469.db2.gz GTKTZAIYGULDAK-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO Cc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1Br ZINC000122125436 532057878 /nfs/dbraw/zinc/05/78/78/532057878.db2.gz VMZQRUDADWPAOS-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000175304368 532098292 /nfs/dbraw/zinc/09/82/92/532098292.db2.gz NXPUPMLRHLBSBY-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189895479 532353926 /nfs/dbraw/zinc/35/39/26/532353926.db2.gz WLHWVYYLPJWVBL-UHFFFAOYSA-N 1 0 386.905 2.443 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000590680280 532381196 /nfs/dbraw/zinc/38/11/96/532381196.db2.gz JEEVHNHIZFGAMC-OAHLLOKOSA-N 1 0 378.270 2.304 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294809537 532384522 /nfs/dbraw/zinc/38/45/22/532384522.db2.gz PPCNMIJXRPGFMJ-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955946 532392502 /nfs/dbraw/zinc/39/25/02/532392502.db2.gz YTPUIDABLJTDKM-IAQYHMDHSA-N 1 0 393.285 2.058 20 30 GEEDRO C=CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425774235 532394234 /nfs/dbraw/zinc/39/42/34/532394234.db2.gz VSSPYFVLLBMJPE-UHFFFAOYSA-N 1 0 397.317 2.030 20 30 GEEDRO C=CCN1CC[C@@H](N(C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388634 532422190 /nfs/dbraw/zinc/42/21/90/532422190.db2.gz VGOXOSJYCGHXFK-JKSUJKDBSA-N 1 0 392.297 2.421 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000592300288 532446921 /nfs/dbraw/zinc/44/69/21/532446921.db2.gz JNTVRKCLLCILRR-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000592300009 532446293 /nfs/dbraw/zinc/44/62/93/532446293.db2.gz GKLZBCBTAOXERX-ZDUSSCGKSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@@H+]1C ZINC000592767273 532462395 /nfs/dbraw/zinc/46/23/95/532462395.db2.gz SGXSAXXQADWEDG-LRDDRELGSA-N 1 0 391.313 2.356 20 30 GEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763908 532460934 /nfs/dbraw/zinc/46/09/34/532460934.db2.gz JUDZPKALQMVTEA-ZDUSSCGKSA-N 1 0 391.313 2.167 20 30 GEEDRO COCC[NH+](CCOC)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000295665327 532468164 /nfs/dbraw/zinc/46/81/64/532468164.db2.gz IVVYBHZDKQKNFV-UHFFFAOYSA-N 1 0 397.317 2.279 20 30 GEEDRO C=CCc1ccccc1OC[C@H](O)CNCc1nn(C)cc1Br ZINC000563000811 532492034 /nfs/dbraw/zinc/49/20/34/532492034.db2.gz OGHVTMNYIHGZJA-CQSZACIVSA-N 1 0 380.286 2.441 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000595075130 532542622 /nfs/dbraw/zinc/54/26/22/532542622.db2.gz WILPCGJEDZWOHQ-CYBMUJFWSA-N 1 0 393.285 2.248 20 30 GEEDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000433058428 532553448 /nfs/dbraw/zinc/55/34/48/532553448.db2.gz PUKSXTQCTPBELO-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595346322 532558061 /nfs/dbraw/zinc/55/80/61/532558061.db2.gz UIOXWJXTIZJUEQ-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)NC1CCCCCC1 ZINC000262672928 532595770 /nfs/dbraw/zinc/59/57/70/532595770.db2.gz RWCSCOWRCPGMAZ-CQSZACIVSA-N 1 0 384.571 2.386 20 30 GEEDRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435428134 532616609 /nfs/dbraw/zinc/61/66/09/532616609.db2.gz QPXNJWLTLDOFCJ-UHFFFAOYSA-N 1 0 379.507 2.081 20 30 GEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000597701277 532624855 /nfs/dbraw/zinc/62/48/55/532624855.db2.gz SACIVBKWPMFTOH-LRDDRELGSA-N 1 0 391.313 2.308 20 30 GEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000597701279 532625135 /nfs/dbraw/zinc/62/51/35/532625135.db2.gz SACIVBKWPMFTOH-WBMJQRKESA-N 1 0 391.313 2.308 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284884127 532629050 /nfs/dbraw/zinc/62/90/50/532629050.db2.gz TWWWPVCHNTTXBK-YGRLFVJLSA-N 1 0 381.274 2.285 20 30 GEEDRO Cc1ccc(I)cc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000531911111 532639344 /nfs/dbraw/zinc/63/93/44/532639344.db2.gz ZFZYTBUNWGLTAH-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000633008148 532656660 /nfs/dbraw/zinc/65/66/60/532656660.db2.gz DVIPVHIWVYPYRX-VIFPVBQESA-N 1 0 375.244 2.097 20 30 GEEDRO CS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000600741440 532680820 /nfs/dbraw/zinc/68/08/20/532680820.db2.gz NZPHVCBNTMWLKA-ZDUSSCGKSA-N 1 0 376.400 2.253 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600758036 532680953 /nfs/dbraw/zinc/68/09/53/532680953.db2.gz WJSXZNBGWCZGLS-AWEZNQCLSA-N 1 0 384.274 2.014 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCOc2ccc(I)cc2)CC1 ZINC000600740985 532681636 /nfs/dbraw/zinc/68/16/36/532681636.db2.gz MBZCBYSAVHRMNE-CYBMUJFWSA-N 1 0 386.233 2.314 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000285587196 532692890 /nfs/dbraw/zinc/69/28/90/532692890.db2.gz XGMWHNPITIZLEL-DLBZAZTESA-N 1 0 382.302 2.301 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000285587199 532693627 /nfs/dbraw/zinc/69/36/27/532693627.db2.gz XGMWHNPITIZLEL-SJORKVTESA-N 1 0 382.302 2.301 20 30 GEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1snc(Cl)c1C#N ZINC000378418685 532694427 /nfs/dbraw/zinc/69/44/27/532694427.db2.gz DEQUNAJVUULMPG-UHFFFAOYSA-N 1 0 379.921 2.464 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(F)c(Cl)c2)nc1 ZINC000574392944 532713930 /nfs/dbraw/zinc/71/39/30/532713930.db2.gz IQEKYDONWQSQHB-UHFFFAOYSA-N 1 0 383.832 2.188 20 30 GEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnnn1-c1ccccc1Br ZINC000411645142 532772051 /nfs/dbraw/zinc/77/20/51/532772051.db2.gz SGYYKQHSKAVJKY-UHFFFAOYSA-N 1 0 379.306 2.365 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000326526444 532790256 /nfs/dbraw/zinc/79/02/56/532790256.db2.gz GCDLASHSIHRMBH-DYVFJYSZSA-N 1 0 391.269 2.260 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000287582369 532800556 /nfs/dbraw/zinc/80/05/56/532800556.db2.gz WIOGJPXBUWFYAR-UHFFFAOYSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287632540 532803915 /nfs/dbraw/zinc/80/39/15/532803915.db2.gz ZPZXDOFOAZGABH-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000272818060 532818241 /nfs/dbraw/zinc/81/82/41/532818241.db2.gz FFYUODWWQCFQJW-LBPRGKRZSA-N 1 0 389.315 2.357 20 30 GEEDRO CS[C@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000330666703 532824304 /nfs/dbraw/zinc/82/43/04/532824304.db2.gz WQRWMVJSLMSMEG-CVEARBPZSA-N 1 0 378.567 2.475 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288370595 532825373 /nfs/dbraw/zinc/82/53/73/532825373.db2.gz YYDCUKJHTFMECX-SMDDNHRTSA-N 1 0 386.315 2.281 20 30 GEEDRO CCC[NH+]1CCC(NC(=O)Nc2ccncc2I)CC1 ZINC000330730509 532826278 /nfs/dbraw/zinc/82/62/78/532826278.db2.gz IJWOERQQARNGCQ-UHFFFAOYSA-N 1 0 388.253 2.308 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCN2C)cc1OCC ZINC000414964756 532836199 /nfs/dbraw/zinc/83/61/99/532836199.db2.gz MTZKDTGWEYSKAY-HNNXBMFYSA-N 1 0 398.345 2.406 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430351 532839109 /nfs/dbraw/zinc/83/91/09/532839109.db2.gz CAZRYNCMKPBEOZ-BMIGLBTASA-N 1 0 384.299 2.082 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430366 532839127 /nfs/dbraw/zinc/83/91/27/532839127.db2.gz CAZRYNCMKPBEOZ-ZUZCIYMTSA-N 1 0 384.299 2.082 20 30 GEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288943651 532842893 /nfs/dbraw/zinc/84/28/93/532842893.db2.gz XWEKSKXQJXSGJK-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415522358 532848935 /nfs/dbraw/zinc/84/89/35/532848935.db2.gz MPEKVTFICJJSQL-NWDGAFQWSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415620577 532851168 /nfs/dbraw/zinc/85/11/68/532851168.db2.gz VDCBRXHZDOTYHJ-FZMZJTMJSA-N 1 0 396.285 2.067 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415620581 532851441 /nfs/dbraw/zinc/85/14/41/532851441.db2.gz VDCBRXHZDOTYHJ-SMDDNHRTSA-N 1 0 396.285 2.067 20 30 GEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000415670017 532853056 /nfs/dbraw/zinc/85/30/56/532853056.db2.gz CPSKGEJNPANRRJ-AWEZNQCLSA-N 1 0 393.285 2.154 20 30 GEEDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000415839738 532859677 /nfs/dbraw/zinc/85/96/77/532859677.db2.gz OSHITKGEOMOZDB-VIFPVBQESA-N 1 0 375.244 2.179 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000416370368 532872531 /nfs/dbraw/zinc/87/25/31/532872531.db2.gz HJYXLHUUFWQUOF-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000420730060 532886103 /nfs/dbraw/zinc/88/61/03/532886103.db2.gz CXKCBNNCOXLVDQ-LLVKDONJSA-N 1 0 390.278 2.175 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000363736499 532900452 /nfs/dbraw/zinc/90/04/52/532900452.db2.gz HINPCYFZXVTGAF-VNQPRFMTSA-N 1 0 383.901 2.084 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000291828969 532909279 /nfs/dbraw/zinc/90/92/79/532909279.db2.gz FTOJVWTXCBIZOO-OAHLLOKOSA-N 1 0 384.299 2.037 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000292386451 532915726 /nfs/dbraw/zinc/91/57/26/532915726.db2.gz KAQYDEIPLHYMGX-SJCJKPOMSA-N 1 0 377.491 2.081 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000366641911 532919644 /nfs/dbraw/zinc/91/96/44/532919644.db2.gz DLWCASSLWHONOH-INIZCTEOSA-N 1 0 375.519 2.463 20 30 GEEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293143794 532922657 /nfs/dbraw/zinc/92/26/57/532922657.db2.gz RWYFKMBQHBDKLK-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367791691 532927329 /nfs/dbraw/zinc/92/73/29/532927329.db2.gz MDLOIIIYIYHUPN-CYBMUJFWSA-N 1 0 382.306 2.118 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367849227 532928087 /nfs/dbraw/zinc/92/80/87/532928087.db2.gz OBCINMKHJZABFE-KRWDZBQOSA-N 1 0 391.313 2.235 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000293969442 532933938 /nfs/dbraw/zinc/93/39/38/532933938.db2.gz LXRRWUZKLNZUES-HSZRJFAPSA-N 1 0 399.354 2.408 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735425702 598391838 /nfs/dbraw/zinc/39/18/38/598391838.db2.gz DTVGDVMPAHQKTL-UHFFFAOYSA-N 1 0 381.484 2.191 20 30 GEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000819892055 607146309 /nfs/dbraw/zinc/14/63/09/607146309.db2.gz RVDVGEDXVGMAQG-UHFFFAOYSA-N 1 0 388.479 2.385 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccccc1C(C)(C)C#N ZINC000825933427 608035959 /nfs/dbraw/zinc/03/59/59/608035959.db2.gz DJAZECFKSDKNBS-UHFFFAOYSA-N 1 0 379.472 2.038 20 30 GEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553270 608464571 /nfs/dbraw/zinc/46/45/71/608464571.db2.gz AVSYEEBVTXHXGH-OAHLLOKOSA-N 1 0 375.436 2.464 20 30 GEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449860052 650054401 /nfs/dbraw/zinc/05/44/01/650054401.db2.gz IHKLJKLGUOGNOC-STQMWFEESA-N 1 0 378.270 2.395 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451477859 650119138 /nfs/dbraw/zinc/11/91/38/650119138.db2.gz XYJVAVBEMHOFBN-HNNXBMFYSA-N 1 0 382.555 2.229 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Br ZINC000455451179 650304760 /nfs/dbraw/zinc/30/47/60/650304760.db2.gz DPXBPVVFCGBISC-CQSZACIVSA-N 1 0 381.274 2.289 20 30 GEEDRO C=CCSCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000513629132 650566628 /nfs/dbraw/zinc/56/66/28/650566628.db2.gz FIWYZHZHXYFXMD-UHFFFAOYSA-N 1 0 379.551 2.209 20 30 GEEDRO COc1ccc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1Br ZINC000518535351 650606182 /nfs/dbraw/zinc/60/61/82/650606182.db2.gz KRVLXBXLNVDESO-UHFFFAOYSA-N 1 0 380.286 2.494 20 30 GEEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487847299 650738750 /nfs/dbraw/zinc/73/87/50/650738750.db2.gz ZVOYDVUCOISRLF-UHFFFAOYSA-N 1 0 381.274 2.241 20 30 GEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1I ZINC000532422038 650747566 /nfs/dbraw/zinc/74/75/66/650747566.db2.gz UPPCQSKTIQKDGP-UHFFFAOYSA-N 1 0 399.232 2.018 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000101583497 643112507 /nfs/dbraw/zinc/11/25/07/643112507.db2.gz YWMISGWPMFLQRD-CQSZACIVSA-N 1 0 379.298 2.225 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000107308589 643254002 /nfs/dbraw/zinc/25/40/02/643254002.db2.gz GEKSKMVPFBCAFX-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000497763057 650840170 /nfs/dbraw/zinc/84/01/70/650840170.db2.gz KAVRCZVWFCNDBV-GJZGRUSLSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H](C)S1 ZINC000539368897 650843347 /nfs/dbraw/zinc/84/33/47/650843347.db2.gz WMFBRRHSVQEAMV-XHSDSOJGSA-N 1 0 378.567 2.283 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccccc1Br ZINC000121496375 643633569 /nfs/dbraw/zinc/63/35/69/643633569.db2.gz NABJNKXZGJBJKK-HNNXBMFYSA-N 1 0 378.274 2.224 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000122790205 643662035 /nfs/dbraw/zinc/66/20/35/643662035.db2.gz YKLMXAFZHDRFRE-UHFFFAOYSA-N 1 0 398.301 2.371 20 30 GEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498670061 650862247 /nfs/dbraw/zinc/86/22/47/650862247.db2.gz WTXFWUQJFQLWIJ-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000498739138 650863400 /nfs/dbraw/zinc/86/34/00/650863400.db2.gz OPQRKUNTYNDPMK-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(Br)cc2)c1C#N ZINC000128168830 643794695 /nfs/dbraw/zinc/79/46/95/643794695.db2.gz BXJIAKPEQLVMQV-UHFFFAOYSA-N 1 0 392.257 2.213 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177593002 644420048 /nfs/dbraw/zinc/42/00/48/644420048.db2.gz CEYUIMIMXCOUAN-LBPRGKRZSA-N 1 0 375.441 2.346 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNCCC[NH+]1CCC(O)CC1 ZINC000238136279 645450122 /nfs/dbraw/zinc/45/01/22/645450122.db2.gz SUGSXFNQUMMZGS-UHFFFAOYSA-N 1 0 381.314 2.398 20 30 GEEDRO C[NH+]=C(NCCc1ccc(F)cc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261935812 645613169 /nfs/dbraw/zinc/61/31/69/645613169.db2.gz CJSWBYQTJNMWOH-UHFFFAOYSA-N 1 0 375.897 2.106 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N1CC[C@@]2(CCOC2)C1 ZINC000261966200 645614835 /nfs/dbraw/zinc/61/48/35/645614835.db2.gz LLRIEXSHEMOBBN-QGZVFWFLSA-N 1 0 396.285 2.366 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)ccc1OC)N[C@@H]1CCN(C2CC2)C1 ZINC000262084185 645616207 /nfs/dbraw/zinc/61/62/07/645616207.db2.gz XVPZIVXKFWGYPR-CQSZACIVSA-N 1 0 381.318 2.359 20 30 GEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCSC3(CCCCC3)C2)C1 ZINC000262339421 645628372 /nfs/dbraw/zinc/62/83/72/645628372.db2.gz CHCSAWDAWBLVNG-OAHLLOKOSA-N 1 0 385.599 2.281 20 30 GEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262755440 645644471 /nfs/dbraw/zinc/64/44/71/645644471.db2.gz AXMRFCUVQRDKRX-HNNXBMFYSA-N 1 0 395.345 2.498 20 30 GEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262781731 645645426 /nfs/dbraw/zinc/64/54/26/645645426.db2.gz LEOOIZYDPQERKX-CQSZACIVSA-N 1 0 381.318 2.108 20 30 GEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262774628 645645491 /nfs/dbraw/zinc/64/54/91/645645491.db2.gz IXIFPMAWVBDKEN-AWEZNQCLSA-N 1 0 395.345 2.498 20 30 GEEDRO CCc1cnc(CNC(=[NH+]C)N2CCS(=O)(=O)C3(CCCCC3)C2)s1 ZINC000262794484 645646093 /nfs/dbraw/zinc/64/60/93/645646093.db2.gz OWUUGOSXGTZWNF-UHFFFAOYSA-N 1 0 384.571 2.214 20 30 GEEDRO [NH2+]=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1CCSCC1 ZINC000262814311 645646209 /nfs/dbraw/zinc/64/62/09/645646209.db2.gz VFQYUVPYZKTSTD-UHFFFAOYSA-N 1 0 380.315 2.498 20 30 GEEDRO COC[C@@H](C)NC(=[NH2+])NCc1c(Br)cncc1Br ZINC000263119742 645653623 /nfs/dbraw/zinc/65/36/23/645653623.db2.gz LWVAKNWDENNWBP-SSDOTTSWSA-N 1 0 380.084 2.046 20 30 GEEDRO Cc1csc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)n1 ZINC000263279270 645659648 /nfs/dbraw/zinc/65/96/48/645659648.db2.gz ZMIBBGMTQBBBPQ-AWEZNQCLSA-N 1 0 384.571 2.254 20 30 GEEDRO [NH2+]=C(NCCSc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 ZINC000263261477 645659661 /nfs/dbraw/zinc/65/96/61/645659661.db2.gz SQCCEPAPGHOPLF-UHFFFAOYSA-N 1 0 376.917 2.359 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278615233 646531166 /nfs/dbraw/zinc/53/11/66/646531166.db2.gz BWTBMFXJXWBHTQ-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000288214954 646911220 /nfs/dbraw/zinc/91/12/20/646911220.db2.gz UPTFWHIQBWZWOI-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO CS[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1[NH+](C)C ZINC000299683587 647273665 /nfs/dbraw/zinc/27/36/65/647273665.db2.gz NGONNMXWPCDRAK-GDBMZVCRSA-N 1 0 378.567 2.414 20 30 GEEDRO CS[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1[NH+](C)C ZINC000299683602 647273794 /nfs/dbraw/zinc/27/37/94/647273794.db2.gz NGONNMXWPCDRAK-ZBFHGGJFSA-N 1 0 378.567 2.414 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH+](C)C ZINC000330578693 647346339 /nfs/dbraw/zinc/34/63/39/647346339.db2.gz JNOBEMMJEZZOCG-OLZOCXBDSA-N 1 0 393.456 2.243 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000361694610 647562812 /nfs/dbraw/zinc/56/28/12/647562812.db2.gz ATSPZVXHCSYVLG-OAGGEKHMSA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367577616 647739451 /nfs/dbraw/zinc/73/94/51/647739451.db2.gz CZCGACBOWJNVPX-JKSUJKDBSA-N 1 0 393.285 2.384 20 30 GEEDRO N#Cc1ccc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000378485051 647882553 /nfs/dbraw/zinc/88/25/53/647882553.db2.gz YQYJYJHDLMTEPW-QGZVFWFLSA-N 1 0 391.313 2.235 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000408435097 647954285 /nfs/dbraw/zinc/95/42/85/647954285.db2.gz LDDYPYGOQOMNSW-GJZGRUSLSA-N 1 0 384.299 2.226 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416417156 648120230 /nfs/dbraw/zinc/12/02/30/648120230.db2.gz NDZAPBSDUADVRX-KGLIPLIRSA-N 1 0 386.315 2.472 20 30 GEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732360 648372233 /nfs/dbraw/zinc/37/22/33/648372233.db2.gz SLJUQZFSDSEQTO-IUODEOHRSA-N 1 0 389.315 2.167 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000424131001 648614523 /nfs/dbraw/zinc/61/45/23/648614523.db2.gz GAAMINBSQIGJRD-GFCCVEGCSA-N 1 0 376.507 2.268 20 30 GEEDRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2=O)ccc1Br ZINC000424172564 648615365 /nfs/dbraw/zinc/61/53/65/648615365.db2.gz NDMVALBPLRDPHX-GJZGRUSLSA-N 1 0 393.285 2.000 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443066813 648858903 /nfs/dbraw/zinc/85/89/03/648858903.db2.gz IAZBOGQLOYJWBR-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCSC1 ZINC000443375630 648874938 /nfs/dbraw/zinc/87/49/38/648874938.db2.gz UCUBSAARNFTMOW-CQSZACIVSA-N 1 0 393.456 2.293 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000552518859 651151589 /nfs/dbraw/zinc/15/15/89/651151589.db2.gz NEYHZXYJXDTTBR-HOCLYGCPSA-N 1 0 381.567 2.283 20 30 GEEDRO C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC)CC1 ZINC000558455054 651280145 /nfs/dbraw/zinc/28/01/45/651280145.db2.gz QYOSWXNEYFLQHQ-UHFFFAOYSA-N 1 0 379.306 2.374 20 30 GEEDRO Cn1c(Sc2cc(C#N)c(Br)cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000603291812 651477477 /nfs/dbraw/zinc/47/74/77/651477477.db2.gz ILKGUHRTZGJEPF-SECBINFHSA-N 1 0 379.287 2.462 20 30 GEEDRO COCC(=NNC(=S)NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000735614743 651788458 /nfs/dbraw/zinc/78/84/58/651788458.db2.gz COULCWUWKQLHFZ-UHFFFAOYSA-N 1 0 376.448 2.472 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574044797 651997166 /nfs/dbraw/zinc/99/71/66/651997166.db2.gz FHGZTBDMHLNDCE-RDJZCZTQSA-N 1 0 391.313 2.158 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000743490220 652021165 /nfs/dbraw/zinc/02/11/65/652021165.db2.gz OAPKYLHELYWMGC-UHFFFAOYSA-N 1 0 379.302 2.128 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618998171 652041481 /nfs/dbraw/zinc/04/14/81/652041481.db2.gz IMGIXWNMNIRXEF-CYBMUJFWSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000576641007 652133597 /nfs/dbraw/zinc/13/35/97/652133597.db2.gz GLQGXFNTSCRSBM-CQSZACIVSA-N 1 0 378.885 2.230 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000576980907 652160207 /nfs/dbraw/zinc/16/02/07/652160207.db2.gz YRBBAXMXPFESME-MRXNPFEDSA-N 1 0 380.535 2.366 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000577365220 652181786 /nfs/dbraw/zinc/18/17/86/652181786.db2.gz RKZUCFMBOBQSMQ-UHFFFAOYSA-N 1 0 375.519 2.500 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000748672594 652210763 /nfs/dbraw/zinc/21/07/63/652210763.db2.gz YEOJXTFHKJFZOW-UHFFFAOYSA-N 1 0 376.400 2.351 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000577887398 652226383 /nfs/dbraw/zinc/22/63/83/652226383.db2.gz PWAJJJODBJZSLD-UHFFFAOYSA-N 1 0 394.313 2.140 20 30 GEEDRO COC1CC[NH+](C2(CNS(=O)(=O)c3ccc(C#N)s3)CCCC2)CC1 ZINC000578516496 652276083 /nfs/dbraw/zinc/27/60/83/652276083.db2.gz IALBJAMFQSSAQM-UHFFFAOYSA-N 1 0 383.539 2.322 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580174973 652368999 /nfs/dbraw/zinc/36/89/99/652368999.db2.gz YTPCGGNFPJAWKB-BBRMVZONSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)n1 ZINC000580343151 652376726 /nfs/dbraw/zinc/37/67/26/652376726.db2.gz JCCRJOCKKLPQHA-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO N#Cc1cnn2c1NC[C@@H](C[NH+]1CCN(Cc3ccc(Cl)s3)CC1)C2 ZINC000580565071 652383933 /nfs/dbraw/zinc/38/39/33/652383933.db2.gz TZRLAPKVAMUNAT-ZDUSSCGKSA-N 1 0 376.917 2.329 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000583200087 652476701 /nfs/dbraw/zinc/47/67/01/652476701.db2.gz ODUHWIPCCZDOTJ-OAHLLOKOSA-N 1 0 379.302 2.269 20 30 GEEDRO N#Cc1csc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000589313576 652565445 /nfs/dbraw/zinc/56/54/45/652565445.db2.gz AZEQFHDEZIXHEQ-UHFFFAOYSA-N 1 0 376.507 2.099 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000759322876 652569214 /nfs/dbraw/zinc/56/92/14/652569214.db2.gz ASYHADNNDBLLGG-AWEZNQCLSA-N 1 0 389.253 2.284 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000590215316 652576669 /nfs/dbraw/zinc/57/66/69/652576669.db2.gz UUKHMZRAEYJAMA-UONOGXRCSA-N 1 0 391.269 2.002 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000590215315 652576712 /nfs/dbraw/zinc/57/67/12/652576712.db2.gz UUKHMZRAEYJAMA-KGLIPLIRSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC[NH+](C)CC1 ZINC000590246213 652577356 /nfs/dbraw/zinc/57/73/56/652577356.db2.gz BYWMCTWPPPRHFQ-NSHDSACASA-N 1 0 393.285 2.106 20 30 GEEDRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590248904 652577557 /nfs/dbraw/zinc/57/75/57/652577557.db2.gz GKHUPTWQAVESBY-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150959 652589432 /nfs/dbraw/zinc/58/94/32/652589432.db2.gz KYOKEWJFJIXWNB-DOMZBBRYSA-N 1 0 389.677 2.193 20 30 GEEDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593421669 652620870 /nfs/dbraw/zinc/62/08/70/652620870.db2.gz WRWMHYYQJGKVTR-UHFFFAOYSA-N 1 0 380.286 2.044 20 30 GEEDRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593507356 652623149 /nfs/dbraw/zinc/62/31/49/652623149.db2.gz XCKYFYHQTTXSIK-UHFFFAOYSA-N 1 0 393.329 2.005 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000593733474 652633870 /nfs/dbraw/zinc/63/38/70/652633870.db2.gz HMTNGMVSHBIWRF-JJRVBVJISA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000593733490 652633880 /nfs/dbraw/zinc/63/38/80/652633880.db2.gz VDIJCEADOZFSLF-KBRIMQKVSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000593733525 652633885 /nfs/dbraw/zinc/63/38/85/652633885.db2.gz WODRYNIKLWUPNG-BMFZPTHFSA-N 1 0 383.901 2.261 20 30 GEEDRO Cc1cc(NC(=O)CNC(=O)[C@H]([NH3+])CCCCC#N)ccc1Br ZINC000594439279 652650124 /nfs/dbraw/zinc/65/01/24/652650124.db2.gz PBZLIWQHYODWMU-CQSZACIVSA-N 1 0 381.274 2.224 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000598727323 652831691 /nfs/dbraw/zinc/83/16/91/652831691.db2.gz GNBBGIOMRROGAS-CYBMUJFWSA-N 1 0 378.416 2.499 20 30 GEEDRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1Br ZINC000598730089 652832009 /nfs/dbraw/zinc/83/20/09/652832009.db2.gz QVRVALXLNJEMFA-LSDHHAIUSA-N 1 0 399.329 2.499 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000599099783 652849299 /nfs/dbraw/zinc/84/92/99/652849299.db2.gz DIEUBKNFCQKJNL-CMPLNLGQSA-N 1 0 381.807 2.359 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376071 652854083 /nfs/dbraw/zinc/85/40/83/652854083.db2.gz DLZDMPZPWQUCNN-AWEZNQCLSA-N 1 0 384.933 2.439 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000599357684 652864110 /nfs/dbraw/zinc/86/41/10/652864110.db2.gz WBNIZDRWOKSYOE-SJORKVTESA-N 1 0 391.265 2.384 20 30 GEEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601427732 653094285 /nfs/dbraw/zinc/09/42/85/653094285.db2.gz FVDUSYNDIHRJDF-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C=C(Br)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769077886 653142517 /nfs/dbraw/zinc/14/25/17/653142517.db2.gz SVZOCBOFLUHFSM-JKSUJKDBSA-N 1 0 382.302 2.077 20 30 GEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000772948421 653173486 /nfs/dbraw/zinc/17/34/86/653173486.db2.gz WOFWBQPOIAMHSF-OAHLLOKOSA-N 1 0 388.917 2.131 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547494 653190618 /nfs/dbraw/zinc/19/06/18/653190618.db2.gz ZDFNFSZGYFBLNR-GJZGRUSLSA-N 1 0 393.285 2.082 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=C1CCOc2cc(Br)ccc21 ZINC000774589185 653242008 /nfs/dbraw/zinc/24/20/08/653242008.db2.gz YOHLIFYOFVFEFL-UHFFFAOYSA-N 1 0 385.331 2.352 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809459458 653272626 /nfs/dbraw/zinc/27/26/26/653272626.db2.gz YLDGXOWURSWETH-GDBMZVCRSA-N 1 0 394.313 2.038 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000874291290 653303132 /nfs/dbraw/zinc/30/31/32/653303132.db2.gz NHKTUDWNJXAHQD-LLVKDONJSA-N 1 0 378.527 2.080 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000836488171 653355933 /nfs/dbraw/zinc/35/59/33/653355933.db2.gz MXUQXWSASDZCCI-UHFFFAOYSA-N 1 0 395.301 2.032 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)nc1C ZINC000876574651 653436459 /nfs/dbraw/zinc/43/64/59/653436459.db2.gz HWLUCKWHFACAGM-UWVGGRQHSA-N 1 0 378.527 2.497 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662963 653441923 /nfs/dbraw/zinc/44/19/23/653441923.db2.gz UNOYBNAIVFXCEX-OLZOCXBDSA-N 1 0 375.778 2.397 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662965 653442043 /nfs/dbraw/zinc/44/20/43/653442043.db2.gz UNOYBNAIVFXCEX-STQMWFEESA-N 1 0 375.778 2.397 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000876894865 653452994 /nfs/dbraw/zinc/45/29/94/653452994.db2.gz YATICXVKUUSRSW-OLZOCXBDSA-N 1 0 375.778 2.175 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000837674509 653459882 /nfs/dbraw/zinc/45/98/82/653459882.db2.gz WZTCQKBIQGJIDG-UHFFFAOYSA-N 1 0 380.279 2.318 20 30 GEEDRO N#Cc1cnc(Cl)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000877029086 653461616 /nfs/dbraw/zinc/46/16/16/653461616.db2.gz PZJZBKFOWIQIBY-UHFFFAOYSA-N 1 0 396.822 2.258 20 30 GEEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878010850 653626322 /nfs/dbraw/zinc/62/63/22/653626322.db2.gz NINVZEIKVDNNMY-CQSZACIVSA-N 1 0 380.242 2.491 20 30 GEEDRO C#CCNC(=S)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000840834655 653696117 /nfs/dbraw/zinc/69/61/17/653696117.db2.gz ZDXSIOLPHVEJTO-UHFFFAOYSA-N 1 0 376.957 2.434 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000840951643 653703154 /nfs/dbraw/zinc/70/31/54/653703154.db2.gz DAPNEXWFJJTDMA-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031730 653705593 /nfs/dbraw/zinc/70/55/93/653705593.db2.gz VYZUCKQOPWVYQL-HQJQHLMTSA-N 1 0 390.612 2.178 20 30 GEEDRO CCOc1cc(Br)c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000841082419 653706075 /nfs/dbraw/zinc/70/60/75/653706075.db2.gz KXZDDWYEBVJUNY-GWCFXTLKSA-N 1 0 397.273 2.480 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000863563217 653715645 /nfs/dbraw/zinc/71/56/45/653715645.db2.gz OURHGVYDIPKQBD-IAGOWNOFSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000818588980 653734084 /nfs/dbraw/zinc/73/40/84/653734084.db2.gz LPXMBZZGWHWGGL-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(F)c(F)cc1I ZINC000818609065 653734920 /nfs/dbraw/zinc/73/49/20/653734920.db2.gz JBNZGTPYHCOACF-UHFFFAOYSA-N 1 0 392.187 2.254 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000787627399 653741095 /nfs/dbraw/zinc/74/10/95/653741095.db2.gz QMCSPDSFPFRZDQ-INIZCTEOSA-N 1 0 396.329 2.081 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+]1CCCCC1 ZINC000842202448 653747426 /nfs/dbraw/zinc/74/74/26/653747426.db2.gz NEYXOCMGHPGSTA-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000819271920 653747818 /nfs/dbraw/zinc/74/78/18/653747818.db2.gz XRRDEJVHGTWEMZ-ZDUSSCGKSA-N 1 0 388.990 2.201 20 30 GEEDRO C#CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819736811 653756778 /nfs/dbraw/zinc/75/67/78/653756778.db2.gz PXVKAOFAMAULAA-ZDUSSCGKSA-N 1 0 382.302 2.424 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789404484 653774280 /nfs/dbraw/zinc/77/42/80/653774280.db2.gz VZDHLKJHGYJVGE-CYBMUJFWSA-N 1 0 382.258 2.035 20 30 GEEDRO C#C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000820610646 653777888 /nfs/dbraw/zinc/77/78/88/653777888.db2.gz CKTYFQYCWAUMPM-QGZVFWFLSA-N 1 0 395.345 2.306 20 30 GEEDRO C#C[C@H](NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820612712 653778448 /nfs/dbraw/zinc/77/84/48/653778448.db2.gz ZYGUMJMVEWENBA-ZQIUZPCESA-N 1 0 394.313 2.220 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194377 653802995 /nfs/dbraw/zinc/80/29/95/653802995.db2.gz FWHZRZMICDMSPV-IAQYHMDHSA-N 1 0 376.869 2.146 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194054 653803092 /nfs/dbraw/zinc/80/30/92/653803092.db2.gz VTYJDYDHHWYWFH-BXUZGUMPSA-N 1 0 391.294 2.343 20 30 GEEDRO N#Cc1cnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Br)c1 ZINC000882812755 653810451 /nfs/dbraw/zinc/81/04/51/653810451.db2.gz XYAYRHSGGHWRBK-UHFFFAOYSA-N 1 0 392.301 2.026 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866810377 653830616 /nfs/dbraw/zinc/83/06/16/653830616.db2.gz VNAAABLMTOZOIP-ZSBIGDGJSA-N 1 0 384.299 2.130 20 30 GEEDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000883611163 653847736 /nfs/dbraw/zinc/84/77/36/653847736.db2.gz PRIFNIXIIHWJFU-IUCAKERBSA-N 1 0 375.244 2.204 20 30 GEEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000846279203 653894465 /nfs/dbraw/zinc/89/44/65/653894465.db2.gz XCPJIWIRENUHSH-OKILXGFUSA-N 1 0 394.313 2.431 20 30 GEEDRO N#Cc1ccc(NCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)nc1 ZINC000897396587 653919192 /nfs/dbraw/zinc/91/91/92/653919192.db2.gz NYWPAIKMUMTQOZ-UHFFFAOYSA-N 1 0 378.889 2.101 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H]2CCN2C(C)(C)C)c(=O)c1C#N ZINC000897597823 653929089 /nfs/dbraw/zinc/92/90/89/653929089.db2.gz BBYYVEVWDACHJW-GFCCVEGCSA-N 1 0 381.274 2.042 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCN2C(C)(C)C)c(=O)c1C#N ZINC000897597824 653929115 /nfs/dbraw/zinc/92/91/15/653929115.db2.gz BBYYVEVWDACHJW-LBPRGKRZSA-N 1 0 381.274 2.042 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000867581206 653955935 /nfs/dbraw/zinc/95/59/35/653955935.db2.gz KASTZVOVEMKTFS-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000848566636 653987798 /nfs/dbraw/zinc/98/77/98/653987798.db2.gz CUPQLAIWHMXWRM-AWEZNQCLSA-N 1 0 375.270 2.237 20 30 GEEDRO C#CCN(C(=O)c1nc(Br)c2ccccn21)C1CC[NH+](C)CC1 ZINC000886571108 653992076 /nfs/dbraw/zinc/99/20/76/653992076.db2.gz JJNUZMISZPNMNX-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C#CCN(C(=O)COc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC000886574869 653992459 /nfs/dbraw/zinc/99/24/59/653992459.db2.gz WURGWRUOOHDMDV-UHFFFAOYSA-N 1 0 390.281 2.256 20 30 GEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662708 653994283 /nfs/dbraw/zinc/99/42/83/653994283.db2.gz KGVQRULRMWPJJI-ZBFHGGJFSA-N 1 0 397.338 2.355 20 30 GEEDRO C#CCC1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCOCC1 ZINC000887123602 654020963 /nfs/dbraw/zinc/02/09/63/654020963.db2.gz WKHRKAHEAIOJJT-UHFFFAOYSA-N 1 0 376.254 2.119 20 30 GEEDRO C[NH+]1CCC(NCc2cn(Cc3ccc(C#N)cc3Br)nn2)CC1 ZINC000900559821 654069616 /nfs/dbraw/zinc/06/96/16/654069616.db2.gz GVIKENSTHYNUOD-UHFFFAOYSA-N 1 0 389.301 2.144 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000903496263 654241577 /nfs/dbraw/zinc/24/15/77/654241577.db2.gz ZUBQOBBBFULJMH-INIZCTEOSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000903497367 654242050 /nfs/dbraw/zinc/24/20/50/654242050.db2.gz GZOZMSUVXXDXPB-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000903496264 654242071 /nfs/dbraw/zinc/24/20/71/654242071.db2.gz ZUBQOBBBFULJMH-MRXNPFEDSA-N 1 0 398.326 2.473 20 30 GEEDRO N#CCSCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533105 654246910 /nfs/dbraw/zinc/24/69/10/654246910.db2.gz UQWWTEMNKRZCHS-UHFFFAOYSA-N 1 0 391.282 2.166 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000903572238 654258349 /nfs/dbraw/zinc/25/83/49/654258349.db2.gz KEANRACSUXMWBE-GHMZBOCLSA-N 1 0 387.305 2.087 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CCOCC1 ZINC000872234604 654318596 /nfs/dbraw/zinc/31/85/96/654318596.db2.gz DHLYJQCTGZJHCF-KGLIPLIRSA-N 1 0 395.297 2.414 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479446 654328762 /nfs/dbraw/zinc/32/87/62/654328762.db2.gz DNJVHPXEKDAZGB-SKDRFNHKSA-N 1 0 379.283 2.219 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[NH+]1CCCCC1 ZINC000804961101 654328912 /nfs/dbraw/zinc/32/89/12/654328912.db2.gz IELDXBYNIUGCMV-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834505672 654330775 /nfs/dbraw/zinc/33/07/75/654330775.db2.gz MQOWDSKMCQAIIS-JSGCOSHPSA-N 1 0 378.263 2.388 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505764 654330841 /nfs/dbraw/zinc/33/08/41/654330841.db2.gz NQJHZAABAWUKEX-WPRPVWTQSA-N 1 0 378.148 2.189 20 30 GEEDRO C[C@](O)(C[NH2+]CC1(OCCO)CCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000905388257 654354995 /nfs/dbraw/zinc/35/49/95/654354995.db2.gz DEPNWCNEJJNYDQ-JTQLQIEISA-N 1 0 385.320 2.482 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(I)cc1 ZINC000834956968 654355878 /nfs/dbraw/zinc/35/58/78/654355878.db2.gz FBGPOVFDFAYNQP-UHFFFAOYSA-N 1 0 390.294 2.041 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000922023153 654355970 /nfs/dbraw/zinc/35/59/70/654355970.db2.gz AEDFMMDNGJHWGT-UHFFFAOYSA-N 1 0 385.873 2.275 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000922021706 654356076 /nfs/dbraw/zinc/35/60/76/654356076.db2.gz DBULSFVEZQTDLP-UHFFFAOYSA-N 1 0 389.836 2.105 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000922025362 654356828 /nfs/dbraw/zinc/35/68/28/654356828.db2.gz GTKCIJLUIFKRMP-UHFFFAOYSA-N 1 0 385.327 2.476 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccsc1Br ZINC000922025835 654356943 /nfs/dbraw/zinc/35/69/43/654356943.db2.gz OWIIQXZYVXPWHK-UHFFFAOYSA-N 1 0 391.356 2.370 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000835120115 654363020 /nfs/dbraw/zinc/36/30/20/654363020.db2.gz YNJASSRMNWAWOI-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO C#CC[N@@H+](C)CCCNCc1nc(Br)c(Br)n1CC ZINC000922146674 654371955 /nfs/dbraw/zinc/37/19/55/654371955.db2.gz ATJXKKACKOZFMD-UHFFFAOYSA-N 1 0 392.139 2.473 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000922360769 654386490 /nfs/dbraw/zinc/38/64/90/654386490.db2.gz NFAARCIDNBLOIW-OAHLLOKOSA-N 1 0 396.260 2.419 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663568 654387299 /nfs/dbraw/zinc/38/72/99/654387299.db2.gz KJUOYOPQBMSRQS-LSDHHAIUSA-N 1 0 384.299 2.178 20 30 GEEDRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000873111056 654416270 /nfs/dbraw/zinc/41/62/70/654416270.db2.gz DAPFLXRAUYUARJ-UHFFFAOYSA-N 1 0 381.274 2.237 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000855698142 654434579 /nfs/dbraw/zinc/43/45/79/654434579.db2.gz LNOMUHKKAIDXLM-MRXNPFEDSA-N 1 0 393.281 2.125 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000923508846 654458440 /nfs/dbraw/zinc/45/84/40/654458440.db2.gz XFCJXNASHHEMGM-CGTJXYLNSA-N 1 0 388.309 2.484 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000923935213 654489654 /nfs/dbraw/zinc/48/96/54/654489654.db2.gz BOBVXCBGJSIPJF-FGTMMUONSA-N 1 0 388.309 2.484 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063743 654505749 /nfs/dbraw/zinc/50/57/49/654505749.db2.gz RTBWLAVRBCKUPZ-BLLLJJGKSA-N 1 0 398.326 2.426 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219512 654563569 /nfs/dbraw/zinc/56/35/69/654563569.db2.gz POIOKUYOWSGWMG-WRWORJQWSA-N 1 0 390.612 2.178 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000907940235 654591462 /nfs/dbraw/zinc/59/14/62/654591462.db2.gz NIRHUTGFJLTLOK-UHFFFAOYSA-N 1 0 388.331 2.224 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000927933084 654622346 /nfs/dbraw/zinc/62/23/46/654622346.db2.gz YOUFPBBBRGOPPS-KRWDZBQOSA-N 1 0 391.269 2.004 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000928653394 654654382 /nfs/dbraw/zinc/65/43/82/654654382.db2.gz KYWPGIRMDQWANJ-UHFFFAOYSA-N 1 0 393.281 2.244 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000928657020 654654831 /nfs/dbraw/zinc/65/48/31/654654831.db2.gz MLLOVFIHSHZABN-LBPRGKRZSA-N 1 0 382.291 2.326 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(I)cc2OC)CC1 ZINC000928659846 654655114 /nfs/dbraw/zinc/65/51/14/654655114.db2.gz AIHNAWLQGNPXFI-UHFFFAOYSA-N 1 0 398.244 2.127 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909885670 654680635 /nfs/dbraw/zinc/68/06/35/654680635.db2.gz VCENLUCNDRMNLB-UHFFFAOYSA-N 1 0 382.302 2.446 20 30 GEEDRO N#CC[C@@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000929801710 654692244 /nfs/dbraw/zinc/69/22/44/654692244.db2.gz XSKSGKLZANONNJ-GFCCVEGCSA-N 1 0 386.233 2.409 20 30 GEEDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(C#N)cc3I)C[C@H]2C1 ZINC000932547365 654780931 /nfs/dbraw/zinc/78/09/31/654780931.db2.gz JVCUKZFGTZQERN-TXEJJXNPSA-N 1 0 396.232 2.188 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@@H]2C1 ZINC000932548095 654781083 /nfs/dbraw/zinc/78/10/83/654781083.db2.gz YYEDQIYAQHGKJX-SMDDNHRTSA-N 1 0 396.232 2.331 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000933355023 654810131 /nfs/dbraw/zinc/81/01/31/654810131.db2.gz MVNLEUURTJWLOX-GOSISDBHSA-N 1 0 397.288 2.400 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438350 654813415 /nfs/dbraw/zinc/81/34/15/654813415.db2.gz VQUXNZJAZYRYQI-MSOLQXFVSA-N 1 0 396.329 2.387 20 30 GEEDRO C[C@@H]1CSCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000934304878 654843568 /nfs/dbraw/zinc/84/35/68/654843568.db2.gz UWLLKJWRPIMXES-CVEARBPZSA-N 1 0 378.567 2.284 20 30 GEEDRO N#Cc1cc(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000914325063 654845228 /nfs/dbraw/zinc/84/52/28/654845228.db2.gz ZRWRJDUGPALZSX-UHFFFAOYSA-N 1 0 376.507 2.351 20 30 GEEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1C#N)CC2 ZINC001164711041 720095661 /nfs/dbraw/zinc/09/56/61/720095661.db2.gz NKCYQUKMSZLHHZ-SFHVURJKSA-N 1 0 378.480 2.251 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH]ccc3ncc(C#N)c1-3)CCC2 ZINC001164813346 720232252 /nfs/dbraw/zinc/23/22/52/720232252.db2.gz NEKRXALCSJLSDK-UHFFFAOYSA-N 1 0 391.479 2.242 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001164827046 720322956 /nfs/dbraw/zinc/32/29/56/720322956.db2.gz GMFIISYPUBBNNY-MOPGFXCFSA-N 1 0 392.507 2.346 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001164830788 720335236 /nfs/dbraw/zinc/33/52/36/720335236.db2.gz PXTRLVWAWSOMTL-VQTJNVASSA-N 1 0 392.507 2.346 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCC3)CC1 ZINC001164821458 720338713 /nfs/dbraw/zinc/33/87/13/720338713.db2.gz AIQGYRJMKIQDTB-SFTDATJTSA-N 1 0 393.535 2.353 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@@H]21 ZINC001164834035 720533456 /nfs/dbraw/zinc/53/34/56/720533456.db2.gz CIAYRFVITLBUCL-NEWSRXKRSA-N 1 0 395.467 2.436 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(C#N)c[nH]c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840249 720581611 /nfs/dbraw/zinc/58/16/11/720581611.db2.gz PHLHRLZVZFOARX-VDZJLULYSA-N 1 0 390.495 2.404 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]2C1 ZINC001164865106 720872754 /nfs/dbraw/zinc/87/27/54/720872754.db2.gz YKTPXAPCINFHNP-CTNGQTDRSA-N 1 0 393.491 2.189 20 30 GEEDRO N#Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164865777 721086694 /nfs/dbraw/zinc/08/66/94/721086694.db2.gz PLAGITLFKMTQLQ-ZWKOTPCHSA-N 1 0 394.866 2.353 20 30 GEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@@H]3C2)cn1 ZINC001164769883 721128715 /nfs/dbraw/zinc/12/87/15/721128715.db2.gz PXTGGJFGQONMHB-YOEHRIQHSA-N 1 0 381.871 2.170 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889836 721418234 /nfs/dbraw/zinc/41/82/34/721418234.db2.gz RQEVOBHHEUFGNS-AVRDEDQJSA-N 1 0 394.523 2.200 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893822 721438586 /nfs/dbraw/zinc/43/85/86/721438586.db2.gz KSZIIAHQFHDRMC-UNMCSNQZSA-N 1 0 383.540 2.222 20 30 GEEDRO N#Cc1nc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N ZINC001164903850 721534412 /nfs/dbraw/zinc/53/44/12/721534412.db2.gz DGWYYRBOWSPNJI-ZFWWWQNUSA-N 1 0 398.829 2.354 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906046 721553760 /nfs/dbraw/zinc/55/37/60/721553760.db2.gz IJVBAPDTKIAORW-PKOBYXMFSA-N 1 0 396.466 2.478 20 30 GEEDRO N#CCc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961706 722058849 /nfs/dbraw/zinc/05/88/49/722058849.db2.gz OKTOYTWRWVHAJJ-UHFFFAOYSA-N 1 0 378.480 2.057 20 30 GEEDRO N#Cc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981753 722106652 /nfs/dbraw/zinc/10/66/52/722106652.db2.gz MFPUMOHTQGPUTM-NVXWUHKLSA-N 1 0 384.871 2.124 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(F)cc1C#N)CCC2 ZINC001165001719 722250579 /nfs/dbraw/zinc/25/05/79/722250579.db2.gz UCKVGYNIZBUQPA-UHFFFAOYSA-N 1 0 392.866 2.431 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159782346 531794225 /nfs/dbraw/zinc/79/42/25/531794225.db2.gz MRFIDHLOTSPZRN-RTXFEEFZSA-N 1 0 382.258 2.163 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000173324196 532004296 /nfs/dbraw/zinc/00/42/96/532004296.db2.gz JUNKLCJIFFKIQE-SUMWQHHRSA-N 1 0 376.507 2.376 20 30 GEEDRO CC(C)NC(=O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120990139 532006396 /nfs/dbraw/zinc/00/63/96/532006396.db2.gz UGSZMCOVGWXWTA-MRXNPFEDSA-N 1 0 379.302 2.156 20 30 GEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)o1 ZINC000174340989 532061445 /nfs/dbraw/zinc/06/14/45/532061445.db2.gz NIZXCWIAEFQUBE-LBPRGKRZSA-N 1 0 398.200 2.285 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000131475965 532198030 /nfs/dbraw/zinc/19/80/30/532198030.db2.gz RLUOOMUPTTVJRJ-UHFFFAOYSA-N 1 0 386.265 2.145 20 30 GEEDRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000294908285 532390811 /nfs/dbraw/zinc/39/08/11/532390811.db2.gz SBMDCXHZQJSLJE-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000192179810 532391851 /nfs/dbraw/zinc/39/18/51/532391851.db2.gz DOSKWOSYWGJFIV-HOTGVXAUSA-N 1 0 378.567 2.284 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)ccc(Br)c1C#N ZINC000425745585 532392126 /nfs/dbraw/zinc/39/21/26/532392126.db2.gz SPHCEOGCOWCMTL-SNVBAGLBSA-N 1 0 381.274 2.024 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc(Br)c1C#N ZINC000425792005 532397058 /nfs/dbraw/zinc/39/70/58/532397058.db2.gz XQMIRRSOZMZYRM-NSHDSACASA-N 1 0 395.301 2.413 20 30 GEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328758 532409102 /nfs/dbraw/zinc/40/91/02/532409102.db2.gz PLPFTGGCJGYOSY-INIZCTEOSA-N 1 0 398.326 2.427 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC[NH+](C)CC1 ZINC000591413679 532410630 /nfs/dbraw/zinc/41/06/30/532410630.db2.gz LTFAVAGRZMJYPX-NSHDSACASA-N 1 0 393.285 2.106 20 30 GEEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1cc(Br)cc3c1OCC3)C2 ZINC000517567271 532420265 /nfs/dbraw/zinc/42/02/65/532420265.db2.gz IETIEEBMKYGJBY-LLVKDONJSA-N 1 0 388.269 2.284 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194176828 532444612 /nfs/dbraw/zinc/44/46/12/532444612.db2.gz RXGSBNAENJHYAS-INIZCTEOSA-N 1 0 380.286 2.447 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000518843017 532446651 /nfs/dbraw/zinc/44/66/51/532446651.db2.gz QDFOINXITSDNBN-PBHICJAKSA-N 1 0 376.507 2.376 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592374906 532452007 /nfs/dbraw/zinc/45/20/07/532452007.db2.gz PLYZXGRLUHTJFL-SWLSCSKDSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Br ZINC000592375571 532452418 /nfs/dbraw/zinc/45/24/18/532452418.db2.gz XPTZMKZXWNNVMF-CZUORRHYSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000592796445 532466623 /nfs/dbraw/zinc/46/66/23/532466623.db2.gz XDCBDHXWILBMMM-UHFFFAOYSA-N 1 0 389.297 2.135 20 30 GEEDRO C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C[NH+](C)C ZINC000592800618 532466657 /nfs/dbraw/zinc/46/66/57/532466657.db2.gz CIELPPGMHXMFLN-GFCCVEGCSA-N 1 0 379.302 2.071 20 30 GEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593166153 532472716 /nfs/dbraw/zinc/47/27/16/532472716.db2.gz MMCZHEGUMYLALB-DLBZAZTESA-N 1 0 392.297 2.185 20 30 GEEDRO CC[NH+](CC)CCOCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593605138 532490396 /nfs/dbraw/zinc/49/03/96/532490396.db2.gz XXTYUNSLNIWLAL-UHFFFAOYSA-N 1 0 382.302 2.338 20 30 GEEDRO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000593638313 532491324 /nfs/dbraw/zinc/49/13/24/532491324.db2.gz QQJLWVJOISKYMP-ZDUSSCGKSA-N 1 0 394.313 2.167 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283573908 532545522 /nfs/dbraw/zinc/54/55/22/532545522.db2.gz QODYOGNWFJSUMT-GXFFZTMASA-N 1 0 382.258 2.263 20 30 GEEDRO NC(=NOCc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000283761837 532555367 /nfs/dbraw/zinc/55/53/67/532555367.db2.gz BAHSXKUQMDRTSS-GFCCVEGCSA-N 1 0 381.230 2.391 20 30 GEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000595195071 532549657 /nfs/dbraw/zinc/54/96/57/532549657.db2.gz YJSLQJQJTRYIHH-GFCCVEGCSA-N 1 0 393.285 2.168 20 30 GEEDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000566560812 532616993 /nfs/dbraw/zinc/61/69/93/532616993.db2.gz GLGQFZRQBCVYPO-FUNVUKJBSA-N 1 0 384.299 2.224 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000474169336 532609458 /nfs/dbraw/zinc/60/94/58/532609458.db2.gz BOJDGGWKWPNTMW-CQSZACIVSA-N 1 0 385.917 2.333 20 30 GEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673754 532623832 /nfs/dbraw/zinc/62/38/32/532623832.db2.gz ZHOUQCIVLKYNAU-QWHCGFSZSA-N 1 0 398.301 2.077 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298114307 532626487 /nfs/dbraw/zinc/62/64/87/532626487.db2.gz AKIURNKNVHLDSJ-INIZCTEOSA-N 1 0 382.302 2.079 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567734319 532660049 /nfs/dbraw/zinc/66/00/49/532660049.db2.gz CNJMVFHEQQAEAW-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](C)[NH+](C)C ZINC000298506393 532654808 /nfs/dbraw/zinc/65/48/08/532654808.db2.gz MZGWCTVEGSHJDA-LLVKDONJSA-N 1 0 384.274 2.165 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000378250141 532686416 /nfs/dbraw/zinc/68/64/16/532686416.db2.gz IBTZJWWDJOAGSN-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000600721178 532679374 /nfs/dbraw/zinc/67/93/74/532679374.db2.gz AXQGSSCBRXBLTL-OAHLLOKOSA-N 1 0 380.286 2.213 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285443749 532680742 /nfs/dbraw/zinc/68/07/42/532680742.db2.gz ILGKBCWSYCCCFU-UHFFFAOYSA-N 1 0 386.257 2.196 20 30 GEEDRO N#Cc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)c(C(F)(F)F)c1 ZINC000569512153 532696919 /nfs/dbraw/zinc/69/69/19/532696919.db2.gz BXEDSROAJKEKEH-UHFFFAOYSA-N 1 0 375.416 2.386 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495692 532717341 /nfs/dbraw/zinc/71/73/41/532717341.db2.gz QQMULBQTUAMZSY-UHFFFAOYSA-N 1 0 384.307 2.419 20 30 GEEDRO CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000299439746 532717588 /nfs/dbraw/zinc/71/75/88/532717588.db2.gz VTMXIVOKJDRUBK-OWCLPIDISA-N 1 0 376.551 2.237 20 30 GEEDRO C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[N@@H+]1CCO ZINC000440656911 532719513 /nfs/dbraw/zinc/71/95/13/532719513.db2.gz CMEUZOOGXWTNOV-GFCCVEGCSA-N 1 0 375.270 2.372 20 30 GEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000582810890 532762105 /nfs/dbraw/zinc/76/21/05/532762105.db2.gz XWCZFGKCGRJPDN-UHFFFAOYSA-N 1 0 392.294 2.326 20 30 GEEDRO COC(=O)[C@@H]1CSCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000412086661 532785481 /nfs/dbraw/zinc/78/54/81/532785481.db2.gz VFFBNIRGNIQOJJ-ZDUSSCGKSA-N 1 0 381.885 2.378 20 30 GEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050406 532780878 /nfs/dbraw/zinc/78/08/78/532780878.db2.gz ABRNRUSVLKXJSB-GFCCVEGCSA-N 1 0 380.290 2.078 20 30 GEEDRO O=C(CN1CCSC[C@@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000329610143 532809523 /nfs/dbraw/zinc/80/95/23/532809523.db2.gz BYNUFMRQLLMAOJ-KRWDZBQOSA-N 1 0 381.567 2.233 20 30 GEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC(O)(C(F)F)CC1 ZINC000330248018 532816461 /nfs/dbraw/zinc/81/64/61/532816461.db2.gz MACBYQWMCKJQDZ-UHFFFAOYSA-N 1 0 377.501 2.354 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000330481656 532819353 /nfs/dbraw/zinc/81/93/53/532819353.db2.gz RZZNOJMSKHVSOF-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677140 532824935 /nfs/dbraw/zinc/82/49/35/532824935.db2.gz UXAONPWNDBIAOL-NWDGAFQWSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)ncc1F ZINC000273824926 532835262 /nfs/dbraw/zinc/83/52/62/532835262.db2.gz DSLROTIUJQZAPT-IRUFBXEESA-N 1 0 383.221 2.160 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600590 532841704 /nfs/dbraw/zinc/84/17/04/532841704.db2.gz ZEFMPTZJBMQHBR-YGRLFVJLSA-N 1 0 384.299 2.082 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415424800 532845173 /nfs/dbraw/zinc/84/51/73/532845173.db2.gz IVDJSYKDJRTQCM-CYBMUJFWSA-N 1 0 398.301 2.442 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415434543 532845392 /nfs/dbraw/zinc/84/53/92/532845392.db2.gz INCFYKGWULYJJM-AAEUAGOBSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415522360 532848905 /nfs/dbraw/zinc/84/89/05/532848905.db2.gz MPEKVTFICJJSQL-VXGBXAGGSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415651963 532852343 /nfs/dbraw/zinc/85/23/43/532852343.db2.gz HAHSSRKLXGKXRA-AAEUAGOBSA-N 1 0 396.285 2.067 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333867752 532874596 /nfs/dbraw/zinc/87/45/96/532874596.db2.gz RJPSFQPIKIKFPK-WFASDCNBSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000363736496 532900573 /nfs/dbraw/zinc/90/05/73/532900573.db2.gz HINPCYFZXVTGAF-BMFZPTHFSA-N 1 0 383.901 2.084 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000363736497 532900654 /nfs/dbraw/zinc/90/06/54/532900654.db2.gz HINPCYFZXVTGAF-FVQBIDKESA-N 1 0 383.901 2.084 20 30 GEEDRO C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000292686729 532917676 /nfs/dbraw/zinc/91/76/76/532917676.db2.gz CCXJATLIIIJKLM-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCCC1 ZINC000293090279 532922029 /nfs/dbraw/zinc/92/20/29/532922029.db2.gz RDQOZPYNGRLQHK-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292931916 532919894 /nfs/dbraw/zinc/91/98/94/532919894.db2.gz CORVUKDRRFTGEO-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293027670 532921464 /nfs/dbraw/zinc/92/14/64/532921464.db2.gz IRYDPDZFCDJKES-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293265251 532924275 /nfs/dbraw/zinc/92/42/75/532924275.db2.gz DOWMAHFMJNGKGQ-UHFFFAOYSA-N 1 0 391.269 2.026 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000293455650 532927043 /nfs/dbraw/zinc/92/70/43/532927043.db2.gz SYIOVJAVTJNPKL-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293536490 532928406 /nfs/dbraw/zinc/92/84/06/532928406.db2.gz XLZDXSDBPYBJPU-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[N@@H+]1C1CC1 ZINC000294052020 532935183 /nfs/dbraw/zinc/93/51/83/532935183.db2.gz JNSHDOYVTFTKDK-ZWNOBZJWSA-N 1 0 391.269 2.001 20 30 GEEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000371732487 532949550 /nfs/dbraw/zinc/94/95/50/532949550.db2.gz ILVGZKBRBHTTQD-HOCLYGCPSA-N 1 0 385.555 2.031 20 30 GEEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)ccc1OC ZINC000275465694 570693986 /nfs/dbraw/zinc/69/39/86/570693986.db2.gz HMHFEJODMRDDFH-UTKZUKDTSA-N 1 0 384.480 2.493 20 30 GEEDRO CC(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000819772952 607254784 /nfs/dbraw/zinc/25/47/84/607254784.db2.gz NKCGUAOQVHBKQC-UHFFFAOYSA-N 1 0 377.452 2.217 20 30 GEEDRO C[NH+](C)Cc1ccc(C(N)=NOCCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821587274 606178355 /nfs/dbraw/zinc/17/83/55/606178355.db2.gz OKAOYSGWVVZXSJ-UHFFFAOYSA-N 1 0 395.467 2.034 20 30 GEEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000821587228 606178575 /nfs/dbraw/zinc/17/85/75/606178575.db2.gz MQTSKYQNXFIVBM-UHFFFAOYSA-N 1 0 390.451 2.018 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(C#N)cs1 ZINC000821586259 606494387 /nfs/dbraw/zinc/49/43/87/606494387.db2.gz QGUNSRREOWXSIG-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO O=[N+]([O-])c1cccnc1N=NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823646906 607037538 /nfs/dbraw/zinc/03/75/38/607037538.db2.gz CNCWPBZKFIZMGO-UHFFFAOYSA-N 1 0 393.411 2.234 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)c(C#N)n1 ZINC000821586224 607114221 /nfs/dbraw/zinc/11/42/21/607114221.db2.gz OTWBWVSYCRKZCP-UHFFFAOYSA-N 1 0 382.859 2.355 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586239 607114405 /nfs/dbraw/zinc/11/44/05/607114405.db2.gz PNITXJPFNQITPL-UHFFFAOYSA-N 1 0 382.859 2.355 20 30 GEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553741 608486986 /nfs/dbraw/zinc/48/69/86/608486986.db2.gz GOJPHSHNKXSSOU-HNNXBMFYSA-N 1 0 375.436 2.464 20 30 GEEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381700 608555732 /nfs/dbraw/zinc/55/57/32/608555732.db2.gz VPUDVPDTSKWIOX-IEBWSBKVSA-N 1 0 378.436 2.241 20 30 GEEDRO C=CC[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823919809 608633515 /nfs/dbraw/zinc/63/35/15/608633515.db2.gz RRYMIBCIIVDLGM-UHFFFAOYSA-N 1 0 398.492 2.426 20 30 GEEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000824776995 609142445 /nfs/dbraw/zinc/14/24/45/609142445.db2.gz GOQYKRGNIJTESX-UHFFFAOYSA-N 1 0 385.497 2.371 20 30 GEEDRO N#CC1(NC(=O)c2cccc(-c3nn[nH]n3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000826379926 609345137 /nfs/dbraw/zinc/34/51/37/609345137.db2.gz HBFHZWIQSXRCLO-UHFFFAOYSA-N 1 0 387.447 2.155 20 30 GEEDRO N#CC1(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000826379934 609345288 /nfs/dbraw/zinc/34/52/88/609345288.db2.gz HGTDPOXZIIBDST-UHFFFAOYSA-N 1 0 387.447 2.155 20 30 GEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975669 650027853 /nfs/dbraw/zinc/02/78/53/650027853.db2.gz INMDJINMNHUABB-AWEZNQCLSA-N 1 0 393.329 2.324 20 30 GEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449206533 650034284 /nfs/dbraw/zinc/03/42/84/650034284.db2.gz PZJNHTSQSSWIEC-QWHCGFSZSA-N 1 0 385.302 2.237 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1cccc(Br)c1C#N ZINC000449803752 650050892 /nfs/dbraw/zinc/05/08/92/650050892.db2.gz KYCTVTDPCAEFKI-UHFFFAOYSA-N 1 0 393.285 2.394 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc(Br)c1C#N ZINC000449930952 650056105 /nfs/dbraw/zinc/05/61/05/650056105.db2.gz NPWXLRUNTNTKDS-DOMZBBRYSA-N 1 0 380.286 2.498 20 30 GEEDRO C[NH+](C)[C@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCSC1 ZINC000450046859 650059072 /nfs/dbraw/zinc/05/90/72/650059072.db2.gz TYFYTPUVHRMKLP-INIZCTEOSA-N 1 0 398.326 2.253 20 30 GEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)COc1cccc(Br)c1C#N ZINC000450080189 650059544 /nfs/dbraw/zinc/05/95/44/650059544.db2.gz AUKHHVQULBXEKC-ZDUSSCGKSA-N 1 0 398.301 2.173 20 30 GEEDRO N#Cc1cc(Br)cnc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000450543836 650067127 /nfs/dbraw/zinc/06/71/27/650067127.db2.gz YHLSPOUGCHJIJW-UHFFFAOYSA-N 1 0 380.290 2.120 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452096967 650173063 /nfs/dbraw/zinc/17/30/63/650173063.db2.gz PJNXWCPWPSLKNJ-CYBMUJFWSA-N 1 0 384.468 2.061 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1Br ZINC000455451177 650304697 /nfs/dbraw/zinc/30/46/97/650304697.db2.gz DPXBPVVFCGBISC-AWEZNQCLSA-N 1 0 381.274 2.289 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000500630664 650381595 /nfs/dbraw/zinc/38/15/95/650381595.db2.gz HDROSOITLKQMFR-NSHDSACASA-N 1 0 391.269 2.026 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000501043684 650386666 /nfs/dbraw/zinc/38/66/66/650386666.db2.gz DJAMVKBXTNVQTF-QGZVFWFLSA-N 1 0 394.313 2.173 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000515367485 650592595 /nfs/dbraw/zinc/59/25/95/650592595.db2.gz UXIFIVBHBNGQND-JTQLQIEISA-N 1 0 390.278 2.080 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000480734536 650629912 /nfs/dbraw/zinc/62/99/12/650629912.db2.gz QKHQYVNUWCLIMV-DLBZAZTESA-N 1 0 383.514 2.039 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000532166857 650745576 /nfs/dbraw/zinc/74/55/76/650745576.db2.gz MOOFBGAJNYYKGD-UHFFFAOYSA-N 1 0 387.196 2.148 20 30 GEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)C ZINC000497897131 650841152 /nfs/dbraw/zinc/84/11/52/650841152.db2.gz HTWVRNTUSXVMQX-UHFFFAOYSA-N 1 0 395.301 2.494 20 30 GEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)C(C)C ZINC000498353291 650854731 /nfs/dbraw/zinc/85/47/31/650854731.db2.gz JWSXNZYVGJARCO-AWEZNQCLSA-N 1 0 385.555 2.132 20 30 GEEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158616376 644151683 /nfs/dbraw/zinc/15/16/83/644151683.db2.gz ZDEMELFUVWHBDG-UHFFFAOYSA-N 1 0 394.360 2.095 20 30 GEEDRO COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000172124420 644336806 /nfs/dbraw/zinc/33/68/06/644336806.db2.gz FBPPDISQIQKJBU-NXVVXOECSA-N 1 0 380.242 2.074 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797160 644343982 /nfs/dbraw/zinc/34/39/82/644343982.db2.gz JMBODKGUMPNDII-RISCZKNCSA-N 1 0 383.279 2.084 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000193204002 645250679 /nfs/dbraw/zinc/25/06/79/645250679.db2.gz HVSOCIIQGGFVDU-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000248973761 645544939 /nfs/dbraw/zinc/54/49/39/645544939.db2.gz DOSKWOSYWGJFIV-HZPDHXFCSA-N 1 0 378.567 2.284 20 30 GEEDRO CC[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CCSC(C)(C)C1 ZINC000261758859 645598118 /nfs/dbraw/zinc/59/81/18/645598118.db2.gz CTGSYQSYZUIDDC-UHFFFAOYSA-N 1 0 384.571 2.351 20 30 GEEDRO CNC(=O)CC1CCN(C(NCc2csc(Br)c2)=[NH+]C)CC1 ZINC000261791292 645600230 /nfs/dbraw/zinc/60/02/30/645600230.db2.gz QKSGLLFWKIAPIY-UHFFFAOYSA-N 1 0 387.347 2.434 20 30 GEEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1cc(Br)cn1C ZINC000261807356 645602223 /nfs/dbraw/zinc/60/22/23/645602223.db2.gz SDULEIPAQVBDKY-HNNXBMFYSA-N 1 0 389.363 2.053 20 30 GEEDRO CCc1nsc(N2CCN(C(NCc3sc(C)nc3C)=[NH+]C)CC2)n1 ZINC000261841826 645604290 /nfs/dbraw/zinc/60/42/90/645604290.db2.gz WQNBFHGLLUPXKL-UHFFFAOYSA-N 1 0 379.559 2.071 20 30 GEEDRO O=S1(=O)CC[C@H](C[NH+]=C(NCc2cccs2)N2CC[C@H](C3CC3)C2)C1 ZINC000262372950 645629033 /nfs/dbraw/zinc/62/90/33/645629033.db2.gz IYUSRYHWDIPWPJ-ZBFHGGJFSA-N 1 0 381.567 2.360 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N1CC[C@H](COC)C1 ZINC000262464350 645631025 /nfs/dbraw/zinc/63/10/25/645631025.db2.gz NFTAKWKFHNOQLE-NSHDSACASA-N 1 0 384.274 2.222 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000262488261 645632892 /nfs/dbraw/zinc/63/28/92/645632892.db2.gz UASQEUMNWWINTB-KBPBESRZSA-N 1 0 381.318 2.311 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000262647428 645641218 /nfs/dbraw/zinc/64/12/18/645641218.db2.gz JNBMKVJNSDXXFX-BXUZGUMPSA-N 1 0 388.921 2.183 20 30 GEEDRO C[NH+]=C(NCc1nc(C)no1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262761404 645644521 /nfs/dbraw/zinc/64/45/21/645644521.db2.gz INPNRAABYZNSIM-ZDUSSCGKSA-N 1 0 393.289 2.084 20 30 GEEDRO CS(=O)(=O)[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000277725627 646467182 /nfs/dbraw/zinc/46/71/82/646467182.db2.gz JOENNIIVINMMTF-HNNXBMFYSA-N 1 0 383.901 2.439 20 30 GEEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000278877022 646560189 /nfs/dbraw/zinc/56/01/89/646560189.db2.gz SHEJFXCQLFROCG-AAEUAGOBSA-N 1 0 386.315 2.424 20 30 GEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C ZINC000287533359 646891653 /nfs/dbraw/zinc/89/16/53/646891653.db2.gz SQZARYAYQAHDJY-CQSZACIVSA-N 1 0 395.301 2.352 20 30 GEEDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000294940507 647228318 /nfs/dbraw/zinc/22/83/18/647228318.db2.gz AJTHUBJANDAPOD-UHFFFAOYSA-N 1 0 390.278 2.222 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330384867 647333751 /nfs/dbraw/zinc/33/37/51/647333751.db2.gz KWKRBPQWNHOGBD-BFYDXBDKSA-N 1 0 384.571 2.447 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331215156 647372089 /nfs/dbraw/zinc/37/20/89/647372089.db2.gz CLGXIVRAYZIJCU-ZDUSSCGKSA-N 1 0 386.315 2.472 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000332107933 647411904 /nfs/dbraw/zinc/41/19/04/647411904.db2.gz ZZURHMMRYITYAR-JKSUJKDBSA-N 1 0 385.942 2.412 20 30 GEEDRO N#Cc1ccc(Br)c(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000365188065 647663338 /nfs/dbraw/zinc/66/33/38/647663338.db2.gz AQFNGGMRTUUWKP-QGZVFWFLSA-N 1 0 391.313 2.235 20 30 GEEDRO N#CCSCCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378543435 647883506 /nfs/dbraw/zinc/88/35/06/647883506.db2.gz WPQCTNXESAMRRT-KRWDZBQOSA-N 1 0 379.551 2.490 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408112795 647927176 /nfs/dbraw/zinc/92/71/76/647927176.db2.gz NYTPNNUFDLPLLL-UONOGXRCSA-N 1 0 384.299 2.226 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429532 648125314 /nfs/dbraw/zinc/12/53/14/648125314.db2.gz ZCUHSQHOJULSKG-HZMBPMFUSA-N 1 0 384.299 2.082 20 30 GEEDRO C[N@H+](CCCCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000416510738 648154574 /nfs/dbraw/zinc/15/45/74/648154574.db2.gz YFCLMVQRUNJBLU-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C ZINC000419658623 648360594 /nfs/dbraw/zinc/36/05/94/648360594.db2.gz XEJZQQPNUJOPHX-CYBMUJFWSA-N 1 0 395.301 2.352 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc(Br)c1C#N ZINC000425740693 648692810 /nfs/dbraw/zinc/69/28/10/648692810.db2.gz ISIXNQMEYDXNKB-ABAIWWIYSA-N 1 0 393.285 2.167 20 30 GEEDRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)ccc1C#N ZINC000440809080 648814664 /nfs/dbraw/zinc/81/46/64/648814664.db2.gz RPUUCWDHSJBJSJ-UHFFFAOYSA-N 1 0 379.869 2.288 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000443523450 648880920 /nfs/dbraw/zinc/88/09/20/648880920.db2.gz SSVUPNHWGCNVQV-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO CC1CC[NH+](CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000550824640 651115381 /nfs/dbraw/zinc/11/53/81/651115381.db2.gz NDEXZIKIKJEYRU-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603292883 651477347 /nfs/dbraw/zinc/47/73/47/651477347.db2.gz BAAZZOTYPVMCCT-HNNXBMFYSA-N 1 0 378.318 2.322 20 30 GEEDRO CN(c1cc(C#N)c(Br)cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603293634 651477750 /nfs/dbraw/zinc/47/77/50/651477750.db2.gz TWOLALSKVFSHHL-OAHLLOKOSA-N 1 0 378.318 2.320 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000564445058 651567678 /nfs/dbraw/zinc/56/76/78/651567678.db2.gz ZPRUTENNXINHOW-MRXNPFEDSA-N 1 0 393.285 2.327 20 30 GEEDRO CSC1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[NH+](C)CC1 ZINC000565629659 651594422 /nfs/dbraw/zinc/59/44/22/651594422.db2.gz CUVUXNYWQGRRCD-UHFFFAOYSA-N 1 0 380.901 2.094 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1Cl ZINC000609198971 651613286 /nfs/dbraw/zinc/61/32/86/651613286.db2.gz BKQBZTRDAXDBIB-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO CC(C)(C)c1csc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000567679145 651634035 /nfs/dbraw/zinc/63/40/35/651634035.db2.gz MWYVEXRGZUFFTD-UHFFFAOYSA-N 1 0 378.523 2.313 20 30 GEEDRO CNC(=O)CCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000569985853 651738393 /nfs/dbraw/zinc/73/83/93/651738393.db2.gz UGGGAKLVUCEKCA-MRXNPFEDSA-N 1 0 379.302 2.158 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000571937289 651862582 /nfs/dbraw/zinc/86/25/82/651862582.db2.gz QWSOEEPZZPSUSL-DOTOQJQBSA-N 1 0 391.313 2.158 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000572224580 651879614 /nfs/dbraw/zinc/87/96/14/651879614.db2.gz QCWONAKMZPFWSH-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000747820028 652180822 /nfs/dbraw/zinc/18/08/22/652180822.db2.gz HIMYKWNFAJDPAI-CQSZACIVSA-N 1 0 385.291 2.195 20 30 GEEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658205531 652243236 /nfs/dbraw/zinc/24/32/36/652243236.db2.gz IBULGTPWMPSNDL-LLVKDONJSA-N 1 0 377.304 2.340 20 30 GEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000751104731 652323853 /nfs/dbraw/zinc/32/38/53/652323853.db2.gz GJVVMSAFCIKNMU-INIZCTEOSA-N 1 0 383.901 2.133 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626863176 652407435 /nfs/dbraw/zinc/40/74/35/652407435.db2.gz ANJVUAJYTCQOKP-QWHCGFSZSA-N 1 0 396.285 2.209 20 30 GEEDRO C=CC[C@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000662551129 652467599 /nfs/dbraw/zinc/46/75/99/652467599.db2.gz JLVBQAWHGRCPBV-GOSISDBHSA-N 1 0 394.313 2.384 20 30 GEEDRO N#CC[C@]1(O)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000592152446 652589414 /nfs/dbraw/zinc/58/94/14/652589414.db2.gz XWCYZMTZWOZQMR-HNNXBMFYSA-N 1 0 386.233 2.411 20 30 GEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451127 652621476 /nfs/dbraw/zinc/62/14/76/652621476.db2.gz UVPBZUJHLRLQJO-MRXNPFEDSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000593531429 652624473 /nfs/dbraw/zinc/62/44/73/652624473.db2.gz SCMXIXDQVWZANX-QGZVFWFLSA-N 1 0 392.297 2.233 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000593733473 652633914 /nfs/dbraw/zinc/63/39/14/652633914.db2.gz HMTNGMVSHBIWRF-GRDNDAEWSA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1CC[NH3+] ZINC000593738210 652634332 /nfs/dbraw/zinc/63/43/32/652634332.db2.gz XLRBGDCVBRDBCP-RISCZKNCSA-N 1 0 386.315 2.459 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000595119559 652705775 /nfs/dbraw/zinc/70/57/75/652705775.db2.gz HBRMZIZZHAKIKN-WFASDCNBSA-N 1 0 383.445 2.322 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(cc1Br)OCO2 ZINC000598692038 652828545 /nfs/dbraw/zinc/82/85/45/652828545.db2.gz XINIRMMQBOOWDB-UHFFFAOYSA-N 1 0 382.258 2.485 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CC(C)(C)C#N)s1 ZINC000598719083 652831097 /nfs/dbraw/zinc/83/10/97/652831097.db2.gz GAIQKDLREGVOAQ-CQSZACIVSA-N 1 0 387.571 2.211 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000599352154 652863542 /nfs/dbraw/zinc/86/35/42/652863542.db2.gz NYOZLLDPFFPZSV-SJORKVTESA-N 1 0 397.313 2.486 20 30 GEEDRO Cc1ccc(Br)c2ncc(C#N)c(NC[C@H]3C[N@@H+](C)CCN3C)c12 ZINC000601115797 652955127 /nfs/dbraw/zinc/95/51/27/652955127.db2.gz KUKGMELLRZXMAI-AWEZNQCLSA-N 1 0 388.313 2.257 20 30 GEEDRO CSCCNC(=S)NN=C1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000769598027 653165350 /nfs/dbraw/zinc/16/53/50/653165350.db2.gz BIBPACMATZWLRS-UHFFFAOYSA-N 1 0 378.567 2.465 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547517 653190664 /nfs/dbraw/zinc/19/06/64/653190664.db2.gz ZDFNFSZGYFBLNR-LSDHHAIUSA-N 1 0 393.285 2.082 20 30 GEEDRO CCN(CCC#N)C(=O)CN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602879572 653211514 /nfs/dbraw/zinc/21/15/14/653211514.db2.gz BTSPIMRGCLSIOV-CQSZACIVSA-N 1 0 381.274 2.059 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000774078225 653223466 /nfs/dbraw/zinc/22/34/66/653223466.db2.gz JBMDMUNXLLPRPD-CQSZACIVSA-N 1 0 394.265 2.404 20 30 GEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000641759807 653233203 /nfs/dbraw/zinc/23/32/03/653233203.db2.gz JLSXINDLJBUJAF-IUODEOHRSA-N 1 0 385.302 2.379 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000836282351 653342532 /nfs/dbraw/zinc/34/25/32/653342532.db2.gz LAGYOPGPGKDICX-IKGGRYGDSA-N 1 0 392.297 2.286 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000836295426 653343008 /nfs/dbraw/zinc/34/30/08/653343008.db2.gz KJGQUONZKBCXDK-OAHLLOKOSA-N 1 0 393.329 2.282 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836316689 653344198 /nfs/dbraw/zinc/34/41/98/653344198.db2.gz CBLNJTSJTSOVSJ-INIZCTEOSA-N 1 0 382.302 2.432 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000836341802 653345644 /nfs/dbraw/zinc/34/56/44/653345644.db2.gz UHLUGYCDAAOUJN-AWEZNQCLSA-N 1 0 382.302 2.471 20 30 GEEDRO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000836475089 653355110 /nfs/dbraw/zinc/35/51/10/653355110.db2.gz XMWKEFKLVODAMI-MRXNPFEDSA-N 1 0 380.286 2.145 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000836490151 653356015 /nfs/dbraw/zinc/35/60/15/653356015.db2.gz KFBNMLLDVPJGCX-UHFFFAOYSA-N 1 0 392.301 2.160 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000876686208 653442438 /nfs/dbraw/zinc/44/24/38/653442438.db2.gz SHHAKWGLSVISMO-CJNGLKHVSA-N 1 0 384.307 2.412 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000876784222 653447347 /nfs/dbraw/zinc/44/73/47/653447347.db2.gz BDNLYUXWAZXBRL-DZGCQCFKSA-N 1 0 386.949 2.355 20 30 GEEDRO Cc1cc(Br)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1Br ZINC000876801772 653448581 /nfs/dbraw/zinc/44/85/81/653448581.db2.gz INPXOGLBSZNEJS-PELKAZGASA-N 1 0 387.075 2.361 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000876894863 653452812 /nfs/dbraw/zinc/45/28/12/653452812.db2.gz YATICXVKUUSRSW-CHWSQXEVSA-N 1 0 375.778 2.175 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000876966193 653456585 /nfs/dbraw/zinc/45/65/85/653456585.db2.gz QVZVFCSHWUFUAO-NWDGAFQWSA-N 1 0 375.650 2.249 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000815083448 653650558 /nfs/dbraw/zinc/65/05/58/653650558.db2.gz ZGAVRUZFJDPSBN-UHFFFAOYSA-N 1 0 393.734 2.477 20 30 GEEDRO C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816548657 653687447 /nfs/dbraw/zinc/68/74/47/653687447.db2.gz OIGQOFBXXGQHBN-CYBMUJFWSA-N 1 0 390.322 2.248 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028171 653705347 /nfs/dbraw/zinc/70/53/47/653705347.db2.gz CEPTVFZYSWLFSJ-RDDDGLTNSA-N 1 0 388.063 2.445 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241419 653712063 /nfs/dbraw/zinc/71/20/63/653712063.db2.gz NDUSTDQUPJJFJL-HTRCEHHLSA-N 1 0 378.152 2.096 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000785849131 653715814 /nfs/dbraw/zinc/71/58/14/653715814.db2.gz KWBDOSRCATXFEO-UHFFFAOYSA-N 1 0 393.281 2.197 20 30 GEEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000863589019 653716779 /nfs/dbraw/zinc/71/67/79/653716779.db2.gz IVSXHPQEEXCJJW-STQMWFEESA-N 1 0 376.678 2.470 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000818588812 653733950 /nfs/dbraw/zinc/73/39/50/653733950.db2.gz HTDQJXRQZOOALL-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000818584125 653733968 /nfs/dbraw/zinc/73/39/68/653733968.db2.gz GCIKBHZLGLYCRG-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000787143356 653734964 /nfs/dbraw/zinc/73/49/64/653734964.db2.gz JQMOPDZWMGFIOY-UHFFFAOYSA-N 1 0 394.313 2.100 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000881961334 653753247 /nfs/dbraw/zinc/75/32/47/653753247.db2.gz WYSVOLLPRKVZKF-UHFFFAOYSA-N 1 0 380.290 2.070 20 30 GEEDRO Cn1c(Sc2ncc(C#N)cc2Br)nnc1[C@@H]1CCC[NH2+]C1 ZINC000881993578 653756037 /nfs/dbraw/zinc/75/60/37/653756037.db2.gz VFXWVCXUWJSFSI-SNVBAGLBSA-N 1 0 379.287 2.462 20 30 GEEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000865360354 653762416 /nfs/dbraw/zinc/76/24/16/653762416.db2.gz RTMDVYNXOHGHAC-UHFFFAOYSA-N 1 0 377.539 2.495 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843111948 653779807 /nfs/dbraw/zinc/77/98/07/653779807.db2.gz BJEVKMHRGKDOKB-FUHWJXTLSA-N 1 0 391.265 2.384 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462058 653787582 /nfs/dbraw/zinc/78/75/82/653787582.db2.gz ZKKATZHWFFXYRF-OTYXRUKQSA-N 1 0 381.219 2.402 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194379 653802962 /nfs/dbraw/zinc/80/29/62/653802962.db2.gz FWHZRZMICDMSPV-XHDPSFHLSA-N 1 0 376.869 2.146 20 30 GEEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771623 653806362 /nfs/dbraw/zinc/80/63/62/653806362.db2.gz IDSGSFYGYIHDTG-HOCLYGCPSA-N 1 0 375.266 2.074 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1C(F)(F)F ZINC000883471014 653841028 /nfs/dbraw/zinc/84/10/28/653841028.db2.gz QYBAULGFKOXIJQ-UHFFFAOYSA-N 1 0 389.321 2.479 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc1C(F)(F)F ZINC000883471977 653841281 /nfs/dbraw/zinc/84/12/81/653841281.db2.gz HEQQHICEPPZPIU-UHFFFAOYSA-N 1 0 375.294 2.089 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000792940730 653856169 /nfs/dbraw/zinc/85/61/69/653856169.db2.gz QPOLZZKWIAEUCS-CYBMUJFWSA-N 1 0 384.261 2.341 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(I)cc1)C2 ZINC000884045705 653861335 /nfs/dbraw/zinc/86/13/35/653861335.db2.gz DXEKGCHWTHPVKG-VTWZXRTESA-N 1 0 381.217 2.369 20 30 GEEDRO COc1ccc(Br)c(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884095707 653863015 /nfs/dbraw/zinc/86/30/15/653863015.db2.gz WPQIGXJYRLLDLL-UIORMTCPSA-N 1 0 378.270 2.213 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCOc1cccc(Br)c1)C2 ZINC000884100106 653863416 /nfs/dbraw/zinc/86/34/16/653863416.db2.gz JDXNVDJAJRIWPP-UIORMTCPSA-N 1 0 378.270 2.083 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000884130914 653865312 /nfs/dbraw/zinc/86/53/12/653865312.db2.gz VZYSIZDYOIIVQO-JZLYGMAVSA-N 1 0 380.261 2.386 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156189 653866409 /nfs/dbraw/zinc/86/64/09/653866409.db2.gz VNRMKQQFZXLORB-VUULHSHRSA-N 1 0 392.297 2.472 20 30 GEEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(C)cc2C)s1 ZINC000823446660 653868952 /nfs/dbraw/zinc/86/89/52/653868952.db2.gz MKBYCUQQRYUMRV-UHFFFAOYSA-N 1 0 379.507 2.083 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000867582252 653956358 /nfs/dbraw/zinc/95/63/58/653956358.db2.gz QNHBBTPXXRFPNZ-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O ZINC000848376497 653973696 /nfs/dbraw/zinc/97/36/96/653973696.db2.gz XWIFVTUGONSVPH-JTQLQIEISA-N 1 0 383.290 2.336 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@H]21 ZINC000827245055 653982781 /nfs/dbraw/zinc/98/27/81/653982781.db2.gz HZDNWDBULGQADE-IUODEOHRSA-N 1 0 378.270 2.252 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000867813022 653991734 /nfs/dbraw/zinc/99/17/34/653991734.db2.gz PCONZDJISUKXKC-IUODEOHRSA-N 1 0 384.299 2.035 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccccc1Br ZINC000849107756 654004681 /nfs/dbraw/zinc/00/46/81/654004681.db2.gz PLKNDIQGKRKFST-UHFFFAOYSA-N 1 0 397.361 2.224 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC000886898136 654008172 /nfs/dbraw/zinc/00/81/72/654008172.db2.gz SELLWWTZIMCJMN-JTQLQIEISA-N 1 0 383.342 2.100 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202866 654023003 /nfs/dbraw/zinc/02/30/03/654023003.db2.gz FRGUOGPDKBSZBG-CPCISQLKSA-N 1 0 388.063 2.445 20 30 GEEDRO C#C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000868619157 654046539 /nfs/dbraw/zinc/04/65/39/654046539.db2.gz IPGMMXOBWUZNFB-INIZCTEOSA-N 1 0 375.270 2.312 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000869567247 654105431 /nfs/dbraw/zinc/10/54/31/654105431.db2.gz HTFISQXZDOPRGW-UHFFFAOYSA-N 1 0 381.245 2.232 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000917142098 654114575 /nfs/dbraw/zinc/11/45/75/654114575.db2.gz QCPZEMWVXHUUQZ-UHFFFAOYSA-N 1 0 382.306 2.084 20 30 GEEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(I)cc1Cl ZINC000800232404 654138666 /nfs/dbraw/zinc/13/86/66/654138666.db2.gz VELXUCPGYNUKRC-UHFFFAOYSA-N 1 0 376.625 2.174 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC1(C#N)CCCCC1 ZINC000901728384 654144001 /nfs/dbraw/zinc/14/40/01/654144001.db2.gz MFCZLZRLYNSQLX-CHWSQXEVSA-N 1 0 394.317 2.281 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1Br ZINC000903516263 654246034 /nfs/dbraw/zinc/24/60/34/654246034.db2.gz YHIJIYIKBQJOBL-IAQYHMDHSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519719 654247745 /nfs/dbraw/zinc/24/77/45/654247745.db2.gz KDSOYUCVWMNCAR-NXEZZACHSA-N 1 0 375.397 2.283 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000903570544 654258014 /nfs/dbraw/zinc/25/80/14/654258014.db2.gz OYKHEXATLASJSW-RKDXNWHRSA-N 1 0 380.285 2.355 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578007 654260483 /nfs/dbraw/zinc/26/04/83/654260483.db2.gz AOOISTUDHGPGEN-RFZPGFLSSA-N 1 0 398.275 2.282 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C(F)(F)F ZINC000871813459 654263551 /nfs/dbraw/zinc/26/35/51/654263551.db2.gz IQWHPIJJRUUASB-WHFBIAKZSA-N 1 0 398.275 2.140 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000852862897 654263833 /nfs/dbraw/zinc/26/38/33/654263833.db2.gz MIUOAFPLLZOLPP-INIZCTEOSA-N 1 0 390.325 2.395 20 30 GEEDRO COC(=O)c1cc(NC(=O)C#CC2CC[NH2+]CC2)cc(Br)c1F ZINC000852889601 654265775 /nfs/dbraw/zinc/26/57/75/654265775.db2.gz IAHSHKKQNHVFRJ-UHFFFAOYSA-N 1 0 383.217 2.316 20 30 GEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1nc(Cl)c(C#N)s1 ZINC000804577947 654314018 /nfs/dbraw/zinc/31/40/18/654314018.db2.gz FGACYXDHMBMPFW-ZDUSSCGKSA-N 1 0 377.901 2.369 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642979 654315949 /nfs/dbraw/zinc/31/59/49/654315949.db2.gz BILVVHPJNUFRAJ-HOCLYGCPSA-N 1 0 394.313 2.181 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804642977 654316022 /nfs/dbraw/zinc/31/60/22/654316022.db2.gz BILVVHPJNUFRAJ-GDBMZVCRSA-N 1 0 394.313 2.181 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CCOCC1 ZINC000872234603 654318506 /nfs/dbraw/zinc/31/85/06/654318506.db2.gz DHLYJQCTGZJHCF-KBPBESRZSA-N 1 0 395.297 2.414 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479444 654329041 /nfs/dbraw/zinc/32/90/41/654329041.db2.gz DNJVHPXEKDAZGB-CABZTGNLSA-N 1 0 379.283 2.219 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490304 654329778 /nfs/dbraw/zinc/32/97/78/654329778.db2.gz UDFXVDYOZJSUBU-JGVFFNPUSA-N 1 0 383.296 2.475 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505761 654330805 /nfs/dbraw/zinc/33/08/05/654330805.db2.gz NQJHZAABAWUKEX-PSASIEDQSA-N 1 0 378.148 2.189 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000922027561 654357262 /nfs/dbraw/zinc/35/72/62/654357262.db2.gz XKPOMUGYWCXDHT-UHFFFAOYSA-N 1 0 387.908 2.185 20 30 GEEDRO C[C@@]1(NC(=O)COc2cccc(Br)c2C#N)C[NH+]2CCC1CC2 ZINC000892765472 654363377 /nfs/dbraw/zinc/36/33/77/654363377.db2.gz DAUHSWILEJLPLT-QGZVFWFLSA-N 1 0 378.270 2.300 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905569892 654366657 /nfs/dbraw/zinc/36/66/57/654366657.db2.gz YFXPVQUHOOZAFB-DZGCQCFKSA-N 1 0 376.400 2.422 20 30 GEEDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922222258 654376730 /nfs/dbraw/zinc/37/67/30/654376730.db2.gz FXJBAXZFRAQPCD-RHSMWYFYSA-N 1 0 388.269 2.164 20 30 GEEDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417949 654474049 /nfs/dbraw/zinc/47/40/49/654474049.db2.gz XRHRJEBFCWDYOB-DYVFJYSZSA-N 1 0 391.269 2.273 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000906853813 654479509 /nfs/dbraw/zinc/47/95/09/654479509.db2.gz VMKLLIGZRDYJDB-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Br ZINC000923734523 654481901 /nfs/dbraw/zinc/48/19/01/654481901.db2.gz NFYRZECMUQETBC-OAHLLOKOSA-N 1 0 384.299 2.227 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2c(C#N)sc3ccccc32)CCOCC1 ZINC000906950310 654492198 /nfs/dbraw/zinc/49/21/98/654492198.db2.gz GLHRHQIGNBMRGE-UHFFFAOYSA-N 1 0 379.507 2.162 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979814 654495472 /nfs/dbraw/zinc/49/54/72/654495472.db2.gz CBZBQDVDDPVXCV-IAQYHMDHSA-N 1 0 386.315 2.281 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000906986174 654496446 /nfs/dbraw/zinc/49/64/46/654496446.db2.gz HTRQHXKAICLAQV-YOEHRIQHSA-N 1 0 376.507 2.376 20 30 GEEDRO Cn1nc(Br)nc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000894764861 654497678 /nfs/dbraw/zinc/49/76/78/654497678.db2.gz VVGMOZNNQUHIGM-UHFFFAOYSA-N 1 0 377.290 2.013 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328959 654532513 /nfs/dbraw/zinc/53/25/13/654532513.db2.gz JXCXCQATTBKULF-GJZGRUSLSA-N 1 0 384.299 2.178 20 30 GEEDRO C#CC[N@@H+](C)CCCN1C(=O)[C@@H](c2ccc(Br)s2)N(C)C1=O ZINC000925315449 654540949 /nfs/dbraw/zinc/54/09/49/654540949.db2.gz XZBSRNLPWODTQG-CYBMUJFWSA-N 1 0 384.299 2.401 20 30 GEEDRO O=C(NCC[NH2+][C@@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407905 654544007 /nfs/dbraw/zinc/54/40/07/654544007.db2.gz HHKXBGAWVGUQSF-VLUKHXRESA-N 1 0 391.269 2.338 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(I)cc2F)CC1 ZINC000928651594 654654307 /nfs/dbraw/zinc/65/43/07/654654307.db2.gz WVVJMJKQEHKTLV-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000928659504 654655189 /nfs/dbraw/zinc/65/51/89/654655189.db2.gz OSYSTOGPHXGSRT-INIZCTEOSA-N 1 0 377.897 2.357 20 30 GEEDRO C#CCN(C(=O)C(=O)NCc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000929121599 654672341 /nfs/dbraw/zinc/67/23/41/654672341.db2.gz LGHWBPLNDMGOLS-UHFFFAOYSA-N 1 0 382.291 2.166 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(F)cc1I ZINC000930270542 654703742 /nfs/dbraw/zinc/70/37/42/654703742.db2.gz NJCCNPOSTZRBLJ-UHFFFAOYSA-N 1 0 375.185 2.117 20 30 GEEDRO COC(=O)c1c(Br)ccc(NC(=O)NCC#CC[NH+](C)C)c1C ZINC000931081514 654728482 /nfs/dbraw/zinc/72/84/82/654728482.db2.gz RVVUXBCGIKWIIW-UHFFFAOYSA-N 1 0 382.258 2.231 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000931405284 654741382 /nfs/dbraw/zinc/74/13/82/654741382.db2.gz IFMUTZQCWLAWHU-UHFFFAOYSA-N 1 0 393.285 2.028 20 30 GEEDRO CCOC(=O)c1nc(NC(=O)NCC#CC[NH+](C)C)sc1C(F)(F)F ZINC000931600924 654748836 /nfs/dbraw/zinc/74/88/36/654748836.db2.gz QPXXVMMPALLUQM-UHFFFAOYSA-N 1 0 378.376 2.025 20 30 GEEDRO N#Cc1nc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000932158509 654768459 /nfs/dbraw/zinc/76/84/59/654768459.db2.gz JTSSKGAJDADYLW-LBPRGKRZSA-N 1 0 394.273 2.091 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912904061 654773693 /nfs/dbraw/zinc/77/36/93/654773693.db2.gz VIMZIOKVMNPYDR-INIZCTEOSA-N 1 0 389.297 2.064 20 30 GEEDRO CC[N@H+](C)C[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945288 654795516 /nfs/dbraw/zinc/79/55/16/654795516.db2.gz UYYVTRFUCODEEY-LPEHRKFASA-N 1 0 384.311 2.402 20 30 GEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914118956 654827904 /nfs/dbraw/zinc/82/79/04/654827904.db2.gz BGOGZVLVJQXVSM-YOEHRIQHSA-N 1 0 385.555 2.176 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164687531 719719897 /nfs/dbraw/zinc/71/98/97/719719897.db2.gz ZCMBEVALOVALSK-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838494 720542329 /nfs/dbraw/zinc/54/23/29/720542329.db2.gz OCYOICIHELWLPR-BPQIPLTHSA-N 1 0 395.467 2.436 20 30 GEEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)CCC1 ZINC001164736708 720694531 /nfs/dbraw/zinc/69/45/31/720694531.db2.gz APPFHXOUZHHNPO-MSOLQXFVSA-N 1 0 376.464 2.159 20 30 GEEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739370 720754571 /nfs/dbraw/zinc/75/45/71/720754571.db2.gz IJHYPKFBAIYHQE-RBUKOAKNSA-N 1 0 399.458 2.147 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866972 721093332 /nfs/dbraw/zinc/09/33/32/721093332.db2.gz WAQSIEWOHAIBQP-RBUKOAKNSA-N 1 0 381.480 2.225 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866971 721093586 /nfs/dbraw/zinc/09/35/86/721093586.db2.gz WAQSIEWOHAIBQP-OALUTQOASA-N 1 0 381.480 2.225 20 30 GEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907312 721532307 /nfs/dbraw/zinc/53/23/07/721532307.db2.gz MXSBXKRMSXTTCZ-DOTOQJQBSA-N 1 0 383.383 2.342 20 30 GEEDRO N#Cc1ncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164913089 721726602 /nfs/dbraw/zinc/72/66/02/721726602.db2.gz SKZLZMKHPBXPGW-LJQANCHMSA-N 1 0 395.417 2.353 20 30 GEEDRO N#Cc1ncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164913088 721727194 /nfs/dbraw/zinc/72/71/94/721727194.db2.gz SKZLZMKHPBXPGW-IBGZPJMESA-N 1 0 395.417 2.353 20 30 GEEDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)cc1C#N ZINC001164983345 722137888 /nfs/dbraw/zinc/13/78/88/722137888.db2.gz UMWWNOOTBDLDMA-QFBILLFUSA-N 1 0 397.454 2.223 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122076222 532056611 /nfs/dbraw/zinc/05/66/11/532056611.db2.gz NYGSLZBXTYJTLI-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1Br ZINC000125470934 532135958 /nfs/dbraw/zinc/13/59/58/532135958.db2.gz BQFFQFCPNICGCD-UHFFFAOYSA-N 1 0 391.273 2.129 20 30 GEEDRO CN(CCC#N)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000129003143 532170947 /nfs/dbraw/zinc/17/09/47/532170947.db2.gz NHADIIWAGQDAFJ-UHFFFAOYSA-N 1 0 384.933 2.328 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)cc2Br)c1C#N ZINC000133320699 532231405 /nfs/dbraw/zinc/23/14/05/532231405.db2.gz IMYAPSWDHLGORA-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(Br)c2)c1C#N ZINC000133789235 532242417 /nfs/dbraw/zinc/24/24/17/532242417.db2.gz WMNHXJOKRUKQQE-UHFFFAOYSA-N 1 0 376.258 2.377 20 30 GEEDRO O=C(NCC[NH2+][C@H]1CCc2cc(Br)ccc2C1)C1N=CC=CC1=O ZINC000180866120 532283659 /nfs/dbraw/zinc/28/36/59/532283659.db2.gz SGVMRFZSFZIDAK-DVEDPGPFSA-N 1 0 390.281 2.422 20 30 GEEDRO COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])NCC(C)C)c1 ZINC000191159298 532359726 /nfs/dbraw/zinc/35/97/26/532359726.db2.gz DOTPTAOMIXSNKA-UHFFFAOYSA-N 1 0 385.306 2.138 20 30 GEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000294641615 532374315 /nfs/dbraw/zinc/37/43/15/532374315.db2.gz OZICMHDQJNTCLS-MRXNPFEDSA-N 1 0 391.313 2.173 20 30 GEEDRO C[NH+](C)CCn1cc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 ZINC000590665223 532381213 /nfs/dbraw/zinc/38/12/13/532381213.db2.gz JDZFALKBNACPCV-UHFFFAOYSA-N 1 0 392.257 2.096 20 30 GEEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000294777068 532382547 /nfs/dbraw/zinc/38/25/47/532382547.db2.gz ZOUXGVWRTMATCS-UHFFFAOYSA-N 1 0 397.313 2.170 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425747185 532392555 /nfs/dbraw/zinc/39/25/55/532392555.db2.gz SHKCSGOSEQZCCS-LBPRGKRZSA-N 1 0 393.285 2.168 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[NH+]1CCCC1 ZINC000192529366 532405348 /nfs/dbraw/zinc/40/53/48/532405348.db2.gz AKKIDNKLOSERDG-UHFFFAOYSA-N 1 0 396.285 2.310 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000561246221 532433839 /nfs/dbraw/zinc/43/38/39/532433839.db2.gz ZYBGHNPIYGVRQS-GFCCVEGCSA-N 1 0 393.285 2.106 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592300521 532446405 /nfs/dbraw/zinc/44/64/05/532446405.db2.gz QQGAVZDJAVSFOT-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2C#N)CCCO1 ZINC000593656333 532493081 /nfs/dbraw/zinc/49/30/81/532493081.db2.gz DPJHCLXMWMYTGL-AWEZNQCLSA-N 1 0 394.313 2.480 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000594799662 532532121 /nfs/dbraw/zinc/53/21/21/532532121.db2.gz OSBJYBSGXUMHLT-LBPRGKRZSA-N 1 0 386.315 2.472 20 30 GEEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2c[nH+]ccc21 ZINC000432963718 532550823 /nfs/dbraw/zinc/55/08/23/532550823.db2.gz YWSILOKHGFOTQB-UHFFFAOYSA-N 1 0 393.266 2.361 20 30 GEEDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595345206 532558239 /nfs/dbraw/zinc/55/82/39/532558239.db2.gz NSVCHVPJSRFLGC-LBPRGKRZSA-N 1 0 386.315 2.426 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000262397671 532591856 /nfs/dbraw/zinc/59/18/56/532591856.db2.gz NDXNWADPFONVLZ-LBPRGKRZSA-N 1 0 387.908 2.110 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297181830 532571710 /nfs/dbraw/zinc/57/17/10/532571710.db2.gz BJAOJTXHGAKYCR-MRXNPFEDSA-N 1 0 382.302 2.079 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297181823 532571907 /nfs/dbraw/zinc/57/19/07/532571907.db2.gz BJAOJTXHGAKYCR-INIZCTEOSA-N 1 0 382.302 2.079 20 30 GEEDRO CC[NH+]=C(NCc1cccc(Cl)c1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261652541 532575988 /nfs/dbraw/zinc/57/59/88/532575988.db2.gz MWOBSWFFQNZFJU-UHFFFAOYSA-N 1 0 386.949 2.067 20 30 GEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435432946 532616854 /nfs/dbraw/zinc/61/68/54/532616854.db2.gz PGLFOQKSNYFJNV-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000474169335 532609578 /nfs/dbraw/zinc/60/95/78/532609578.db2.gz BOJDGGWKWPNTMW-AWEZNQCLSA-N 1 0 385.917 2.333 20 30 GEEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673752 532623550 /nfs/dbraw/zinc/62/35/50/532623550.db2.gz ZHOUQCIVLKYNAU-CHWSQXEVSA-N 1 0 398.301 2.077 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697722 532625219 /nfs/dbraw/zinc/62/52/19/532625219.db2.gz ZKWWVRCWISADPT-IAGOWNOFSA-N 1 0 392.297 2.185 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734835 532679625 /nfs/dbraw/zinc/67/96/25/532679625.db2.gz QPHGCBKCQDGFJM-HUUCEWRRSA-N 1 0 378.270 2.199 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734833 532679753 /nfs/dbraw/zinc/67/97/53/532679753.db2.gz QPHGCBKCQDGFJM-GJZGRUSLSA-N 1 0 378.270 2.199 20 30 GEEDRO CS(=O)(=O)c1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000600741439 532681778 /nfs/dbraw/zinc/68/17/78/532681778.db2.gz NZPHVCBNTMWLKA-CYBMUJFWSA-N 1 0 376.400 2.253 20 30 GEEDRO CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000299439727 532716357 /nfs/dbraw/zinc/71/63/57/532716357.db2.gz VTMXIVOKJDRUBK-HRCADAONSA-N 1 0 376.551 2.237 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000266811482 532725881 /nfs/dbraw/zinc/72/58/81/532725881.db2.gz YSJSVYUBXQXASJ-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000442793153 532734996 /nfs/dbraw/zinc/73/49/96/532734996.db2.gz PPZFVDPWCKJQTL-KWCYVHTRSA-N 1 0 386.233 2.313 20 30 GEEDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000451220915 532762319 /nfs/dbraw/zinc/76/23/19/532762319.db2.gz SJMDOZMXPNGRPH-LBPRGKRZSA-N 1 0 380.286 2.238 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000411248203 532751421 /nfs/dbraw/zinc/75/14/21/532751421.db2.gz WXHGNCJVWPOXAK-UHFFFAOYSA-N 1 0 398.301 2.409 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000411248578 532751700 /nfs/dbraw/zinc/75/17/00/532751700.db2.gz XLTDBBXZVAFDGI-UHFFFAOYSA-N 1 0 396.285 2.164 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451595779 532765619 /nfs/dbraw/zinc/76/56/19/532765619.db2.gz DYMVFGMXEQHYPY-CVEARBPZSA-N 1 0 383.286 2.219 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000411547345 532766573 /nfs/dbraw/zinc/76/65/73/532766573.db2.gz BZZWBTBTXBFURI-GFCCVEGCSA-N 1 0 398.301 2.266 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584231848 532767902 /nfs/dbraw/zinc/76/79/02/532767902.db2.gz TYZXXNCFKQSZLX-QWHCGFSZSA-N 1 0 398.326 2.331 20 30 GEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287197395 532786005 /nfs/dbraw/zinc/78/60/05/532786005.db2.gz LLOGHLBUJAPHRT-CYBMUJFWSA-N 1 0 394.317 2.468 20 30 GEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056587 532780424 /nfs/dbraw/zinc/78/04/24/532780424.db2.gz AKRKCLXUEYSQFG-GJZGRUSLSA-N 1 0 379.258 2.258 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329821637 532812303 /nfs/dbraw/zinc/81/23/03/532812303.db2.gz GVICDVXMELJYSX-TZMCWYRMSA-N 1 0 383.539 2.320 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000330619166 532823085 /nfs/dbraw/zinc/82/30/85/532823085.db2.gz ZAMLHKVKGMNULA-CABCVRRESA-N 1 0 386.315 2.271 20 30 GEEDRO CS[C@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000330666704 532824457 /nfs/dbraw/zinc/82/44/57/532824457.db2.gz WQRWMVJSLMSMEG-HOTGVXAUSA-N 1 0 378.567 2.475 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331220954 532836149 /nfs/dbraw/zinc/83/61/49/532836149.db2.gz UUHHBBUWLLYKBX-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000331467918 532840139 /nfs/dbraw/zinc/84/01/39/532840139.db2.gz HVFWLHJQKBGKBU-ZYHUDNBSSA-N 1 0 384.299 2.224 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000415393957 532844154 /nfs/dbraw/zinc/84/41/54/532844154.db2.gz LRZKEFVMUKDMRZ-GFCCVEGCSA-N 1 0 396.285 2.020 20 30 GEEDRO C[N@H+](CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@@H]1CCSC1 ZINC000333124985 532864091 /nfs/dbraw/zinc/86/40/91/532864091.db2.gz HUFNAGYTABXINN-OAHLLOKOSA-N 1 0 378.929 2.298 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289956487 532868793 /nfs/dbraw/zinc/86/87/93/532868793.db2.gz CFESUPCVRJUHHM-UHFFFAOYSA-N 1 0 379.425 2.038 20 30 GEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000290388472 532879293 /nfs/dbraw/zinc/87/92/93/532879293.db2.gz MFZKRRJARSKGNA-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO N#Cc1ccc(CN2CCN([C@@H]3CCCCNC3=O)CC2)c(Br)c1 ZINC000364862711 532908533 /nfs/dbraw/zinc/90/85/33/532908533.db2.gz YDEWGDCMRVKPPT-QGZVFWFLSA-N 1 0 391.313 2.107 20 30 GEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000292078192 532912722 /nfs/dbraw/zinc/91/27/22/532912722.db2.gz MDPZZTUSFCOFTA-UHFFFAOYSA-N 1 0 381.571 2.047 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292931917 532920077 /nfs/dbraw/zinc/92/00/77/532920077.db2.gz CORVUKDRRFTGEO-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000368181576 532930689 /nfs/dbraw/zinc/93/06/89/532930689.db2.gz AIALAVNDJPNQJV-CQSZACIVSA-N 1 0 398.326 2.331 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000294215941 532937123 /nfs/dbraw/zinc/93/71/23/532937123.db2.gz WQLRCGCSNGBRLK-GXTWGEPZSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1=CC[N@H+](C)CC1 ZINC000294400736 532938633 /nfs/dbraw/zinc/93/86/33/532938633.db2.gz SLRNLIVMKCWHQA-NSHDSACASA-N 1 0 391.269 2.026 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)CC1 ZINC000735397745 598361270 /nfs/dbraw/zinc/36/12/70/598361270.db2.gz DCQXVJKFOLGPTN-IBGZPJMESA-N 1 0 398.511 2.427 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000735425346 598391868 /nfs/dbraw/zinc/39/18/68/598391868.db2.gz ADPBCZJFVWRPKA-UHFFFAOYSA-N 1 0 385.472 2.426 20 30 GEEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826186692 607517877 /nfs/dbraw/zinc/51/78/77/607517877.db2.gz HEWMQAYZHPKUIC-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826257011 607665710 /nfs/dbraw/zinc/66/57/10/607665710.db2.gz JVEWKQPJUUYPAD-UHFFFAOYSA-N 1 0 389.463 2.251 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000445709801 649963826 /nfs/dbraw/zinc/96/38/26/649963826.db2.gz OZOKXJQPZTWSFF-HUUCEWRRSA-N 1 0 385.942 2.412 20 30 GEEDRO N#Cc1ccccc1N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822842383 606892513 /nfs/dbraw/zinc/89/25/13/606892513.db2.gz GAVYYNNYMAMFSE-UHFFFAOYSA-N 1 0 389.463 2.329 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1snc(Cl)c1C#N ZINC000825865849 608190682 /nfs/dbraw/zinc/19/06/82/608190682.db2.gz MZZHZGPNYMTAQG-UHFFFAOYSA-N 1 0 388.888 2.416 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000446930301 649990800 /nfs/dbraw/zinc/99/08/00/649990800.db2.gz NLTFAFVBHPSBAB-KBRIMQKVSA-N 1 0 383.901 2.084 20 30 GEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975096 650027840 /nfs/dbraw/zinc/02/78/40/650027840.db2.gz GEHKSHKCGJSYPY-UHFFFAOYSA-N 1 0 393.329 2.324 20 30 GEEDRO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000450028639 650058641 /nfs/dbraw/zinc/05/86/41/650058641.db2.gz RSQCYJMZVICDDU-OCCSQVGLSA-N 1 0 380.286 2.238 20 30 GEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449865053 650054279 /nfs/dbraw/zinc/05/42/79/650054279.db2.gz SWKRCYVVUPOHNV-ZDUSSCGKSA-N 1 0 378.270 2.395 20 30 GEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450080963 650059745 /nfs/dbraw/zinc/05/97/45/650059745.db2.gz IDNTYBTZDNGALU-OAHLLOKOSA-N 1 0 398.301 2.173 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000459648853 650429801 /nfs/dbraw/zinc/42/98/01/650429801.db2.gz ATUNUCPUNKCZFH-CQSZACIVSA-N 1 0 397.317 2.381 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000508941800 650484674 /nfs/dbraw/zinc/48/46/74/650484674.db2.gz KBXMNQRAKLRZIM-AWEZNQCLSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920778 650508411 /nfs/dbraw/zinc/50/84/11/650508411.db2.gz HOCJFVRYLGXHTE-SMDDNHRTSA-N 1 0 383.279 2.084 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000103036351 643151044 /nfs/dbraw/zinc/15/10/44/643151044.db2.gz OEHCKHDZFJHUGI-KRWDZBQOSA-N 1 0 390.325 2.489 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)ccc1OC)N(C)Cc1cnn(C)c1 ZINC000115182777 643431025 /nfs/dbraw/zinc/43/10/25/643431025.db2.gz CKQMRDZPBKQTBS-UHFFFAOYSA-N 1 0 380.290 2.399 20 30 GEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)C ZINC000498655400 650861962 /nfs/dbraw/zinc/86/19/62/650861962.db2.gz HTVDRHYDUOHDIB-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO CC[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000127162407 643760626 /nfs/dbraw/zinc/76/06/26/643760626.db2.gz BOHYGRNQGHVTSU-DLBZAZTESA-N 1 0 393.329 2.498 20 30 GEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000130771483 643849969 /nfs/dbraw/zinc/84/99/69/643849969.db2.gz ASWIJDJOFNKDDY-KGLIPLIRSA-N 1 0 375.560 2.002 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)NCC)C1 ZINC000152779205 643972888 /nfs/dbraw/zinc/97/28/88/643972888.db2.gz ODKFKQGMHFYRAV-OAHLLOKOSA-N 1 0 380.286 2.355 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000174432906 644373863 /nfs/dbraw/zinc/37/38/63/644373863.db2.gz AGNBBTQFVVRDED-INIZCTEOSA-N 1 0 379.302 2.158 20 30 GEEDRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000190375876 645155534 /nfs/dbraw/zinc/15/55/34/645155534.db2.gz KECPYUTXPCQVSN-GOSISDBHSA-N 1 0 384.929 2.064 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000246068414 645474272 /nfs/dbraw/zinc/47/42/72/645474272.db2.gz ZBLHJJTUPSVZAW-NVXWUHKLSA-N 1 0 382.302 2.469 20 30 GEEDRO CC[NH+]=C(NCc1cc(F)cc(Br)c1)N1CCO[C@@H](COC)C1 ZINC000261644307 645593147 /nfs/dbraw/zinc/59/31/47/645593147.db2.gz AMQRMGWBVHDMRL-OAHLLOKOSA-N 1 0 388.281 2.401 20 30 GEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261849151 645605189 /nfs/dbraw/zinc/60/51/89/645605189.db2.gz XCMCPZCCIAQRMU-CRAIPNDOSA-N 1 0 382.961 2.342 20 30 GEEDRO [NH2+]=C(NCc1cc(F)cc(Br)c1)N1CCN(c2ncccn2)CC1 ZINC000262000494 645615650 /nfs/dbraw/zinc/61/56/50/645615650.db2.gz PNETYBVLDBZZGC-UHFFFAOYSA-N 1 0 393.264 2.015 20 30 GEEDRO CCn1c(CNC(=[NH2+])NC[C@H]2CCCO2)nc2cc(Br)ccc21 ZINC000262441723 645630409 /nfs/dbraw/zinc/63/04/09/645630409.db2.gz SZDVEIUTPCWTDD-GFCCVEGCSA-N 1 0 380.290 2.402 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCCO1 ZINC000262513924 645635079 /nfs/dbraw/zinc/63/50/79/645635079.db2.gz CELAEJKSOCVCNB-GFCCVEGCSA-N 1 0 384.274 2.064 20 30 GEEDRO C[NH+]=C(NC[C@@H]1COCCO1)NCC1(c2ccccc2Br)CC1 ZINC000262514773 645635112 /nfs/dbraw/zinc/63/51/12/645635112.db2.gz MRCIPPWAPYAZOY-CYBMUJFWSA-N 1 0 382.302 2.061 20 30 GEEDRO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262761201 645644617 /nfs/dbraw/zinc/64/46/17/645644617.db2.gz FXKWTXKQDGDTOC-GOSISDBHSA-N 1 0 381.615 2.466 20 30 GEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1ccccc1Br ZINC000262824504 645646745 /nfs/dbraw/zinc/64/67/45/645646745.db2.gz XVNYWRBRUAXRAP-UHFFFAOYSA-N 1 0 393.333 2.456 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271717713 646224249 /nfs/dbraw/zinc/22/42/49/646224249.db2.gz CMYBQNHDYRYRGA-SHACYNPGSA-N 1 0 376.503 2.420 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275487720 646356945 /nfs/dbraw/zinc/35/69/45/646356945.db2.gz ORIGRSZJIAZQOU-GJZGRUSLSA-N 1 0 385.942 2.412 20 30 GEEDRO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278190409 646501049 /nfs/dbraw/zinc/50/10/49/646501049.db2.gz GKLNJZSQVXXYJO-CYBMUJFWSA-N 1 0 386.880 2.156 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000278602582 646529633 /nfs/dbraw/zinc/52/96/33/646529633.db2.gz BEDPBQYARYFOLZ-ABAIWWIYSA-N 1 0 384.299 2.035 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)NCC(F)F)cc1OC ZINC000280317698 646671150 /nfs/dbraw/zinc/67/11/50/646671150.db2.gz OZQNUZIWDBHSJT-UHFFFAOYSA-N 1 0 393.228 2.493 20 30 GEEDRO COC(=O)c1cn(CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000284115828 646834656 /nfs/dbraw/zinc/83/46/56/646834656.db2.gz SWEMDGIDUHQIHL-VIFPVBQESA-N 1 0 385.255 2.037 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000284379494 646840119 /nfs/dbraw/zinc/84/01/19/646840119.db2.gz YMVZOARJXRACHA-UHFFFAOYSA-N 1 0 381.929 2.315 20 30 GEEDRO C[NH+]=C(NCCCOc1ccc(Cl)cc1Cl)NCCN1CCOCC1 ZINC000303873278 647278532 /nfs/dbraw/zinc/27/85/32/647278532.db2.gz GSBXNYAEKCRRIT-UHFFFAOYSA-N 1 0 389.327 2.260 20 30 GEEDRO [NH2+]=C(NCCOc1ccc(Br)cc1C(F)(F)F)N1CCOCC1 ZINC000305754436 647279365 /nfs/dbraw/zinc/27/93/65/647279365.db2.gz WENHTPAXFBVRLA-UHFFFAOYSA-N 1 0 396.207 2.494 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000330538103 647343463 /nfs/dbraw/zinc/34/34/63/647343463.db2.gz KXUVGXXUOUKNHB-NWDGAFQWSA-N 1 0 386.290 2.390 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccncc1I ZINC000330827613 647353850 /nfs/dbraw/zinc/35/38/50/647353850.db2.gz SEABWWOIYJVRRT-LLVKDONJSA-N 1 0 388.253 2.308 20 30 GEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C#N)c1Br ZINC000331309121 647379444 /nfs/dbraw/zinc/37/94/44/647379444.db2.gz GYFIVAGBUIRYSZ-GFCCVEGCSA-N 1 0 380.286 2.238 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000361121280 647559975 /nfs/dbraw/zinc/55/99/75/647559975.db2.gz GJNOLFHAAIFETL-BMFZPTHFSA-N 1 0 383.901 2.084 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362160412 647567446 /nfs/dbraw/zinc/56/74/46/647567446.db2.gz KGYNWKBPHUQSII-WQVCFCJDSA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367577614 647739356 /nfs/dbraw/zinc/73/93/56/647739356.db2.gz CZCGACBOWJNVPX-HOTGVXAUSA-N 1 0 393.285 2.384 20 30 GEEDRO N#Cc1ccc(Br)cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000413012906 648056156 /nfs/dbraw/zinc/05/61/56/648056156.db2.gz XZXHBHTZAVZALD-UHFFFAOYSA-N 1 0 378.270 2.443 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409186 648114982 /nfs/dbraw/zinc/11/49/82/648114982.db2.gz UHRMFNWCZXXBTH-BXUZGUMPSA-N 1 0 386.315 2.281 20 30 GEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416555704 648170349 /nfs/dbraw/zinc/17/03/49/648170349.db2.gz KWUXAFHMUROAGZ-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418767568 648310954 /nfs/dbraw/zinc/31/09/54/648310954.db2.gz OAGOGPJYBOMKJQ-CQSZACIVSA-N 1 0 386.265 2.274 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419673127 648362273 /nfs/dbraw/zinc/36/22/73/648362273.db2.gz IGHIOHYNKVWLFF-QWHCGFSZSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419690828 648365238 /nfs/dbraw/zinc/36/52/38/648365238.db2.gz CSNJLKOHRILVRL-SMDDNHRTSA-N 1 0 393.285 2.058 20 30 GEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419711074 648369091 /nfs/dbraw/zinc/36/90/91/648369091.db2.gz JHMJXLPUYBUJLU-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419737240 648373279 /nfs/dbraw/zinc/37/32/79/648373279.db2.gz UJWZREMSXMMARL-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000421286609 648483363 /nfs/dbraw/zinc/48/33/63/648483363.db2.gz FQJXRYUVFUSHQE-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Br)cc1 ZINC000424088468 648611917 /nfs/dbraw/zinc/61/19/17/648611917.db2.gz JGOZJPHUBZVRCP-KGLIPLIRSA-N 1 0 382.258 2.191 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424114900 648614255 /nfs/dbraw/zinc/61/42/55/648614255.db2.gz SSMNPEJCDDPQRO-CYBMUJFWSA-N 1 0 381.274 2.224 20 30 GEEDRO Cc1cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2=O)ccc1Br ZINC000424172562 648615246 /nfs/dbraw/zinc/61/52/46/648615246.db2.gz NDMVALBPLRDPHX-CABCVRRESA-N 1 0 393.285 2.000 20 30 GEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425756219 648695520 /nfs/dbraw/zinc/69/55/20/648695520.db2.gz LMGHHBSAJHVFSN-LBPRGKRZSA-N 1 0 397.317 2.076 20 30 GEEDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000440832788 648814998 /nfs/dbraw/zinc/81/49/98/648814998.db2.gz MWRXLLHRTAUPTB-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc(Br)c1C#N ZINC000563530745 651530436 /nfs/dbraw/zinc/53/04/36/651530436.db2.gz CFHFFZWSNPHDBW-LLVKDONJSA-N 1 0 393.285 2.168 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000563664372 651535865 /nfs/dbraw/zinc/53/58/65/651535865.db2.gz VKGOCAQNSWASJX-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000565609468 651593319 /nfs/dbraw/zinc/59/33/19/651593319.db2.gz OOYLROCTGCKHEQ-CYBMUJFWSA-N 1 0 395.276 2.251 20 30 GEEDRO CC(C)(CO)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568683480 651676283 /nfs/dbraw/zinc/67/62/83/651676283.db2.gz LMZLRZVVZICMTQ-MRXNPFEDSA-N 1 0 379.507 2.138 20 30 GEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1[NH+](C)C ZINC000611432561 651723974 /nfs/dbraw/zinc/72/39/74/651723974.db2.gz HVJIKVJLWKXPSV-DJSGYFEHSA-N 1 0 378.567 2.413 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000570392480 651764614 /nfs/dbraw/zinc/76/46/14/651764614.db2.gz JPOHBQZNIVVZNY-LBPRGKRZSA-N 1 0 380.221 2.938 20 30 GEEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508283 652062964 /nfs/dbraw/zinc/06/29/64/652062964.db2.gz NPZBVNZCABFSPB-INIZCTEOSA-N 1 0 384.933 2.277 20 30 GEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000576822169 652145931 /nfs/dbraw/zinc/14/59/31/652145931.db2.gz XSNOYNARNCMXML-INIZCTEOSA-N 1 0 391.313 2.107 20 30 GEEDRO C#CCN1CCN(C(=O)C[N@H+](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000748813607 652217798 /nfs/dbraw/zinc/21/77/98/652217798.db2.gz OBRPNXBVNGCULH-UHFFFAOYSA-N 1 0 392.341 2.437 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000578803084 652295104 /nfs/dbraw/zinc/29/51/04/652295104.db2.gz JECSJSFPSVLSMI-OAHLLOKOSA-N 1 0 384.571 2.475 20 30 GEEDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000581230143 652407226 /nfs/dbraw/zinc/40/72/26/652407226.db2.gz URHVKMRZAZVCEV-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CC[C@@]1(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)CCC[NH2+]1 ZINC000662458504 652462076 /nfs/dbraw/zinc/46/20/76/652462076.db2.gz NSJIWQGKKJCXTN-KRWDZBQOSA-N 1 0 385.555 2.093 20 30 GEEDRO C=CC[C@@]1(C(=O)NC[C@H](O)COc2ccccc2Br)CCC[NH2+]1 ZINC000662639835 652469535 /nfs/dbraw/zinc/46/95/35/652469535.db2.gz LSMSIWWHCNGNBO-GUYCJALGSA-N 1 0 383.286 2.003 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Br ZINC000583994198 652505267 /nfs/dbraw/zinc/50/52/67/652505267.db2.gz RAMJHDVTNZDYNE-UHFFFAOYSA-N 1 0 398.326 2.475 20 30 GEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316840 652565586 /nfs/dbraw/zinc/56/55/86/652565586.db2.gz XAMVLEVJMMNKML-SNVBAGLBSA-N 1 0 376.194 2.474 20 30 GEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000590749195 652580072 /nfs/dbraw/zinc/58/00/72/652580072.db2.gz IRPSTZLYDONFGF-UHFFFAOYSA-N 1 0 392.294 2.422 20 30 GEEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150960 652589256 /nfs/dbraw/zinc/58/92/56/652589256.db2.gz KYOKEWJFJIXWNB-IUODEOHRSA-N 1 0 389.677 2.193 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667506196 652609196 /nfs/dbraw/zinc/60/91/96/652609196.db2.gz NIBXGMBMXASKJC-ZDUSSCGKSA-N 1 0 396.285 2.211 20 30 GEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593516069 652623632 /nfs/dbraw/zinc/62/36/32/652623632.db2.gz MBDBHKMWEBIZCF-MRXNPFEDSA-N 1 0 382.302 2.336 20 30 GEEDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000593718173 652633410 /nfs/dbraw/zinc/63/34/10/652633410.db2.gz MXFWZPJABSJGGJ-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO C[C@H](CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+](C)C ZINC000594820323 652688319 /nfs/dbraw/zinc/68/83/19/652688319.db2.gz BFXXBRFENPXUCV-SECBINFHSA-N 1 0 378.267 2.078 20 30 GEEDRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1Br ZINC000598730084 652832054 /nfs/dbraw/zinc/83/20/54/652832054.db2.gz QVRVALXLNJEMFA-GJZGRUSLSA-N 1 0 399.329 2.499 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000599100623 652849584 /nfs/dbraw/zinc/84/95/84/652849584.db2.gz KUPNKVPLNIZUMB-GHMZBOCLSA-N 1 0 381.807 2.359 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000600031907 652899386 /nfs/dbraw/zinc/89/93/86/652899386.db2.gz PVIXCNAFFIPFSQ-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601972779 653134337 /nfs/dbraw/zinc/13/43/37/653134337.db2.gz PAGYTPXVQYWMAA-MRXNPFEDSA-N 1 0 378.881 2.351 20 30 GEEDRO C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000602094463 653146747 /nfs/dbraw/zinc/14/67/47/653146747.db2.gz UIOKTTKTLUECJG-CJNGLKHVSA-N 1 0 379.302 2.108 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807114265 653184893 /nfs/dbraw/zinc/18/48/93/653184893.db2.gz MNKNMPBFULDXMJ-CZUORRHYSA-N 1 0 394.313 2.038 20 30 GEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000602530000 653188443 /nfs/dbraw/zinc/18/84/43/653188443.db2.gz SDEIACIROMURPG-CQSZACIVSA-N 1 0 385.917 2.307 20 30 GEEDRO CN1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccc(Br)cc1 ZINC000602654316 653198376 /nfs/dbraw/zinc/19/83/76/653198376.db2.gz LCSBFFUUOUYSOV-JKSUJKDBSA-N 1 0 389.301 2.337 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000774141171 653226226 /nfs/dbraw/zinc/22/62/26/653226226.db2.gz IKRWGVYOQYJKHF-LBPRGKRZSA-N 1 0 383.286 2.347 20 30 GEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000641759809 653233245 /nfs/dbraw/zinc/23/32/45/653233245.db2.gz JLSXINDLJBUJAF-SWLSCSKDSA-N 1 0 385.302 2.379 20 30 GEEDRO C#CCC[NH+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000809967841 653315423 /nfs/dbraw/zinc/31/54/23/653315423.db2.gz IZDOXDQKARTWFL-UHFFFAOYSA-N 1 0 399.232 2.340 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(I)c(C)c1 ZINC000836444300 653352651 /nfs/dbraw/zinc/35/26/51/653352651.db2.gz XFLLQDTUKQOHGN-UHFFFAOYSA-N 1 0 399.276 2.354 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000836820727 653379637 /nfs/dbraw/zinc/37/96/37/653379637.db2.gz SVZOUGUCAQZCEW-HNNXBMFYSA-N 1 0 399.285 2.248 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558417 653435662 /nfs/dbraw/zinc/43/56/62/653435662.db2.gz MLJHBKJRYFGGRL-CJNGLKHVSA-N 1 0 387.933 2.364 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000876567834 653436141 /nfs/dbraw/zinc/43/61/41/653436141.db2.gz GVFPOVNWZRKGEZ-HNNXBMFYSA-N 1 0 385.917 2.076 20 30 GEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(I)cc1Cl ZINC000876801377 653448571 /nfs/dbraw/zinc/44/85/71/653448571.db2.gz BSBUPMRQELXQPZ-PRHODGIISA-N 1 0 389.624 2.094 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000876785252 653448009 /nfs/dbraw/zinc/44/80/09/653448009.db2.gz RVEJLLFUCDEEHM-HIFRSBDPSA-N 1 0 386.949 2.355 20 30 GEEDRO Cc1cc(Br)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1Br ZINC000876801773 653448729 /nfs/dbraw/zinc/44/87/29/653448729.db2.gz INPXOGLBSZNEJS-PRHODGIISA-N 1 0 387.075 2.361 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802662 653449033 /nfs/dbraw/zinc/44/90/33/653449033.db2.gz RMQHEFRMNUYLIX-BXKDBHETSA-N 1 0 377.267 2.414 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(C2CC2)ncc1Br ZINC000813814289 653616644 /nfs/dbraw/zinc/61/66/44/653616644.db2.gz MPZXWSNGRKHDEG-UHFFFAOYSA-N 1 0 380.290 2.424 20 30 GEEDRO COCC[N@@H+]1CCC[C@H]1COC(=O)COc1cccc(Br)c1C#N ZINC000861037650 653644004 /nfs/dbraw/zinc/64/40/04/653644004.db2.gz DVGUEQCYRAFJIG-ZDUSSCGKSA-N 1 0 397.269 2.354 20 30 GEEDRO C#CCNC(=O)CC[N@H+](CC#C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815049104 653648117 /nfs/dbraw/zinc/64/81/17/653648117.db2.gz WYVVBICIVHGTDS-MRXNPFEDSA-N 1 0 375.266 2.347 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000782481654 653662304 /nfs/dbraw/zinc/66/23/04/653662304.db2.gz ASYIGDXNUUGMBN-UHFFFAOYSA-N 1 0 383.261 2.428 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000840541851 653688620 /nfs/dbraw/zinc/68/86/20/653688620.db2.gz AYUAMSLLCUOQBS-UHFFFAOYSA-N 1 0 386.265 2.481 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000816705095 653690805 /nfs/dbraw/zinc/69/08/05/653690805.db2.gz SPPBBMREEWQPMA-INIZCTEOSA-N 1 0 392.297 2.169 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219124 653700956 /nfs/dbraw/zinc/70/09/56/653700956.db2.gz WOVHGOCXRBNWNK-QANKJYHBSA-N 1 0 394.313 2.397 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145837 653707683 /nfs/dbraw/zinc/70/76/83/653707683.db2.gz WJTYKTVNQUVPPA-CPCISQLKSA-N 1 0 390.612 2.178 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000785576337 653712715 /nfs/dbraw/zinc/71/27/15/653712715.db2.gz ZURQLHLCKBTHDS-UHFFFAOYSA-N 1 0 382.302 2.169 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000818599426 653734464 /nfs/dbraw/zinc/73/44/64/653734464.db2.gz QIZOEASUMZTCCR-SFHVURJKSA-N 1 0 377.897 2.340 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000787627400 653741168 /nfs/dbraw/zinc/74/11/68/653741168.db2.gz QMCSPDSFPFRZDQ-MRXNPFEDSA-N 1 0 396.329 2.081 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(=O)c1C#N ZINC000791170732 653804367 /nfs/dbraw/zinc/80/43/67/653804367.db2.gz BGSHJSXDUXXNDT-CYBMUJFWSA-N 1 0 395.301 2.434 20 30 GEEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Br)c(C#N)n2)CCCO1 ZINC000883105224 653827340 /nfs/dbraw/zinc/82/73/40/653827340.db2.gz BMSFRWIUFLTPIE-GFCCVEGCSA-N 1 0 396.289 2.338 20 30 GEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883109195 653828017 /nfs/dbraw/zinc/82/80/17/653828017.db2.gz IQQJSBSCAUMMAL-UHFFFAOYSA-N 1 0 397.321 2.063 20 30 GEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883116736 653828687 /nfs/dbraw/zinc/82/86/87/653828687.db2.gz CQMFIZWTHCTBFV-LBPRGKRZSA-N 1 0 397.321 2.109 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[NH2+]CC2(C)C)nc1C ZINC000884067197 653861973 /nfs/dbraw/zinc/86/19/73/653861973.db2.gz XVDOFCLCPFWPIM-SNVBAGLBSA-N 1 0 378.527 2.369 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000884100196 653863512 /nfs/dbraw/zinc/86/35/12/653863512.db2.gz MGTZATHVICHLFI-UIORMTCPSA-N 1 0 380.261 2.386 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000884955266 653897760 /nfs/dbraw/zinc/89/77/60/653897760.db2.gz RUVFJFCZSPIXKH-OLZOCXBDSA-N 1 0 384.299 2.226 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000867806713 653990017 /nfs/dbraw/zinc/99/00/17/653990017.db2.gz HTMPHNYABNQHHN-JSGCOSHPSA-N 1 0 384.299 2.035 20 30 GEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000886889211 654006888 /nfs/dbraw/zinc/00/68/88/654006888.db2.gz LGLUAPAJZWLGHL-DZGCQCFKSA-N 1 0 375.416 2.291 20 30 GEEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2I)CCOCC1 ZINC000887123263 654020980 /nfs/dbraw/zinc/02/09/80/654020980.db2.gz HKYYBUYDSOVMBO-UHFFFAOYSA-N 1 0 398.244 2.392 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000900643739 654074363 /nfs/dbraw/zinc/07/43/63/654074363.db2.gz DNRVDVQUBZCYOL-QGZVFWFLSA-N 1 0 383.286 2.461 20 30 GEEDRO C#CCN(CN1Cc2cccc(Br)c2C1=O)C1CC[NH+](C)CC1 ZINC000902540751 654182629 /nfs/dbraw/zinc/18/26/29/654182629.db2.gz VOOZMEZDEBMSOD-UHFFFAOYSA-N 1 0 376.298 2.392 20 30 GEEDRO O=C(N1C[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]2C1)C(F)(F)F ZINC000831576909 654192136 /nfs/dbraw/zinc/19/21/36/654192136.db2.gz LNGPVLHKKVNHQV-ZJUUUORDSA-N 1 0 380.304 2.246 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941701 654210436 /nfs/dbraw/zinc/21/04/36/654210436.db2.gz YTCQZWAOCVEMGH-CPCISQLKSA-N 1 0 378.148 2.189 20 30 GEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101236 654218148 /nfs/dbraw/zinc/21/81/48/654218148.db2.gz OWFRWVXDRUZWGT-SJCJKPOMSA-N 1 0 385.917 2.309 20 30 GEEDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000903229995 654230321 /nfs/dbraw/zinc/23/03/21/654230321.db2.gz TXDWQLXBNWQOHG-UHFFFAOYSA-N 1 0 383.539 2.038 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000852359746 654235457 /nfs/dbraw/zinc/23/54/57/654235457.db2.gz LSXYXLWCIAGTDO-UHFFFAOYSA-N 1 0 380.286 2.308 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903571508 654257945 /nfs/dbraw/zinc/25/79/45/654257945.db2.gz HFGGWJCRHATMNP-RHSMWYFYSA-N 1 0 375.475 2.154 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1C(F)(F)F ZINC000871813453 654263548 /nfs/dbraw/zinc/26/35/48/654263548.db2.gz IQWHPIJJRUUASB-CRCLSJGQSA-N 1 0 398.275 2.140 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000803141496 654266015 /nfs/dbraw/zinc/26/60/15/654266015.db2.gz HVNDOFXSKODDGW-UHFFFAOYSA-N 1 0 386.334 2.172 20 30 GEEDRO Cc1nccn1CCCNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903637767 654271173 /nfs/dbraw/zinc/27/11/73/654271173.db2.gz QQVINAZSZVFOEY-UHFFFAOYSA-N 1 0 383.271 2.194 20 30 GEEDRO C[C@H]1CN(c2cc(Br)cnc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000853464076 654297409 /nfs/dbraw/zinc/29/74/09/654297409.db2.gz GXNSHRCIBIPUDC-BBRMVZONSA-N 1 0 378.318 2.178 20 30 GEEDRO C[C@@H]1CN(c2cc(Br)cnc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000853464078 654297446 /nfs/dbraw/zinc/29/74/46/654297446.db2.gz GXNSHRCIBIPUDC-CJNGLKHVSA-N 1 0 378.318 2.178 20 30 GEEDRO CCOc1cc(Br)c(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000834512575 654331283 /nfs/dbraw/zinc/33/12/83/654331283.db2.gz YVXSJPCCNMJGTH-GXTWGEPZSA-N 1 0 396.285 2.017 20 30 GEEDRO Cc1nn(-c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2)c(C)c1Br ZINC000834516696 654331764 /nfs/dbraw/zinc/33/17/64/654331764.db2.gz KVUUWIVJDDMTQR-DZGCQCFKSA-N 1 0 388.269 2.093 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000922023349 654356031 /nfs/dbraw/zinc/35/60/31/654356031.db2.gz HBXAVLFJKDBZOU-UHFFFAOYSA-N 1 0 396.310 2.039 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905588050 654368126 /nfs/dbraw/zinc/36/81/26/654368126.db2.gz STYKMIJRQFWASA-HNNXBMFYSA-N 1 0 391.269 2.036 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665426 654387961 /nfs/dbraw/zinc/38/79/61/654387961.db2.gz YBCWKKMVAIYCFR-GJZGRUSLSA-N 1 0 384.299 2.178 20 30 GEEDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417954 654474021 /nfs/dbraw/zinc/47/40/21/654474021.db2.gz XRHRJEBFCWDYOB-SUMWQHHRSA-N 1 0 391.269 2.273 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906873746 654481948 /nfs/dbraw/zinc/48/19/48/654481948.db2.gz SBOLAEHGENZYTE-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000906976388 654495063 /nfs/dbraw/zinc/49/50/63/654495063.db2.gz DTAWQKXGBAGTNQ-ZDUSSCGKSA-N 1 0 398.326 2.427 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000906986163 654496477 /nfs/dbraw/zinc/49/64/77/654496477.db2.gz HTRQHXKAICLAQV-PBHICJAKSA-N 1 0 376.507 2.376 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907318798 654531346 /nfs/dbraw/zinc/53/13/46/654531346.db2.gz NMWGTILLMRMUEL-IAQYHMDHSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000928656308 654654838 /nfs/dbraw/zinc/65/48/38/654654838.db2.gz RNOCCBIEITWGOD-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000928660933 654655165 /nfs/dbraw/zinc/65/51/65/654655165.db2.gz JXLOJZSZIDIXBA-XQRVVYSFSA-N 1 0 384.217 2.111 20 30 GEEDRO C#CCN(C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000930995017 654725938 /nfs/dbraw/zinc/72/59/38/654725938.db2.gz YTFDKFOCCKVBTO-UHFFFAOYSA-N 1 0 382.291 2.166 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000931389651 654740587 /nfs/dbraw/zinc/74/05/87/654740587.db2.gz IUCDTTUAZIDPEH-UHFFFAOYSA-N 1 0 376.258 2.469 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000932177685 654769198 /nfs/dbraw/zinc/76/91/98/654769198.db2.gz CMQBEOSCVWQJKE-UHFFFAOYSA-N 1 0 390.237 2.273 20 30 GEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932556410 654782085 /nfs/dbraw/zinc/78/20/85/654782085.db2.gz KXIOZNSIQSJPAK-UHFFFAOYSA-N 1 0 384.221 2.379 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932814047 654791864 /nfs/dbraw/zinc/79/18/64/654791864.db2.gz APDWDZFPAYDRNW-GOSISDBHSA-N 1 0 394.313 2.495 20 30 GEEDRO O[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939756 654794680 /nfs/dbraw/zinc/79/46/80/654794680.db2.gz JFUIMXKSNYACML-HRDYMLBCSA-N 1 0 383.279 2.365 20 30 GEEDRO CON(C)C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943117 654795292 /nfs/dbraw/zinc/79/52/92/654795292.db2.gz KVCLJKITSRHCNF-OCAPTIKFSA-N 1 0 384.267 2.499 20 30 GEEDRO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1 ZINC000946684614 654938475 /nfs/dbraw/zinc/93/84/75/654938475.db2.gz KYWDXPFUOXSNCC-QSAAJNHFSA-N 1 0 395.341 2.489 20 30 GEEDRO N#Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1F ZINC001164745551 720828568 /nfs/dbraw/zinc/82/85/68/720828568.db2.gz WRJKKEFBEHKBEZ-KZNAEPCWSA-N 1 0 381.459 2.063 20 30 GEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747682 720834995 /nfs/dbraw/zinc/83/49/95/720834995.db2.gz RHOUWOINZLDBNZ-FRQCXROJSA-N 1 0 381.459 2.063 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(Cl)c(C)c3C#N)CC[C@H]2C1 ZINC001164855613 720835486 /nfs/dbraw/zinc/83/54/86/720835486.db2.gz UJUCMJJSJOFSAV-RDJZCZTQSA-N 1 0 378.904 2.397 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164789356 721461429 /nfs/dbraw/zinc/46/14/29/721461429.db2.gz XGXMZGFMMYFCRT-LJQANCHMSA-N 1 0 399.539 2.391 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164788195 721473251 /nfs/dbraw/zinc/47/32/51/721473251.db2.gz IPFSIBDYMXKEPY-FQEVSTJZSA-N 1 0 399.539 2.391 20 30 GEEDRO N#Cc1nc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N ZINC001164903847 721534076 /nfs/dbraw/zinc/53/40/76/721534076.db2.gz DGWYYRBOWSPNJI-UKRRQHHQSA-N 1 0 398.829 2.354 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906037 721553375 /nfs/dbraw/zinc/55/33/75/721553375.db2.gz IJVBAPDTKIAORW-HKUYNNGSSA-N 1 0 396.466 2.478 20 30 GEEDRO COc1cc(C#N)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164798567 721558618 /nfs/dbraw/zinc/55/86/18/721558618.db2.gz BLCPYPQAWOCBRU-ZJOUEHCJSA-N 1 0 379.464 2.225 20 30 GEEDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165026575 721805827 /nfs/dbraw/zinc/80/58/27/721805827.db2.gz RGYJHPMZSHTYAN-SNRMKQJTSA-N 1 0 378.480 2.489 20 30 GEEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(C#N)c(C#N)n2)CC1 ZINC001165023177 721843913 /nfs/dbraw/zinc/84/39/13/721843913.db2.gz YJCCRURDGMWWKN-UHFFFAOYSA-N 1 0 392.463 2.338 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C=NO)c1 ZINC001164980290 722134357 /nfs/dbraw/zinc/13/43/57/722134357.db2.gz MNVUHMDYPIVHNN-QUCCMNQESA-N 1 0 381.480 2.320 20 30 GEEDRO CNC(=O)CC1CCN(C(NCc2cc(Br)cs2)=[NH+]C)CC1 ZINC000153044911 531585777 /nfs/dbraw/zinc/58/57/77/531585777.db2.gz PGECKWVMQHQLJK-UHFFFAOYSA-N 1 0 387.347 2.434 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C[NH+]1CCCC1 ZINC000155136943 531659938 /nfs/dbraw/zinc/65/99/38/531659938.db2.gz OMKJKHLHPHCMJF-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)o1 ZINC000174340975 532061158 /nfs/dbraw/zinc/06/11/58/532061158.db2.gz NIZXCWIAEFQUBE-GFCCVEGCSA-N 1 0 398.200 2.285 20 30 GEEDRO CCNC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440065 532298779 /nfs/dbraw/zinc/29/87/79/532298779.db2.gz GOKOWCZXBXEMGC-INIZCTEOSA-N 1 0 379.302 2.158 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183910353 532330095 /nfs/dbraw/zinc/33/00/95/532330095.db2.gz BBIGPDLBWYBMCN-SJLPKXTDSA-N 1 0 391.265 2.384 20 30 GEEDRO Cc1cc(Br)cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000189998157 532354367 /nfs/dbraw/zinc/35/43/67/532354367.db2.gz HTLRARUORUQKNS-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000190950459 532358828 /nfs/dbraw/zinc/35/88/28/532358828.db2.gz LTZZWOPPDIOXSK-UHFFFAOYSA-N 1 0 380.539 2.321 20 30 GEEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000191808028 532368453 /nfs/dbraw/zinc/36/84/53/532368453.db2.gz XHGBUZOSHRGLME-UHFFFAOYSA-N 1 0 386.315 2.177 20 30 GEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Br)cc1C#N ZINC000294998998 532395427 /nfs/dbraw/zinc/39/54/27/532395427.db2.gz VOPHQYPDGQWFBE-UHFFFAOYSA-N 1 0 393.329 2.419 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886646 532388003 /nfs/dbraw/zinc/38/80/03/532388003.db2.gz SXSNQPUWMAGMBJ-XHDPSFHLSA-N 1 0 386.315 2.281 20 30 GEEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000517230563 532410485 /nfs/dbraw/zinc/41/04/85/532410485.db2.gz GLLQCHIJDBHYGK-XYPHTWIQSA-N 1 0 384.318 2.321 20 30 GEEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000517230560 532409023 /nfs/dbraw/zinc/40/90/23/532409023.db2.gz GLLQCHIJDBHYGK-JQFCIGGWSA-N 1 0 384.318 2.321 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC[NH+](C)CC1 ZINC000591413674 532410916 /nfs/dbraw/zinc/41/09/16/532410916.db2.gz LTFAVAGRZMJYPX-LLVKDONJSA-N 1 0 393.285 2.106 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518348184 532439384 /nfs/dbraw/zinc/43/93/84/532439384.db2.gz CVZKDHOYYBVKGP-AWEZNQCLSA-N 1 0 386.297 2.353 20 30 GEEDRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593176388 532473249 /nfs/dbraw/zinc/47/32/49/532473249.db2.gz FMYAJSREUUNOSG-UHFFFAOYSA-N 1 0 394.313 2.432 20 30 GEEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc(OC)c1Br ZINC000521603482 532515959 /nfs/dbraw/zinc/51/59/59/532515959.db2.gz XGCOXNMBBMGEKB-UHFFFAOYSA-N 1 0 382.258 2.184 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000521862846 532518548 /nfs/dbraw/zinc/51/85/48/532518548.db2.gz MLOPYOUSSGJHMW-INIZCTEOSA-N 1 0 380.535 2.366 20 30 GEEDRO CCOC1CC(CNc2ncc(Br)cc2C#N)(N2CCOCC2)C1 ZINC000296779986 532541920 /nfs/dbraw/zinc/54/19/20/532541920.db2.gz NIGSPRHQZXRQQN-UHFFFAOYSA-N 1 0 395.301 2.398 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595089449 532544220 /nfs/dbraw/zinc/54/42/20/532544220.db2.gz ILTGSEUERZASPD-CYBMUJFWSA-N 1 0 393.285 2.248 20 30 GEEDRO CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1C#N ZINC000433080777 532552922 /nfs/dbraw/zinc/55/29/22/532552922.db2.gz DSIFCUXWOCZSMH-UHFFFAOYSA-N 1 0 379.869 2.370 20 30 GEEDRO NC(=NOCc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000283761840 532555195 /nfs/dbraw/zinc/55/51/95/532555195.db2.gz BAHSXKUQMDRTSS-LBPRGKRZSA-N 1 0 381.230 2.391 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000376618603 532621246 /nfs/dbraw/zinc/62/12/46/532621246.db2.gz PEHFZNAPRSJSPA-ZIAGYGMSSA-N 1 0 379.258 2.305 20 30 GEEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000567866223 532666987 /nfs/dbraw/zinc/66/69/87/532666987.db2.gz RGLOJJWMYLSSRN-MNOVXSKESA-N 1 0 376.511 2.949 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)CCOCC1 ZINC000600736934 532681027 /nfs/dbraw/zinc/68/10/27/532681027.db2.gz TVDQBKIFFCRJPL-OAHLLOKOSA-N 1 0 385.306 2.087 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)CCOCC1 ZINC000600736919 532681714 /nfs/dbraw/zinc/68/17/14/532681714.db2.gz TVDQBKIFFCRJPL-HNNXBMFYSA-N 1 0 385.306 2.087 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000600744354 532681765 /nfs/dbraw/zinc/68/17/65/532681765.db2.gz BMXMUOMUFFGTSZ-WFASDCNBSA-N 1 0 385.277 2.384 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000285587198 532693032 /nfs/dbraw/zinc/69/30/32/532693032.db2.gz XGMWHNPITIZLEL-IRXDYDNUSA-N 1 0 382.302 2.301 20 30 GEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000569635942 532700285 /nfs/dbraw/zinc/70/02/85/532700285.db2.gz LOLPUQRVLGXZCX-OLZOCXBDSA-N 1 0 386.315 2.399 20 30 GEEDRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)ccc1C#N ZINC000440631705 532718904 /nfs/dbraw/zinc/71/89/04/532718904.db2.gz AOPDBJDBMDGJIC-UHFFFAOYSA-N 1 0 385.898 2.350 20 30 GEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000286327876 532740551 /nfs/dbraw/zinc/74/05/51/532740551.db2.gz JPUBZZXNDQHKIG-GJZGRUSLSA-N 1 0 383.901 2.085 20 30 GEEDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502842970 532740822 /nfs/dbraw/zinc/74/08/22/532740822.db2.gz OOPNGJXGNLVSNL-CVEARBPZSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443518389 532748298 /nfs/dbraw/zinc/74/82/98/532748298.db2.gz GBEWJJHOXSJJAT-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000302136841 532767060 /nfs/dbraw/zinc/76/70/60/532767060.db2.gz DIWSOFVNPWNBSV-UHFFFAOYSA-N 1 0 377.286 2.065 20 30 GEEDRO COC(=O)[C@H]1CSCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000412086659 532785008 /nfs/dbraw/zinc/78/50/08/532785008.db2.gz VFFBNIRGNIQOJJ-CYBMUJFWSA-N 1 0 381.885 2.378 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Cl)c1 ZINC000542797245 532780341 /nfs/dbraw/zinc/78/03/41/532780341.db2.gz BIUQOTHLUQKNHP-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(S(C)(=O)=O)s3)C2)CC1 ZINC000329876884 532812855 /nfs/dbraw/zinc/81/28/55/532812855.db2.gz IMMJPDWYRQXMDZ-AWEZNQCLSA-N 1 0 385.555 2.229 20 30 GEEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000330417219 532817859 /nfs/dbraw/zinc/81/78/59/532817859.db2.gz BHLHMSSOZZMXAU-UHFFFAOYSA-N 1 0 376.320 2.313 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000288086542 532817158 /nfs/dbraw/zinc/81/71/58/532817158.db2.gz KFVPMTNUUKNCBM-CYBMUJFWSA-N 1 0 398.326 2.427 20 30 GEEDRO COc1ccc(Br)c(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000330813502 532827517 /nfs/dbraw/zinc/82/75/17/532827517.db2.gz CMTKYKOEERTOBL-CQSZACIVSA-N 1 0 386.290 2.134 20 30 GEEDRO C[C@@H](NC(=O)Nc1ccncc1I)C(C)(C)C[NH+](C)C ZINC000330805083 532827697 /nfs/dbraw/zinc/82/76/97/532827697.db2.gz GSMWJNSRUUTPOF-SNVBAGLBSA-N 1 0 390.269 2.410 20 30 GEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)ncc1F ZINC000273824924 532835354 /nfs/dbraw/zinc/83/53/54/532835354.db2.gz DSLROTIUJQZAPT-FZPGPQOYSA-N 1 0 383.221 2.160 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccncc2I)CC1 ZINC000273934777 532837639 /nfs/dbraw/zinc/83/76/39/532837639.db2.gz WIRXNSPOCBXGRC-UHFFFAOYSA-N 1 0 386.237 2.458 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]CCC ZINC000415516939 532848246 /nfs/dbraw/zinc/84/82/46/532848246.db2.gz HYUYFVSBILKZBN-UHFFFAOYSA-N 1 0 384.274 2.068 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000332096282 532848924 /nfs/dbraw/zinc/84/89/24/532848924.db2.gz XIZGQWJITUDCMC-HUUCEWRRSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415646491 532852229 /nfs/dbraw/zinc/85/22/29/532852229.db2.gz MVOGWNSFOOQSIS-QWHCGFSZSA-N 1 0 396.285 2.339 20 30 GEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)s1 ZINC000415834023 532859370 /nfs/dbraw/zinc/85/93/70/532859370.db2.gz KVQFWJGKYXXPNY-SECBINFHSA-N 1 0 376.404 2.252 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333867746 532874394 /nfs/dbraw/zinc/87/43/94/532874394.db2.gz RJPSFQPIKIKFPK-DOMZBBRYSA-N 1 0 398.326 2.473 20 30 GEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000290170888 532874739 /nfs/dbraw/zinc/87/47/39/532874739.db2.gz XWEKSKXQJXSGJK-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000292386456 532915828 /nfs/dbraw/zinc/91/58/28/532915828.db2.gz KAQYDEIPLHYMGX-YVEFUNNKSA-N 1 0 377.491 2.081 20 30 GEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292987597 532920783 /nfs/dbraw/zinc/92/07/83/532920783.db2.gz IEQRTMCMDLPZEI-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000293518706 532928011 /nfs/dbraw/zinc/92/80/11/532928011.db2.gz YRQTTXJJSGYJME-UHFFFAOYSA-N 1 0 376.507 2.028 20 30 GEEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000371732483 532949503 /nfs/dbraw/zinc/94/95/03/532949503.db2.gz ILVGZKBRBHTTQD-GDBMZVCRSA-N 1 0 385.555 2.031 20 30 GEEDRO C(=NNCc1ccc(-c2nn[nH]n2)cc1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000819718770 607252960 /nfs/dbraw/zinc/25/29/60/607252960.db2.gz PKTCSFVGDUAQHZ-UHFFFAOYSA-N 1 0 383.500 2.225 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)CC1 ZINC000735426366 598361536 /nfs/dbraw/zinc/36/15/36/598361536.db2.gz QBHSSBACHFADNN-GOSISDBHSA-N 1 0 384.484 2.037 20 30 GEEDRO N#Cc1cnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(Cl)c1 ZINC000737728276 598388872 /nfs/dbraw/zinc/38/88/72/598388872.db2.gz KTUZXFDFNXUSQO-UHFFFAOYSA-N 1 0 394.870 2.499 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000735426625 598532804 /nfs/dbraw/zinc/53/28/04/598532804.db2.gz TWIORILVNVLCFT-NRFANRHFSA-N 1 0 392.507 2.348 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000735426626 598532884 /nfs/dbraw/zinc/53/28/84/598532884.db2.gz TWIORILVNVLCFT-OAQYLSRUSA-N 1 0 392.507 2.348 20 30 GEEDRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000826183256 607518140 /nfs/dbraw/zinc/51/81/40/607518140.db2.gz JJHKQBYIIQOPDW-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO C[NH+](C)Cc1ccc(C(N)=NOCCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821587126 606839570 /nfs/dbraw/zinc/83/95/70/606839570.db2.gz HYTVKSQKQCKRLF-UHFFFAOYSA-N 1 0 395.467 2.034 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000821586223 607114040 /nfs/dbraw/zinc/11/40/40/607114040.db2.gz OTDJMNOVYRUMGV-UHFFFAOYSA-N 1 0 392.423 2.215 20 30 GEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000819891984 607146264 /nfs/dbraw/zinc/14/62/64/607146264.db2.gz OPRPGVQLLLMSMC-UHFFFAOYSA-N 1 0 388.479 2.385 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(CC#N)cc1 ZINC000825865759 607979421 /nfs/dbraw/zinc/97/94/21/607979421.db2.gz JULKVZLVVYAFKB-UHFFFAOYSA-N 1 0 389.463 2.137 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000825411873 609257281 /nfs/dbraw/zinc/25/72/81/609257281.db2.gz FVHUZCWRJZLYEE-VQIMIIECSA-N 1 0 396.495 2.112 20 30 GEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2=O)cc1 ZINC000826385549 609599983 /nfs/dbraw/zinc/59/99/83/609599983.db2.gz QPXZOCATFLSPOM-OAHLLOKOSA-N 1 0 379.449 2.085 20 30 GEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450080962 650059653 /nfs/dbraw/zinc/05/96/53/650059653.db2.gz IDNTYBTZDNGALU-HNNXBMFYSA-N 1 0 398.301 2.173 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000450487963 650066049 /nfs/dbraw/zinc/06/60/49/650066049.db2.gz NVZBVNGBYYFWOH-IUODEOHRSA-N 1 0 378.270 2.252 20 30 GEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000450893913 650074521 /nfs/dbraw/zinc/07/45/21/650074521.db2.gz SSXZPNRIWWHHRU-ZDUSSCGKSA-N 1 0 377.286 2.111 20 30 GEEDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450967138 650076833 /nfs/dbraw/zinc/07/68/33/650076833.db2.gz WTELVPQSLQVANU-LBPRGKRZSA-N 1 0 380.286 2.238 20 30 GEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@@H+]1C ZINC000451243254 650097695 /nfs/dbraw/zinc/09/76/95/650097695.db2.gz KKXQEANTZJKHHK-GXSJLCMTSA-N 1 0 390.278 2.221 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500184947 650371802 /nfs/dbraw/zinc/37/18/02/650371802.db2.gz PDBYGTASPPUVHO-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000510987243 650522631 /nfs/dbraw/zinc/52/26/31/650522631.db2.gz UYWXFCXOLSHNFJ-ZDUSSCGKSA-N 1 0 386.315 2.473 20 30 GEEDRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000526135280 650664351 /nfs/dbraw/zinc/66/43/51/650664351.db2.gz UUOSSRMBUFECFE-UHFFFAOYSA-N 1 0 381.274 2.154 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(F)ccc2I)CC1 ZINC000536789516 650807773 /nfs/dbraw/zinc/80/77/73/650807773.db2.gz HBMCTDPNQSMGDG-UHFFFAOYSA-N 1 0 387.196 2.148 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000110653641 643316420 /nfs/dbraw/zinc/31/64/20/643316420.db2.gz ITISUDKOFYXPPR-LBPRGKRZSA-N 1 0 396.285 2.166 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000497763059 650840212 /nfs/dbraw/zinc/84/02/12/650840212.db2.gz KAVRCZVWFCNDBV-LSDHHAIUSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000133929039 643898934 /nfs/dbraw/zinc/89/89/34/643898934.db2.gz IXICBUYNPOEUQV-ZYHUDNBSSA-N 1 0 393.340 2.383 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151287749 643935222 /nfs/dbraw/zinc/93/52/22/643935222.db2.gz KDLBOECNXLDWJQ-UHFFFAOYSA-N 1 0 379.214 2.356 20 30 GEEDRO CCc1nsc(N2CCN(C(NCc3nc(C)c(C)s3)=[NH+]C)CC2)n1 ZINC000153158998 643978604 /nfs/dbraw/zinc/97/86/04/643978604.db2.gz XWWHNEQYCNTXST-UHFFFAOYSA-N 1 0 379.559 2.071 20 30 GEEDRO CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)c2c[nH+]ccc21 ZINC000154023926 644015485 /nfs/dbraw/zinc/01/54/85/644015485.db2.gz SBEKUXOAUWOCJU-UHFFFAOYSA-N 1 0 393.266 2.361 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797170 644343920 /nfs/dbraw/zinc/34/39/20/644343920.db2.gz JMBODKGUMPNDII-BXUZGUMPSA-N 1 0 383.279 2.084 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797172 644344128 /nfs/dbraw/zinc/34/41/28/644344128.db2.gz JMBODKGUMPNDII-SMDDNHRTSA-N 1 0 383.279 2.084 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546565092 651002135 /nfs/dbraw/zinc/00/21/35/651002135.db2.gz MFXFGOLSYUHKNE-QGZVFWFLSA-N 1 0 385.302 2.179 20 30 GEEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245839712 645470342 /nfs/dbraw/zinc/47/03/42/645470342.db2.gz JMQWOQWPOQRGMD-OWCLPIDISA-N 1 0 378.567 2.283 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000261702430 645595029 /nfs/dbraw/zinc/59/50/29/645595029.db2.gz JIYRDHJMSQHEDU-UONOGXRCSA-N 1 0 381.318 2.229 20 30 GEEDRO [NH2+]=C(NCC(=O)Nc1ccc(I)cc1)NC1CCCC1 ZINC000261727440 645596767 /nfs/dbraw/zinc/59/67/67/645596767.db2.gz GTZSQZAOAPCMRJ-UHFFFAOYSA-N 1 0 386.237 2.077 20 30 GEEDRO CC[NH+]=C(NCc1csc(Br)c1)N1CCO[C@H](COC)C1 ZINC000261803536 645601697 /nfs/dbraw/zinc/60/16/97/645601697.db2.gz HBSHZZDYDZKGJV-LBPRGKRZSA-N 1 0 376.320 2.323 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N1CC[C@]2(CCOC2)C1 ZINC000261966199 645615034 /nfs/dbraw/zinc/61/50/34/645615034.db2.gz LLRIEXSHEMOBBN-KRWDZBQOSA-N 1 0 396.285 2.366 20 30 GEEDRO [NH2+]=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CCOc2ccccc21 ZINC000263024025 645650163 /nfs/dbraw/zinc/65/01/63/645650163.db2.gz AGZVZZRKQLYELC-CQSZACIVSA-N 1 0 391.269 2.039 20 30 GEEDRO Cc1ccc(Br)c(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000263181398 645656289 /nfs/dbraw/zinc/65/62/89/645656289.db2.gz UFXSGTQUZOEHFJ-UHFFFAOYSA-N 1 0 389.301 2.184 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000264386186 645682927 /nfs/dbraw/zinc/68/29/27/645682927.db2.gz MGSIITIHYZBQBO-UHFFFAOYSA-N 1 0 377.539 2.452 20 30 GEEDRO C=C(Cl)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000265613359 645781649 /nfs/dbraw/zinc/78/16/49/645781649.db2.gz CUGNZBXAVQKWOJ-UHFFFAOYSA-N 1 0 385.295 2.289 20 30 GEEDRO N#Cc1c(Cl)nsc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000266357240 645841662 /nfs/dbraw/zinc/84/16/62/645841662.db2.gz KENRIOKBBDOVCC-UHFFFAOYSA-N 1 0 381.933 2.487 20 30 GEEDRO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC ZINC000269515828 646044046 /nfs/dbraw/zinc/04/40/46/646044046.db2.gz UOFXFQNUHNVOEB-UHFFFAOYSA-N 1 0 382.507 2.390 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000271092169 646172859 /nfs/dbraw/zinc/17/28/59/646172859.db2.gz KMHUZCWHXKPYLM-QWHCGFSZSA-N 1 0 393.456 2.243 20 30 GEEDRO C[NH+](C)C/C=C/C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000271355705 646195233 /nfs/dbraw/zinc/19/52/33/646195233.db2.gz ZHYAXKUYILRGFL-REMYHPOOSA-N 1 0 391.313 2.276 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000278877029 646560831 /nfs/dbraw/zinc/56/08/31/646560831.db2.gz SHEJFXCQLFROCG-YPMHNXCESA-N 1 0 386.315 2.424 20 30 GEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)s1 ZINC000279888359 646636592 /nfs/dbraw/zinc/63/65/92/646636592.db2.gz BPDNYYWIEMCFRE-UHFFFAOYSA-N 1 0 381.523 2.197 20 30 GEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294871847 647224487 /nfs/dbraw/zinc/22/44/87/647224487.db2.gz CTAPCMLUMZYXHO-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO [NH2+]=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCCCC1 ZINC000305737606 647279154 /nfs/dbraw/zinc/27/91/54/647279154.db2.gz QIZIUILUHKCFRM-UHFFFAOYSA-N 1 0 379.404 2.160 20 30 GEEDRO O=C(NC[C@]1(O)CCSC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000329974386 647326827 /nfs/dbraw/zinc/32/68/27/647326827.db2.gz DAHYZNQYBKFIKK-SSDMNJCBSA-N 1 0 381.464 2.163 20 30 GEEDRO CC(C)[N@H+](C)CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000330450405 647337621 /nfs/dbraw/zinc/33/76/21/647337621.db2.gz XQZCRWFNOAMQPU-UHFFFAOYSA-N 1 0 391.584 2.130 20 30 GEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+](C)C ZINC000419658624 648360584 /nfs/dbraw/zinc/36/05/84/648360584.db2.gz XEJZQQPNUJOPHX-ZDUSSCGKSA-N 1 0 395.301 2.352 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694186 648365618 /nfs/dbraw/zinc/36/56/18/648365618.db2.gz JAHIUYNVEJWLGC-CYBMUJFWSA-N 1 0 393.285 2.250 20 30 GEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419698372 648366629 /nfs/dbraw/zinc/36/66/29/648366629.db2.gz YZOIDOMTNQBKBO-UHFFFAOYSA-N 1 0 395.301 2.305 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc(Br)c1C#N ZINC000425719697 648690551 /nfs/dbraw/zinc/69/05/51/648690551.db2.gz AGLSXCXVFHEXQB-UHFFFAOYSA-N 1 0 393.285 2.170 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCCC2)ccc(Br)c1C#N ZINC000425721242 648691228 /nfs/dbraw/zinc/69/12/28/648691228.db2.gz CSWWJWRMSXFGAG-UHFFFAOYSA-N 1 0 393.285 2.170 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443063515 648858535 /nfs/dbraw/zinc/85/85/35/648858535.db2.gz ARJYMIKVXVWDAQ-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000548985698 651090769 /nfs/dbraw/zinc/09/07/69/651090769.db2.gz HHABPTRHTOGNOH-CQSZACIVSA-N 1 0 382.917 2.260 20 30 GEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(C)C ZINC000557833680 651274492 /nfs/dbraw/zinc/27/44/92/651274492.db2.gz UFQXVAQBPLJXCH-AWEZNQCLSA-N 1 0 386.543 2.078 20 30 GEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000559628811 651299340 /nfs/dbraw/zinc/29/93/40/651299340.db2.gz WXJCPLDGUBBCEL-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)CC1 ZINC000603386773 651488281 /nfs/dbraw/zinc/48/82/81/651488281.db2.gz ZIPFPASYTHVHQR-UHFFFAOYSA-N 1 0 398.326 2.427 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604198018 651509847 /nfs/dbraw/zinc/50/98/47/651509847.db2.gz DLWLKXZTNCZQBS-ZDUSSCGKSA-N 1 0 396.285 2.309 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000565139138 651589382 /nfs/dbraw/zinc/58/93/82/651589382.db2.gz OEGHEOIURYADSE-UHFFFAOYSA-N 1 0 391.313 2.061 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000730137067 651591063 /nfs/dbraw/zinc/59/10/63/651591063.db2.gz CBAWIDANFADHSK-AWEZNQCLSA-N 1 0 382.917 2.359 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000565259354 651591518 /nfs/dbraw/zinc/59/15/18/651591518.db2.gz PABBVRLCKLTYSQ-LBPRGKRZSA-N 1 0 393.285 2.106 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000731636428 651629729 /nfs/dbraw/zinc/62/97/29/651629729.db2.gz DVKHQRHBHRBADW-HYXAFXHYSA-N 1 0 385.205 2.002 20 30 GEEDRO CC(C)(CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568683476 651676176 /nfs/dbraw/zinc/67/61/76/651676176.db2.gz LMZLRZVVZICMTQ-INIZCTEOSA-N 1 0 379.507 2.138 20 30 GEEDRO C#CC[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733198209 651693352 /nfs/dbraw/zinc/69/33/52/651693352.db2.gz YXGIWBXDTJRDML-DOTOQJQBSA-N 1 0 390.281 2.466 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000570161330 651750653 /nfs/dbraw/zinc/75/06/53/651750653.db2.gz UNRYZAGVMZOHEI-KGLIPLIRSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000618992050 652041057 /nfs/dbraw/zinc/04/10/57/652041057.db2.gz CXXGNVZQTJCZOX-ZDUSSCGKSA-N 1 0 384.299 2.083 20 30 GEEDRO C=C(C)CNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000747760268 652178007 /nfs/dbraw/zinc/17/80/07/652178007.db2.gz MUERBPDBANIRDA-INIZCTEOSA-N 1 0 375.604 2.045 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657681783 652191030 /nfs/dbraw/zinc/19/10/30/652191030.db2.gz RQMXIHUNPNPWKQ-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578132157 652246838 /nfs/dbraw/zinc/24/68/38/652246838.db2.gz PSPGBZSEPSQPNO-QWRGUYRKSA-N 1 0 384.274 2.194 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOCc2ccc(Cl)cc2)nc1 ZINC000581484244 652415258 /nfs/dbraw/zinc/41/52/58/652415258.db2.gz YTRSKDBRSIJXGH-UHFFFAOYSA-N 1 0 379.869 2.187 20 30 GEEDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cc(C#N)ccc2Br)C1 ZINC000754885980 652450406 /nfs/dbraw/zinc/45/04/06/652450406.db2.gz RLGXEMBULHDPBB-HNNXBMFYSA-N 1 0 381.274 2.428 20 30 GEEDRO CN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000662330077 652456086 /nfs/dbraw/zinc/45/60/86/652456086.db2.gz VDCYRZLRSVGISG-LLVKDONJSA-N 1 0 375.288 2.282 20 30 GEEDRO C=CC[C@]1(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CCC[NH2+]1 ZINC000662677438 652470280 /nfs/dbraw/zinc/47/02/80/652470280.db2.gz ZHNLRZPCHKRNEF-QGZVFWFLSA-N 1 0 379.302 2.191 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000583200085 652476752 /nfs/dbraw/zinc/47/67/52/652476752.db2.gz ODUHWIPCCZDOTJ-HNNXBMFYSA-N 1 0 379.302 2.269 20 30 GEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589319895 652565704 /nfs/dbraw/zinc/56/57/04/652565704.db2.gz XYLJELVQFBOBDN-DZGCQCFKSA-N 1 0 375.416 2.385 20 30 GEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593450510 652621514 /nfs/dbraw/zinc/62/15/14/652621514.db2.gz NFWYLRPREKHPED-QGZVFWFLSA-N 1 0 394.313 2.432 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733726 652633900 /nfs/dbraw/zinc/63/39/00/652633900.db2.gz HTSJRBWLENTBML-NHYWBVRUSA-N 1 0 384.299 2.070 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000594430910 652648539 /nfs/dbraw/zinc/64/85/39/652648539.db2.gz DADYZLJIYLBCCT-ZDUSSCGKSA-N 1 0 382.258 2.248 20 30 GEEDRO COc1cc(Br)c(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1OC ZINC000594437531 652649232 /nfs/dbraw/zinc/64/92/32/652649232.db2.gz LXBOQTWZBSSTST-ZDUSSCGKSA-N 1 0 384.274 2.494 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000594440815 652650114 /nfs/dbraw/zinc/65/01/14/652650114.db2.gz ZXNUZNNIPQIGHF-HNNXBMFYSA-N 1 0 395.301 2.096 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000594831649 652690894 /nfs/dbraw/zinc/69/08/94/652690894.db2.gz UXJQVNFYENBALU-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[NH2+]1 ZINC000595412931 652724992 /nfs/dbraw/zinc/72/49/92/652724992.db2.gz PHBYRKNIEPWIJS-CYBMUJFWSA-N 1 0 390.278 2.078 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723646 652831655 /nfs/dbraw/zinc/83/16/55/652831655.db2.gz JFIBQMWWWOUKDS-GJZGRUSLSA-N 1 0 380.286 2.445 20 30 GEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000599100571 652849262 /nfs/dbraw/zinc/84/92/62/652849262.db2.gz JVLDNAFJZPZOBP-GJZGRUSLSA-N 1 0 375.416 2.042 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357389 652863698 /nfs/dbraw/zinc/86/36/98/652863698.db2.gz QAGIDRFRZMQBRE-HZPDHXFCSA-N 1 0 383.286 2.143 20 30 GEEDRO C[C@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000599415831 652869565 /nfs/dbraw/zinc/86/95/65/652869565.db2.gz RVPNEEGOIVKEPO-IAGOWNOFSA-N 1 0 397.313 2.318 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000600031660 652899240 /nfs/dbraw/zinc/89/92/40/652899240.db2.gz NHAPBULDQFWBMA-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000600030466 652899446 /nfs/dbraw/zinc/89/94/46/652899446.db2.gz CWXZQDGPYREOAT-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601351724 653088002 /nfs/dbraw/zinc/08/80/02/653088002.db2.gz NJBMIGBURHHFCC-BXUZGUMPSA-N 1 0 384.299 2.083 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000601396682 653090954 /nfs/dbraw/zinc/09/09/54/653090954.db2.gz GONYDWDIROCBSP-HZPDHXFCSA-N 1 0 383.514 2.206 20 30 GEEDRO C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000771983554 653136028 /nfs/dbraw/zinc/13/60/28/653136028.db2.gz YTRKEFJHEHMKPL-UHFFFAOYSA-N 1 0 378.519 2.445 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000772110206 653139546 /nfs/dbraw/zinc/13/95/46/653139546.db2.gz OPBMPYIGIJZEMB-OAHLLOKOSA-N 1 0 397.244 2.003 20 30 GEEDRO C=CCN1CC[C@@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641109118 653157984 /nfs/dbraw/zinc/15/79/84/653157984.db2.gz PMQVLARHDKDYKT-CABCVRRESA-N 1 0 376.258 2.048 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000807686838 653201711 /nfs/dbraw/zinc/20/17/11/653201711.db2.gz KWFMFKPRQSFEFU-UHFFFAOYSA-N 1 0 386.334 2.174 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000774078224 653223423 /nfs/dbraw/zinc/22/34/23/653223423.db2.gz JBMDMUNXLLPRPD-AWEZNQCLSA-N 1 0 394.265 2.404 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000809593714 653283505 /nfs/dbraw/zinc/28/35/05/653283505.db2.gz QEPIDNYNHDRQPJ-GOSISDBHSA-N 1 0 394.313 2.040 20 30 GEEDRO CN(C)c1cc[nH+]cc1CN=Nc1ncnc2c1c(Br)nn2C ZINC000776180780 653341285 /nfs/dbraw/zinc/34/12/85/653341285.db2.gz QVGQWZDSAOZXPM-UHFFFAOYSA-N 1 0 375.234 2.033 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000836487835 653355645 /nfs/dbraw/zinc/35/56/45/653355645.db2.gz KMIFWNQSBHPQIE-QGZVFWFLSA-N 1 0 394.313 2.487 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000776837213 653379206 /nfs/dbraw/zinc/37/92/06/653379206.db2.gz GAISXFYISAPMBD-QGZVFWFLSA-N 1 0 396.304 2.406 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625504 653438604 /nfs/dbraw/zinc/43/86/04/653438604.db2.gz WVULNWLYEHJQDQ-NSHDSACASA-N 1 0 375.650 2.306 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893561 653452308 /nfs/dbraw/zinc/45/23/08/653452308.db2.gz MGERCSUBBWCDSJ-STQMWFEESA-N 1 0 375.778 2.175 20 30 GEEDRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000877128436 653467528 /nfs/dbraw/zinc/46/75/28/653467528.db2.gz BHLORZIOSMYFGH-MRXNPFEDSA-N 1 0 385.291 2.195 20 30 GEEDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1N=CC=CC1=O ZINC000815126800 653653158 /nfs/dbraw/zinc/65/31/58/653653158.db2.gz RJJSTLOKCLAYJY-XAGMJWQQSA-N 1 0 390.281 2.422 20 30 GEEDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861353997 653655518 /nfs/dbraw/zinc/65/55/18/653655518.db2.gz RTFYFKRZKPILFB-PBHICJAKSA-N 1 0 397.269 2.352 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145838 653707792 /nfs/dbraw/zinc/70/77/92/653707792.db2.gz WJTYKTVNQUVPPA-HQJQHLMTSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199098 653710243 /nfs/dbraw/zinc/71/02/43/653710243.db2.gz BATFEXHXHMRHEV-AAEUAGOBSA-N 1 0 379.251 2.471 20 30 GEEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000863589016 653716837 /nfs/dbraw/zinc/71/68/37/653716837.db2.gz IVSXHPQEEXCJJW-OLZOCXBDSA-N 1 0 376.678 2.470 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])CCCC#N)nc1C ZINC000818055042 653724730 /nfs/dbraw/zinc/72/47/30/653724730.db2.gz VBIBDLOGPKTYQW-JTQLQIEISA-N 1 0 377.499 2.144 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000787157150 653735109 /nfs/dbraw/zinc/73/51/09/653735109.db2.gz IZSRLSGSGJRDLR-UHFFFAOYSA-N 1 0 382.302 2.168 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCSCc2ccnc(Cl)c2)nc1 ZINC000819202544 653746130 /nfs/dbraw/zinc/74/61/30/653746130.db2.gz LMMDNKPHAJVTHM-UHFFFAOYSA-N 1 0 396.925 2.298 20 30 GEEDRO C#CCOCCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819740601 653756656 /nfs/dbraw/zinc/75/66/56/653756656.db2.gz XCNYQCUQKGOUDQ-UHFFFAOYSA-N 1 0 382.302 2.425 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(Br)cnc1Cl ZINC000842527247 653759346 /nfs/dbraw/zinc/75/93/46/653759346.db2.gz ICYWHRDIDOLDBE-UHFFFAOYSA-N 1 0 378.727 2.247 20 30 GEEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771621 653806331 /nfs/dbraw/zinc/80/63/31/653806331.db2.gz IDSGSFYGYIHDTG-GDBMZVCRSA-N 1 0 375.266 2.074 20 30 GEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CCO1 ZINC000883118169 653829122 /nfs/dbraw/zinc/82/91/22/653829122.db2.gz PRSLMVKDNWGIOJ-GFCCVEGCSA-N 1 0 396.289 2.290 20 30 GEEDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000883611164 653847696 /nfs/dbraw/zinc/84/76/96/653847696.db2.gz PRIFNIXIIHWJFU-RKDXNWHRSA-N 1 0 375.244 2.204 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(I)cc1)C2 ZINC000884045704 653861413 /nfs/dbraw/zinc/86/14/13/653861413.db2.gz DXEKGCHWTHPVKG-LOIXOFCESA-N 1 0 381.217 2.369 20 30 GEEDRO Brc1n[nH]c(Br)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000793033483 653863227 /nfs/dbraw/zinc/86/32/27/653863227.db2.gz BSUKZLNDWUELQH-OCAPTIKFSA-N 1 0 390.083 2.129 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCOc1ccc(Br)cc1)C2 ZINC000884110615 653863958 /nfs/dbraw/zinc/86/39/58/653863958.db2.gz OKXSGDROSZUVNH-UIORMTCPSA-N 1 0 378.270 2.083 20 30 GEEDRO COc1ccc(Br)cc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884114193 653864329 /nfs/dbraw/zinc/86/43/29/653864329.db2.gz KUMVTPZYJRCKIL-UIORMTCPSA-N 1 0 378.270 2.213 20 30 GEEDRO Cc1nc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1I ZINC000884291566 653871041 /nfs/dbraw/zinc/87/10/41/653871041.db2.gz BLJIAAHKERSJGH-VTWZXRTESA-N 1 0 396.232 2.073 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000884435783 653876931 /nfs/dbraw/zinc/87/69/31/653876931.db2.gz JXNJVRSUJOXMGH-NOEPWBJOSA-N 1 0 384.224 2.483 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957602 653898120 /nfs/dbraw/zinc/89/81/20/653898120.db2.gz TYBXBHWFAGQRPB-NEPJUHHUSA-N 1 0 384.299 2.226 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583966 653902160 /nfs/dbraw/zinc/90/21/60/653902160.db2.gz SXPTYIUMLJIQSG-KRWDZBQOSA-N 1 0 381.314 2.398 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000867582245 653956416 /nfs/dbraw/zinc/95/64/16/653956416.db2.gz SLSGCGQWTBDCRX-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO C#CCN(C(=O)c1cccn2ncc(Br)c12)C1CC[NH+](C)CC1 ZINC000886572510 653992153 /nfs/dbraw/zinc/99/21/53/653992153.db2.gz OPGCPFRBWILROZ-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C#CCN(C(=O)c1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000886589290 653992657 /nfs/dbraw/zinc/99/26/57/653992657.db2.gz PRVOZWFMIONLOY-UHFFFAOYSA-N 1 0 382.245 2.461 20 30 GEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662705 653994287 /nfs/dbraw/zinc/99/42/87/653994287.db2.gz KGVQRULRMWPJJI-GDBMZVCRSA-N 1 0 397.338 2.355 20 30 GEEDRO C#CCC1([NH2+]CC(=O)Nc2cccc(I)c2)CCOCC1 ZINC000887123230 654020876 /nfs/dbraw/zinc/02/08/76/654020876.db2.gz GFSYHRWIBJRMSJ-UHFFFAOYSA-N 1 0 398.244 2.392 20 30 GEEDRO CC1(C)CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)[NH2+]C1 ZINC000868268216 654026553 /nfs/dbraw/zinc/02/65/53/654026553.db2.gz AJELTJPJDJJUOK-CYBMUJFWSA-N 1 0 393.285 2.154 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877752 654045320 /nfs/dbraw/zinc/04/53/20/654045320.db2.gz BWXJAXKXCRDRQE-LZWOXQAQSA-N 1 0 387.933 2.275 20 30 GEEDRO N#C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(Br)c1 ZINC000900465300 654066026 /nfs/dbraw/zinc/06/60/26/654066026.db2.gz ZNQPFLXTKVTDBI-MRXNPFEDSA-N 1 0 378.270 2.241 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000900701631 654077205 /nfs/dbraw/zinc/07/72/05/654077205.db2.gz ZITUMURYWPHIPP-CQSZACIVSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000829794093 654080161 /nfs/dbraw/zinc/08/01/61/654080161.db2.gz REGZLQXBSVWEKT-AWEZNQCLSA-N 1 0 392.297 2.239 20 30 GEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888421083 654082936 /nfs/dbraw/zinc/08/29/36/654082936.db2.gz XPEGWOJPPHIXBI-UHFFFAOYSA-N 1 0 378.845 2.426 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943089 654211200 /nfs/dbraw/zinc/21/12/00/654211200.db2.gz WVKKUPTVTSQUFC-IBGZPJMESA-N 1 0 393.325 2.204 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC000871397408 654232786 /nfs/dbraw/zinc/23/27/86/654232786.db2.gz RZGXKPJTCLYMRU-LBPRGKRZSA-N 1 0 375.288 2.301 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1Br ZINC000903532286 654250679 /nfs/dbraw/zinc/25/06/79/654250679.db2.gz VNGXKBQDTYCOKF-IUODEOHRSA-N 1 0 384.299 2.213 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1ccc(I)s1 ZINC000852832427 654262288 /nfs/dbraw/zinc/26/22/88/654262288.db2.gz MNNCRWHJEFFAGQ-UHFFFAOYSA-N 1 0 388.274 2.014 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852861321 654263910 /nfs/dbraw/zinc/26/39/10/654263910.db2.gz BORBQLMZTISSCX-MRXNPFEDSA-N 1 0 390.325 2.395 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000852887764 654265897 /nfs/dbraw/zinc/26/58/97/654265897.db2.gz BDEOLMBFTQIOHH-MRXNPFEDSA-N 1 0 380.275 2.218 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000921827332 654328232 /nfs/dbraw/zinc/32/82/32/654328232.db2.gz ZGXOHYSLAURILP-UHFFFAOYSA-N 1 0 398.326 2.367 20 30 GEEDRO Cc1nn(-c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2)c(C)c1Br ZINC000834516698 654331791 /nfs/dbraw/zinc/33/17/91/654331791.db2.gz KVUUWIVJDDMTQR-UKRRQHHQSA-N 1 0 388.269 2.093 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000922024014 654356295 /nfs/dbraw/zinc/35/62/95/654356295.db2.gz ZGWSQOPKRIHYTB-UHFFFAOYSA-N 1 0 376.400 2.145 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000905569709 654366582 /nfs/dbraw/zinc/36/65/82/654366582.db2.gz XIUPYRGRVAYXEU-DZGCQCFKSA-N 1 0 376.400 2.422 20 30 GEEDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000835297989 654378299 /nfs/dbraw/zinc/37/82/99/654378299.db2.gz RDIVPEXYVKZZGW-HNNXBMFYSA-N 1 0 397.269 2.352 20 30 GEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000855034149 654394535 /nfs/dbraw/zinc/39/45/35/654394535.db2.gz UDUIHBRAJYQNKJ-UHFFFAOYSA-N 1 0 388.269 2.438 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000907981371 654594352 /nfs/dbraw/zinc/59/43/52/654594352.db2.gz ZVOGWEYKOYAMAW-UHFFFAOYSA-N 1 0 383.290 2.127 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000928653244 654654302 /nfs/dbraw/zinc/65/43/02/654654302.db2.gz FPZDPKOZVVPMTQ-UHFFFAOYSA-N 1 0 378.263 2.402 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000928658095 654654734 /nfs/dbraw/zinc/65/47/34/654654734.db2.gz LIRVLFJYZIQGRX-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OC)cc2I)CC1 ZINC000928656315 654654798 /nfs/dbraw/zinc/65/47/98/654654798.db2.gz RXJKKCVTCQGYTQ-UHFFFAOYSA-N 1 0 398.244 2.127 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000928660931 654655133 /nfs/dbraw/zinc/65/51/33/654655133.db2.gz JXLOJZSZIDIXBA-GQCTYLIASA-N 1 0 384.217 2.111 20 30 GEEDRO C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000931144707 654730849 /nfs/dbraw/zinc/73/08/49/654730849.db2.gz BWWUKHJCMKHMBL-AWEZNQCLSA-N 1 0 379.298 2.256 20 30 GEEDRO O[C@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939757 654794800 /nfs/dbraw/zinc/79/48/00/654794800.db2.gz JFUIMXKSNYACML-IWSPIJDZSA-N 1 0 383.279 2.365 20 30 GEEDRO CON(C)C(=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943118 654795224 /nfs/dbraw/zinc/79/52/24/654795224.db2.gz KVCLJKITSRHCNF-YUMQZZPRSA-N 1 0 384.267 2.499 20 30 GEEDRO Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945369 654795494 /nfs/dbraw/zinc/79/54/94/654795494.db2.gz WFDDRZCEJYJCEB-DTORHVGOSA-N 1 0 378.267 2.460 20 30 GEEDRO Cn1cc(CC[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945371 654795528 /nfs/dbraw/zinc/79/55/28/654795528.db2.gz WFDDRZCEJYJCEB-RKDXNWHRSA-N 1 0 378.267 2.460 20 30 GEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914118955 654827873 /nfs/dbraw/zinc/82/78/73/654827873.db2.gz BGOGZVLVJQXVSM-WMLDXEAASA-N 1 0 385.555 2.176 20 30 GEEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164400866 718861076 /nfs/dbraw/zinc/86/10/76/718861076.db2.gz ACKQXZBJBHOMPN-UHFFFAOYSA-N 1 0 391.809 2.392 20 30 GEEDRO CC(C)N(C)Cc1nn(-c2ccc(C3(C#N)CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164679619 719637069 /nfs/dbraw/zinc/63/70/69/719637069.db2.gz IUEQOFZEBABZRT-UHFFFAOYSA-N 1 0 394.523 2.325 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(Cl)c(C#N)n1)CCC2 ZINC001164810324 720213018 /nfs/dbraw/zinc/21/30/18/720213018.db2.gz CDIVTWWBKCXGNE-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164823799 720311731 /nfs/dbraw/zinc/31/17/31/720311731.db2.gz PXBOPPUUZNNYQL-VQTJNVASSA-N 1 0 381.524 2.482 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]cc(C#N)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841195 720506693 /nfs/dbraw/zinc/50/66/93/720506693.db2.gz XXIFUUVOILFOBB-RYQLBKOJSA-N 1 0 390.495 2.404 20 30 GEEDRO N#Cc1cc(C#N)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164727136 720563281 /nfs/dbraw/zinc/56/32/81/720563281.db2.gz BKYPWMBZWGBCHM-UHFFFAOYSA-N 1 0 381.871 2.333 20 30 GEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742703 720816063 /nfs/dbraw/zinc/81/60/63/720816063.db2.gz QPWYLAFRIIBZDU-YTQUADARSA-N 1 0 381.459 2.063 20 30 GEEDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C#N ZINC001164742096 720824136 /nfs/dbraw/zinc/82/41/36/720824136.db2.gz PTGXZYMRBBLANU-YSIASYRMSA-N 1 0 377.496 2.233 20 30 GEEDRO N#CCc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741935 720838952 /nfs/dbraw/zinc/83/89/52/720838952.db2.gz GDEVNKNSTCWLNC-SLFFLAALSA-N 1 0 377.496 2.119 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@H]2C1 ZINC001164861187 720865028 /nfs/dbraw/zinc/86/50/28/720865028.db2.gz XPMKHNZBIVCHON-PMACEKPBSA-N 1 0 387.600 2.484 20 30 GEEDRO Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(C#N)c(C)c1Cl ZINC001164795965 721508839 /nfs/dbraw/zinc/50/88/39/721508839.db2.gz OYWKEWBUQMYIPE-UHFFFAOYSA-N 1 0 399.930 2.188 20 30 GEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902820 721528955 /nfs/dbraw/zinc/52/89/55/721528955.db2.gz BHWYGVBRBHNQQX-SJLPKXTDSA-N 1 0 383.383 2.342 20 30 GEEDRO N#Cc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981760 722106459 /nfs/dbraw/zinc/10/64/59/722106459.db2.gz MFPUMOHTQGPUTM-WBVHZDCISA-N 1 0 384.871 2.124 20 30 GEEDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)cc1C#N ZINC001164983344 722137683 /nfs/dbraw/zinc/13/76/83/722137683.db2.gz UMWWNOOTBDLDMA-LPHOPBHVSA-N 1 0 397.454 2.223 20 30 GEEDRO C=CCOc1cc(C)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002366 722253606 /nfs/dbraw/zinc/25/36/06/722253606.db2.gz ODFNFDSTDFYZMM-UHFFFAOYSA-N 1 0 386.500 2.035 20 30 GEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055597 531780427 /nfs/dbraw/zinc/78/04/27/531780427.db2.gz FTVISPLPXVCZNY-UHFFFAOYSA-N 1 0 396.285 2.056 20 30 GEEDRO CCN(C)C(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981928 532005626 /nfs/dbraw/zinc/00/56/26/532005626.db2.gz VBEQFIGVGYQWQH-KRWDZBQOSA-N 1 0 393.329 2.500 20 30 GEEDRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000180395008 532270708 /nfs/dbraw/zinc/27/07/08/532270708.db2.gz ITXHCZSXFLICSZ-KRWDZBQOSA-N 1 0 395.301 2.400 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181084530 532290631 /nfs/dbraw/zinc/29/06/31/532290631.db2.gz WKKHKEUGGCBUQE-UHFFFAOYSA-N 1 0 393.329 2.307 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185024924 532336601 /nfs/dbraw/zinc/33/66/01/532336601.db2.gz RINUUBSGIREHSF-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO N#Cc1ccc(Br)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000191782690 532366514 /nfs/dbraw/zinc/36/65/14/532366514.db2.gz OLXDJFGVSZBRBD-UHFFFAOYSA-N 1 0 391.313 2.061 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000590665448 532380566 /nfs/dbraw/zinc/38/05/66/532380566.db2.gz IIQCWNQRNZMMJQ-ZDUSSCGKSA-N 1 0 378.270 2.396 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558097934 532385665 /nfs/dbraw/zinc/38/56/65/532385665.db2.gz JTQYZVUYLFATPS-KRWDZBQOSA-N 1 0 391.313 2.059 20 30 GEEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000294904323 532388723 /nfs/dbraw/zinc/38/87/23/532388723.db2.gz FSUKEFNYOWCWMP-LLVKDONJSA-N 1 0 378.325 2.247 20 30 GEEDRO N#Cc1c(F)ccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000372980548 532422358 /nfs/dbraw/zinc/42/23/58/532422358.db2.gz JVOSAXWUKYHINX-CQSZACIVSA-N 1 0 385.892 2.092 20 30 GEEDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000591754141 532421170 /nfs/dbraw/zinc/42/11/70/532421170.db2.gz FGKRQVWNRCOEOJ-MRXNPFEDSA-N 1 0 379.869 2.358 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000561246222 532433612 /nfs/dbraw/zinc/43/36/12/532433612.db2.gz ZYBGHNPIYGVRQS-LBPRGKRZSA-N 1 0 393.285 2.106 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000518843020 532447880 /nfs/dbraw/zinc/44/78/80/532447880.db2.gz QDFOINXITSDNBN-YOEHRIQHSA-N 1 0 376.507 2.376 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000592381959 532453383 /nfs/dbraw/zinc/45/33/83/532453383.db2.gz BURSFQKJKJFBAW-VHRBIJSZSA-N 1 0 384.299 2.069 20 30 GEEDRO CC[N@@H+]1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757933 532460011 /nfs/dbraw/zinc/46/00/11/532460011.db2.gz APIXUDNTJOENIZ-INIZCTEOSA-N 1 0 391.313 2.357 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000374399383 532500957 /nfs/dbraw/zinc/50/09/57/532500957.db2.gz BHRZJRWLPJADQM-HZPDHXFCSA-N 1 0 384.571 2.276 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000595133203 532545394 /nfs/dbraw/zinc/54/53/94/532545394.db2.gz YHXMLFWQIHQHIV-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO CC[C@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000245909081 532526513 /nfs/dbraw/zinc/52/65/13/532526513.db2.gz UWNBIBIDRNFKRS-JKSUJKDBSA-N 1 0 378.567 2.284 20 30 GEEDRO C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@]1(O)CCSC1 ZINC000262044229 532582591 /nfs/dbraw/zinc/58/25/91/532582591.db2.gz YSUQHLIRTDQPOF-HIFRSBDPSA-N 1 0 378.325 2.060 20 30 GEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccc(Cl)cn2)=[NH+]C2CCCC2)C1 ZINC000262398928 532592122 /nfs/dbraw/zinc/59/21/22/532592122.db2.gz NIVHRVGWCYJUBX-ZDUSSCGKSA-N 1 0 384.933 2.148 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000375746898 532581416 /nfs/dbraw/zinc/58/14/16/532581416.db2.gz XXBHBCFWYPLCCB-ZDUSSCGKSA-N 1 0 384.299 2.180 20 30 GEEDRO COc1ccc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)c(Br)c1 ZINC000597165481 532613965 /nfs/dbraw/zinc/61/39/65/532613965.db2.gz JMOWIUMIDMLUJS-UHFFFAOYSA-N 1 0 380.286 2.494 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284884124 532629935 /nfs/dbraw/zinc/62/99/35/532629935.db2.gz TWWWPVCHNTTXBK-QMTHXVAHSA-N 1 0 381.274 2.285 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376915038 532636027 /nfs/dbraw/zinc/63/60/27/532636027.db2.gz CQDQXUSPJDZWEE-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263723754 532637140 /nfs/dbraw/zinc/63/71/40/532637140.db2.gz OYHMORPFEZDASS-ZDUSSCGKSA-N 1 0 392.297 2.238 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567734318 532660411 /nfs/dbraw/zinc/66/04/11/532660411.db2.gz CNJMVFHEQQAEAW-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO N#Cc1cc(CN2CCOCC2)cn(Cc2ccc(Br)s2)c1=O ZINC000567318307 532649396 /nfs/dbraw/zinc/64/93/96/532649396.db2.gz CFOCNZPJZGDONZ-UHFFFAOYSA-N 1 0 394.294 2.424 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCOc2ccc(Br)cc2)CCOCC1 ZINC000600722313 532679669 /nfs/dbraw/zinc/67/96/69/532679669.db2.gz QNYIIQJJKIWJOS-OAHLLOKOSA-N 1 0 383.286 2.489 20 30 GEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000410159880 532735996 /nfs/dbraw/zinc/73/59/96/532735996.db2.gz WJVGKDIQGHLVRW-CQSZACIVSA-N 1 0 393.456 2.293 20 30 GEEDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502842972 532740564 /nfs/dbraw/zinc/74/05/64/532740564.db2.gz OOPNGJXGNLVSNL-HZPDHXFCSA-N 1 0 378.567 2.284 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000411243504 532751449 /nfs/dbraw/zinc/75/14/49/532751449.db2.gz LRFXGDJDISDXMG-ZDUSSCGKSA-N 1 0 396.285 2.163 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)C[NH+](C)C ZINC000286912748 532775073 /nfs/dbraw/zinc/77/50/73/532775073.db2.gz HSVQUAQAUOBQHZ-NSHDSACASA-N 1 0 384.274 2.165 20 30 GEEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000287227873 532786865 /nfs/dbraw/zinc/78/68/65/532786865.db2.gz NRACQSFLCBXNAL-ZDUSSCGKSA-N 1 0 394.317 2.326 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000326526447 532790153 /nfs/dbraw/zinc/79/01/53/532790153.db2.gz GCDLASHSIHRMBH-GUYCJALGSA-N 1 0 391.269 2.260 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCCC1 ZINC000287648231 532804406 /nfs/dbraw/zinc/80/44/06/532804406.db2.gz ZVHNRKACFUUJCV-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287645722 532804461 /nfs/dbraw/zinc/80/44/61/532804461.db2.gz NYSAHLULRSQTAO-UHFFFAOYSA-N 1 0 391.269 2.026 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000330374269 532817607 /nfs/dbraw/zinc/81/76/07/532817607.db2.gz MNVUJJKNMAEEFL-KGLIPLIRSA-N 1 0 393.456 2.243 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677141 532825183 /nfs/dbraw/zinc/82/51/83/532825183.db2.gz UXAONPWNDBIAOL-RYUDHWBXSA-N 1 0 386.315 2.472 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000415041647 532837562 /nfs/dbraw/zinc/83/75/62/532837562.db2.gz PRDUSPXKKDAZKM-AWEZNQCLSA-N 1 0 385.302 2.491 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288757203 532837763 /nfs/dbraw/zinc/83/77/63/532837763.db2.gz NVTCKVDOCXRYMH-AWEZNQCLSA-N 1 0 387.249 2.383 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415428718 532844704 /nfs/dbraw/zinc/84/47/04/532844704.db2.gz AMWDIYQEMZLGIU-LBPRGKRZSA-N 1 0 384.274 2.052 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000332096278 532848780 /nfs/dbraw/zinc/84/87/80/532848780.db2.gz XIZGQWJITUDCMC-CABCVRRESA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415620579 532851261 /nfs/dbraw/zinc/85/12/61/532851261.db2.gz VDCBRXHZDOTYHJ-RISCZKNCSA-N 1 0 396.285 2.067 20 30 GEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1C#N ZINC000415843062 532860060 /nfs/dbraw/zinc/86/00/60/532860060.db2.gz RZMBXRDVAZHADW-SNVBAGLBSA-N 1 0 376.404 2.252 20 30 GEEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000289864341 532866743 /nfs/dbraw/zinc/86/67/43/532866743.db2.gz NIHRBQGGJMGTQP-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000333649111 532871543 /nfs/dbraw/zinc/87/15/43/532871543.db2.gz JMKPUUFHOFFXGC-ZBFHGGJFSA-N 1 0 383.901 2.119 20 30 GEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000420730061 532885966 /nfs/dbraw/zinc/88/59/66/532885966.db2.gz CXKCBNNCOXLVDQ-NSHDSACASA-N 1 0 390.278 2.175 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000366939909 532922263 /nfs/dbraw/zinc/92/22/63/532922263.db2.gz BMMQTPQKAZJWCX-INIZCTEOSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000367475840 532925511 /nfs/dbraw/zinc/92/55/11/532925511.db2.gz SAJFGHPKNTWUJX-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000293520596 532927965 /nfs/dbraw/zinc/92/79/65/532927965.db2.gz YVIFNHNCVDZKIE-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000293381368 532926105 /nfs/dbraw/zinc/92/61/05/532926105.db2.gz MWVJIKBSYSNVCT-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736309169 599490659 /nfs/dbraw/zinc/49/06/59/599490659.db2.gz LJPOALZDPCONKI-QGZVFWFLSA-N 1 0 388.435 2.485 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823914332 607552647 /nfs/dbraw/zinc/55/26/47/607552647.db2.gz GIAGIQASIMAZQH-SFHVURJKSA-N 1 0 380.408 2.497 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821584868 606019590 /nfs/dbraw/zinc/01/95/90/606019590.db2.gz VOYCZRJDXFGIEI-UHFFFAOYSA-N 1 0 376.852 2.219 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819722271 607022129 /nfs/dbraw/zinc/02/21/29/607022129.db2.gz FSTBOYWAGMMDMZ-UHFFFAOYSA-N 1 0 384.484 2.181 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823920164 608411289 /nfs/dbraw/zinc/41/12/89/608411289.db2.gz YUPAJDOAFPUWPJ-UHFFFAOYSA-N 1 0 393.495 2.316 20 30 GEEDRO N#CCC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381699 608555789 /nfs/dbraw/zinc/55/57/89/608555789.db2.gz VPUDVPDTSKWIOX-HKUYNNGSSA-N 1 0 378.436 2.241 20 30 GEEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826384783 609457607 /nfs/dbraw/zinc/45/76/07/609457607.db2.gz JQIFKNLAEOAJRO-UHFFFAOYSA-N 1 0 399.462 2.098 20 30 GEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2=O)cc1 ZINC000826385548 609600030 /nfs/dbraw/zinc/60/00/30/609600030.db2.gz QPXZOCATFLSPOM-HNNXBMFYSA-N 1 0 379.449 2.085 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000449650983 650045011 /nfs/dbraw/zinc/04/50/11/650045011.db2.gz MPJSGCJHOMVZJG-JKSUJKDBSA-N 1 0 378.270 2.443 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449845565 650053213 /nfs/dbraw/zinc/05/32/13/650053213.db2.gz QILPTSGWJDYCMC-UHFFFAOYSA-N 1 0 378.270 2.466 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449841812 650053264 /nfs/dbraw/zinc/05/32/64/650053264.db2.gz BMOWXHWDFSZKIC-UHFFFAOYSA-N 1 0 378.270 2.466 20 30 GEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449858839 650053957 /nfs/dbraw/zinc/05/39/57/650053957.db2.gz FTKBIGOPUCXRGY-GXTWGEPZSA-N 1 0 378.270 2.395 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449868466 650054599 /nfs/dbraw/zinc/05/45/99/650054599.db2.gz KNLSUNKQPRTJOK-ZDUSSCGKSA-N 1 0 380.286 2.500 20 30 GEEDRO N#Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000450056577 650059103 /nfs/dbraw/zinc/05/91/03/650059103.db2.gz LNXPEMPHUYWJOT-ZDUSSCGKSA-N 1 0 378.270 2.115 20 30 GEEDRO CS[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1[NH+](C)C ZINC000450264874 650063184 /nfs/dbraw/zinc/06/31/84/650063184.db2.gz HGMQTOJJZKDNND-HUUCEWRRSA-N 1 0 398.326 2.204 20 30 GEEDRO CS[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000450264873 650063210 /nfs/dbraw/zinc/06/32/10/650063210.db2.gz HGMQTOJJZKDNND-GJZGRUSLSA-N 1 0 398.326 2.204 20 30 GEEDRO COC(=O)CCN1CCN(C(=O)c2cccc(C#N)c2Br)[C@@H](C)C1 ZINC000450407954 650064861 /nfs/dbraw/zinc/06/48/61/650064861.db2.gz UOUBMCWBFIOCFG-LBPRGKRZSA-N 1 0 394.269 2.030 20 30 GEEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451574432 650126619 /nfs/dbraw/zinc/12/66/19/650126619.db2.gz VRVBAOFORXAULF-SNVBAGLBSA-N 1 0 392.294 2.467 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000454063219 650250440 /nfs/dbraw/zinc/25/04/40/650250440.db2.gz AUFSDAAOQPGOLG-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455458415 650304804 /nfs/dbraw/zinc/30/48/04/650304804.db2.gz MLNFALYCODMDEZ-UHFFFAOYSA-N 1 0 382.306 2.326 20 30 GEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500202660 650372157 /nfs/dbraw/zinc/37/21/57/650372157.db2.gz OQTDXTVCEXUVQU-UHFFFAOYSA-N 1 0 395.301 2.305 20 30 GEEDRO CCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503282813 650417405 /nfs/dbraw/zinc/41/74/05/650417405.db2.gz KXPDHPXMKUIQOZ-KRWDZBQOSA-N 1 0 393.329 2.500 20 30 GEEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000522171961 650623199 /nfs/dbraw/zinc/62/31/99/650623199.db2.gz YQVDHTZLIUNPOM-NSHDSACASA-N 1 0 383.279 2.216 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000480734538 650629891 /nfs/dbraw/zinc/62/98/91/650629891.db2.gz QKHQYVNUWCLIMV-IRXDYDNUSA-N 1 0 383.514 2.039 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000069280143 643027959 /nfs/dbraw/zinc/02/79/59/643027959.db2.gz UTMNAVSNIARYJN-UHFFFAOYSA-N 1 0 398.301 2.371 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000106034927 643218747 /nfs/dbraw/zinc/21/87/47/643218747.db2.gz YAIAGPIUDHWJBH-UHFFFAOYSA-N 1 0 398.301 2.271 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497899862 650841172 /nfs/dbraw/zinc/84/11/72/650841172.db2.gz QOWDTLFVOVPBFM-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000498212876 650851563 /nfs/dbraw/zinc/85/15/63/650851563.db2.gz BDTZXJQEPGTJLG-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)C(C)C ZINC000498353295 650854847 /nfs/dbraw/zinc/85/48/47/650854847.db2.gz JWSXNZYVGJARCO-CQSZACIVSA-N 1 0 385.555 2.132 20 30 GEEDRO C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127818202 643786148 /nfs/dbraw/zinc/78/61/48/643786148.db2.gz RSHHJVIMYQZBMK-UHFFFAOYSA-N 1 0 384.910 2.482 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000171093709 644307970 /nfs/dbraw/zinc/30/79/70/644307970.db2.gz HPTPQTRMSKSBOK-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(I)ccc2O)CC1 ZINC000171566446 644327263 /nfs/dbraw/zinc/32/72/63/644327263.db2.gz VOSAJZNLSUEUSY-UHFFFAOYSA-N 1 0 386.233 2.377 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000194071712 645311332 /nfs/dbraw/zinc/31/13/32/645311332.db2.gz PHZADFIEVAXGRK-CQSZACIVSA-N 1 0 379.298 2.225 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000247096561 645504517 /nfs/dbraw/zinc/50/45/17/645504517.db2.gz PSYNCPFEKICEIC-CZUORRHYSA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)N(C)Cc1cc(Br)cn1C ZINC000261779119 645599349 /nfs/dbraw/zinc/59/93/49/645599349.db2.gz OZZKHBHYWHWPMZ-UHFFFAOYSA-N 1 0 392.301 2.434 20 30 GEEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCN2Cc2ccc(I)cc2)N1 ZINC000261858113 645605994 /nfs/dbraw/zinc/60/59/94/645605994.db2.gz AATBCJSTRIULHH-SWLSCSKDSA-N 1 0 398.292 2.193 20 30 GEEDRO [NH2+]=C(NCc1ccc(F)cc1Br)N1CCN(c2ncccn2)CC1 ZINC000261972233 645614622 /nfs/dbraw/zinc/61/46/22/645614622.db2.gz DOIIKSBDPHUYRP-UHFFFAOYSA-N 1 0 393.264 2.015 20 30 GEEDRO C[NH+]=C(NC[C@H](C)Oc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963536 645614715 /nfs/dbraw/zinc/61/47/15/645614715.db2.gz KWQFHFXGXJTXET-ZDUSSCGKSA-N 1 0 387.933 2.192 20 30 GEEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1 ZINC000262435376 645630274 /nfs/dbraw/zinc/63/02/74/645630274.db2.gz SZGMUIRVOPXGDC-MRXNPFEDSA-N 1 0 385.599 2.304 20 30 GEEDRO C[NH+]=C(NCCn1cccn1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262835683 645646849 /nfs/dbraw/zinc/64/68/49/645646849.db2.gz WFOMOCLXNMNZJU-CQSZACIVSA-N 1 0 391.317 2.090 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277410651 646415684 /nfs/dbraw/zinc/41/56/84/646415684.db2.gz TWDIIXSGMNZDGL-OAHLLOKOSA-N 1 0 393.325 2.062 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000278962561 646566976 /nfs/dbraw/zinc/56/69/76/646566976.db2.gz BKEUHAVUTPKZJP-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287516859 646889307 /nfs/dbraw/zinc/88/93/07/646889307.db2.gz RQSSIOXZCDELBC-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000303980593 647278577 /nfs/dbraw/zinc/27/85/77/647278577.db2.gz OGCDXPDSPBDBSU-UHFFFAOYSA-N 1 0 385.331 2.450 20 30 GEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000329652571 647322359 /nfs/dbraw/zinc/32/23/59/647322359.db2.gz KYRVJHCIOUILOV-NSHDSACASA-N 1 0 384.274 2.355 20 30 GEEDRO C[C@H](CC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000330395784 647334661 /nfs/dbraw/zinc/33/46/61/647334661.db2.gz NFHBXOFEKXXHSS-GFCCVEGCSA-N 1 0 391.584 2.130 20 30 GEEDRO COc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000330708521 647347804 /nfs/dbraw/zinc/34/78/04/647347804.db2.gz NPFAYOJJZFSQAM-UHFFFAOYSA-N 1 0 386.290 2.392 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330835987 647355112 /nfs/dbraw/zinc/35/51/12/647355112.db2.gz RHKFUNWZGHNDBP-LLVKDONJSA-N 1 0 390.278 2.222 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000332107932 647411968 /nfs/dbraw/zinc/41/19/68/647411968.db2.gz ZZURHMMRYITYAR-HZPDHXFCSA-N 1 0 385.942 2.412 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362160408 647567514 /nfs/dbraw/zinc/56/75/14/647567514.db2.gz KGYNWKBPHUQSII-KCXAZCMYSA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364922733 647649014 /nfs/dbraw/zinc/64/90/14/647649014.db2.gz YBICIZGRJBSXFW-GDBMZVCRSA-N 1 0 379.844 2.466 20 30 GEEDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416496493 648148851 /nfs/dbraw/zinc/14/88/51/648148851.db2.gz PTAKPTDWAWHSFL-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419661117 648360550 /nfs/dbraw/zinc/36/05/50/648360550.db2.gz MGCSBNCIKSROOO-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C[NH3+] ZINC000422554581 648558738 /nfs/dbraw/zinc/55/87/38/648558738.db2.gz MRWHSTDSZHJZFQ-UTUOFQBUSA-N 1 0 386.315 2.315 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443479628 648878885 /nfs/dbraw/zinc/87/88/85/648878885.db2.gz ZYZPMKDUNUKXMJ-AWEZNQCLSA-N 1 0 386.315 2.473 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000555134612 651219067 /nfs/dbraw/zinc/21/90/67/651219067.db2.gz VBECZEYWPFFWFC-MRXNPFEDSA-N 1 0 377.286 2.064 20 30 GEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000555881364 651231795 /nfs/dbraw/zinc/23/17/95/651231795.db2.gz BTGHRCLUOOHBLP-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)CC1 ZINC000603386751 651488216 /nfs/dbraw/zinc/48/82/16/651488216.db2.gz YXINNXHLZXDYDB-UHFFFAOYSA-N 1 0 398.326 2.427 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657979 651676350 /nfs/dbraw/zinc/67/63/50/651676350.db2.gz XRALDVHKXNDHEX-CQSZACIVSA-N 1 0 386.315 2.473 20 30 GEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1[NH+](C)C ZINC000611432563 651723919 /nfs/dbraw/zinc/72/39/19/651723919.db2.gz HVJIKVJLWKXPSV-SGIREYDYSA-N 1 0 378.567 2.413 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574044792 651996949 /nfs/dbraw/zinc/99/69/49/651996949.db2.gz FHGZTBDMHLNDCE-DOTOQJQBSA-N 1 0 391.313 2.158 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000618992049 652041099 /nfs/dbraw/zinc/04/10/99/652041099.db2.gz CXXGNVZQTJCZOX-CYBMUJFWSA-N 1 0 384.299 2.083 20 30 GEEDRO C=CCCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000579943249 652360124 /nfs/dbraw/zinc/36/01/24/652360124.db2.gz HHPUDJHUWDATCK-HNNXBMFYSA-N 1 0 388.555 2.045 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Cl ZINC000581717093 652423228 /nfs/dbraw/zinc/42/32/28/652423228.db2.gz UCTZGKIJBFYTPG-WMLDXEAASA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000754977986 652454319 /nfs/dbraw/zinc/45/43/19/652454319.db2.gz BXYIEQVKZFGIEE-GFCCVEGCSA-N 1 0 376.507 2.126 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000662517519 652465659 /nfs/dbraw/zinc/46/56/59/652465659.db2.gz ICHQOEWRHJDRGZ-ZDUSSCGKSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000583807841 652498067 /nfs/dbraw/zinc/49/80/67/652498067.db2.gz DCNYFUXUWUJFNM-OAHLLOKOSA-N 1 0 381.519 2.410 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000588111161 652547638 /nfs/dbraw/zinc/54/76/38/652547638.db2.gz KPRORGRLCAHMCO-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000588312981 652551799 /nfs/dbraw/zinc/55/17/99/652551799.db2.gz XZDLRWVNKQBANH-UHFFFAOYSA-N 1 0 394.317 2.468 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC000588632207 652553474 /nfs/dbraw/zinc/55/34/74/652553474.db2.gz FFRFPOPSGVUOBB-LLVKDONJSA-N 1 0 393.285 2.106 20 30 GEEDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589319899 652565602 /nfs/dbraw/zinc/56/56/02/652565602.db2.gz XYLJELVQFBOBDN-UKRRQHHQSA-N 1 0 375.416 2.385 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000590215314 652576600 /nfs/dbraw/zinc/57/66/00/652576600.db2.gz UUKHMZRAEYJAMA-KBPBESRZSA-N 1 0 391.269 2.002 20 30 GEEDRO N#Cc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000590763052 652581408 /nfs/dbraw/zinc/58/14/08/652581408.db2.gz RHFYJILUSNLAFQ-MRXNPFEDSA-N 1 0 391.313 2.107 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000593084555 652614102 /nfs/dbraw/zinc/61/41/02/652614102.db2.gz RUATYYXAAWSRCL-UHFFFAOYSA-N 1 0 392.297 2.186 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000593736496 652634308 /nfs/dbraw/zinc/63/43/08/652634308.db2.gz UDEOJCJQFRZEBE-WFASDCNBSA-N 1 0 384.299 2.070 20 30 GEEDRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425959 652648403 /nfs/dbraw/zinc/64/84/03/652648403.db2.gz NNBQXSOKCOVXTG-ZDUSSCGKSA-N 1 0 381.274 2.257 20 30 GEEDRO CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CC[N@H+](C)C1 ZINC000597944001 652793758 /nfs/dbraw/zinc/79/37/58/652793758.db2.gz BPCKVOXUMUFTDJ-INIZCTEOSA-N 1 0 391.313 2.310 20 30 GEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Br)cc1C#N ZINC000597942776 652794021 /nfs/dbraw/zinc/79/40/21/652794021.db2.gz OHNMCYVLPPEPOJ-ZDUSSCGKSA-N 1 0 381.318 2.323 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000764381648 652798064 /nfs/dbraw/zinc/79/80/64/652798064.db2.gz FWFQETQCRAICAP-ZDUSSCGKSA-N 1 0 395.301 2.139 20 30 GEEDRO C[C@@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000599415833 652869890 /nfs/dbraw/zinc/86/98/90/652869890.db2.gz RVPNEEGOIVKEPO-SJORKVTESA-N 1 0 397.313 2.318 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cn1 ZINC000601025585 652948723 /nfs/dbraw/zinc/94/87/23/652948723.db2.gz DVWLBICVDUOODY-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Br ZINC000601352436 653087883 /nfs/dbraw/zinc/08/78/83/653087883.db2.gz VATWHXJQGICAOH-DOMZBBRYSA-N 1 0 384.299 2.083 20 30 GEEDRO C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000602094466 653147435 /nfs/dbraw/zinc/14/74/35/653147435.db2.gz UIOKTTKTLUECJG-CZUORRHYSA-N 1 0 379.302 2.108 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602166604 653153294 /nfs/dbraw/zinc/15/32/94/653153294.db2.gz JHLNAEVPPVXDIM-BETUJISGSA-N 1 0 378.270 2.443 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000806857825 653177144 /nfs/dbraw/zinc/17/71/44/653177144.db2.gz XAIPUHWMIZPWSY-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000602572647 653191775 /nfs/dbraw/zinc/19/17/75/653191775.db2.gz SEXJFXAJMKGCKF-LBPRGKRZSA-N 1 0 391.946 2.368 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809459461 653273716 /nfs/dbraw/zinc/27/37/16/653273716.db2.gz YLDGXOWURSWETH-ZBFHGGJFSA-N 1 0 394.313 2.038 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(Br)cc1 ZINC000836317113 653344336 /nfs/dbraw/zinc/34/43/36/653344336.db2.gz COQSBCSMRXMNQG-JKSUJKDBSA-N 1 0 380.286 2.143 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000876567835 653436077 /nfs/dbraw/zinc/43/60/77/653436077.db2.gz GVFPOVNWZRKGEZ-OAHLLOKOSA-N 1 0 385.917 2.076 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000876644745 653440805 /nfs/dbraw/zinc/44/08/05/653440805.db2.gz HCXIMPSCBVLQAR-SECBINFHSA-N 1 0 384.670 2.481 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000876672946 653441865 /nfs/dbraw/zinc/44/18/65/653441865.db2.gz YSEHQUZEJZRDSG-CYBMUJFWSA-N 1 0 377.794 2.250 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ccc(I)cc1 ZINC000876974288 653457408 /nfs/dbraw/zinc/45/74/08/653457408.db2.gz BZKYQRPCJLSMOU-LBPRGKRZSA-N 1 0 378.641 2.420 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000838623736 653626468 /nfs/dbraw/zinc/62/64/68/653626468.db2.gz KEXGDHULLSTIKQ-MRXNPFEDSA-N 1 0 382.302 2.127 20 30 GEEDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861354001 653655567 /nfs/dbraw/zinc/65/55/67/653655567.db2.gz RTFYFKRZKPILFB-WMLDXEAASA-N 1 0 397.269 2.352 20 30 GEEDRO C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816548658 653687409 /nfs/dbraw/zinc/68/74/09/653687409.db2.gz OIGQOFBXXGQHBN-ZDUSSCGKSA-N 1 0 390.322 2.248 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)CCOCC1 ZINC000863564001 653715614 /nfs/dbraw/zinc/71/56/14/653715614.db2.gz SFOWWDHQPYXPPR-CJNGLKHVSA-N 1 0 383.286 2.143 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cn2ccnc12 ZINC000865013742 653751165 /nfs/dbraw/zinc/75/11/65/653751165.db2.gz URTXAKALPNUXHT-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000842825703 653769733 /nfs/dbraw/zinc/76/97/33/653769733.db2.gz YRSHRFRKZCZSOY-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO C#CCN(C(=O)[C@H](O)c1cnc[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825767 653776442 /nfs/dbraw/zinc/77/64/42/653776442.db2.gz GJYIIQVBOVOEAQ-GDBMZVCRSA-N 1 0 390.237 2.191 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000820612239 653778217 /nfs/dbraw/zinc/77/82/17/653778217.db2.gz SNMYIGIVNNBVNK-SJORKVTESA-N 1 0 394.313 2.269 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843459496 653787377 /nfs/dbraw/zinc/78/73/77/653787377.db2.gz FKPRDHLHAZRIOM-IUODEOHRSA-N 1 0 388.269 2.093 20 30 GEEDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1CC(C)(C)O ZINC000883103830 653827310 /nfs/dbraw/zinc/82/73/10/653827310.db2.gz HCTFYELKKBZIJI-LLVKDONJSA-N 1 0 396.289 2.025 20 30 GEEDRO C#CCN(C)CCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000883131195 653829834 /nfs/dbraw/zinc/82/98/34/653829834.db2.gz NPMMAFVSHBMMSR-AWEZNQCLSA-N 1 0 396.329 2.007 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000884100195 653863442 /nfs/dbraw/zinc/86/34/42/653863442.db2.gz MGTZATHVICHLFI-JZLYGMAVSA-N 1 0 380.261 2.386 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335668 653873085 /nfs/dbraw/zinc/87/30/85/653873085.db2.gz ZPXNPCOURYIJDE-RQGKPGFFSA-N 1 0 394.244 2.277 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCOc3cc(Br)ccc3C1)C2 ZINC000884418387 653876258 /nfs/dbraw/zinc/87/62/58/653876258.db2.gz HVNTUTUBIGTRKY-FVRSWCFKSA-N 1 0 390.281 2.309 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000825415149 653928884 /nfs/dbraw/zinc/92/88/84/653928884.db2.gz WGEPVKSWCKTYPZ-ZYHUDNBSSA-N 1 0 378.527 2.079 20 30 GEEDRO C#C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000897871371 653941165 /nfs/dbraw/zinc/94/11/65/653941165.db2.gz BEFWQTDVJTYATM-QGZVFWFLSA-N 1 0 377.282 2.350 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000827245819 653982753 /nfs/dbraw/zinc/98/27/53/653982753.db2.gz MPDPYJGNBDTZOX-CJNGLKHVSA-N 1 0 378.270 2.252 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848543515 653986800 /nfs/dbraw/zinc/98/68/00/653986800.db2.gz GWJHNGULPPAWRV-JTQLQIEISA-N 1 0 378.288 2.415 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNC1(CCO)CC[NH+](C)CC1 ZINC000848558064 653987661 /nfs/dbraw/zinc/98/76/61/653987661.db2.gz NXANQFFWDCNHQE-UHFFFAOYSA-N 1 0 381.314 2.398 20 30 GEEDRO C#CCN(C(=O)COc1cccc(Br)c1C#N)C1CC[NH+](C)CC1 ZINC000886574490 653992116 /nfs/dbraw/zinc/99/21/16/653992116.db2.gz IKVHOXIIAXKSGW-UHFFFAOYSA-N 1 0 390.281 2.256 20 30 GEEDRO C#CCN(C(=O)Cc1ccccc1I)C1CC[NH+](C)CC1 ZINC000886580046 653992510 /nfs/dbraw/zinc/99/25/10/653992510.db2.gz SVWXPIIJWYVCOC-UHFFFAOYSA-N 1 0 396.272 2.390 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CC[NH+](C)CC1 ZINC000886575563 653992673 /nfs/dbraw/zinc/99/26/73/653992673.db2.gz ACMDPMAQHADVJW-UHFFFAOYSA-N 1 0 391.269 2.201 20 30 GEEDRO CNC(NC[C@@H]1CCCN1Cc1ccc(I)cc1)=[NH+]C ZINC000849093053 654003829 /nfs/dbraw/zinc/00/38/29/654003829.db2.gz HATXUSXYMIZNGP-AWEZNQCLSA-N 1 0 386.281 2.050 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000849085403 654003891 /nfs/dbraw/zinc/00/38/91/654003891.db2.gz JLBOFVVZXBFMRI-JCNLHEQBSA-N 1 0 395.345 2.192 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000887007139 654014382 /nfs/dbraw/zinc/01/43/82/654014382.db2.gz DSXWUTSAFJNCSG-CYBMUJFWSA-N 1 0 396.285 2.163 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000900492940 654066784 /nfs/dbraw/zinc/06/67/84/654066784.db2.gz YPGYQOIZPOCYND-UHFFFAOYSA-N 1 0 394.313 2.241 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000829582647 654073099 /nfs/dbraw/zinc/07/30/99/654073099.db2.gz ORVUOHDJSCUWAR-UKRRQHHQSA-N 1 0 390.281 2.089 20 30 GEEDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)[C@@H]1c1cccnc1 ZINC000916309635 654091371 /nfs/dbraw/zinc/09/13/71/654091371.db2.gz XNAMGKYTUGKNEZ-RDJZCZTQSA-N 1 0 376.507 2.127 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC1(C#N)CCCCC1 ZINC000901728386 654144055 /nfs/dbraw/zinc/14/40/55/654144055.db2.gz MFCZLZRLYNSQLX-QWHCGFSZSA-N 1 0 394.317 2.281 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000889962003 654189484 /nfs/dbraw/zinc/18/94/84/654189484.db2.gz WSZUFJLEADTADR-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941706 654210406 /nfs/dbraw/zinc/21/04/06/654210406.db2.gz YTCQZWAOCVEMGH-RDDDGLTNSA-N 1 0 378.148 2.189 20 30 GEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930239 654212719 /nfs/dbraw/zinc/21/27/19/654212719.db2.gz KBKWPWIRUJFHQC-QWHCGFSZSA-N 1 0 381.274 2.423 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1Br ZINC000903204495 654226606 /nfs/dbraw/zinc/22/66/06/654226606.db2.gz QRNUFKMYRWZJPQ-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903488402 654240738 /nfs/dbraw/zinc/24/07/38/654240738.db2.gz ZZFQXQZIWXYLAQ-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903496239 654241449 /nfs/dbraw/zinc/24/14/49/654241449.db2.gz YCHPRMSOBHZUFO-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903525438 654249506 /nfs/dbraw/zinc/24/95/06/654249506.db2.gz IPFWNRLVNVJMEK-DZGCQCFKSA-N 1 0 375.416 2.074 20 30 GEEDRO C[C@]12CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C2(Br)Br ZINC000852901425 654266524 /nfs/dbraw/zinc/26/65/24/654266524.db2.gz HQRTWADUEHDPBC-UMNHJUIQSA-N 1 0 393.123 2.362 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580417 654261331 /nfs/dbraw/zinc/26/13/31/654261331.db2.gz UUINWHKVMMAIAF-KBPBESRZSA-N 1 0 375.416 2.388 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000852824266 654261687 /nfs/dbraw/zinc/26/16/87/654261687.db2.gz ZXTGMAXGTJSEEB-KRWDZBQOSA-N 1 0 377.282 2.352 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@H]1C(F)(F)F ZINC000871813377 654263585 /nfs/dbraw/zinc/26/35/85/654263585.db2.gz IEYIHSHEDFFMSS-PHDIDXHHSA-N 1 0 380.285 2.001 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000803128106 654265555 /nfs/dbraw/zinc/26/55/55/654265555.db2.gz UCUQFROLVJPFGW-UHFFFAOYSA-N 1 0 394.313 2.040 20 30 GEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000853116752 654280032 /nfs/dbraw/zinc/28/00/32/654280032.db2.gz ZMNQAQOJDBQBQO-WBVHZDCISA-N 1 0 386.261 2.346 20 30 GEEDRO C#C[C@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000833230822 654303828 /nfs/dbraw/zinc/30/38/28/654303828.db2.gz LENJYHJEDXEJBK-KRWDZBQOSA-N 1 0 378.314 2.267 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804642980 654316038 /nfs/dbraw/zinc/31/60/38/654316038.db2.gz BILVVHPJNUFRAJ-ZBFHGGJFSA-N 1 0 394.313 2.181 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495737 654330395 /nfs/dbraw/zinc/33/03/95/654330395.db2.gz YSOQMGVRNVIISL-DZGCQCFKSA-N 1 0 397.260 2.232 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905554007 654365484 /nfs/dbraw/zinc/36/54/84/654365484.db2.gz CYOLKKXKBOAWOK-DZGCQCFKSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905557110 654365845 /nfs/dbraw/zinc/36/58/45/654365845.db2.gz SOBKUQPDZCNWHO-HIFRSBDPSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000922283638 654381380 /nfs/dbraw/zinc/38/13/80/654381380.db2.gz FVRYJZNADLVHLY-CQSZACIVSA-N 1 0 398.268 2.127 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000923574037 654469738 /nfs/dbraw/zinc/46/97/38/654469738.db2.gz COZWCQVOTVBNNE-CYBMUJFWSA-N 1 0 388.265 2.118 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000906845142 654478802 /nfs/dbraw/zinc/47/88/02/654478802.db2.gz HCQILFGGVXJURZ-OLZOCXBDSA-N 1 0 384.299 2.226 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906920307 654487788 /nfs/dbraw/zinc/48/77/88/654487788.db2.gz DHWSOGCAFYCDAY-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063744 654505812 /nfs/dbraw/zinc/50/58/12/654505812.db2.gz RTBWLAVRBCKUPZ-LRDDRELGSA-N 1 0 398.326 2.426 20 30 GEEDRO C[N@H+](CCCCNS(=O)(=O)c1ccc(Br)c(C#N)c1)C1CC1 ZINC000907239542 654522729 /nfs/dbraw/zinc/52/27/29/654522729.db2.gz XYZPMGQEBKTCRH-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)C1CCN(S(C)(=O)=O)CC1 ZINC000924809597 654525689 /nfs/dbraw/zinc/52/56/89/654525689.db2.gz BVTFCAAPQMDRAY-HNNXBMFYSA-N 1 0 381.567 2.441 20 30 GEEDRO C#CC[N@H+](C)CCCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925314186 654540996 /nfs/dbraw/zinc/54/09/96/654540996.db2.gz RRRWYOGKUPSTGJ-MRXNPFEDSA-N 1 0 390.281 2.093 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000928653489 654654359 /nfs/dbraw/zinc/65/43/59/654654359.db2.gz OBZIZINVWVVFCE-MRXNPFEDSA-N 1 0 381.929 2.370 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000928656116 654654793 /nfs/dbraw/zinc/65/47/93/654654793.db2.gz LTEFJCPBPCSGTP-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000928659868 654655168 /nfs/dbraw/zinc/65/51/68/654655168.db2.gz BVDFLXNXZZCPQZ-UHFFFAOYSA-N 1 0 378.263 2.402 20 30 GEEDRO N#Cc1cc(Cl)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(Cl)c1 ZINC000909319133 654659666 /nfs/dbraw/zinc/65/96/66/654659666.db2.gz SHOUTJFPIGLIDM-UHFFFAOYSA-N 1 0 383.279 2.197 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnn2cccc(Br)c12 ZINC000930702810 654717738 /nfs/dbraw/zinc/71/77/38/654717738.db2.gz JQZLCWUWISABGW-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000932144549 654768174 /nfs/dbraw/zinc/76/81/74/654768174.db2.gz UHRUCDHJXJGOTF-UHFFFAOYSA-N 1 0 378.274 2.262 20 30 GEEDRO Cc1cc(I)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000932177984 654769143 /nfs/dbraw/zinc/76/91/43/654769143.db2.gz GXQSJBFDEGPGBT-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1c(Cl)ccc(I)c1F ZINC000913524283 654797082 /nfs/dbraw/zinc/79/70/82/654797082.db2.gz GVZMQWWVCCJNDP-UHFFFAOYSA-N 1 0 394.615 2.379 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913695228 654804845 /nfs/dbraw/zinc/80/48/45/654804845.db2.gz WTQOIHDKBVJCST-UHFFFAOYSA-N 1 0 394.313 2.170 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436742 654812979 /nfs/dbraw/zinc/81/29/79/654812979.db2.gz HCBLAVCYCGQPBP-KDOFPFPSSA-N 1 0 396.329 2.340 20 30 GEEDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933779845 654827447 /nfs/dbraw/zinc/82/74/47/654827447.db2.gz IAVUWECBAUSFRT-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO COCCOc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1Br ZINC000933989766 654833401 /nfs/dbraw/zinc/83/34/01/654833401.db2.gz RKHXMYNBEHYWFP-UHFFFAOYSA-N 1 0 384.274 2.161 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)nc3C#N)CC2)CC1 ZINC001164614871 719023469 /nfs/dbraw/zinc/02/34/69/719023469.db2.gz ZRSWFFJZGNZVNO-UHFFFAOYSA-N 1 0 377.876 2.246 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164684218 719700474 /nfs/dbraw/zinc/70/04/74/719700474.db2.gz NPFQVOMYCZKXSK-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1C#C[Si](C)(C)C)CC2 ZINC001164686794 719728639 /nfs/dbraw/zinc/72/86/39/719728639.db2.gz SWLJFBXJUFSTDI-UHFFFAOYSA-N 1 0 384.600 2.491 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164817199 720167250 /nfs/dbraw/zinc/16/72/50/720167250.db2.gz OWKZNQVIWIHWFR-AVRDEDQJSA-N 1 0 384.524 2.182 20 30 GEEDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1CC#N ZINC001164829313 720342653 /nfs/dbraw/zinc/34/26/53/720342653.db2.gz RCOYLLBTUXENKT-PMACEKPBSA-N 1 0 381.524 2.368 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164841191 720506497 /nfs/dbraw/zinc/50/64/97/720506497.db2.gz XXIFUUVOILFOBB-NJAFHUGGSA-N 1 0 390.495 2.404 20 30 GEEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739368 720753152 /nfs/dbraw/zinc/75/31/52/720753152.db2.gz IJHYPKFBAIYHQE-OALUTQOASA-N 1 0 399.458 2.147 20 30 GEEDRO N#Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1F ZINC001164745550 720828401 /nfs/dbraw/zinc/82/84/01/720828401.db2.gz WRJKKEFBEHKBEZ-FGTMMUONSA-N 1 0 381.459 2.063 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@H]2C1 ZINC001164864325 720886129 /nfs/dbraw/zinc/88/61/29/720886129.db2.gz VKPLCKHMRKAVQR-LRDDRELGSA-N 1 0 385.295 2.434 20 30 GEEDRO N#Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164865775 721085695 /nfs/dbraw/zinc/08/56/95/721085695.db2.gz PLAGITLFKMTQLQ-QZTJIDSGSA-N 1 0 394.866 2.353 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890992 721386224 /nfs/dbraw/zinc/38/62/24/721386224.db2.gz PZBBVCAYJXEVHN-YLJYHZDGSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893547 721386858 /nfs/dbraw/zinc/38/68/58/721386858.db2.gz VBPCMDZKSSZIAC-OXJNMPFZSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893546 721387053 /nfs/dbraw/zinc/38/70/53/721387053.db2.gz VBPCMDZKSSZIAC-JXFKEZNVSA-N 1 0 389.931 2.372 20 30 GEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(c2C#N)CCCC3)CC1 ZINC001165012851 721750040 /nfs/dbraw/zinc/75/00/40/721750040.db2.gz OYPMOQBNFUTGFJ-UHFFFAOYSA-N 1 0 381.524 2.355 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001164927937 721869829 /nfs/dbraw/zinc/86/98/29/721869829.db2.gz XHEBLHBWOAMGFF-DUXKGJEZSA-N 1 0 394.498 2.486 20 30 GEEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc(C#N)c(C#N)n4)CC3)C2)cc1 ZINC001164938634 721932089 /nfs/dbraw/zinc/93/20/89/721932089.db2.gz CAKQCMRXTRLRPC-UHFFFAOYSA-N 1 0 388.475 2.400 20 30 GEEDRO N#Cc1ncc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982835 722105981 /nfs/dbraw/zinc/10/59/81/722105981.db2.gz PHIPQZADAAKYHI-WBVHZDCISA-N 1 0 384.871 2.124 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155257173 531668058 /nfs/dbraw/zinc/66/80/58/531668058.db2.gz JAJGXAADZBIDMY-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO O=C(NCC[NH2+]Cc1cc(Br)cc2c1OCC2)C1N=CC=CC1=O ZINC000155923171 531704482 /nfs/dbraw/zinc/70/44/82/531704482.db2.gz XLIPVYOCQMQBQW-BMRADRMJSA-N 1 0 392.253 2.000 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000173271781 532000877 /nfs/dbraw/zinc/00/08/77/532000877.db2.gz XIXUQOPYCVSUNO-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000134793413 532263096 /nfs/dbraw/zinc/26/30/96/532263096.db2.gz QRPAHXCJBLLLQC-UHFFFAOYSA-N 1 0 379.302 2.311 20 30 GEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000180927416 532285524 /nfs/dbraw/zinc/28/55/24/532285524.db2.gz HGVVJRVDAMHRQU-INIZCTEOSA-N 1 0 392.297 2.392 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000181232290 532293726 /nfs/dbraw/zinc/29/37/26/532293726.db2.gz NYMMRTDIAUJROO-ZDUSSCGKSA-N 1 0 380.286 2.390 20 30 GEEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182790009 532317369 /nfs/dbraw/zinc/31/73/69/532317369.db2.gz JMQWOQWPOQRGMD-PMPSAXMXSA-N 1 0 378.567 2.283 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183910335 532330014 /nfs/dbraw/zinc/33/00/14/532330014.db2.gz BBIGPDLBWYBMCN-WMZOPIPTSA-N 1 0 391.265 2.384 20 30 GEEDRO C=C(C)CNC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br ZINC000191159361 532359785 /nfs/dbraw/zinc/35/97/85/532359785.db2.gz GDXOUNMXPYWCNA-UHFFFAOYSA-N 1 0 383.290 2.058 20 30 GEEDRO C[NH+](C)CCn1cc(NC(=O)COc2cccc(Br)c2C#N)cn1 ZINC000590665270 532381230 /nfs/dbraw/zinc/38/12/30/532381230.db2.gz XYGQZAIQTPWZQL-UHFFFAOYSA-N 1 0 392.257 2.096 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000590666699 532381406 /nfs/dbraw/zinc/38/14/06/532381406.db2.gz OOZNTODSKUYLQN-CQSZACIVSA-N 1 0 378.270 2.300 20 30 GEEDRO CN(c1ncc(Br)cc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000590690254 532382482 /nfs/dbraw/zinc/38/24/82/532382482.db2.gz XJBRYLSLGKDOCO-MRXNPFEDSA-N 1 0 378.318 2.320 20 30 GEEDRO C#CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000294834469 532386342 /nfs/dbraw/zinc/38/63/42/532386342.db2.gz XQHQONODKNBGGQ-ZDUSSCGKSA-N 1 0 380.286 2.178 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955948 532391991 /nfs/dbraw/zinc/39/19/91/532391991.db2.gz YTPUIDABLJTDKM-NHYWBVRUSA-N 1 0 393.285 2.058 20 30 GEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425741853 532392669 /nfs/dbraw/zinc/39/26/69/532392669.db2.gz NXAZHDWQGNKWPG-UHFFFAOYSA-N 1 0 395.301 2.416 20 30 GEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295019683 532397608 /nfs/dbraw/zinc/39/76/08/532397608.db2.gz ZAHPYNBWDRUIPG-AWEZNQCLSA-N 1 0 393.329 2.324 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](CCCO)CC1 ZINC000281589819 532424721 /nfs/dbraw/zinc/42/47/21/532424721.db2.gz GVNSPFWAVBZBBU-UHFFFAOYSA-N 1 0 375.270 2.373 20 30 GEEDRO C[C@H]1CC[N@H+](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767973 532461392 /nfs/dbraw/zinc/46/13/92/532461392.db2.gz CHVQRKDAIVMKHV-ZDUSSCGKSA-N 1 0 391.313 2.215 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000592792917 532465911 /nfs/dbraw/zinc/46/59/11/532465911.db2.gz HDYCPBHLHKVQBM-UHFFFAOYSA-N 1 0 389.297 2.064 20 30 GEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593465368 532484401 /nfs/dbraw/zinc/48/44/01/532484401.db2.gz QTZPNGRIFCTOIM-CQSZACIVSA-N 1 0 393.329 2.005 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000520230638 532486557 /nfs/dbraw/zinc/48/65/57/532486557.db2.gz XKBBUHRMDIZWHG-INIZCTEOSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563129208 532497595 /nfs/dbraw/zinc/49/75/95/532497595.db2.gz FBALLNOPTLVJCG-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000246012398 532529451 /nfs/dbraw/zinc/52/94/51/532529451.db2.gz YTYMQMMLPNPMRX-JKSUJKDBSA-N 1 0 378.567 2.284 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000594799661 532531656 /nfs/dbraw/zinc/53/16/56/532531656.db2.gz OSBJYBSGXUMHLT-GFCCVEGCSA-N 1 0 386.315 2.472 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433010647 532553373 /nfs/dbraw/zinc/55/33/73/532553373.db2.gz YKZVSDQNYXVGGR-ZDUSSCGKSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000596909787 532609182 /nfs/dbraw/zinc/60/91/82/532609182.db2.gz WXYMWBWPSRSSBR-HNNXBMFYSA-N 1 0 393.285 2.384 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000656272949 532611487 /nfs/dbraw/zinc/61/14/87/532611487.db2.gz LFVNMYZVCIIIEL-LSDHHAIUSA-N 1 0 397.313 2.273 20 30 GEEDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697723 532624839 /nfs/dbraw/zinc/62/48/39/532624839.db2.gz ZKWWVRCWISADPT-IRXDYDNUSA-N 1 0 392.297 2.185 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284884121 532630031 /nfs/dbraw/zinc/63/00/31/532630031.db2.gz TWWWPVCHNTTXBK-IINYFYTJSA-N 1 0 381.274 2.285 20 30 GEEDRO C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263682322 532634227 /nfs/dbraw/zinc/63/42/27/532634227.db2.gz IMQGVYYKEFEIBG-UHFFFAOYSA-N 1 0 380.286 2.402 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000567707702 532659231 /nfs/dbraw/zinc/65/92/31/532659231.db2.gz BQQBFNWHHCUARU-CQSZACIVSA-N 1 0 379.302 2.269 20 30 GEEDRO CC(=O)N1CCN(CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000264066260 532659616 /nfs/dbraw/zinc/65/96/16/532659616.db2.gz BEYUIQWMLHFTDQ-LBPRGKRZSA-N 1 0 386.327 2.123 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(Br)cn1 ZINC000298916026 532684257 /nfs/dbraw/zinc/68/42/57/532684257.db2.gz AXQMSAAOVCLROE-UHFFFAOYSA-N 1 0 390.285 2.108 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000378238375 532685131 /nfs/dbraw/zinc/68/51/31/532685131.db2.gz ZTJWGZVCNHZQBU-KBRIMQKVSA-N 1 0 383.901 2.084 20 30 GEEDRO CC[C@H](CC#N)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000568763380 532685923 /nfs/dbraw/zinc/68/59/23/532685923.db2.gz HXVBCKOSNPZTOF-GFCCVEGCSA-N 1 0 386.905 2.201 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000600724574 532679880 /nfs/dbraw/zinc/67/98/80/532679880.db2.gz BHKXTCXKNAHXJQ-INIZCTEOSA-N 1 0 394.313 2.430 20 30 GEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000569635943 532700950 /nfs/dbraw/zinc/70/09/50/532700950.db2.gz LOLPUQRVLGXZCX-QWHCGFSZSA-N 1 0 386.315 2.399 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443518391 532748393 /nfs/dbraw/zinc/74/83/93/532748393.db2.gz GBEWJJHOXSJJAT-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000411250535 532751783 /nfs/dbraw/zinc/75/17/83/532751783.db2.gz ZJBRPCQAMUBKCI-GFCCVEGCSA-N 1 0 396.285 2.020 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286813359 532769815 /nfs/dbraw/zinc/76/98/15/532769815.db2.gz IJGMEFNEZORUGH-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588986975 532772882 /nfs/dbraw/zinc/77/28/82/532772882.db2.gz SGUPTMADOTZLFC-MRXNPFEDSA-N 1 0 393.285 2.083 20 30 GEEDRO CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287056591 532780772 /nfs/dbraw/zinc/78/07/72/532780772.db2.gz AKRKCLXUEYSQFG-HUUCEWRRSA-N 1 0 379.258 2.258 20 30 GEEDRO CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056594 532780794 /nfs/dbraw/zinc/78/07/94/532780794.db2.gz AKRKCLXUEYSQFG-LSDHHAIUSA-N 1 0 379.258 2.258 20 30 GEEDRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000329360053 532806156 /nfs/dbraw/zinc/80/61/56/532806156.db2.gz XUCNPLQAMQOROL-ZDUSSCGKSA-N 1 0 383.539 2.488 20 30 GEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000329810021 532812135 /nfs/dbraw/zinc/81/21/35/532812135.db2.gz MIDPTIYFCQZUGS-CQSZACIVSA-N 1 0 377.501 2.212 20 30 GEEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCSC1 ZINC000331106180 532833175 /nfs/dbraw/zinc/83/31/75/532833175.db2.gz QWRCXZCPSYSLCT-HNNXBMFYSA-N 1 0 391.946 2.453 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288757204 532837593 /nfs/dbraw/zinc/83/75/93/532837593.db2.gz NVTCKVDOCXRYMH-CQSZACIVSA-N 1 0 387.249 2.383 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428378 532839310 /nfs/dbraw/zinc/83/93/10/532839310.db2.gz BUELBIQAGSMXBT-ZUZCIYMTSA-N 1 0 384.299 2.082 20 30 GEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000331454951 532840205 /nfs/dbraw/zinc/84/02/05/532840205.db2.gz ZXGSWWFUZZBOLV-GJZGRUSLSA-N 1 0 383.901 2.085 20 30 GEEDRO CN(CCn1cc(Br)cn1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000288946426 532842847 /nfs/dbraw/zinc/84/28/47/532842847.db2.gz XEYKJLBYNDMMSO-UHFFFAOYSA-N 1 0 382.306 2.262 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415424801 532844724 /nfs/dbraw/zinc/84/47/24/532844724.db2.gz IVDJSYKDJRTQCM-ZDUSSCGKSA-N 1 0 398.301 2.442 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000415653124 532852360 /nfs/dbraw/zinc/85/23/60/532852360.db2.gz FMSKVEHZPGFESW-LLVKDONJSA-N 1 0 384.274 2.067 20 30 GEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000415670018 532852999 /nfs/dbraw/zinc/85/29/99/532852999.db2.gz CPSKGEJNPANRRJ-CQSZACIVSA-N 1 0 393.285 2.154 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000415684334 532853583 /nfs/dbraw/zinc/85/35/83/532853583.db2.gz SZNSVHINBFZJLS-AAEUAGOBSA-N 1 0 396.285 2.209 20 30 GEEDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000415839737 532859881 /nfs/dbraw/zinc/85/98/81/532859881.db2.gz OSHITKGEOMOZDB-SECBINFHSA-N 1 0 375.244 2.179 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333735216 532872772 /nfs/dbraw/zinc/87/27/72/532872772.db2.gz WVGWBKUVPUNZEW-YOEHRIQHSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333867750 532874538 /nfs/dbraw/zinc/87/45/38/532874538.db2.gz RJPSFQPIKIKFPK-SWLSCSKDSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419724371 532882655 /nfs/dbraw/zinc/88/26/55/532882655.db2.gz HBXNQGZFHIXJJL-ZDUSSCGKSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000366472198 532917749 /nfs/dbraw/zinc/91/77/49/532917749.db2.gz KVQODYJLWXPJPE-CJNGLKHVSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)s1 ZINC000367171189 532923234 /nfs/dbraw/zinc/92/32/34/532923234.db2.gz FDUXWTMGGWGLJK-UHFFFAOYSA-N 1 0 383.539 2.058 20 30 GEEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000367675760 532926580 /nfs/dbraw/zinc/92/65/80/532926580.db2.gz ZXCUWZQEVCPKEO-LBPRGKRZSA-N 1 0 386.315 2.426 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](C)C[NH+](C)C ZINC000293644363 532929876 /nfs/dbraw/zinc/92/98/76/532929876.db2.gz DOVXEXQGKMSNSE-LBPRGKRZSA-N 1 0 398.301 2.412 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000368181575 532930594 /nfs/dbraw/zinc/93/05/94/532930594.db2.gz AIALAVNDJPNQJV-AWEZNQCLSA-N 1 0 398.326 2.331 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000445709800 649963912 /nfs/dbraw/zinc/96/39/12/649963912.db2.gz OZOKXJQPZTWSFF-GJZGRUSLSA-N 1 0 385.942 2.412 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420238 606309135 /nfs/dbraw/zinc/30/91/35/606309135.db2.gz NVOUFEXPGDJCMA-IAQYHMDHSA-N 1 0 379.449 2.256 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420239 606309223 /nfs/dbraw/zinc/30/92/23/606309223.db2.gz NVOUFEXPGDJCMA-NHYWBVRUSA-N 1 0 379.449 2.256 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(C#N)s1 ZINC000821585970 606511610 /nfs/dbraw/zinc/51/16/10/606511610.db2.gz DCLZFRQKZJRROI-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000819744190 606878614 /nfs/dbraw/zinc/87/86/14/606878614.db2.gz ZNMATLHOCUQEMV-KDOFPFPSSA-N 1 0 381.484 2.047 20 30 GEEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822837348 606896135 /nfs/dbraw/zinc/89/61/35/606896135.db2.gz KSNINZBVRICCQF-FQEVSTJZSA-N 1 0 390.447 2.315 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821584449 607201783 /nfs/dbraw/zinc/20/17/83/607201783.db2.gz DTUPUGHBDQXHLM-UHFFFAOYSA-N 1 0 376.852 2.219 20 30 GEEDRO COc1ccc(-c2nn[nH]n2)cc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000826185077 608151280 /nfs/dbraw/zinc/15/12/80/608151280.db2.gz XMTYKLKCGWGCIH-UHFFFAOYSA-N 1 0 394.435 2.263 20 30 GEEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826177002 608533775 /nfs/dbraw/zinc/53/37/75/608533775.db2.gz NLOXCYKUIRNCFP-UHFFFAOYSA-N 1 0 376.420 2.405 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000823909562 609315899 /nfs/dbraw/zinc/31/58/99/609315899.db2.gz JETRIURUKIICPK-OAHLLOKOSA-N 1 0 381.484 2.215 20 30 GEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975670 650027843 /nfs/dbraw/zinc/02/78/43/650027843.db2.gz INMDJINMNHUABB-CQSZACIVSA-N 1 0 393.329 2.324 20 30 GEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449860049 650054267 /nfs/dbraw/zinc/05/42/67/650054267.db2.gz IHKLJKLGUOGNOC-CHWSQXEVSA-N 1 0 378.270 2.395 20 30 GEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449864509 650054315 /nfs/dbraw/zinc/05/43/15/650054315.db2.gz OUBSJZPXIJVZEA-CQSZACIVSA-N 1 0 378.270 2.395 20 30 GEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449864508 650054372 /nfs/dbraw/zinc/05/43/72/650054372.db2.gz OUBSJZPXIJVZEA-AWEZNQCLSA-N 1 0 378.270 2.395 20 30 GEEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449915257 650055733 /nfs/dbraw/zinc/05/57/33/650055733.db2.gz XNJSZGZBJGMAJZ-MRXNPFEDSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108390 650060188 /nfs/dbraw/zinc/06/01/88/650060188.db2.gz VIRCFYQEIWYJCJ-IAQYHMDHSA-N 1 0 378.270 2.298 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000450481534 650065753 /nfs/dbraw/zinc/06/57/53/650065753.db2.gz BAZVDTGZCGLXSK-BLLLJJGKSA-N 1 0 378.270 2.252 20 30 GEEDRO C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000460063121 650438848 /nfs/dbraw/zinc/43/88/48/650438848.db2.gz WFPXBRQKLGNQTA-UHFFFAOYSA-N 1 0 396.329 2.374 20 30 GEEDRO CCNC(NCCCNC(=O)c1cc(OC)ccc1Br)=[NH+]CC ZINC000069672888 643037920 /nfs/dbraw/zinc/03/79/20/643037920.db2.gz BKPIALAPYYPEKS-UHFFFAOYSA-N 1 0 385.306 2.153 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000193203942 645250352 /nfs/dbraw/zinc/25/03/52/645250352.db2.gz KHDICASOONSSBW-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccc(Cl)s1 ZINC000261612261 645590151 /nfs/dbraw/zinc/59/01/51/645590151.db2.gz FYJGSQZVRIXTEV-UHFFFAOYSA-N 1 0 392.978 2.080 20 30 GEEDRO CC[NH+]=C(NCc1ccccc1Cl)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261628630 645592394 /nfs/dbraw/zinc/59/23/94/645592394.db2.gz JACKNISPDZIJLC-UHFFFAOYSA-N 1 0 386.949 2.067 20 30 GEEDRO C[NH+]=C(NCCc1c(C)nn(C)c1C)N(C)Cc1cc(Br)cn1C ZINC000261775898 645598633 /nfs/dbraw/zinc/59/86/33/645598633.db2.gz OPNZXZCKYKOIMD-UHFFFAOYSA-N 1 0 395.349 2.388 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N(C)Cc1ccon1 ZINC000261790620 645600134 /nfs/dbraw/zinc/60/01/34/645600134.db2.gz QHQXDGUREKEWKK-UHFFFAOYSA-N 1 0 395.257 2.416 20 30 GEEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN2Cc2ccc(I)cc2)N1 ZINC000261858110 645605978 /nfs/dbraw/zinc/60/59/78/645605978.db2.gz AATBCJSTRIULHH-IUODEOHRSA-N 1 0 398.292 2.193 20 30 GEEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CCO[C@@H](COC)C1 ZINC000261938002 645613424 /nfs/dbraw/zinc/61/34/24/645613424.db2.gz MHVTZTLHRMGEHE-CQSZACIVSA-N 1 0 396.329 2.403 20 30 GEEDRO Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC[C@H]3CCCO3)nc12 ZINC000262364972 645629079 /nfs/dbraw/zinc/62/90/79/645629079.db2.gz JYZLHAQJRIFMPH-CQSZACIVSA-N 1 0 380.290 2.031 20 30 GEEDRO [NH2+]=C(NC[C@@H]1CCCN1Cc1ccc(I)cc1)NC1CC1 ZINC000262414354 645629660 /nfs/dbraw/zinc/62/96/60/645629660.db2.gz TTWQEGIHNSFOOP-HNNXBMFYSA-N 1 0 398.292 2.322 20 30 GEEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(I)cc1Cl ZINC000262421919 645629718 /nfs/dbraw/zinc/62/97/18/645629718.db2.gz BJRFVKOZIINJKE-MRVPVSSYSA-N 1 0 381.645 2.384 20 30 GEEDRO C[NH+]=C(NCCc1ccccn1)NCc1cc2c(c(Br)c1)OCO2 ZINC000262526745 645635784 /nfs/dbraw/zinc/63/57/84/645635784.db2.gz GWLVLVGAORODAK-UHFFFAOYSA-N 1 0 391.269 2.481 20 30 GEEDRO CN(Cc1c(F)cccc1Cl)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262565976 645637189 /nfs/dbraw/zinc/63/71/89/645637189.db2.gz LGWQNZXMEKENLV-GFCCVEGCSA-N 1 0 387.908 2.454 20 30 GEEDRO CC[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@H]1CCCO1 ZINC000262603063 645639995 /nfs/dbraw/zinc/63/99/95/645639995.db2.gz ZBLRXBOKQJXBHE-GFCCVEGCSA-N 1 0 384.274 2.412 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000262647433 645641027 /nfs/dbraw/zinc/64/10/27/645641027.db2.gz JNBMKVJNSDXXFX-FZMZJTMJSA-N 1 0 388.921 2.183 20 30 GEEDRO COc1cc(I)c(Cl)cc1CNC1=[NH+]CCN1C ZINC000262629383 645641181 /nfs/dbraw/zinc/64/11/81/645641181.db2.gz FJMMMFSVKGJKJP-UHFFFAOYSA-N 1 0 379.629 2.344 20 30 GEEDRO C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262738821 645643838 /nfs/dbraw/zinc/64/38/38/645643838.db2.gz DEPVIUHPHFJLHG-OAHLLOKOSA-N 1 0 391.317 2.425 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262871968 645647389 /nfs/dbraw/zinc/64/73/89/645647389.db2.gz DCBCICRDWQVTFF-ZBFHGGJFSA-N 1 0 381.318 2.372 20 30 GEEDRO Cn1cc(I)c(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)n1 ZINC000263128615 645654270 /nfs/dbraw/zinc/65/42/70/645654270.db2.gz MTABEKRXTMZVCW-UHFFFAOYSA-N 1 0 395.248 2.440 20 30 GEEDRO C#C[C@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 ZINC000263139032 645654353 /nfs/dbraw/zinc/65/43/53/645654353.db2.gz NYBRYTAJMLZUBI-INIZCTEOSA-N 1 0 399.296 2.050 20 30 GEEDRO C[NH+](C)C/C=C/C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000271355702 646195257 /nfs/dbraw/zinc/19/52/57/646195257.db2.gz ZHYAXKUYILRGFL-IDOMTICXSA-N 1 0 391.313 2.276 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716314 646542658 /nfs/dbraw/zinc/54/26/58/646542658.db2.gz IGWBFDKHZCPLOG-CZUORRHYSA-N 1 0 398.326 2.426 20 30 GEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000292874302 647210954 /nfs/dbraw/zinc/21/09/54/647210954.db2.gz SRNKZJDNXSRIHD-INIZCTEOSA-N 1 0 398.326 2.427 20 30 GEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293053703 647213311 /nfs/dbraw/zinc/21/33/11/647213311.db2.gz OJWSOVJFZRRINZ-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO CCOCCCNC(=[NH2+])NCCC(=O)Nc1cc(Br)ccc1C ZINC000303969806 647278364 /nfs/dbraw/zinc/27/83/64/647278364.db2.gz CDSNNAVRMFWSJO-UHFFFAOYSA-N 1 0 385.306 2.417 20 30 GEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000329999578 647327806 /nfs/dbraw/zinc/32/78/06/647327806.db2.gz UYKUPUGNNJEDPB-UHFFFAOYSA-N 1 0 385.306 2.270 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000330538105 647343310 /nfs/dbraw/zinc/34/33/10/647343310.db2.gz KXUVGXXUOUKNHB-VXGBXAGGSA-N 1 0 386.290 2.390 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000375816174 647834848 /nfs/dbraw/zinc/83/48/48/647834848.db2.gz QPJZRQSAHQKPAO-UHFFFAOYSA-N 1 0 379.302 2.154 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000409597516 647972025 /nfs/dbraw/zinc/97/20/25/647972025.db2.gz NBJKXNGVAIPYQF-OAHLLOKOSA-N 1 0 386.949 2.430 20 30 GEEDRO COCC(COC)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000411866161 648036974 /nfs/dbraw/zinc/03/69/74/648036974.db2.gz VQEVSRWBCJCKLZ-UHFFFAOYSA-N 1 0 382.302 2.100 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429533 648125400 /nfs/dbraw/zinc/12/54/00/648125400.db2.gz ZCUHSQHOJULSKG-IINYFYTJSA-N 1 0 384.299 2.082 20 30 GEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C(C)C ZINC000419641870 648358937 /nfs/dbraw/zinc/35/89/37/648358937.db2.gz LJGAYLQUBSCMCP-UHFFFAOYSA-N 1 0 395.301 2.494 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000419639178 648359033 /nfs/dbraw/zinc/35/90/33/648359033.db2.gz GRYMAFAOKTWJLV-OCCSQVGLSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C[N@@H+]1C1CC1 ZINC000419677350 648363104 /nfs/dbraw/zinc/36/31/04/648363104.db2.gz NZCOQVAWEPWPJG-ZYHUDNBSSA-N 1 0 391.269 2.001 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419711777 648369562 /nfs/dbraw/zinc/36/95/62/648369562.db2.gz PVDPDBNJUPKYRF-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+] ZINC000422557044 648559122 /nfs/dbraw/zinc/55/91/22/648559122.db2.gz VHUKBRMQTLBKMO-NTZNESFSSA-N 1 0 386.315 2.315 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc(Br)c1C#N ZINC000425749720 648694223 /nfs/dbraw/zinc/69/42/23/648694223.db2.gz XALYRTYCZSHEAO-OAHLLOKOSA-N 1 0 393.285 2.024 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(Br)c2)c1C#N ZINC000555218290 651220812 /nfs/dbraw/zinc/22/08/12/651220812.db2.gz MXBLLSOMZSROBK-LLVKDONJSA-N 1 0 390.285 2.938 20 30 GEEDRO Cn1cc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cc1C#N ZINC000561290090 651477682 /nfs/dbraw/zinc/47/76/82/651477682.db2.gz VPAWSAYXJZDAAW-UHFFFAOYSA-N 1 0 394.216 2.230 20 30 GEEDRO N#Cc1ccc(Br)c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1 ZINC000563081991 651508821 /nfs/dbraw/zinc/50/88/21/651508821.db2.gz STDSTDXAVZZHJZ-CXAGYDPISA-N 1 0 391.269 2.260 20 30 GEEDRO N#Cc1ccc(Br)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1 ZINC000563081999 651509034 /nfs/dbraw/zinc/50/90/34/651509034.db2.gz STDSTDXAVZZHJZ-SUMWQHHRSA-N 1 0 391.269 2.260 20 30 GEEDRO C#CC[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733198211 651693111 /nfs/dbraw/zinc/69/31/11/651693111.db2.gz YXGIWBXDTJRDML-NVXWUHKLSA-N 1 0 390.281 2.466 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cn2cc(Br)ccc2n1 ZINC000611172665 651712387 /nfs/dbraw/zinc/71/23/87/651712387.db2.gz BBZJICYSCCXYRF-UHFFFAOYSA-N 1 0 388.273 2.338 20 30 GEEDRO CCn1c(C[NH2+]C[C@H](O)CN(C)CCC#N)nc2cc(Br)ccc21 ZINC000572993069 651927327 /nfs/dbraw/zinc/92/73/27/651927327.db2.gz MEUKNUXVCVWTCZ-AWEZNQCLSA-N 1 0 394.317 2.115 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCN(C)C[C@@H]2C[NH3+])cc1OCC ZINC000576280174 652102669 /nfs/dbraw/zinc/10/26/69/652102669.db2.gz VXCGHACBXHUPJR-HNNXBMFYSA-N 1 0 398.345 2.487 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000577665174 652205574 /nfs/dbraw/zinc/20/55/74/652205574.db2.gz FALQSSANDQVJRQ-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000578154548 652248290 /nfs/dbraw/zinc/24/82/90/652248290.db2.gz YXMDGOXTJRUVCX-GFCCVEGCSA-N 1 0 393.285 2.106 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)cc1OC ZINC000623756837 652258496 /nfs/dbraw/zinc/25/84/96/652258496.db2.gz HFKDBVVWCWYKFS-CQSZACIVSA-N 1 0 385.302 2.179 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000624392322 652289147 /nfs/dbraw/zinc/28/91/47/652289147.db2.gz OVRSTPNYBDFKQO-BQBZGAKWSA-N 1 0 394.312 2.391 20 30 GEEDRO N#Cc1c(Br)cccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000581104180 652401848 /nfs/dbraw/zinc/40/18/48/652401848.db2.gz KVHSJLCEIVAFPN-UHFFFAOYSA-N 1 0 381.318 2.123 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202489 652476813 /nfs/dbraw/zinc/47/68/13/652476813.db2.gz UCLNXTUNNKJMQW-XJKSGUPXSA-N 1 0 379.302 2.413 20 30 GEEDRO Cc1ncc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1C#N ZINC000583239148 652478466 /nfs/dbraw/zinc/47/84/66/652478466.db2.gz BQVVHZZJNUUUMS-KRWDZBQOSA-N 1 0 378.885 2.496 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588118057 652547941 /nfs/dbraw/zinc/54/79/41/652547941.db2.gz ZZNIMGPKZNONFO-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cnn2c1NC[C@@H](C[N@@H+](CCO)Cc1cccc(Br)c1)C2 ZINC000592509363 652597815 /nfs/dbraw/zinc/59/78/15/652597815.db2.gz LCEFPJKMRQMJIY-AWEZNQCLSA-N 1 0 390.285 2.053 20 30 GEEDRO N#Cc1cnn2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)cnc12 ZINC000592501254 652597828 /nfs/dbraw/zinc/59/78/28/652597828.db2.gz NKMDUQLWAPKVOR-UHFFFAOYSA-N 1 0 386.257 2.397 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000760571374 652614925 /nfs/dbraw/zinc/61/49/25/652614925.db2.gz BLFBKGSRDKEOMF-INIZCTEOSA-N 1 0 393.325 2.062 20 30 GEEDRO COC1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593508462 652623298 /nfs/dbraw/zinc/62/32/98/652623298.db2.gz FWQXFOZJPPDGBR-UHFFFAOYSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000593732827 652633957 /nfs/dbraw/zinc/63/39/57/652633957.db2.gz PVFDIMBIZNZMSG-IAOVAPTHSA-N 1 0 383.901 2.261 20 30 GEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1CC[NH3+] ZINC000593736410 652634347 /nfs/dbraw/zinc/63/43/47/652634347.db2.gz RURXAMLAZZSGPA-IAQYHMDHSA-N 1 0 386.315 2.459 20 30 GEEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000594353745 652645604 /nfs/dbraw/zinc/64/56/04/652645604.db2.gz HFUOBZBKEPNYDO-MRXNPFEDSA-N 1 0 382.302 2.072 20 30 GEEDRO COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Br)cc1 ZINC000594430984 652648654 /nfs/dbraw/zinc/64/86/54/652648654.db2.gz FDRPKXARAMRWGL-UONOGXRCSA-N 1 0 382.258 2.191 20 30 GEEDRO N#Cc1cc(F)c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1Br ZINC000594566125 652665567 /nfs/dbraw/zinc/66/55/67/652665567.db2.gz DHSNVUVQFPFGCV-HNNXBMFYSA-N 1 0 395.276 2.378 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595258877 652711866 /nfs/dbraw/zinc/71/18/66/652711866.db2.gz FSWJXDSOMVUKRA-VIFPVBQESA-N 1 0 383.193 2.127 20 30 GEEDRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]([NH3+])CCCC#N)C2 ZINC000595991656 652745901 /nfs/dbraw/zinc/74/59/01/652745901.db2.gz FTUBNSYNACFWCF-SECBINFHSA-N 1 0 386.271 2.161 20 30 GEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000596053177 652752407 /nfs/dbraw/zinc/75/24/07/652752407.db2.gz XGZMFDNUFNREIC-SNVBAGLBSA-N 1 0 375.294 2.087 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000636675850 652815622 /nfs/dbraw/zinc/81/56/22/652815622.db2.gz BOWKQDJBWVADLX-UHFFFAOYSA-N 1 0 394.313 2.140 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000598726745 652831678 /nfs/dbraw/zinc/83/16/78/652831678.db2.gz AFEYGYGBCPTQMW-NSHDSACASA-N 1 0 394.324 2.162 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000598724057 652831737 /nfs/dbraw/zinc/83/17/37/652831737.db2.gz LTQHQDLMEYNCKI-LBPRGKRZSA-N 1 0 378.416 2.499 20 30 GEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599100573 652849242 /nfs/dbraw/zinc/84/92/42/652849242.db2.gz JVLDNAFJZPZOBP-HUUCEWRRSA-N 1 0 375.416 2.042 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CCN(CCCF)CC2)cc1Br ZINC000600076547 652901976 /nfs/dbraw/zinc/90/19/76/652901976.db2.gz PCSYFTNTXRMGGZ-UHFFFAOYSA-N 1 0 384.249 2.203 20 30 GEEDRO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470172 652917587 /nfs/dbraw/zinc/91/75/87/652917587.db2.gz GXXMHVZPTCVFED-HZMBPMFUSA-N 1 0 381.267 2.437 20 30 GEEDRO CN1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000602654313 653198149 /nfs/dbraw/zinc/19/81/49/653198149.db2.gz LCSBFFUUOUYSOV-CVEARBPZSA-N 1 0 389.301 2.337 20 30 GEEDRO C[C@@H](CCC#N)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602732275 653203494 /nfs/dbraw/zinc/20/34/94/653203494.db2.gz GLBRELRGXZXYII-LBPRGKRZSA-N 1 0 385.253 2.143 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602927560 653215893 /nfs/dbraw/zinc/21/58/93/653215893.db2.gz WOKUTGLUGNVKMM-HNNXBMFYSA-N 1 0 388.295 2.427 20 30 GEEDRO CON(C)C(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000808741381 653234580 /nfs/dbraw/zinc/23/45/80/653234580.db2.gz FQRUGKVELSTYJG-INIZCTEOSA-N 1 0 395.301 2.041 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000836489409 653356004 /nfs/dbraw/zinc/35/60/04/653356004.db2.gz ZRUCQITZUMWXIT-KRWDZBQOSA-N 1 0 394.313 2.487 20 30 GEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000858336010 653360529 /nfs/dbraw/zinc/36/05/29/653360529.db2.gz RONPEEREOUUTHG-GFCCVEGCSA-N 1 0 389.233 2.436 20 30 GEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ncc(Br)cc1F ZINC000777436093 653398100 /nfs/dbraw/zinc/39/81/00/653398100.db2.gz AFYABILLQOFQHZ-UHFFFAOYSA-N 1 0 376.299 2.123 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000778179629 653434104 /nfs/dbraw/zinc/43/41/04/653434104.db2.gz XRJXKZHTNQVMBL-KSSFIOAISA-N 1 0 383.897 2.178 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558414 653435710 /nfs/dbraw/zinc/43/57/10/653435710.db2.gz MLJHBKJRYFGGRL-BBRMVZONSA-N 1 0 387.933 2.364 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608494 653437590 /nfs/dbraw/zinc/43/75/90/653437590.db2.gz BEDQTDMZUWMXCY-TZMCWYRMSA-N 1 0 380.794 2.373 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629185 653438685 /nfs/dbraw/zinc/43/86/85/653438685.db2.gz DBNMSWRSYLENOY-NEPJUHHUSA-N 1 0 375.650 2.249 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000815120080 653652872 /nfs/dbraw/zinc/65/28/72/653652872.db2.gz NYZVMIAKXLQFRE-QAPCUYQASA-N 1 0 379.298 2.334 20 30 GEEDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350909 653655303 /nfs/dbraw/zinc/65/53/03/653655303.db2.gz AXXWGKHRWQMNAA-PXAZEXFGSA-N 1 0 397.269 2.352 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199105 653710215 /nfs/dbraw/zinc/71/02/15/653710215.db2.gz BATFEXHXHMRHEV-WCQYABFASA-N 1 0 379.251 2.471 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)CCOCC1 ZINC000863564553 653715847 /nfs/dbraw/zinc/71/58/47/653715847.db2.gz VKQMGXAOBKQMSS-JKSUJKDBSA-N 1 0 383.286 2.143 20 30 GEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000863589017 653716807 /nfs/dbraw/zinc/71/68/07/653716807.db2.gz IVSXHPQEEXCJJW-QWHCGFSZSA-N 1 0 376.678 2.470 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncc(Br)cn1 ZINC000786997364 653732845 /nfs/dbraw/zinc/73/28/45/653732845.db2.gz WQOVQPSADPTDIW-UHFFFAOYSA-N 1 0 388.269 2.315 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000818588748 653734019 /nfs/dbraw/zinc/73/40/19/653734019.db2.gz FRPBNMZQAHMYIO-UHFFFAOYSA-N 1 0 396.272 2.394 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000818599425 653734500 /nfs/dbraw/zinc/73/45/00/653734500.db2.gz QIZOEASUMZTCCR-GOSISDBHSA-N 1 0 377.897 2.340 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000818606252 653734639 /nfs/dbraw/zinc/73/46/39/653734639.db2.gz HISTYHWHKDKVAO-AWEZNQCLSA-N 1 0 382.291 2.418 20 30 GEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000818976026 653739615 /nfs/dbraw/zinc/73/96/15/653739615.db2.gz RGCNGCZICDRYKP-HNNXBMFYSA-N 1 0 391.269 2.157 20 30 GEEDRO C#CCNC(=O)CC[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000818999047 653740605 /nfs/dbraw/zinc/74/06/05/653740605.db2.gz YLDFOWHTWWGDHZ-UHFFFAOYSA-N 1 0 379.298 2.226 20 30 GEEDRO C#C[C@@H](NC(=O)NCC1(COC)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000841992473 653743287 /nfs/dbraw/zinc/74/32/87/653743287.db2.gz YFBNKHDSNANJSG-MRXNPFEDSA-N 1 0 394.313 2.439 20 30 GEEDRO C#CCNC(=O)CC[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000819163135 653744779 /nfs/dbraw/zinc/74/47/79/653744779.db2.gz GRCSXUCTUVSTTR-UHFFFAOYSA-N 1 0 378.314 2.143 20 30 GEEDRO C[C@](O)(C[NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1Cl ZINC000819305342 653748682 /nfs/dbraw/zinc/74/86/82/653748682.db2.gz JGPPJXXVYQZWFD-AWEZNQCLSA-N 1 0 384.665 2.063 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000820611566 653778062 /nfs/dbraw/zinc/77/80/62/653778062.db2.gz LTNFXVAJQMLBNV-CPUCHLNUSA-N 1 0 394.313 2.220 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1 ZINC000820612487 653778215 /nfs/dbraw/zinc/77/82/15/653778215.db2.gz WSETXLZTOIQZAZ-SJORKVTESA-N 1 0 394.313 2.269 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882483502 653784347 /nfs/dbraw/zinc/78/43/47/653784347.db2.gz BYJVVWDZZNASMN-ZDUSSCGKSA-N 1 0 396.285 2.309 20 30 GEEDRO CC(C)CN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790748716 653796392 /nfs/dbraw/zinc/79/63/92/653796392.db2.gz PRSHLAUASPCKFO-AWEZNQCLSA-N 1 0 382.555 2.404 20 30 GEEDRO C=C(C)CN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790759347 653796671 /nfs/dbraw/zinc/79/66/71/653796671.db2.gz QXFCUNCXYPDZLM-AWEZNQCLSA-N 1 0 380.539 2.324 20 30 GEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883084473 653825585 /nfs/dbraw/zinc/82/55/85/653825585.db2.gz SCLHFNXFCCCPJC-LBPRGKRZSA-N 1 0 396.289 2.290 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250315 653869374 /nfs/dbraw/zinc/86/93/74/653869374.db2.gz BTVICJYGQIMVGP-GZMMTYOYSA-N 1 0 397.323 2.404 20 30 GEEDRO NS(=O)(=O)c1cc(C(=NNCC[NH+]2CCCCC2)C2CC2)ccc1Cl ZINC000794496271 653909641 /nfs/dbraw/zinc/90/96/41/653909641.db2.gz YAFQCEGSKGADRE-UHFFFAOYSA-N 1 0 384.933 2.177 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C2CC[NH+](C)CC2)n1 ZINC000825414389 653928524 /nfs/dbraw/zinc/92/85/24/653928524.db2.gz BEZUOKDRYFUESI-UHFFFAOYSA-N 1 0 378.527 2.080 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@@H]21 ZINC000827245054 653982835 /nfs/dbraw/zinc/98/28/35/653982835.db2.gz HZDNWDBULGQADE-DOMZBBRYSA-N 1 0 378.270 2.252 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)C1CC[NH+](C)CC1 ZINC000886572248 653992169 /nfs/dbraw/zinc/99/21/69/653992169.db2.gz DQKZFFUIWHWGMS-UHFFFAOYSA-N 1 0 392.297 2.115 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC000886896682 654007857 /nfs/dbraw/zinc/00/78/57/654007857.db2.gz QRVQPFKQZFQETN-SNVBAGLBSA-N 1 0 383.342 2.100 20 30 GEEDRO C#CCC1([NH2+]Cc2nnnn2-c2ccccc2Br)CCOCC1 ZINC000887124762 654020954 /nfs/dbraw/zinc/02/09/54/654020954.db2.gz SBZHWAIONRCTBW-UHFFFAOYSA-N 1 0 376.258 2.087 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900701630 654077084 /nfs/dbraw/zinc/07/70/84/654077084.db2.gz ZITUMURYWPHIPP-AWEZNQCLSA-N 1 0 376.258 2.202 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000850459858 654078038 /nfs/dbraw/zinc/07/80/38/654078038.db2.gz IHBZRVUGSPFIDG-CQSZACIVSA-N 1 0 391.274 2.469 20 30 GEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)c1 ZINC000888410745 654082133 /nfs/dbraw/zinc/08/21/33/654082133.db2.gz BRWSOSOWLJFNLW-UHFFFAOYSA-N 1 0 378.845 2.426 20 30 GEEDRO C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000888416292 654082394 /nfs/dbraw/zinc/08/23/94/654082394.db2.gz ZQRKSELNAKJLFS-NEPJUHHUSA-N 1 0 382.921 2.158 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000901138938 654111456 /nfs/dbraw/zinc/11/14/56/654111456.db2.gz MJTPZALELADGHO-UHFFFAOYSA-N 1 0 396.329 2.410 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(C#N)c1 ZINC000901728136 654143980 /nfs/dbraw/zinc/14/39/80/654143980.db2.gz LECHBMVQCMOHEF-RISCZKNCSA-N 1 0 388.269 2.449 20 30 GEEDRO C[C@@H](C#N)OCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000801930309 654212627 /nfs/dbraw/zinc/21/26/27/654212627.db2.gz MLAQZLSYRZZTBZ-LBPRGKRZSA-N 1 0 381.274 2.423 20 30 GEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101234 654217995 /nfs/dbraw/zinc/21/79/95/654217995.db2.gz OWFRWVXDRUZWGT-PXAZEXFGSA-N 1 0 385.917 2.309 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920762954 654220629 /nfs/dbraw/zinc/22/06/29/654220629.db2.gz ZFKRKFPIKFMOAL-OAHLLOKOSA-N 1 0 380.286 2.468 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000903498532 654242067 /nfs/dbraw/zinc/24/20/67/654242067.db2.gz AMXYNPZLRKUJRY-QWHCGFSZSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903571510 654257844 /nfs/dbraw/zinc/25/78/44/654257844.db2.gz HFGGWJCRHATMNP-YOEHRIQHSA-N 1 0 375.475 2.154 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1C(F)(F)F ZINC000871813379 654263543 /nfs/dbraw/zinc/26/35/43/654263543.db2.gz IEYIHSHEDFFMSS-RITPCOANSA-N 1 0 380.285 2.001 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000852889459 654265832 /nfs/dbraw/zinc/26/58/32/654265832.db2.gz DIMAIKPSHYYZOL-UHFFFAOYSA-N 1 0 389.253 2.118 20 30 GEEDRO C[C@H]1CN(c2cc(Br)cnc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000853464082 654297426 /nfs/dbraw/zinc/29/74/26/654297426.db2.gz GXNSHRCIBIPUDC-XJKSGUPXSA-N 1 0 378.318 2.178 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494409 654330261 /nfs/dbraw/zinc/33/02/61/654330261.db2.gz MTRBMWCYBHTLSD-VXNVDRBHSA-N 1 0 383.296 2.475 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495740 654330388 /nfs/dbraw/zinc/33/03/88/654330388.db2.gz YSOQMGVRNVIISL-ZFWWWQNUSA-N 1 0 397.260 2.232 20 30 GEEDRO CCCOc1c(Br)cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1OC ZINC000834506751 654330895 /nfs/dbraw/zinc/33/08/95/654330895.db2.gz VOHRZIQWRROUFX-YPMHNXCESA-N 1 0 382.258 2.088 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000922024891 654356447 /nfs/dbraw/zinc/35/64/47/654356447.db2.gz KJKXFGYXWCRXMZ-UHFFFAOYSA-N 1 0 395.834 2.472 20 30 GEEDRO C[C@]1(NC(=O)COc2cccc(Br)c2C#N)C[NH+]2CCC1CC2 ZINC000892765471 654363418 /nfs/dbraw/zinc/36/34/18/654363418.db2.gz DAUHSWILEJLPLT-KRWDZBQOSA-N 1 0 378.270 2.300 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000893505175 654404522 /nfs/dbraw/zinc/40/45/22/654404522.db2.gz KLNDKOQAIGQPPE-UHFFFAOYSA-N 1 0 375.288 2.098 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000922632119 654404952 /nfs/dbraw/zinc/40/49/52/654404952.db2.gz YYCCREBKLKZCOP-HNNXBMFYSA-N 1 0 394.317 2.431 20 30 GEEDRO N#Cc1c(F)cccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000873051864 654411962 /nfs/dbraw/zinc/41/19/62/654411962.db2.gz PDRUFMOOQJWATO-UHFFFAOYSA-N 1 0 379.379 2.349 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000922996498 654423598 /nfs/dbraw/zinc/42/35/98/654423598.db2.gz NGJBQTKABNSRFT-AWEZNQCLSA-N 1 0 375.270 2.237 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000906887848 654483144 /nfs/dbraw/zinc/48/31/44/654483144.db2.gz VYGNFIRIRGECHI-OAHLLOKOSA-N 1 0 376.507 2.205 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907240080 654522943 /nfs/dbraw/zinc/52/29/43/654522943.db2.gz OVTBQLXPVCBXSS-CYBMUJFWSA-N 1 0 386.315 2.424 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907430059 654542390 /nfs/dbraw/zinc/54/23/90/654542390.db2.gz UJHRQMYYFGAXGB-UHFFFAOYSA-N 1 0 396.310 2.039 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)/C=C/c2cc(Br)c(O)c(OC)c2)CC1 ZINC000928657349 654654807 /nfs/dbraw/zinc/65/48/07/654654807.db2.gz YGNWMNPFZXUWNR-SNAWJCMRSA-N 1 0 393.281 2.390 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000909247470 654656573 /nfs/dbraw/zinc/65/65/73/654656573.db2.gz LNWVULYWHOIYCQ-HNNXBMFYSA-N 1 0 399.329 2.233 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)Nc1cccc(F)c1I ZINC000930563844 654713842 /nfs/dbraw/zinc/71/38/42/654713842.db2.gz GLVWEUDNWIBPTR-UHFFFAOYSA-N 1 0 375.185 2.117 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Br ZINC000931380475 654740362 /nfs/dbraw/zinc/74/03/62/654740362.db2.gz PSBDOOFXXNKLPL-CVEARBPZSA-N 1 0 393.285 2.384 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CCC([NH+]3CCC3)CC2)cc1Br ZINC000912871745 654772250 /nfs/dbraw/zinc/77/22/50/654772250.db2.gz ZUASTZDOQJCHDH-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO CON1CC[C@H]([NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942632 654794942 /nfs/dbraw/zinc/79/49/42/654794942.db2.gz ZWJJQHFGFLURJW-PRJMDXOYSA-N 1 0 382.251 2.252 20 30 GEEDRO Cc1c(C(=O)NCC#CC[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000913518701 654797068 /nfs/dbraw/zinc/79/70/68/654797068.db2.gz XPXJQGPZSATOEJ-UHFFFAOYSA-N 1 0 375.270 2.238 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC12CC[NH+](CC1)C2 ZINC000913627791 654802089 /nfs/dbraw/zinc/80/20/89/654802089.db2.gz ZHWSTKQBAPXMHZ-UHFFFAOYSA-N 1 0 394.269 2.063 20 30 GEEDRO N#Cc1cc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000913917727 654816045 /nfs/dbraw/zinc/81/60/45/654816045.db2.gz LCMJXJPGPJRKOA-UHFFFAOYSA-N 1 0 385.580 2.401 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C#N)c(C#N)nc3CC)CC2)CC1 ZINC001164617497 719034881 /nfs/dbraw/zinc/03/48/81/719034881.db2.gz LECFLMDZLNNIFX-UHFFFAOYSA-N 1 0 396.495 2.026 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)cc(Cl)n1)CCC2 ZINC001164812938 720206641 /nfs/dbraw/zinc/20/66/41/720206641.db2.gz NIICIGFJZUZJBR-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828431 720320564 /nfs/dbraw/zinc/32/05/64/720320564.db2.gz JLMDCEQGZVLOLB-RBUKOAKNSA-N 1 0 399.539 2.261 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C#N)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841291 720524196 /nfs/dbraw/zinc/52/41/96/720524196.db2.gz YAZYLVZSMSQMSE-HSALFYBXSA-N 1 0 375.480 2.399 20 30 GEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164743039 720623071 /nfs/dbraw/zinc/62/30/71/720623071.db2.gz OKMLXOAGHORTGC-HUUCEWRRSA-N 1 0 384.871 2.355 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@@H]2C1 ZINC001164864362 720888068 /nfs/dbraw/zinc/88/80/68/720888068.db2.gz VLJJFJHYCJDZNB-UXHICEINSA-N 1 0 387.600 2.484 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890793 721426898 /nfs/dbraw/zinc/42/68/98/721426898.db2.gz FUQXMSUXEQEFEB-ICSRJNTNSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889539 721430965 /nfs/dbraw/zinc/43/09/65/721430965.db2.gz BKKSSIXXJPXVLV-XMSQKQJNSA-N 1 0 394.523 2.200 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893820 721439121 /nfs/dbraw/zinc/43/91/21/721439121.db2.gz KSZIIAHQFHDRMC-IRLDBZIGSA-N 1 0 383.540 2.222 20 30 GEEDRO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1C#N ZINC001164795619 721526726 /nfs/dbraw/zinc/52/67/26/721526726.db2.gz PHPYPZBRTQKYOT-BBTUJRGHSA-N 1 0 379.464 2.225 20 30 GEEDRO COC(=O)c1cc(C#N)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909229 721563545 /nfs/dbraw/zinc/56/35/45/721563545.db2.gz TUWHTAIBYFEVHQ-WMZOPIPTSA-N 1 0 396.422 2.221 20 30 GEEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C=NO)c1 ZINC001164809836 721570506 /nfs/dbraw/zinc/57/05/06/721570506.db2.gz XKNUMNUERABPRZ-UFYCRDLUSA-N 1 0 381.480 2.461 20 30 GEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967309 722070304 /nfs/dbraw/zinc/07/03/04/722070304.db2.gz MWZBNQKANMSDOM-GASCZTMLSA-N 1 0 390.871 2.083 20 30 GEEDRO COc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164977391 722110626 /nfs/dbraw/zinc/11/06/26/722110626.db2.gz MVCRJAKCBCCVLP-PXNSSMCTSA-N 1 0 379.464 2.084 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979058 722119706 /nfs/dbraw/zinc/11/97/06/722119706.db2.gz OUSUYZROBLHGPB-UXHICEINSA-N 1 0 395.507 2.472 20 30 GEEDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)cc1C#N ZINC001164983346 722137722 /nfs/dbraw/zinc/13/77/22/722137722.db2.gz UMWWNOOTBDLDMA-VQIMIIECSA-N 1 0 397.454 2.223 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(C#N)c[nH]c3n1)CCC2 ZINC001165001662 722253995 /nfs/dbraw/zinc/25/39/95/722253995.db2.gz FRTWEZNUYQFDIH-UHFFFAOYSA-N 1 0 379.468 2.120 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152615097 531560814 /nfs/dbraw/zinc/56/08/14/531560814.db2.gz SIGYPSUVNMSYPF-UHFFFAOYSA-N 1 0 380.286 2.424 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155257275 531668577 /nfs/dbraw/zinc/66/85/77/531668577.db2.gz JAJGXAADZBIDMY-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 ZINC000155259619 531667474 /nfs/dbraw/zinc/66/74/74/531667474.db2.gz HMHHXMXZWMABMC-UONOGXRCSA-N 1 0 384.299 2.178 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000173276493 532001643 /nfs/dbraw/zinc/00/16/43/532001643.db2.gz SQHWHIBESDITEV-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736538 532075947 /nfs/dbraw/zinc/07/59/47/532075947.db2.gz UYQSVMIQSSCXSP-DOMZBBRYSA-N 1 0 383.279 2.084 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558097938 532384825 /nfs/dbraw/zinc/38/48/25/532384825.db2.gz JTQYZVUYLFATPS-QGZVFWFLSA-N 1 0 391.313 2.059 20 30 GEEDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc(Br)c1C#N ZINC000425776168 532395090 /nfs/dbraw/zinc/39/50/90/532395090.db2.gz YKPGCEDZMRNQSN-LLVKDONJSA-N 1 0 393.285 2.120 20 30 GEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560706347 532421330 /nfs/dbraw/zinc/42/13/30/532421330.db2.gz ZOOGMQGUUQDKGA-UHFFFAOYSA-N 1 0 379.302 2.397 20 30 GEEDRO N#Cc1c(F)ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000372980542 532421982 /nfs/dbraw/zinc/42/19/82/532421982.db2.gz JVOSAXWUKYHINX-AWEZNQCLSA-N 1 0 385.892 2.092 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194176835 532444703 /nfs/dbraw/zinc/44/47/03/532444703.db2.gz RXGSBNAENJHYAS-MRXNPFEDSA-N 1 0 380.286 2.447 20 30 GEEDRO CN1CC[NH+](CC2CCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000295459837 532448733 /nfs/dbraw/zinc/44/87/33/532448733.db2.gz HRNAOAJYAVWFMN-UHFFFAOYSA-N 1 0 378.318 2.180 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC[N@H+](C)C1 ZINC000592300520 532446172 /nfs/dbraw/zinc/44/61/72/532446172.db2.gz QQGAVZDJAVSFOT-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Br ZINC000592375572 532451790 /nfs/dbraw/zinc/45/17/90/532451790.db2.gz XPTZMKZXWNNVMF-XJKSGUPXSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000592381957 532453420 /nfs/dbraw/zinc/45/34/20/532453420.db2.gz BURSFQKJKJFBAW-JKOKRWQUSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000592753264 532458905 /nfs/dbraw/zinc/45/89/05/532458905.db2.gz MFHLIFHPPMGNNR-HNNXBMFYSA-N 1 0 389.297 2.110 20 30 GEEDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630326 532464812 /nfs/dbraw/zinc/46/48/12/532464812.db2.gz FWJLBMMIVJUNOR-SNVBAGLBSA-N 1 0 390.278 2.032 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562765321 532482204 /nfs/dbraw/zinc/48/22/04/532482204.db2.gz KABLHPBXDHFBSQ-CYBMUJFWSA-N 1 0 383.290 2.121 20 30 GEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000374588012 532511714 /nfs/dbraw/zinc/51/17/14/532511714.db2.gz UXKNSFYWZORINZ-FRFSOERESA-N 1 0 384.933 2.401 20 30 GEEDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000595195072 532549096 /nfs/dbraw/zinc/54/90/96/532549096.db2.gz YJSLQJQJTRYIHH-LBPRGKRZSA-N 1 0 393.285 2.168 20 30 GEEDRO CC[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@H]1CCOC1 ZINC000262780372 532601255 /nfs/dbraw/zinc/60/12/55/532601255.db2.gz IXGQNHKLKXXFSW-LLVKDONJSA-N 1 0 384.274 2.269 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000376741602 532627119 /nfs/dbraw/zinc/62/71/19/532627119.db2.gz IEMMLGOTLFPHIP-OAHLLOKOSA-N 1 0 380.857 2.069 20 30 GEEDRO CS(=O)(=O)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000285244737 532662148 /nfs/dbraw/zinc/66/21/48/532662148.db2.gz YTDILHZBDIOYHC-UHFFFAOYSA-N 1 0 377.432 2.467 20 30 GEEDRO CS(=O)(=O)NCC1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000567317938 532649269 /nfs/dbraw/zinc/64/92/69/532649269.db2.gz MIQSDJBXGDQOFE-UHFFFAOYSA-N 1 0 375.416 2.338 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378233863 532684992 /nfs/dbraw/zinc/68/49/92/532684992.db2.gz UWUITDRDASOONR-CZUORRHYSA-N 1 0 398.326 2.473 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000600722172 532679722 /nfs/dbraw/zinc/67/97/22/532679722.db2.gz GSRNPVWLSFXBPG-HNNXBMFYSA-N 1 0 380.286 2.213 20 30 GEEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723314 532679796 /nfs/dbraw/zinc/67/97/96/532679796.db2.gz CAADOAFSSIYIHO-OAHLLOKOSA-N 1 0 394.313 2.442 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600756556 532680997 /nfs/dbraw/zinc/68/09/97/532680997.db2.gz RJADYQZVHBNTHV-HNNXBMFYSA-N 1 0 392.253 2.254 20 30 GEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000410159879 532735599 /nfs/dbraw/zinc/73/55/99/532735599.db2.gz WJVGKDIQGHLVRW-AWEZNQCLSA-N 1 0 393.456 2.293 20 30 GEEDRO N#Cc1cc(Br)ccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000541191605 532749997 /nfs/dbraw/zinc/74/99/97/532749997.db2.gz GHTQMCOKKPHKGZ-UHFFFAOYSA-N 1 0 381.318 2.123 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000411547347 532766363 /nfs/dbraw/zinc/76/63/63/532766363.db2.gz BZZWBTBTXBFURI-LBPRGKRZSA-N 1 0 398.301 2.266 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000286795161 532768845 /nfs/dbraw/zinc/76/88/45/532768845.db2.gz YIYLSXOIGJSCNS-NSHDSACASA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000269428656 532781807 /nfs/dbraw/zinc/78/18/07/532781807.db2.gz OOEURGVCLOOIME-UHFFFAOYSA-N 1 0 379.379 2.349 20 30 GEEDRO O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329354207 532806298 /nfs/dbraw/zinc/80/62/98/532806298.db2.gz YIHLIUUHFHTHCD-UKRRQHHQSA-N 1 0 383.539 2.485 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000272818057 532818344 /nfs/dbraw/zinc/81/83/44/532818344.db2.gz FFYUODWWQCFQJW-GFCCVEGCSA-N 1 0 389.315 2.357 20 30 GEEDRO COc1cc(Br)cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000330585466 532821958 /nfs/dbraw/zinc/82/19/58/532821958.db2.gz VZZWUHHTAOCOEI-UHFFFAOYSA-N 1 0 386.290 2.392 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677139 532824971 /nfs/dbraw/zinc/82/49/71/532824971.db2.gz UXAONPWNDBIAOL-NEPJUHHUSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288368652 532825686 /nfs/dbraw/zinc/82/56/86/532825686.db2.gz YYDCUKJHTFMECX-FZMZJTMJSA-N 1 0 386.315 2.281 20 30 GEEDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000331176611 532835069 /nfs/dbraw/zinc/83/50/69/532835069.db2.gz FMIKVVVLFSDUOY-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415307579 532841457 /nfs/dbraw/zinc/84/14/57/532841457.db2.gz WFCYKSUERIDFHZ-UHFFFAOYSA-N 1 0 396.285 2.150 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415397440 532843989 /nfs/dbraw/zinc/84/39/89/532843989.db2.gz RDZAQAWXZDZVJS-GFCCVEGCSA-N 1 0 396.285 2.068 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415434548 532845564 /nfs/dbraw/zinc/84/55/64/532845564.db2.gz INCFYKGWULYJJM-WCQYABFASA-N 1 0 396.285 2.148 20 30 GEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000415487618 532847530 /nfs/dbraw/zinc/84/75/30/532847530.db2.gz NFZNBGPGGLBHLQ-CQSZACIVSA-N 1 0 381.274 2.091 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC[NH2+]CC1 ZINC000415499061 532848062 /nfs/dbraw/zinc/84/80/62/532848062.db2.gz KPKJGRPEJQSNEL-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415554802 532850045 /nfs/dbraw/zinc/85/00/45/532850045.db2.gz BIJXRCQZJXROQR-RYUDHWBXSA-N 1 0 396.285 2.148 20 30 GEEDRO COCC1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CC[NH2+]CC1 ZINC000415697440 532854162 /nfs/dbraw/zinc/85/41/62/532854162.db2.gz WDKCCDCCBCQSIZ-UHFFFAOYSA-N 1 0 381.274 2.458 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289635578 532861463 /nfs/dbraw/zinc/86/14/63/532861463.db2.gz CSHJTMPIXGBMMS-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000333144525 532864869 /nfs/dbraw/zinc/86/48/69/532864869.db2.gz ZLUFIJILQWFHOB-KRWDZBQOSA-N 1 0 378.270 2.254 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000364208378 532904630 /nfs/dbraw/zinc/90/46/30/532904630.db2.gz RPTDMYISLPUHED-INIZCTEOSA-N 1 0 390.325 2.489 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682834 532926517 /nfs/dbraw/zinc/92/65/17/532926517.db2.gz BXUVECXEKRRJHL-ZBFHGGJFSA-N 1 0 379.844 2.466 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000293477746 532927513 /nfs/dbraw/zinc/92/75/13/532927513.db2.gz VILHGERNCQURLP-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293534397 532928237 /nfs/dbraw/zinc/92/82/37/532928237.db2.gz XHCIKIUAWBUVJE-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000369071644 532936827 /nfs/dbraw/zinc/93/68/27/532936827.db2.gz MYGFPKCAWROUAC-YOEHRIQHSA-N 1 0 376.507 2.328 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000371726681 532949510 /nfs/dbraw/zinc/94/95/10/532949510.db2.gz IEKVSVUYIRUDBB-CQSZACIVSA-N 1 0 396.333 2.366 20 30 GEEDRO C=CCCCCC[N@@H+](C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735408485 598852388 /nfs/dbraw/zinc/85/23/88/598852388.db2.gz MIASWIBXEYEDPD-UHFFFAOYSA-N 1 0 397.483 2.267 20 30 GEEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737694114 598539955 /nfs/dbraw/zinc/53/99/55/598539955.db2.gz AZJGHMRUQJLTSM-UHFFFAOYSA-N 1 0 375.436 2.091 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420948 606299544 /nfs/dbraw/zinc/29/95/44/606299544.db2.gz YMFLUUHIIZPFIL-XHDPSFHLSA-N 1 0 379.449 2.256 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420126 606309174 /nfs/dbraw/zinc/30/91/74/606309174.db2.gz MMRXAXYMHCEFHD-IAQYHMDHSA-N 1 0 379.449 2.256 20 30 GEEDRO C#CC[N@H+](CC)CCC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000819701373 606433805 /nfs/dbraw/zinc/43/38/05/606433805.db2.gz DZLDUIJPJOJXBK-UHFFFAOYSA-N 1 0 395.467 2.210 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000819743514 606986596 /nfs/dbraw/zinc/98/65/96/606986596.db2.gz KUGKBZGKHOVOQY-SFHVURJKSA-N 1 0 383.500 2.439 20 30 GEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553742 608487108 /nfs/dbraw/zinc/48/71/08/608487108.db2.gz GOJPHSHNKXSSOU-OAHLLOKOSA-N 1 0 375.436 2.464 20 30 GEEDRO CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000825594213 608535904 /nfs/dbraw/zinc/53/59/04/608535904.db2.gz JEKOTVHINREJPO-LBPRGKRZSA-N 1 0 392.895 2.451 20 30 GEEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826332642 609470046 /nfs/dbraw/zinc/47/00/46/609470046.db2.gz AUJKMWULOOYSOK-UHFFFAOYSA-N 1 0 380.803 2.250 20 30 GEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000448922430 650025675 /nfs/dbraw/zinc/02/56/75/650025675.db2.gz CHGMNEALYNKKRB-OAHLLOKOSA-N 1 0 391.313 2.173 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449652034 650044907 /nfs/dbraw/zinc/04/49/07/650044907.db2.gz PAZCFZJBSOCWPD-CABCVRRESA-N 1 0 378.270 2.443 20 30 GEEDRO [NH3+]CC[C@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F ZINC000449719895 650047785 /nfs/dbraw/zinc/04/77/85/650047785.db2.gz LZYBWAYHCNCPIN-QMMMGPOBSA-N 1 0 377.260 2.370 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449993989 650057788 /nfs/dbraw/zinc/05/77/88/650057788.db2.gz FQYVMHGJGKSCAY-CYBMUJFWSA-N 1 0 380.286 2.500 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1 ZINC000450487962 650066040 /nfs/dbraw/zinc/06/60/40/650066040.db2.gz NVZBVNGBYYFWOH-DOMZBBRYSA-N 1 0 378.270 2.252 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451437649 650113898 /nfs/dbraw/zinc/11/38/98/650113898.db2.gz ONQUYZNBDARBQQ-UHFFFAOYSA-N 1 0 390.278 2.222 20 30 GEEDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCCO1 ZINC000451467092 650117960 /nfs/dbraw/zinc/11/79/60/650117960.db2.gz SBABUKYFLFAPJS-AWEZNQCLSA-N 1 0 385.917 2.185 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000452102227 650173743 /nfs/dbraw/zinc/17/37/43/650173743.db2.gz HLRIQPOFYRSWEE-AWEZNQCLSA-N 1 0 386.315 2.424 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452096968 650173102 /nfs/dbraw/zinc/17/31/02/650173102.db2.gz PJNXWCPWPSLKNJ-ZDUSSCGKSA-N 1 0 384.468 2.061 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500204830 650372257 /nfs/dbraw/zinc/37/22/57/650372257.db2.gz ALYGPTZXUXSWKY-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCN(C)C[C@H]2C[NH3+])cc1OC ZINC000514861482 650581304 /nfs/dbraw/zinc/58/13/04/650581304.db2.gz IPZJOKIAAVJTJR-CQSZACIVSA-N 1 0 384.318 2.097 20 30 GEEDRO [NH2+]=C(NCc1ccc(Br)cc1N1CCOCC1)NCC1CCC1 ZINC000119556254 643557024 /nfs/dbraw/zinc/55/70/24/643557024.db2.gz YBRCOKHLGBRAJN-UHFFFAOYSA-N 1 0 381.318 2.490 20 30 GEEDRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000130672347 643848112 /nfs/dbraw/zinc/84/81/12/643848112.db2.gz FWNBRQPAUHJJSZ-UHFFFAOYSA-N 1 0 388.902 2.115 20 30 GEEDRO C[C@H](NC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000133928861 643898964 /nfs/dbraw/zinc/89/89/64/643898964.db2.gz IXICBUYNPOEUQV-CMPLNLGQSA-N 1 0 393.340 2.383 20 30 GEEDRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153297505 643983316 /nfs/dbraw/zinc/98/33/16/643983316.db2.gz MJOCSLDOZMJSFG-UHFFFAOYSA-N 1 0 380.905 2.101 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)CC1 ZINC000174432918 644373819 /nfs/dbraw/zinc/37/38/19/644373819.db2.gz AGNBBTQFVVRDED-MRXNPFEDSA-N 1 0 379.302 2.158 20 30 GEEDRO CC(C)[C@@H]1CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262326575 645626977 /nfs/dbraw/zinc/62/69/77/645626977.db2.gz ADAXKKPXFIAETA-WBVHZDCISA-N 1 0 387.615 2.383 20 30 GEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000262369410 645629132 /nfs/dbraw/zinc/62/91/32/645629132.db2.gz IHTIJGOJPKGBIO-KBXCAEBGSA-N 1 0 382.961 2.342 20 30 GEEDRO C[NH+]=C(NC[C@@H]1COCCO1)NCC1(c2cccc(Br)c2)CC1 ZINC000262428461 645630285 /nfs/dbraw/zinc/63/02/85/645630285.db2.gz BKAQATXGFZFSLS-OAHLLOKOSA-N 1 0 382.302 2.061 20 30 GEEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CC[C@H](COC)C1 ZINC000262456273 645631035 /nfs/dbraw/zinc/63/10/35/645631035.db2.gz LENKVOJAIDBDHJ-ZDUSSCGKSA-N 1 0 397.317 2.240 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000262479321 645631840 /nfs/dbraw/zinc/63/18/40/645631840.db2.gz QYSQOUKBYOSFKA-GFCCVEGCSA-N 1 0 378.274 2.170 20 30 GEEDRO CCC1(CC)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CCS1 ZINC000262475992 645631860 /nfs/dbraw/zinc/63/18/60/645631860.db2.gz ZSTIFFQJBXAJEG-HNNXBMFYSA-N 1 0 375.604 2.383 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000262488263 645633089 /nfs/dbraw/zinc/63/30/89/645633089.db2.gz UASQEUMNWWINTB-UONOGXRCSA-N 1 0 381.318 2.311 20 30 GEEDRO C[NH+]=C(NCCn1cccn1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000263009017 645650067 /nfs/dbraw/zinc/65/00/67/645650067.db2.gz YKYVRRNOFDGQTE-HNNXBMFYSA-N 1 0 391.317 2.090 20 30 GEEDRO COC[C@H](C)NC(=[NH2+])NCc1c(Br)cncc1Br ZINC000263119745 645653595 /nfs/dbraw/zinc/65/35/95/645653595.db2.gz LWVAKNWDENNWBP-ZETCQYMHSA-N 1 0 380.084 2.046 20 30 GEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc(C(F)(F)F)cs2)CC1 ZINC000267390002 645899150 /nfs/dbraw/zinc/89/91/50/645899150.db2.gz COIOXWAPMICGEJ-UHFFFAOYSA-N 1 0 379.408 2.187 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277410649 646415708 /nfs/dbraw/zinc/41/57/08/646415708.db2.gz TWDIIXSGMNZDGL-HNNXBMFYSA-N 1 0 393.325 2.062 20 30 GEEDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C ZINC000287378201 646886055 /nfs/dbraw/zinc/88/60/55/646886055.db2.gz ZUWFETCYTPXJGL-UHFFFAOYSA-N 1 0 394.317 2.468 20 30 GEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cncc(C#N)c1 ZINC000289385339 646932059 /nfs/dbraw/zinc/93/20/59/646932059.db2.gz CUVSTUZMXCOLHU-UHFFFAOYSA-N 1 0 378.420 2.238 20 30 GEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000292874306 647210798 /nfs/dbraw/zinc/21/07/98/647210798.db2.gz SRNKZJDNXSRIHD-MRXNPFEDSA-N 1 0 398.326 2.427 20 30 GEEDRO CN(Cc1ccccc1Br)C(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000304743108 647279288 /nfs/dbraw/zinc/27/92/88/647279288.db2.gz CXHCKDZNQKHHEC-UHFFFAOYSA-N 1 0 399.358 2.161 20 30 GEEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000329652570 647322254 /nfs/dbraw/zinc/32/22/54/647322254.db2.gz KYRVJHCIOUILOV-LLVKDONJSA-N 1 0 384.274 2.355 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330384870 647333709 /nfs/dbraw/zinc/33/37/09/647333709.db2.gz KWKRBPQWNHOGBD-VYDXJSESSA-N 1 0 384.571 2.447 20 30 GEEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000330395785 647335305 /nfs/dbraw/zinc/33/53/05/647335305.db2.gz NFHBXOFEKXXHSS-LBPRGKRZSA-N 1 0 391.584 2.130 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000333230358 647466535 /nfs/dbraw/zinc/46/65/35/647466535.db2.gz UKMONJQZNWQJSB-DLBZAZTESA-N 1 0 383.514 2.039 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000333632406 647477328 /nfs/dbraw/zinc/47/73/28/647477328.db2.gz GVBYZKCCFSGORC-DLBZAZTESA-N 1 0 383.901 2.119 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363496149 647597464 /nfs/dbraw/zinc/59/74/64/647597464.db2.gz NTPMIFWENXOQNP-CYBMUJFWSA-N 1 0 382.306 2.291 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786352 647704200 /nfs/dbraw/zinc/70/42/00/647704200.db2.gz FIUFRWZERBXZCR-GUYCJALGSA-N 1 0 376.507 2.376 20 30 GEEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370200728 647781550 /nfs/dbraw/zinc/78/15/50/647781550.db2.gz ZUWPHNJNIZUGAX-OAHLLOKOSA-N 1 0 376.551 2.364 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415626073 648111169 /nfs/dbraw/zinc/11/11/69/648111169.db2.gz RYKIKBXAJSAWIY-CYBMUJFWSA-N 1 0 396.285 2.211 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416466902 648134384 /nfs/dbraw/zinc/13/43/84/648134384.db2.gz SNZNSPPYQZLDMR-AWEZNQCLSA-N 1 0 386.315 2.472 20 30 GEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419673522 648362302 /nfs/dbraw/zinc/36/23/02/648362302.db2.gz IZUUUTKAQGNKSE-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419682787 648363924 /nfs/dbraw/zinc/36/39/24/648363924.db2.gz KELMBTQZPYIWEM-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423231458 648587926 /nfs/dbraw/zinc/58/79/26/648587926.db2.gz LCPPSXJJCDOIHR-UHFFFAOYSA-N 1 0 398.276 2.053 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000424186088 648615855 /nfs/dbraw/zinc/61/58/55/648615855.db2.gz HQFNHBYSHRUNAC-GFCCVEGCSA-N 1 0 378.230 2.136 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000550826906 651115416 /nfs/dbraw/zinc/11/54/16/651115416.db2.gz OSKYEIVHIRIGQR-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000558298429 651278474 /nfs/dbraw/zinc/27/84/74/651278474.db2.gz LAZFMOYDOODNAS-NSHDSACASA-N 1 0 376.511 2.774 20 30 GEEDRO C=CCNS(=O)(=O)c1ccccc1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000603344233 651482736 /nfs/dbraw/zinc/48/27/36/651482736.db2.gz NZLWVZNURBWSOC-SJORKVTESA-N 1 0 381.567 2.167 20 30 GEEDRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000565235747 651590021 /nfs/dbraw/zinc/59/00/21/651590021.db2.gz QKQQEHAODGSORL-CYBMUJFWSA-N 1 0 383.901 2.085 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)n1 ZINC000568192421 651655594 /nfs/dbraw/zinc/65/55/94/651655594.db2.gz KDALDLAPBLHEIA-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CC[N@@H+](CCCC(=O)NC(N)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195719 651693302 /nfs/dbraw/zinc/69/33/02/651693302.db2.gz USQWOPXNILCEPY-CQSZACIVSA-N 1 0 394.269 2.183 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000735939617 651802840 /nfs/dbraw/zinc/80/28/40/651802840.db2.gz IMEXBKWMUHZDMS-UHFFFAOYSA-N 1 0 379.254 2.276 20 30 GEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc(Br)cc(C#N)c1)CC[NH2+]CC2 ZINC000576270065 652101030 /nfs/dbraw/zinc/10/10/30/652101030.db2.gz XNWIVGLCMCNEHL-GFCCVEGCSA-N 1 0 398.326 2.473 20 30 GEEDRO C[S@@](=O)Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000576392607 652113271 /nfs/dbraw/zinc/11/32/71/652113271.db2.gz AZAWFQJLPBMFHT-XMMPIXPASA-N 1 0 376.503 2.000 20 30 GEEDRO COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c(Cl)c1 ZINC000576696761 652137890 /nfs/dbraw/zinc/13/78/90/652137890.db2.gz QDIRIOIQNZWSBS-UHFFFAOYSA-N 1 0 379.869 2.221 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000748672547 652211031 /nfs/dbraw/zinc/21/10/31/652211031.db2.gz WLFGSNWYAQFFKZ-UHFFFAOYSA-N 1 0 376.400 2.351 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Br)cc2)nc1 ZINC000577842309 652221054 /nfs/dbraw/zinc/22/10/54/652221054.db2.gz QWJWTOOWAGFTOX-UHFFFAOYSA-N 1 0 394.294 2.322 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc(Br)c1C#N ZINC000577949245 652231428 /nfs/dbraw/zinc/23/14/28/652231428.db2.gz BEUHMBLAMPSXFV-LBPRGKRZSA-N 1 0 393.285 2.026 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000624392325 652289690 /nfs/dbraw/zinc/28/96/90/652289690.db2.gz OVRSTPNYBDFKQO-RQJHMYQMSA-N 1 0 394.312 2.391 20 30 GEEDRO CN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000579796778 652354663 /nfs/dbraw/zinc/35/46/63/652354663.db2.gz PCMBCWMHVOYHCK-UHFFFAOYSA-N 1 0 379.302 2.078 20 30 GEEDRO C=CCN1CC[C@@H]([NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796936 652371958 /nfs/dbraw/zinc/37/19/58/652371958.db2.gz NZAKJOPFOLULEO-SJLPKXTDSA-N 1 0 379.298 2.045 20 30 GEEDRO N#CCC[C@@H](C#N)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000581982060 652430249 /nfs/dbraw/zinc/43/02/49/652430249.db2.gz DLLNNZFVYOCMPQ-HNNXBMFYSA-N 1 0 380.539 2.498 20 30 GEEDRO C=CC[NH+]1CCC(Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631109611 652520594 /nfs/dbraw/zinc/52/05/94/652520594.db2.gz SGRBVGYVWCTGOC-UHFFFAOYSA-N 1 0 379.404 2.295 20 30 GEEDRO Brc1cncc(N=NC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000758123682 652531193 /nfs/dbraw/zinc/53/11/93/652531193.db2.gz TWJHYTNVFPCXGV-UHFFFAOYSA-N 1 0 382.306 2.040 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000760571376 652615049 /nfs/dbraw/zinc/61/50/49/652615049.db2.gz BLFBKGSRDKEOMF-MRXNPFEDSA-N 1 0 393.325 2.062 20 30 GEEDRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1CC[NH3+] ZINC000593738209 652634337 /nfs/dbraw/zinc/63/43/37/652634337.db2.gz XLRBGDCVBRDBCP-FZMZJTMJSA-N 1 0 386.315 2.459 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)ccc(Br)c1C#N ZINC000595126439 652706780 /nfs/dbraw/zinc/70/67/80/652706780.db2.gz XNBMCFFJYVRQPW-JTQLQIEISA-N 1 0 381.274 2.024 20 30 GEEDRO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Br ZINC000595255959 652710623 /nfs/dbraw/zinc/71/06/23/652710623.db2.gz HHODRERUNBMWSP-KBPBESRZSA-N 1 0 382.258 2.191 20 30 GEEDRO COC[C@@H](C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411215 652724763 /nfs/dbraw/zinc/72/47/63/652724763.db2.gz ZSARVEZWDGNYNN-IAGOWNOFSA-N 1 0 382.302 2.293 20 30 GEEDRO N#CC[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615254 652735064 /nfs/dbraw/zinc/73/50/64/652735064.db2.gz LMZJBZFBKJWACB-ZDUSSCGKSA-N 1 0 393.285 2.129 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599105652 652850163 /nfs/dbraw/zinc/85/01/63/652850163.db2.gz ZNJBFLBFCSSXMC-MWLCHTKSSA-N 1 0 381.807 2.359 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602927561 653215752 /nfs/dbraw/zinc/21/57/52/653215752.db2.gz WOKUTGLUGNVKMM-OAHLLOKOSA-N 1 0 388.295 2.427 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H](O)c1cccc(Br)c1 ZINC000859328112 653442546 /nfs/dbraw/zinc/44/25/46/653442546.db2.gz KOIZLWRFPSRQGC-SJORKVTESA-N 1 0 397.313 2.486 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031393 653461887 /nfs/dbraw/zinc/46/18/87/653461887.db2.gz VUBVQIVZMSLKRX-QWHCGFSZSA-N 1 0 386.677 2.141 20 30 GEEDRO C#CCNC(=O)CC[N@H+](CC#C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815049102 653648222 /nfs/dbraw/zinc/64/82/22/653648222.db2.gz WYVVBICIVHGTDS-INIZCTEOSA-N 1 0 375.266 2.347 20 30 GEEDRO O=C(NCC[NH2+][C@H]1CCc2cccc(Br)c2C1)C1N=CC=CC1=O ZINC000815126798 653653145 /nfs/dbraw/zinc/65/31/45/653653145.db2.gz RJJSTLOKCLAYJY-FKEVTRRJSA-N 1 0 390.281 2.422 20 30 GEEDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350915 653655271 /nfs/dbraw/zinc/65/52/71/653655271.db2.gz AXXWGKHRWQMNAA-SJCJKPOMSA-N 1 0 397.269 2.352 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028169 653705296 /nfs/dbraw/zinc/70/52/96/653705296.db2.gz CEPTVFZYSWLFSJ-CPCISQLKSA-N 1 0 388.063 2.445 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000863564425 653715621 /nfs/dbraw/zinc/71/56/21/653715621.db2.gz UBVZYJCDSIVEDM-PBHICJAKSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000818595702 653734469 /nfs/dbraw/zinc/73/44/69/653734469.db2.gz KKLPWYRUEQPBOI-UHFFFAOYSA-N 1 0 380.286 2.318 20 30 GEEDRO C#C[C@H](NC(=O)NCC1(COC)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000841992471 653743235 /nfs/dbraw/zinc/74/32/35/653743235.db2.gz YFBNKHDSNANJSG-INIZCTEOSA-N 1 0 394.313 2.439 20 30 GEEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(Cl)cc1I ZINC000819267837 653747572 /nfs/dbraw/zinc/74/75/72/653747572.db2.gz YJTDLUBWZOZRSI-UHFFFAOYSA-N 1 0 376.625 2.174 20 30 GEEDRO C#CCNC(=O)CC[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000819373272 653749780 /nfs/dbraw/zinc/74/97/80/653749780.db2.gz FSWMHSYOKQPBDU-UHFFFAOYSA-N 1 0 378.314 2.143 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865193909 653756735 /nfs/dbraw/zinc/75/67/35/653756735.db2.gz PJUNDFIYTUCEAK-KRWDZBQOSA-N 1 0 394.313 2.393 20 30 GEEDRO N#Cc1cccc(Br)c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000865631772 653770546 /nfs/dbraw/zinc/77/05/46/653770546.db2.gz IMIRAIYYPUODKC-HNNXBMFYSA-N 1 0 377.286 2.239 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843096054 653779171 /nfs/dbraw/zinc/77/91/71/653779171.db2.gz QVPKIAGENFWSHG-KDOFPFPSSA-N 1 0 391.265 2.384 20 30 GEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460366 653787597 /nfs/dbraw/zinc/78/75/97/653787597.db2.gz OAKLNYWTPMXBFG-WFASDCNBSA-N 1 0 388.269 2.093 20 30 GEEDRO COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1Br ZINC000884118538 653864634 /nfs/dbraw/zinc/86/46/34/653864634.db2.gz JFTDLJJENJETTM-JZLYGMAVSA-N 1 0 378.270 2.213 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000884130915 653865266 /nfs/dbraw/zinc/86/52/66/653865266.db2.gz VZYSIZDYOIIVQO-UIORMTCPSA-N 1 0 380.261 2.386 20 30 GEEDRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000846676032 653906186 /nfs/dbraw/zinc/90/61/86/653906186.db2.gz BIBLWSMDSIGNEO-GXTWGEPZSA-N 1 0 375.885 2.154 20 30 GEEDRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000846676033 653906288 /nfs/dbraw/zinc/90/62/88/653906288.db2.gz BIBLWSMDSIGNEO-JSGCOSHPSA-N 1 0 375.885 2.154 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]2CSCC[NH2+]2)nc1C ZINC000826530782 653952427 /nfs/dbraw/zinc/95/24/27/653952427.db2.gz IMUVENXWWILFHP-JTQLQIEISA-N 1 0 396.567 2.218 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@@H]21 ZINC000867808660 653990318 /nfs/dbraw/zinc/99/03/18/653990318.db2.gz NWOPSDBATIRELK-FZMZJTMJSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000886582562 653992437 /nfs/dbraw/zinc/99/24/37/653992437.db2.gz ZVFBWTBIHZAQRL-UHFFFAOYSA-N 1 0 393.281 2.390 20 30 GEEDRO O=C(NCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)C1N=CC=CC1=O ZINC000796309510 653995445 /nfs/dbraw/zinc/99/54/45/653995445.db2.gz XHRPQPGVHNWJRF-PEZBUJJGSA-N 1 0 380.235 2.257 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCc1c(C)cc(Br)cc1C ZINC000849073647 654003549 /nfs/dbraw/zinc/00/35/49/654003549.db2.gz SNAUPEIEFZGBLF-UHFFFAOYSA-N 1 0 383.334 2.063 20 30 GEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000886889212 654006856 /nfs/dbraw/zinc/00/68/56/654006856.db2.gz LGLUAPAJZWLGHL-HIFRSBDPSA-N 1 0 375.416 2.291 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000828478399 654037323 /nfs/dbraw/zinc/03/73/23/654037323.db2.gz UVKYTFWDCCHSBY-ZDUSSCGKSA-N 1 0 392.135 2.486 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000828477922 654037482 /nfs/dbraw/zinc/03/74/82/654037482.db2.gz KMCNCUIIQNORNR-UHFFFAOYSA-N 1 0 391.269 2.249 20 30 GEEDRO C#C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000868619158 654046396 /nfs/dbraw/zinc/04/63/96/654046396.db2.gz IPGMMXOBWUZNFB-MRXNPFEDSA-N 1 0 375.270 2.312 20 30 GEEDRO N#C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1Br ZINC000900701258 654077161 /nfs/dbraw/zinc/07/71/61/654077161.db2.gz WJXZVBQSDQXVNY-INIZCTEOSA-N 1 0 378.270 2.241 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccccc1C#N ZINC000901729848 654144493 /nfs/dbraw/zinc/14/44/93/654144493.db2.gz USMIGLQWSZOAFV-YPMHNXCESA-N 1 0 388.269 2.449 20 30 GEEDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000918243220 654146184 /nfs/dbraw/zinc/14/61/84/654146184.db2.gz JAQVZLTYVYYHQD-HYVNUMGLSA-N 1 0 383.539 2.023 20 30 GEEDRO C#CC[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CCN(C)CC1 ZINC000902538916 654182360 /nfs/dbraw/zinc/18/23/60/654182360.db2.gz LICAVEOOVYGUKI-UHFFFAOYSA-N 1 0 389.297 2.146 20 30 GEEDRO CC[NH+]1CCC(NC(=O)COc2c(F)cc(C#N)cc2Br)CC1 ZINC000902592279 654186100 /nfs/dbraw/zinc/18/61/00/654186100.db2.gz JDEUNPLWZBZUDU-UHFFFAOYSA-N 1 0 384.249 2.439 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Br ZINC000903491310 654241167 /nfs/dbraw/zinc/24/11/67/654241167.db2.gz DIYISTDNDMVCAS-UHFFFAOYSA-N 1 0 398.326 2.475 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000903494454 654241550 /nfs/dbraw/zinc/24/15/50/654241550.db2.gz IISSQRXODXXITJ-XEGUGMAKSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000903498534 654241966 /nfs/dbraw/zinc/24/19/66/654241966.db2.gz AMXYNPZLRKUJRY-STQMWFEESA-N 1 0 398.326 2.331 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000852821314 654261828 /nfs/dbraw/zinc/26/18/28/654261828.db2.gz KTDRBMBOPXMHMM-KRWDZBQOSA-N 1 0 377.282 2.352 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1C(F)(F)F ZINC000871813381 654263628 /nfs/dbraw/zinc/26/36/28/654263628.db2.gz IEYIHSHEDFFMSS-WDSKDSINSA-N 1 0 380.285 2.001 20 30 GEEDRO C#C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000853116750 654280242 /nfs/dbraw/zinc/28/02/42/654280242.db2.gz ZMNQAQOJDBQBQO-NVXWUHKLSA-N 1 0 386.261 2.346 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC000872351373 654324987 /nfs/dbraw/zinc/32/49/87/654324987.db2.gz DGKFVACEYZFQAT-UHFFFAOYSA-N 1 0 386.547 2.240 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489741 654329717 /nfs/dbraw/zinc/32/97/17/654329717.db2.gz OVQWDJUFJULCKG-VDTYLAMSSA-N 1 0 379.077 2.114 20 30 GEEDRO C[C@@](O)(C[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000905083083 654329794 /nfs/dbraw/zinc/32/97/94/654329794.db2.gz PKBNQZWREFDSJT-SNVBAGLBSA-N 1 0 386.283 2.468 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489739 654329926 /nfs/dbraw/zinc/32/99/26/654329926.db2.gz OVQWDJUFJULCKG-FSPLSTOPSA-N 1 0 379.077 2.114 20 30 GEEDRO [NH3+]C[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000892708206 654360963 /nfs/dbraw/zinc/36/09/63/654360963.db2.gz RHFZXRIKPIAREG-JGVFFNPUSA-N 1 0 387.271 2.327 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835139897 654364204 /nfs/dbraw/zinc/36/42/04/654364204.db2.gz MOTJCNJFRKZMEI-CQSZACIVSA-N 1 0 377.238 2.340 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855324602 654412213 /nfs/dbraw/zinc/41/22/13/654412213.db2.gz ZOZDSLKORCVYJN-PWSUYJOCSA-N 1 0 380.124 2.459 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979815 654495336 /nfs/dbraw/zinc/49/53/36/654495336.db2.gz CBZBQDVDDPVXCV-NHYWBVRUSA-N 1 0 386.315 2.281 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000924009740 654497137 /nfs/dbraw/zinc/49/71/37/654497137.db2.gz YHLJQPLIQWFACC-UHFFFAOYSA-N 1 0 395.257 2.254 20 30 GEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907029728 654501776 /nfs/dbraw/zinc/50/17/76/654501776.db2.gz QTNCMIAEJFYFBD-UHFFFAOYSA-N 1 0 378.420 2.238 20 30 GEEDRO CCN(CCC#N)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907347885 654534473 /nfs/dbraw/zinc/53/44/73/654534473.db2.gz VVVINKRJUKQDMM-MRXNPFEDSA-N 1 0 384.571 2.291 20 30 GEEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925313087 654540986 /nfs/dbraw/zinc/54/09/86/654540986.db2.gz LMCIEGNXFNJMGP-OAHLLOKOSA-N 1 0 394.269 2.006 20 30 GEEDRO Cc1c(C)c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1I ZINC000926204419 654563261 /nfs/dbraw/zinc/56/32/61/654563261.db2.gz UXCNMNCBYUDQKO-GWCFXTLKSA-N 1 0 384.221 2.141 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219511 654563611 /nfs/dbraw/zinc/56/36/11/654563611.db2.gz POIOKUYOWSGWMG-RDDDGLTNSA-N 1 0 390.612 2.178 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000908698582 654638328 /nfs/dbraw/zinc/63/83/28/654638328.db2.gz QUOTXYGVUXAPLZ-INIZCTEOSA-N 1 0 385.302 2.457 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Br ZINC000931380481 654740414 /nfs/dbraw/zinc/74/04/14/654740414.db2.gz PSBDOOFXXNKLPL-HOTGVXAUSA-N 1 0 393.285 2.384 20 30 GEEDRO C[C@H](CNC(=O)Nc1ccc(C#N)cc1I)C[NH+](C)C ZINC000932548634 654781051 /nfs/dbraw/zinc/78/10/51/654781051.db2.gz CRVGHWGEPQAIOR-SNVBAGLBSA-N 1 0 386.237 2.482 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437517 654813136 /nfs/dbraw/zinc/81/31/36/654813136.db2.gz OHAFREKEGMDORO-QGZVFWFLSA-N 1 0 382.302 2.094 20 30 GEEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000933437565 654813236 /nfs/dbraw/zinc/81/32/36/654813236.db2.gz PFUNFMDVFDEBPR-QZTJIDSGSA-N 1 0 394.313 2.141 20 30 GEEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1C#N)CC2 ZINC001164711036 720095672 /nfs/dbraw/zinc/09/56/72/720095672.db2.gz NKCYQUKMSZLHHZ-GOSISDBHSA-N 1 0 378.480 2.251 20 30 GEEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(C#N)n1)CC2 ZINC001164711146 720103252 /nfs/dbraw/zinc/10/32/52/720103252.db2.gz OTPQUKOPLTUKNS-IBGZPJMESA-N 1 0 378.480 2.251 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1C#N ZINC001164745819 720837678 /nfs/dbraw/zinc/83/76/78/720837678.db2.gz NOLUAVRMJCHEGF-XUVXKRRUSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)nc1C)CC2 ZINC001164789386 721464421 /nfs/dbraw/zinc/46/44/21/721464421.db2.gz XPAGEZJTUPQOTI-HXUWFJFHSA-N 1 0 399.539 2.391 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164787705 721464438 /nfs/dbraw/zinc/46/44/38/721464438.db2.gz RRTREVDSPNFPEU-HXUWFJFHSA-N 1 0 399.539 2.277 20 30 GEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(cc2C#N)CCCC3)CC1 ZINC001165010335 721745114 /nfs/dbraw/zinc/74/51/14/721745114.db2.gz LSXULQTXUIXGSR-UHFFFAOYSA-N 1 0 381.524 2.355 20 30 GEEDRO Cc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)cc1C#N ZINC001165013265 721749660 /nfs/dbraw/zinc/74/96/60/721749660.db2.gz WEOKOHRFKKTPIE-UHFFFAOYSA-N 1 0 375.904 2.438 20 30 GEEDRO Cc1nc(C#N)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164965463 722061777 /nfs/dbraw/zinc/06/17/77/722061777.db2.gz KBFZROVODABKNJ-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164982591 722120146 /nfs/dbraw/zinc/12/01/46/722120146.db2.gz XHVIMLOTNGGMFG-SJLPKXTDSA-N 1 0 398.898 2.432 20 30 GEEDRO C=CCOC[C@H]1CCC[C@]12CN(c1cccc(N3CC[NH+](C)CC3)n1)CCO2 ZINC001164974617 722168737 /nfs/dbraw/zinc/16/87/37/722168737.db2.gz GKYKACFOLHHINW-KNQAVFIVSA-N 1 0 386.540 2.412 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3ccc(C#N)cc31)CCC2 ZINC001164999875 722251364 /nfs/dbraw/zinc/25/13/64/722251364.db2.gz HZXNAGWHHRNGIE-UHFFFAOYSA-N 1 0 391.479 2.186 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C[NH+]1CCCC1 ZINC000155136837 531660519 /nfs/dbraw/zinc/66/05/19/531660519.db2.gz OMKJKHLHPHCMJF-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211499 531776193 /nfs/dbraw/zinc/77/61/93/531776193.db2.gz QJZDIKWWSGMDMJ-STQMWFEESA-N 1 0 395.301 2.185 20 30 GEEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)Cc1cc(Br)cn1C ZINC000159477117 531783516 /nfs/dbraw/zinc/78/35/16/531783516.db2.gz OCMZHJQXCZMLDR-UHFFFAOYSA-N 1 0 381.322 2.345 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000171726377 531913385 /nfs/dbraw/zinc/91/33/85/531913385.db2.gz VYIZOULLIJBUNT-UHFFFAOYSA-N 1 0 394.313 2.336 20 30 GEEDRO CN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000078611194 531919679 /nfs/dbraw/zinc/91/96/79/531919679.db2.gz CAOBXDAGHZPOCL-UHFFFAOYSA-N 1 0 384.933 2.232 20 30 GEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125642094 532139426 /nfs/dbraw/zinc/13/94/26/532139426.db2.gz HZXWXMGBNRPNHN-RDJZCZTQSA-N 1 0 380.286 2.223 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180091895 532256817 /nfs/dbraw/zinc/25/68/17/532256817.db2.gz RPSAMVMNECQJDX-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640838 532303927 /nfs/dbraw/zinc/30/39/27/532303927.db2.gz ZAADNBOWWFFORI-HOCLYGCPSA-N 1 0 379.503 2.246 20 30 GEEDRO N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(F)cc1Br ZINC000188172424 532347016 /nfs/dbraw/zinc/34/70/16/532347016.db2.gz QXEXUINRMHSRDD-UHFFFAOYSA-N 1 0 398.276 2.205 20 30 GEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Br)cc1C#N ZINC000295305702 532432486 /nfs/dbraw/zinc/43/24/86/532432486.db2.gz KOAFNNMTMQUZOU-UHFFFAOYSA-N 1 0 381.318 2.276 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747743 532458752 /nfs/dbraw/zinc/45/87/52/532458752.db2.gz LSCFCEKLQFIQBI-MRXNPFEDSA-N 1 0 391.313 2.357 20 30 GEEDRO CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC[NH+](C)CC1 ZINC000592744215 532459300 /nfs/dbraw/zinc/45/93/00/532459300.db2.gz NVTZTHNPQQFTLH-UHFFFAOYSA-N 1 0 391.313 2.310 20 30 GEEDRO CC[N@H+](CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 ZINC000592756522 532460456 /nfs/dbraw/zinc/46/04/56/532460456.db2.gz FDPUKSOLIZYSNV-UHFFFAOYSA-N 1 0 391.313 2.357 20 30 GEEDRO C[C@H](CC[NH+](C)C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592763988 532460760 /nfs/dbraw/zinc/46/07/60/532460760.db2.gz RNGHBQMYHURMED-GFCCVEGCSA-N 1 0 379.302 2.213 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629786102 532502852 /nfs/dbraw/zinc/50/28/52/532502852.db2.gz KYHNWXFTTPNUJJ-HDICACEKSA-N 1 0 381.929 2.374 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc(Br)c1C#N ZINC000563620593 532506307 /nfs/dbraw/zinc/50/63/07/532506307.db2.gz ZAAVTIIRSVCKMQ-NSHDSACASA-N 1 0 393.285 2.026 20 30 GEEDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000594476620 532509105 /nfs/dbraw/zinc/50/91/05/532509105.db2.gz VFOALMKHJQJMFU-JGZJWPJOSA-N 1 0 390.278 2.078 20 30 GEEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000594504809 532511893 /nfs/dbraw/zinc/51/18/93/532511893.db2.gz LCTBKEZGXQKOOY-MRXNPFEDSA-N 1 0 378.519 2.474 20 30 GEEDRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000594506436 532512645 /nfs/dbraw/zinc/51/26/45/532512645.db2.gz RDZVUUHFFGSYOT-UHFFFAOYSA-N 1 0 386.257 2.196 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000374399375 532501357 /nfs/dbraw/zinc/50/13/57/532501357.db2.gz BHRZJRWLPJADQM-CVEARBPZSA-N 1 0 384.571 2.276 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595088748 532544094 /nfs/dbraw/zinc/54/40/94/532544094.db2.gz CDFXQQYIBSUBLH-ZDUSSCGKSA-N 1 0 393.285 2.248 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283517714 532544389 /nfs/dbraw/zinc/54/43/89/532544389.db2.gz FBSWQPYMZYRALT-MRXNPFEDSA-N 1 0 382.302 2.432 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433310743 532563224 /nfs/dbraw/zinc/56/32/24/532563224.db2.gz DNWYOVAQWDOJDF-AWEZNQCLSA-N 1 0 380.286 2.325 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432872079 532546673 /nfs/dbraw/zinc/54/66/73/532546673.db2.gz KQDUFNRHYJQHAZ-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccc(Cl)cn2)=[NH+]C2CCCC2)C1 ZINC000262398925 532591093 /nfs/dbraw/zinc/59/10/93/532591093.db2.gz NIVHRVGWCYJUBX-CYBMUJFWSA-N 1 0 384.933 2.148 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000596926915 532608418 /nfs/dbraw/zinc/60/84/18/532608418.db2.gz VUMQZFJPVFAKTH-UHFFFAOYSA-N 1 0 394.273 2.339 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)NCC12CCC[NH+]1CCC2 ZINC000597586933 532623430 /nfs/dbraw/zinc/62/34/30/532623430.db2.gz LHAPKFJNDDDKIL-UHFFFAOYSA-N 1 0 378.270 2.444 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566909183 532629104 /nfs/dbraw/zinc/62/91/04/532629104.db2.gz GSZHWAHVQMKJCU-JKOKRWQUSA-N 1 0 389.315 2.338 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCOc2cccc(Br)c2)CCOCC1 ZINC000600719350 532680262 /nfs/dbraw/zinc/68/02/62/532680262.db2.gz JUWMMAAZVPKVEM-OAHLLOKOSA-N 1 0 383.286 2.489 20 30 GEEDRO CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000299439711 532716954 /nfs/dbraw/zinc/71/69/54/532716954.db2.gz VTMXIVOKJDRUBK-BZUAXINKSA-N 1 0 376.551 2.237 20 30 GEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594638 532757300 /nfs/dbraw/zinc/75/73/00/532757300.db2.gz QUOXXEQALJGACP-DLBZAZTESA-N 1 0 380.286 2.055 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000542046633 532763820 /nfs/dbraw/zinc/76/38/20/532763820.db2.gz IYVAKCKSYMKSAU-SHACYNPGSA-N 1 0 376.503 2.420 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000302055153 532765717 /nfs/dbraw/zinc/76/57/17/532765717.db2.gz AMSWDORGDXLEIN-MRXNPFEDSA-N 1 0 377.286 2.239 20 30 GEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000287060852 532781952 /nfs/dbraw/zinc/78/19/52/532781952.db2.gz ASAFGTAJSIQLQW-VXGBXAGGSA-N 1 0 381.274 2.240 20 30 GEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287411110 532794463 /nfs/dbraw/zinc/79/44/63/532794463.db2.gz JVLATZREWHJVLN-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO COc1ccc([C@@H](C)NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1Br ZINC000329703399 532810024 /nfs/dbraw/zinc/81/00/24/532810024.db2.gz IIADBGGXKGDOEU-DIOULYMOSA-N 1 0 398.301 2.448 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000330374271 532817396 /nfs/dbraw/zinc/81/73/96/532817396.db2.gz MNVUJJKNMAEEFL-UONOGXRCSA-N 1 0 393.456 2.243 20 30 GEEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414916872 532835919 /nfs/dbraw/zinc/83/59/19/532835919.db2.gz TZZLNTWQAQPKQQ-NSHDSACASA-N 1 0 376.511 2.679 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@H]2C[NH2+]CCN2C)cc1OCC ZINC000414964758 532836136 /nfs/dbraw/zinc/83/61/36/532836136.db2.gz MTZKDTGWEYSKAY-OAHLLOKOSA-N 1 0 398.345 2.406 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415651973 532852108 /nfs/dbraw/zinc/85/21/08/532852108.db2.gz HAHSSRKLXGKXRA-WCQYABFASA-N 1 0 396.285 2.067 20 30 GEEDRO CC1(C#N)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333712171 532872141 /nfs/dbraw/zinc/87/21/41/532872141.db2.gz TWOJEKAGFRWWFN-UHFFFAOYSA-N 1 0 380.246 2.058 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Br ZINC000333871304 532874351 /nfs/dbraw/zinc/87/43/51/532874351.db2.gz RXSHUAWVZXQLDE-CZUORRHYSA-N 1 0 398.326 2.473 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416394747 532875515 /nfs/dbraw/zinc/87/55/15/532875515.db2.gz XKIOWSZVFALNGC-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000290345453 532878412 /nfs/dbraw/zinc/87/84/12/532878412.db2.gz NKRFHXHDUXDDLH-LLVKDONJSA-N 1 0 381.274 2.104 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)nc1C ZINC000364202486 532904329 /nfs/dbraw/zinc/90/43/29/532904329.db2.gz UELVOIPAPABILA-QFYYESIMSA-N 1 0 376.511 2.123 20 30 GEEDRO Cc1nsc(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)c1C#N ZINC000291794809 532908606 /nfs/dbraw/zinc/90/86/06/532908606.db2.gz BEHDDCMZXLIBHD-UHFFFAOYSA-N 1 0 375.523 2.409 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000365700113 532911620 /nfs/dbraw/zinc/91/16/20/532911620.db2.gz GQVMVKIQFUGWAM-TUKIKUTGSA-N 1 0 384.299 2.069 20 30 GEEDRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000292649498 532917292 /nfs/dbraw/zinc/91/72/92/532917292.db2.gz NJLVSROJFLVEHE-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO N#CCCOCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000292757018 532918036 /nfs/dbraw/zinc/91/80/36/532918036.db2.gz IPARGPCJHBLEFT-ZDUSSCGKSA-N 1 0 381.274 2.425 20 30 GEEDRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1 ZINC000293412886 532926504 /nfs/dbraw/zinc/92/65/04/532926504.db2.gz SELJWXYCHJPJQD-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000293493288 532927826 /nfs/dbraw/zinc/92/78/26/532927826.db2.gz WPPQWWDBQXIXIL-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]21 ZINC000371505563 532948357 /nfs/dbraw/zinc/94/83/57/532948357.db2.gz KBQPDVOMOXGLIO-IUODEOHRSA-N 1 0 384.299 2.035 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735425604 598687804 /nfs/dbraw/zinc/68/78/04/598687804.db2.gz CMGDWUZFGASLKB-UHFFFAOYSA-N 1 0 384.484 2.182 20 30 GEEDRO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826257247 607673375 /nfs/dbraw/zinc/67/33/75/607673375.db2.gz UTIMNGMVMVRXCG-UHFFFAOYSA-N 1 0 389.463 2.251 20 30 GEEDRO COc1cc(C)nc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821713327 606165999 /nfs/dbraw/zinc/16/59/99/606165999.db2.gz VCDZQUZGWPHVKA-UHFFFAOYSA-N 1 0 393.455 2.038 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420125 606309299 /nfs/dbraw/zinc/30/92/99/606309299.db2.gz MMRXAXYMHCEFHD-ABAIWWIYSA-N 1 0 379.449 2.256 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821585943 606537968 /nfs/dbraw/zinc/53/79/68/606537968.db2.gz BZJXDZLFFBXHSM-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncc(C#N)cc1Cl ZINC000821586156 607114111 /nfs/dbraw/zinc/11/41/11/607114111.db2.gz LZDZKWXEPVIZKI-UHFFFAOYSA-N 1 0 382.859 2.355 20 30 GEEDRO C=C(C)[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823872986 607880791 /nfs/dbraw/zinc/88/07/91/607880791.db2.gz GGYJXRJLGFKDOV-IBGZPJMESA-N 1 0 398.511 2.272 20 30 GEEDRO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)OCC ZINC000823874022 607888238 /nfs/dbraw/zinc/88/82/38/607888238.db2.gz RDEFYQJVNJEBGW-SFHVURJKSA-N 1 0 386.500 2.128 20 30 GEEDRO COc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826206897 607971965 /nfs/dbraw/zinc/97/19/65/607971965.db2.gz PZXDUSLNLUXFAC-UHFFFAOYSA-N 1 0 394.435 2.263 20 30 GEEDRO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3cc(-c4nn[nH]n4)cc(Cl)n3)cc2)CC1 ZINC000826038709 608218155 /nfs/dbraw/zinc/21/81/55/608218155.db2.gz VWNATHKUICOTPW-UHFFFAOYSA-N 1 0 397.874 2.113 20 30 GEEDRO C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000823846087 608376722 /nfs/dbraw/zinc/37/67/22/608376722.db2.gz YSIULAJSPDDLDA-UHFFFAOYSA-N 1 0 399.405 2.162 20 30 GEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569046 608484303 /nfs/dbraw/zinc/48/43/03/608484303.db2.gz GBMBEPPOFACHDO-KBXCAEBGSA-N 1 0 378.436 2.023 20 30 GEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000824034404 608514797 /nfs/dbraw/zinc/51/47/97/608514797.db2.gz JGALFNRODQPPMS-MRXNPFEDSA-N 1 0 389.463 2.480 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000823914484 608544699 /nfs/dbraw/zinc/54/46/99/608544699.db2.gz JMXFNSMPTAYAST-SFHVURJKSA-N 1 0 379.420 2.186 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000825411872 609257166 /nfs/dbraw/zinc/25/71/66/609257166.db2.gz FVHUZCWRJZLYEE-QFBILLFUSA-N 1 0 396.495 2.112 20 30 GEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000826385262 609600285 /nfs/dbraw/zinc/60/02/85/609600285.db2.gz DNOXIHGFWUNBLS-MRXNPFEDSA-N 1 0 379.449 2.085 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000449650980 650044434 /nfs/dbraw/zinc/04/44/34/650044434.db2.gz MPJSGCJHOMVZJG-CVEARBPZSA-N 1 0 378.270 2.443 20 30 GEEDRO [NH3+]CC[C@@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(F)(F)F ZINC000449719894 650047710 /nfs/dbraw/zinc/04/77/10/650047710.db2.gz LZYBWAYHCNCPIN-MRVPVSSYSA-N 1 0 377.260 2.370 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449748395 650048615 /nfs/dbraw/zinc/04/86/15/650048615.db2.gz LVHFPNSQLKWNHO-QWHCGFSZSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449750441 650048987 /nfs/dbraw/zinc/04/89/87/650048987.db2.gz UNSBCIYBMXQOII-KBPBESRZSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449788590 650050000 /nfs/dbraw/zinc/05/00/00/650050000.db2.gz CGSXANAHBFBDRE-GFCCVEGCSA-N 1 0 378.270 2.300 20 30 GEEDRO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000450028638 650058725 /nfs/dbraw/zinc/05/87/25/650058725.db2.gz RSQCYJMZVICDDU-JSGCOSHPSA-N 1 0 380.286 2.238 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000450487964 650066057 /nfs/dbraw/zinc/06/60/57/650066057.db2.gz NVZBVNGBYYFWOH-SWLSCSKDSA-N 1 0 378.270 2.252 20 30 GEEDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000450960583 650076431 /nfs/dbraw/zinc/07/64/31/650076431.db2.gz RUBTVYZCBSUXCN-UHFFFAOYSA-N 1 0 378.267 2.080 20 30 GEEDRO CC(C)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000451160909 650091725 /nfs/dbraw/zinc/09/17/25/650091725.db2.gz GPTRGKKJOQDDJX-MRXNPFEDSA-N 1 0 380.286 2.498 20 30 GEEDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451422106 650112655 /nfs/dbraw/zinc/11/26/55/650112655.db2.gz ABZVVSFBWOQCCB-JTQLQIEISA-N 1 0 392.294 2.468 20 30 GEEDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452085979 650172166 /nfs/dbraw/zinc/17/21/66/650172166.db2.gz OQTYWHJBSFSRAH-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452092499 650172472 /nfs/dbraw/zinc/17/24/72/650172472.db2.gz UUFULCTUHUWIKU-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)c1cccs1 ZINC000453573172 650209300 /nfs/dbraw/zinc/20/93/00/650209300.db2.gz IBDRULSGSKHGHS-CYBMUJFWSA-N 1 0 377.857 2.026 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500204828 650372321 /nfs/dbraw/zinc/37/23/21/650372321.db2.gz ALYGPTZXUXSWKY-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO CCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503282814 650417437 /nfs/dbraw/zinc/41/74/37/650417437.db2.gz KXPDHPXMKUIQOZ-QGZVFWFLSA-N 1 0 393.329 2.500 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920395 650508121 /nfs/dbraw/zinc/50/81/21/650508121.db2.gz HOCJFVRYLGXHTE-BXUZGUMPSA-N 1 0 383.279 2.084 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000069511449 643033217 /nfs/dbraw/zinc/03/32/17/643033217.db2.gz DIRLFTVXLDUPHY-INIZCTEOSA-N 1 0 393.281 2.125 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000069511442 643033471 /nfs/dbraw/zinc/03/34/71/643033471.db2.gz DIRLFTVXLDUPHY-MRXNPFEDSA-N 1 0 393.281 2.125 20 30 GEEDRO C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916697 643118458 /nfs/dbraw/zinc/11/84/58/643118458.db2.gz SKMMTUVLSZOBFM-UHFFFAOYSA-N 1 0 380.286 2.402 20 30 GEEDRO C[NH+]=C(NCCc1ccc(I)s1)NC[C@H]1CCCO1 ZINC000113871264 643406227 /nfs/dbraw/zinc/40/62/27/643406227.db2.gz RXGPGWIDQYZIBZ-SNVBAGLBSA-N 1 0 393.294 2.239 20 30 GEEDRO CC[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000127161923 643760716 /nfs/dbraw/zinc/76/07/16/643760716.db2.gz BOHYGRNQGHVTSU-IRXDYDNUSA-N 1 0 393.329 2.498 20 30 GEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000130772142 643850725 /nfs/dbraw/zinc/85/07/25/643850725.db2.gz ASWIJDJOFNKDDY-UONOGXRCSA-N 1 0 375.560 2.002 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000179344023 644455914 /nfs/dbraw/zinc/45/59/14/644455914.db2.gz KZCJUWPYCZRJNA-UHFFFAOYSA-N 1 0 390.285 2.410 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000180028838 644483984 /nfs/dbraw/zinc/48/39/84/644483984.db2.gz NINKBCLZKVYEPC-GFCCVEGCSA-N 1 0 379.258 2.382 20 30 GEEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000182613963 644965774 /nfs/dbraw/zinc/96/57/74/644965774.db2.gz NTMZYRJNLRKAAT-INIZCTEOSA-N 1 0 382.302 2.351 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193428488 645272024 /nfs/dbraw/zinc/27/20/24/645272024.db2.gz LSKXQHVUZBIRIH-UHFFFAOYSA-N 1 0 392.278 2.402 20 30 GEEDRO C=CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751558 645492619 /nfs/dbraw/zinc/49/26/19/645492619.db2.gz QFTWDWGCTBFAMS-GJZGRUSLSA-N 1 0 377.428 2.284 20 30 GEEDRO CC[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CCS[C@@H](CC)C1 ZINC000261929625 645612680 /nfs/dbraw/zinc/61/26/80/645612680.db2.gz LKJAMESQBXDZBY-INIZCTEOSA-N 1 0 384.571 2.351 20 30 GEEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N1CCc2c(Br)ccc(F)c2C1 ZINC000262260361 645623183 /nfs/dbraw/zinc/62/31/83/645623183.db2.gz DQDAFHNAVOISGD-UHFFFAOYSA-N 1 0 397.292 2.143 20 30 GEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000262369422 645629124 /nfs/dbraw/zinc/62/91/24/645629124.db2.gz IHTIJGOJPKGBIO-RDTXWAMCSA-N 1 0 382.961 2.342 20 30 GEEDRO COC(=O)c1csc(-c2cccc(CNC(=[NH2+])N3CCSCC3)c2)n1 ZINC000262378683 645629139 /nfs/dbraw/zinc/62/91/39/645629139.db2.gz NLTZMHXDDAAFGY-UHFFFAOYSA-N 1 0 376.507 2.460 20 30 GEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCN(C(=O)C(C)C)CC1 ZINC000262603087 645639982 /nfs/dbraw/zinc/63/99/82/645639982.db2.gz ZDCZDPQJNVSTPT-UHFFFAOYSA-N 1 0 377.436 2.038 20 30 GEEDRO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262737731 645643893 /nfs/dbraw/zinc/64/38/93/645643893.db2.gz CYVFWWKLMJQQLH-CYBMUJFWSA-N 1 0 391.317 2.127 20 30 GEEDRO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCCSCC#N)CC2)cc1 ZINC000268913882 646005222 /nfs/dbraw/zinc/00/52/22/646005222.db2.gz RUKNBRHYEJHSPI-UHFFFAOYSA-N 1 0 383.539 2.038 20 30 GEEDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)C[C@H]2CO)cn1 ZINC000277723497 646466902 /nfs/dbraw/zinc/46/69/02/646466902.db2.gz JIMHVVHZLPJXAS-HOTGVXAUSA-N 1 0 375.270 2.262 20 30 GEEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280556756 646694782 /nfs/dbraw/zinc/69/47/82/646694782.db2.gz JFAIDAQZIZGGPM-JTQLQIEISA-N 1 0 377.329 2.114 20 30 GEEDRO C[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281728863 646793254 /nfs/dbraw/zinc/79/32/54/646793254.db2.gz WBAAJEZOSVDAQU-GFCCVEGCSA-N 1 0 375.270 2.372 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn2ccc(Br)cc2n1 ZINC000285194123 646849759 /nfs/dbraw/zinc/84/97/59/646849759.db2.gz VRALXTGMZJNWDA-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287759203 646895774 /nfs/dbraw/zinc/89/57/74/646895774.db2.gz UFCNIJKKANXVQJ-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000293055503 647213862 /nfs/dbraw/zinc/21/38/62/647213862.db2.gz OMTAQYPGLXRMKS-UHFFFAOYSA-N 1 0 391.269 2.002 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc(Br)cn1 ZINC000299373542 647272544 /nfs/dbraw/zinc/27/25/44/647272544.db2.gz WJGWPQNNTKYZCI-UHFFFAOYSA-N 1 0 390.285 2.108 20 30 GEEDRO COCCNC(=[NH2+])NCCSCCOc1cccc(Br)c1 ZINC000304033496 647279415 /nfs/dbraw/zinc/27/94/15/647279415.db2.gz GVPCJZWRHSSVCX-UHFFFAOYSA-N 1 0 376.320 2.112 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000330538102 647343341 /nfs/dbraw/zinc/34/33/41/647343341.db2.gz KXUVGXXUOUKNHB-NEPJUHHUSA-N 1 0 386.290 2.390 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000330571727 647346001 /nfs/dbraw/zinc/34/60/01/647346001.db2.gz FSPVOLINWMWYCU-KGLIPLIRSA-N 1 0 393.456 2.243 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000330578695 647346201 /nfs/dbraw/zinc/34/62/01/647346201.db2.gz JNOBEMMJEZZOCG-STQMWFEESA-N 1 0 393.456 2.243 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000333627591 647477419 /nfs/dbraw/zinc/47/74/19/647477419.db2.gz GBYCAJFOTOHSKP-NVXWUHKLSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408112796 647927270 /nfs/dbraw/zinc/92/72/70/647927270.db2.gz NYTPNNUFDLPLLL-ZIAGYGMSSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000408395022 647951912 /nfs/dbraw/zinc/95/19/12/647951912.db2.gz LXATWANXXCYHOQ-CABCVRRESA-N 1 0 384.299 2.226 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416410905 648116169 /nfs/dbraw/zinc/11/61/69/648116169.db2.gz YHKYRANFSVVAOZ-RISCZKNCSA-N 1 0 386.315 2.424 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429534 648125447 /nfs/dbraw/zinc/12/54/47/648125447.db2.gz ZCUHSQHOJULSKG-QMTHXVAHSA-N 1 0 384.299 2.082 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432395 648125931 /nfs/dbraw/zinc/12/59/31/648125931.db2.gz JYONEYSOBPUGJK-HIFRSBDPSA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416510522 648154530 /nfs/dbraw/zinc/15/45/30/648154530.db2.gz IOCGKMANLSMCQD-UHFFFAOYSA-N 1 0 378.267 2.078 20 30 GEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419635737 648359105 /nfs/dbraw/zinc/35/91/05/648359105.db2.gz GQPCTPHOVZDCHM-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419661239 648360444 /nfs/dbraw/zinc/36/04/44/648360444.db2.gz DXHQCIHQXBFONI-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C[N@@H+]1C1CC1 ZINC000419677345 648363162 /nfs/dbraw/zinc/36/31/62/648363162.db2.gz NZCOQVAWEPWPJG-JQWIXIFHSA-N 1 0 391.269 2.001 20 30 GEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419702669 648367318 /nfs/dbraw/zinc/36/73/18/648367318.db2.gz VPHXQCCCLKEZFR-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423243183 648588354 /nfs/dbraw/zinc/58/83/54/648588354.db2.gz ZJZOTXZLOAGHHH-CQSZACIVSA-N 1 0 398.276 2.053 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424112932 648613589 /nfs/dbraw/zinc/61/35/89/648613589.db2.gz LGRFXBIVLFQJGI-ZDUSSCGKSA-N 1 0 381.274 2.224 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000424116260 648614261 /nfs/dbraw/zinc/61/42/61/648614261.db2.gz XHYJMXAOXFKLSY-CYBMUJFWSA-N 1 0 377.246 2.049 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc(Br)c1C#N ZINC000425738820 648692423 /nfs/dbraw/zinc/69/24/23/648692423.db2.gz IDJMTSOVRCGPJZ-SNVBAGLBSA-N 1 0 393.285 2.167 20 30 GEEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708407 648765818 /nfs/dbraw/zinc/76/58/18/648765818.db2.gz SRJNXDRYBAPPJK-LLVKDONJSA-N 1 0 377.304 2.340 20 30 GEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550418075 651111137 /nfs/dbraw/zinc/11/11/37/651111137.db2.gz WUJQMEWONOJTLK-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO CC(=O)c1cc(Br)ccc1OCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000551989274 651136760 /nfs/dbraw/zinc/13/67/60/651136760.db2.gz HOHJITZRQKFDOB-UHFFFAOYSA-N 1 0 394.269 2.135 20 30 GEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000603241747 651473675 /nfs/dbraw/zinc/47/36/75/651473675.db2.gz NFCBTISOUDYJOG-INIZCTEOSA-N 1 0 376.258 2.387 20 30 GEEDRO Cn1c(Sc2cc(C#N)c(Br)cn2)nnc1C1CC[NH2+]CC1 ZINC000603294449 651477724 /nfs/dbraw/zinc/47/77/24/651477724.db2.gz RQLBGUTZEODYSY-UHFFFAOYSA-N 1 0 379.287 2.462 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N/[C@H](C)c1cccs1 ZINC000730145100 651590992 /nfs/dbraw/zinc/59/09/92/651590992.db2.gz WNSNMQXFHYKXMI-VQQBODKTSA-N 1 0 382.555 2.197 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N\[C@H](C)c1cccs1 ZINC000730145098 651591147 /nfs/dbraw/zinc/59/11/47/651591147.db2.gz WNSNMQXFHYKXMI-UZLLHMFJSA-N 1 0 382.555 2.197 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Cl ZINC000565294506 651591575 /nfs/dbraw/zinc/59/15/75/651591575.db2.gz FUTUHXZKHJMWKH-IRXDYDNUSA-N 1 0 383.901 2.119 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000609352608 651617470 /nfs/dbraw/zinc/61/74/70/651617470.db2.gz HPNRBKBNKRNIHN-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657978 651676284 /nfs/dbraw/zinc/67/62/84/651676284.db2.gz XRALDVHKXNDHEX-AWEZNQCLSA-N 1 0 386.315 2.473 20 30 GEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000575123533 652063332 /nfs/dbraw/zinc/06/33/32/652063332.db2.gz LSKDMHYKNXDVLO-OCCSQVGLSA-N 1 0 399.232 2.064 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000576388281 652112407 /nfs/dbraw/zinc/11/24/07/652112407.db2.gz LBJKRGKZNHHZGG-DZGCQCFKSA-N 1 0 375.416 2.385 20 30 GEEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Br)cc3C#N)n2)CC1 ZINC000576701360 652138034 /nfs/dbraw/zinc/13/80/34/652138034.db2.gz BGHCVOKHYXSPSZ-UHFFFAOYSA-N 1 0 388.269 3.036 20 30 GEEDRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC(C)(C)CC#N ZINC000577483623 652191634 /nfs/dbraw/zinc/19/16/34/652191634.db2.gz CFJAZDNOQDINBE-UHFFFAOYSA-N 1 0 386.539 2.173 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000748671292 652210794 /nfs/dbraw/zinc/21/07/94/652210794.db2.gz JCSOOFPYDKWKCG-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+]1CCCC1 ZINC000577824269 652218484 /nfs/dbraw/zinc/21/84/84/652218484.db2.gz RQDDTGKGYWSFHX-SNVBAGLBSA-N 1 0 390.278 2.222 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000623471778 652239285 /nfs/dbraw/zinc/23/92/85/652239285.db2.gz SAYKIDLVUWDSKH-ZDUSSCGKSA-N 1 0 388.917 2.285 20 30 GEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625700885 652368101 /nfs/dbraw/zinc/36/81/01/652368101.db2.gz MZMRAUGBUAEOFI-CYBMUJFWSA-N 1 0 385.917 2.427 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000580343150 652376899 /nfs/dbraw/zinc/37/68/99/652376899.db2.gz JCCRJOCKKLPQHA-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CCOCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000753385939 652406171 /nfs/dbraw/zinc/40/61/71/652406171.db2.gz YUDLBYGKXXIBPC-UHFFFAOYSA-N 1 0 382.302 2.172 20 30 GEEDRO [NH3+]C[C@@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000627021572 652412603 /nfs/dbraw/zinc/41/26/03/652412603.db2.gz WEBZDPAONKUITE-RKDXNWHRSA-N 1 0 383.308 2.072 20 30 GEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000581663107 652420502 /nfs/dbraw/zinc/42/05/02/652420502.db2.gz SEZJGZYDTAIRQX-INIZCTEOSA-N 1 0 393.285 2.131 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Cl ZINC000581717091 652423110 /nfs/dbraw/zinc/42/31/10/652423110.db2.gz UCTZGKIJBFYTPG-PBHICJAKSA-N 1 0 383.901 2.119 20 30 GEEDRO C[S@](=O)Cc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000582541854 652454636 /nfs/dbraw/zinc/45/46/36/652454636.db2.gz OSEIDJJXLFQTIH-DEOSSOPVSA-N 1 0 376.503 2.000 20 30 GEEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150961 652589395 /nfs/dbraw/zinc/58/93/95/652589395.db2.gz KYOKEWJFJIXWNB-SWLSCSKDSA-N 1 0 389.677 2.193 20 30 GEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000593395500 652619714 /nfs/dbraw/zinc/61/97/14/652619714.db2.gz XNPOTDVJBVSXNY-OKILXGFUSA-N 1 0 394.313 2.479 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000593733491 652634049 /nfs/dbraw/zinc/63/40/49/652634049.db2.gz VDIJCEADOZFSLF-XKQJLSEDSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000593733527 652634084 /nfs/dbraw/zinc/63/40/84/652634084.db2.gz WODRYNIKLWUPNG-IMJJTQAJSA-N 1 0 383.901 2.261 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000594430014 652648606 /nfs/dbraw/zinc/64/86/06/652648606.db2.gz ZBGJHIJBPCJVLV-CQSZACIVSA-N 1 0 381.274 2.305 20 30 GEEDRO COc1cc(Br)c(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1OC ZINC000594437530 652649072 /nfs/dbraw/zinc/64/90/72/652649072.db2.gz LXBOQTWZBSSTST-CYBMUJFWSA-N 1 0 384.274 2.494 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000594436477 652649358 /nfs/dbraw/zinc/64/93/58/652649358.db2.gz JRQJKCOWLCOHHH-CQSZACIVSA-N 1 0 391.273 2.439 20 30 GEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000597942978 652793672 /nfs/dbraw/zinc/79/36/72/652793672.db2.gz ROKCADCKKFHGRL-AWEZNQCLSA-N 1 0 395.345 2.251 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357060 652863713 /nfs/dbraw/zinc/86/37/13/652863713.db2.gz KWABOAWMPPSWEL-JKSUJKDBSA-N 1 0 383.286 2.143 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Br ZINC000601352438 653087932 /nfs/dbraw/zinc/08/79/32/653087932.db2.gz VATWHXJQGICAOH-SWLSCSKDSA-N 1 0 384.299 2.083 20 30 GEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1snc(Cl)c1C#N ZINC000771255019 653102557 /nfs/dbraw/zinc/10/25/57/653102557.db2.gz CITBTJXIHYZHJF-AWEZNQCLSA-N 1 0 377.901 2.369 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000771516611 653114580 /nfs/dbraw/zinc/11/45/80/653114580.db2.gz RDHRWHWQTLDJER-UHFFFAOYSA-N 1 0 396.272 2.438 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000772115911 653139969 /nfs/dbraw/zinc/13/99/69/653139969.db2.gz JZTCNDVFKAEHGR-UHFFFAOYSA-N 1 0 394.225 2.481 20 30 GEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000772688429 653160054 /nfs/dbraw/zinc/16/00/54/653160054.db2.gz VRSPPFFUYMPARQ-OAHLLOKOSA-N 1 0 383.901 2.133 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000680847476 653171592 /nfs/dbraw/zinc/17/15/92/653171592.db2.gz YJGSUGKHMOLYOX-UHFFFAOYSA-N 1 0 383.290 2.310 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000857134593 653287927 /nfs/dbraw/zinc/28/79/27/653287927.db2.gz SYJCRYUJDHGMHA-UHFFFAOYSA-N 1 0 379.254 2.395 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775642751 653320127 /nfs/dbraw/zinc/32/01/27/653320127.db2.gz OVSDNAZDVWNQPS-HNNXBMFYSA-N 1 0 396.264 2.363 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000810428840 653339130 /nfs/dbraw/zinc/33/91/30/653339130.db2.gz OYEQAMSBAUVZHT-UHFFFAOYSA-N 1 0 376.810 2.468 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000778156143 653433448 /nfs/dbraw/zinc/43/34/48/653433448.db2.gz NXIUPWVZRJFDCO-UHFFFAOYSA-N 1 0 378.881 2.332 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558420 653435601 /nfs/dbraw/zinc/43/56/01/653435601.db2.gz MLJHBKJRYFGGRL-CZUORRHYSA-N 1 0 387.933 2.364 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000876664578 653441809 /nfs/dbraw/zinc/44/18/09/653441809.db2.gz WPZSOLJDRPTUQU-NSHDSACASA-N 1 0 381.281 2.172 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893557 653452071 /nfs/dbraw/zinc/45/20/71/653452071.db2.gz MGERCSUBBWCDSJ-CHWSQXEVSA-N 1 0 375.778 2.175 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000876894867 653452987 /nfs/dbraw/zinc/45/29/87/653452987.db2.gz YATICXVKUUSRSW-QWHCGFSZSA-N 1 0 375.778 2.175 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896227 653453001 /nfs/dbraw/zinc/45/30/01/653453001.db2.gz XZQGJMSXULZIBS-VXGBXAGGSA-N 1 0 375.778 2.397 20 30 GEEDRO N#Cc1ccc(C2([NH2+]CCn3cnc(Br)n3)CCOCC2)cc1 ZINC000859883145 653610932 /nfs/dbraw/zinc/61/09/32/653610932.db2.gz NARYFVMACHMUFF-UHFFFAOYSA-N 1 0 376.258 2.208 20 30 GEEDRO C#CCNC(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000815125055 653653168 /nfs/dbraw/zinc/65/31/68/653653168.db2.gz SEIFFQYKAPETJS-UHFFFAOYSA-N 1 0 383.261 2.019 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000862851024 653696543 /nfs/dbraw/zinc/69/65/43/653696543.db2.gz DTMYZQATVIFOJQ-SFHVURJKSA-N 1 0 395.297 2.084 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000840952163 653703485 /nfs/dbraw/zinc/70/34/85/653703485.db2.gz TVOIOYJFQMIHDP-UHFFFAOYSA-N 1 0 396.310 2.087 20 30 GEEDRO C#CCC1(O)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000880483776 653706666 /nfs/dbraw/zinc/70/66/66/653706666.db2.gz KMAPKKBMUSIILE-HNNXBMFYSA-N 1 0 386.261 2.178 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000818593251 653734167 /nfs/dbraw/zinc/73/41/67/653734167.db2.gz RQBYICOSQKQRPX-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000818615564 653734850 /nfs/dbraw/zinc/73/48/50/653734850.db2.gz QLXBZZCVEPQWHK-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)nc1 ZINC000818952095 653739183 /nfs/dbraw/zinc/73/91/83/653739183.db2.gz DJPZPQLBTRDADF-HNNXBMFYSA-N 1 0 391.269 2.157 20 30 GEEDRO C[NH+]1CCN(c2ccc(CNc3ncc(C#N)cc3Br)cn2)CC1 ZINC000881786453 653739372 /nfs/dbraw/zinc/73/93/72/653739372.db2.gz VVPDBFYRMSJGBA-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1 ZINC000820612484 653778235 /nfs/dbraw/zinc/77/82/35/653778235.db2.gz WSETXLZTOIQZAZ-IAGOWNOFSA-N 1 0 394.313 2.269 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000820612235 653778282 /nfs/dbraw/zinc/77/82/82/653778282.db2.gz SNMYIGIVNNBVNK-IAGOWNOFSA-N 1 0 394.313 2.269 20 30 GEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000843098314 653779337 /nfs/dbraw/zinc/77/93/37/653779337.db2.gz VVNADWZUKKDXCY-NVXWUHKLSA-N 1 0 391.265 2.384 20 30 GEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883084472 653825535 /nfs/dbraw/zinc/82/55/35/653825535.db2.gz SCLHFNXFCCCPJC-GFCCVEGCSA-N 1 0 396.289 2.290 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883093697 653826397 /nfs/dbraw/zinc/82/63/97/653826397.db2.gz CYZRYDJXPPPGML-UHFFFAOYSA-N 1 0 379.262 2.415 20 30 GEEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1[NH+](C)C ZINC000883099203 653826680 /nfs/dbraw/zinc/82/66/80/653826680.db2.gz MOYPVAPHTFFWTH-VXGBXAGGSA-N 1 0 384.303 2.225 20 30 GEEDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(Br)c(C#N)n1)CCO2 ZINC000883114730 653828577 /nfs/dbraw/zinc/82/85/77/653828577.db2.gz DMRCBPZIAVOSDS-UHFFFAOYSA-N 1 0 394.273 2.044 20 30 GEEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366278 653837319 /nfs/dbraw/zinc/83/73/19/653837319.db2.gz QCLAKLDWTHMYHU-QMMMGPOBSA-N 1 0 385.255 2.318 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1cccc(Br)c1 ZINC000884155782 653866434 /nfs/dbraw/zinc/86/64/34/653866434.db2.gz KWIHOAVGYHVZIE-CZJPOVKDSA-N 1 0 392.297 2.472 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000884458304 653877459 /nfs/dbraw/zinc/87/74/59/653877459.db2.gz BDKSBLFAFBRKNC-VUZCBUIWSA-N 1 0 386.293 2.343 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000824583967 653902099 /nfs/dbraw/zinc/90/20/99/653902099.db2.gz SXPTYIUMLJIQSG-QGZVFWFLSA-N 1 0 381.314 2.398 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885289713 653923268 /nfs/dbraw/zinc/92/32/68/653923268.db2.gz AIFBFXUQRDCBJN-LLVKDONJSA-N 1 0 391.871 2.277 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000826012513 653945127 /nfs/dbraw/zinc/94/51/27/653945127.db2.gz IJIMLWPTXZLEPJ-UHFFFAOYSA-N 1 0 390.281 2.303 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCCc2nnnn2C)cc1OC ZINC000898041824 653950967 /nfs/dbraw/zinc/95/09/67/653950967.db2.gz CDQITYWFXGPVAJ-UHFFFAOYSA-N 1 0 396.289 2.268 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000885942612 653964377 /nfs/dbraw/zinc/96/43/77/653964377.db2.gz QBPQJKDPTIXGFF-OAHLLOKOSA-N 1 0 379.302 2.411 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000867808746 653990302 /nfs/dbraw/zinc/99/03/02/653990302.db2.gz ONFJUAIISQEQNK-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@H]21 ZINC000867808657 653990420 /nfs/dbraw/zinc/99/04/20/653990420.db2.gz NWOPSDBATIRELK-BXUZGUMPSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)c2nccn2c1)C1CC[NH+](C)CC1 ZINC000886572560 653992159 /nfs/dbraw/zinc/99/21/59/653992159.db2.gz QNKHBLAGYLBTNX-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C#CCN(C(=O)c1cnn2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC000886571038 653992252 /nfs/dbraw/zinc/99/22/52/653992252.db2.gz GOFUOXYOURJEJF-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C#CCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000886589399 653993047 /nfs/dbraw/zinc/99/30/47/653993047.db2.gz UHIMOAYSRAERCA-UHFFFAOYSA-N 1 0 382.291 2.279 20 30 GEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662706 653994276 /nfs/dbraw/zinc/99/42/76/653994276.db2.gz KGVQRULRMWPJJI-GOEBONIOSA-N 1 0 397.338 2.355 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000827643524 654001682 /nfs/dbraw/zinc/00/16/82/654001682.db2.gz MPYYHSWQEKCWAZ-UHFFFAOYSA-N 1 0 393.734 2.477 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C(=C)CC[NH+](C)C)n1 ZINC000900514165 654068180 /nfs/dbraw/zinc/06/81/80/654068180.db2.gz HSQXKVURYNLSFN-UHFFFAOYSA-N 1 0 378.527 2.247 20 30 GEEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000888409910 654082122 /nfs/dbraw/zinc/08/21/22/654082122.db2.gz URXRYVMBVUYIMQ-UHFFFAOYSA-N 1 0 382.921 2.159 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000830163480 654102832 /nfs/dbraw/zinc/10/28/32/654102832.db2.gz YTKRLKLDALSTKR-QGZVFWFLSA-N 1 0 383.261 2.010 20 30 GEEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000852098092 654218141 /nfs/dbraw/zinc/21/81/41/654218141.db2.gz FJZPSLYCEBXEGV-KRWDZBQOSA-N 1 0 385.917 2.310 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903204141 654226197 /nfs/dbraw/zinc/22/61/97/654226197.db2.gz KGJAMMLVTVINFS-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903204730 654226626 /nfs/dbraw/zinc/22/66/26/654226626.db2.gz VMWKISAXZUEVOX-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000903487940 654240757 /nfs/dbraw/zinc/24/07/57/654240757.db2.gz OCWCNMHQGBKVAS-LRDDRELGSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000903495970 654241566 /nfs/dbraw/zinc/24/15/66/654241566.db2.gz QFXFUXRCRKYJDE-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)ccc1Br ZINC000903507666 654242878 /nfs/dbraw/zinc/24/28/78/654242878.db2.gz IEZIQOAABUVECD-UHFFFAOYSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000903515993 654245640 /nfs/dbraw/zinc/24/56/40/654245640.db2.gz FUQRFVXLWQSBEN-LMKPVCQUSA-N 1 0 384.299 2.130 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903530782 654250744 /nfs/dbraw/zinc/25/07/44/654250744.db2.gz COZLHIKLZKNBSL-NHYWBVRUSA-N 1 0 384.299 2.213 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852865408 654264345 /nfs/dbraw/zinc/26/43/45/654264345.db2.gz BRABCSZDZWQTIV-INIZCTEOSA-N 1 0 376.298 2.147 20 30 GEEDRO COC(=O)c1sc2c(c1Br)CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC000852923502 654268758 /nfs/dbraw/zinc/26/87/58/654268758.db2.gz FSNDLAORWZPULU-UHFFFAOYSA-N 1 0 397.294 2.142 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(Br)cnc2C#N)CC1 ZINC000853304367 654291719 /nfs/dbraw/zinc/29/17/19/654291719.db2.gz KQWIGMRJXHLCRD-UHFFFAOYSA-N 1 0 380.290 2.070 20 30 GEEDRO N#Cc1ncc(Br)cc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000853646209 654312864 /nfs/dbraw/zinc/31/28/64/654312864.db2.gz QMBCXKKZUPPGCD-UHFFFAOYSA-N 1 0 380.290 2.120 20 30 GEEDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(C#N)ccc2Br)C1=O ZINC000921814373 654326343 /nfs/dbraw/zinc/32/63/43/654326343.db2.gz TWYREJXPDGIBCD-CXAGYDPISA-N 1 0 391.269 2.131 20 30 GEEDRO C[C@](O)(C[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000905083081 654329959 /nfs/dbraw/zinc/32/99/59/654329959.db2.gz PKBNQZWREFDSJT-JTQLQIEISA-N 1 0 386.283 2.468 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495739 654330382 /nfs/dbraw/zinc/33/03/82/654330382.db2.gz YSOQMGVRNVIISL-UKRRQHHQSA-N 1 0 397.260 2.232 20 30 GEEDRO CCCOc1c(Br)cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1OC ZINC000834506748 654330857 /nfs/dbraw/zinc/33/08/57/654330857.db2.gz VOHRZIQWRROUFX-AAEUAGOBSA-N 1 0 382.258 2.088 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000922023313 654356113 /nfs/dbraw/zinc/35/61/13/654356113.db2.gz GBFCEQBPBYCKDQ-UHFFFAOYSA-N 1 0 382.354 2.100 20 30 GEEDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922124694 654370305 /nfs/dbraw/zinc/37/03/05/654370305.db2.gz YGUSBXIEQCSRIY-AWEZNQCLSA-N 1 0 386.315 2.224 20 30 GEEDRO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3cc(C#N)ccc3Br)C2)n[nH]1 ZINC000922270452 654380376 /nfs/dbraw/zinc/38/03/76/654380376.db2.gz YGZJDKNMJANPOV-JGGQBBKZSA-N 1 0 390.285 2.392 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000923263677 654440168 /nfs/dbraw/zinc/44/01/68/654440168.db2.gz AMCSWJXDUUAZDZ-UONOGXRCSA-N 1 0 378.270 2.395 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000906845143 654478753 /nfs/dbraw/zinc/47/87/53/654478753.db2.gz HCQILFGGVXJURZ-QWHCGFSZSA-N 1 0 384.299 2.226 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907005658 654498615 /nfs/dbraw/zinc/49/86/15/654498615.db2.gz SNYHWHPSXGLZND-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907052878 654504202 /nfs/dbraw/zinc/50/42/02/654504202.db2.gz HYRQBWSQQKUWMN-WBMJQRKESA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907155175 654515898 /nfs/dbraw/zinc/51/58/98/654515898.db2.gz WZCXVLYPVXBAHZ-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907318800 654531368 /nfs/dbraw/zinc/53/13/68/654531368.db2.gz NMWGTILLMRMUEL-XHDPSFHLSA-N 1 0 384.299 2.035 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926144313 654560620 /nfs/dbraw/zinc/56/06/20/654560620.db2.gz ZBYBOEPLJNVOPF-MRXNPFEDSA-N 1 0 384.274 2.331 20 30 GEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907856569 654583810 /nfs/dbraw/zinc/58/38/10/654583810.db2.gz BFAVDAQUHWHKBY-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927888361 654619835 /nfs/dbraw/zinc/61/98/35/654619835.db2.gz IZAOYZJMDSRSMU-LBPRGKRZSA-N 1 0 396.285 2.150 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000927928481 654621990 /nfs/dbraw/zinc/62/19/90/654621990.db2.gz IJMMSKPSWBDPRB-WCQYABFASA-N 1 0 396.285 2.196 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000912214327 654746392 /nfs/dbraw/zinc/74/63/92/654746392.db2.gz JTBRFRSYGKXQMA-MWLCHTKSSA-N 1 0 378.527 2.369 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871603 654772240 /nfs/dbraw/zinc/77/22/40/654772240.db2.gz WLLBRIXLVZUJDV-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO C[NH+](C)C1(CNC(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932551385 654781482 /nfs/dbraw/zinc/78/14/82/654781482.db2.gz HNHLPHLOECFILD-UHFFFAOYSA-N 1 0 384.221 2.379 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3[nH]c(C#N)cc3n1)CCC2 ZINC001164812309 720234561 /nfs/dbraw/zinc/23/45/61/720234561.db2.gz DVIDJIGZTGLZBY-UHFFFAOYSA-N 1 0 391.479 2.242 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001164827054 720323174 /nfs/dbraw/zinc/32/31/74/720323174.db2.gz GMFIISYPUBBNNY-RTBURBONSA-N 1 0 392.507 2.346 20 30 GEEDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164752801 720814650 /nfs/dbraw/zinc/81/46/50/720814650.db2.gz ZYEXFPHTKYIASH-QWFCFKBJSA-N 1 0 377.496 2.233 20 30 GEEDRO N#Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1F ZINC001164745552 720828493 /nfs/dbraw/zinc/82/84/93/720828493.db2.gz WRJKKEFBEHKBEZ-OKZBNKHCSA-N 1 0 381.459 2.063 20 30 GEEDRO N#CCc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741936 720838796 /nfs/dbraw/zinc/83/87/96/720838796.db2.gz GDEVNKNSTCWLNC-VAMGGRTRSA-N 1 0 377.496 2.119 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@H]2C1 ZINC001164864320 720886048 /nfs/dbraw/zinc/88/60/48/720886048.db2.gz VKPLCKHMRKAVQR-BLLLJJGKSA-N 1 0 385.295 2.434 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887690 721404111 /nfs/dbraw/zinc/40/41/11/721404111.db2.gz MJQDKWNNCWWJQL-AZUAARDMSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889536 721430866 /nfs/dbraw/zinc/43/08/66/721430866.db2.gz BKKSSIXXJPXVLV-AVRDEDQJSA-N 1 0 394.523 2.200 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890746 721434798 /nfs/dbraw/zinc/43/47/98/721434798.db2.gz DXOABBJFUNCWJL-OFNKIYASSA-N 1 0 395.551 2.207 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164788200 721473438 /nfs/dbraw/zinc/47/34/38/721473438.db2.gz IPFSIBDYMXKEPY-HXUWFJFHSA-N 1 0 399.539 2.391 20 30 GEEDRO N#Cc1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164900017 721509205 /nfs/dbraw/zinc/50/92/05/721509205.db2.gz NCHUYEATGINXPZ-DOTOQJQBSA-N 1 0 378.411 2.311 20 30 GEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902822 721528238 /nfs/dbraw/zinc/52/82/38/721528238.db2.gz BHWYGVBRBHNQQX-WMZOPIPTSA-N 1 0 383.383 2.342 20 30 GEEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C=NO)c1 ZINC001164809833 721570656 /nfs/dbraw/zinc/57/06/56/721570656.db2.gz XKNUMNUERABPRZ-AABGKKOBSA-N 1 0 381.480 2.461 20 30 GEEDRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164985875 722100260 /nfs/dbraw/zinc/10/02/60/722100260.db2.gz XHOXARFWCTZOIW-YLJYHZDGSA-N 1 0 379.464 2.084 20 30 GEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(O)c(Br)c2)CC1 ZINC000153464853 531600201 /nfs/dbraw/zinc/60/02/01/531600201.db2.gz DWHLGZUVJRTTED-UHFFFAOYSA-N 1 0 399.289 2.180 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155272548 531670386 /nfs/dbraw/zinc/67/03/86/531670386.db2.gz GSGBOKCKVWDLCP-ZIAGYGMSSA-N 1 0 386.315 2.472 20 30 GEEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067964070 531892348 /nfs/dbraw/zinc/89/23/48/531892348.db2.gz PQYUBAURHRBAFS-OAHLLOKOSA-N 1 0 383.901 2.439 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000176090733 532125931 /nfs/dbraw/zinc/12/59/31/532125931.db2.gz FBDTVBIDHQWAHM-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125641877 532139790 /nfs/dbraw/zinc/13/97/90/532139790.db2.gz HZXWXMGBNRPNHN-DOTOQJQBSA-N 1 0 380.286 2.223 20 30 GEEDRO Cc1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000176835477 532151238 /nfs/dbraw/zinc/15/12/38/532151238.db2.gz SCCVUEWQPCWKSI-UHFFFAOYSA-N 1 0 378.523 2.384 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@](C)(O)C[NH+](C)C)cc1OC ZINC000131358128 532196864 /nfs/dbraw/zinc/19/68/64/532196864.db2.gz TVTPEOGATYPIEA-KRWDZBQOSA-N 1 0 387.318 2.425 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2Br)c1C#N ZINC000134094268 532250210 /nfs/dbraw/zinc/25/02/10/532250210.db2.gz DLBNCFXXHFYHHI-UHFFFAOYSA-N 1 0 392.257 2.213 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000425213331 532375624 /nfs/dbraw/zinc/37/56/24/532375624.db2.gz GTKSBKBRZKTHFE-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191809285 532368685 /nfs/dbraw/zinc/36/86/85/532368685.db2.gz DWABMPMAMUGAQR-QGZVFWFLSA-N 1 0 391.313 2.059 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000590666689 532380865 /nfs/dbraw/zinc/38/08/65/532380865.db2.gz MYTHSVZFMCAOFZ-ZDUSSCGKSA-N 1 0 378.270 2.300 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000278893771 532387301 /nfs/dbraw/zinc/38/73/01/532387301.db2.gz UHRPHOPHWHGJTI-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886641 532387356 /nfs/dbraw/zinc/38/73/56/532387356.db2.gz SXSNQPUWMAGMBJ-NHYWBVRUSA-N 1 0 386.315 2.281 20 30 GEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000192179803 532392699 /nfs/dbraw/zinc/39/26/99/532392699.db2.gz DOSKWOSYWGJFIV-CVEARBPZSA-N 1 0 378.567 2.284 20 30 GEEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294982361 532394241 /nfs/dbraw/zinc/39/42/41/532394241.db2.gz SIZAQIMOLULWLT-UHFFFAOYSA-N 1 0 393.329 2.468 20 30 GEEDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295157490 532410583 /nfs/dbraw/zinc/41/05/83/532410583.db2.gz QGLCCVNFVBRRMH-UHFFFAOYSA-N 1 0 379.302 2.077 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000295204011 532417343 /nfs/dbraw/zinc/41/73/43/532417343.db2.gz VSNUULPMYJVKDG-DLBZAZTESA-N 1 0 383.514 2.039 20 30 GEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)c(Br)c1)CC[NH2+]CC2 ZINC000591667417 532418410 /nfs/dbraw/zinc/41/84/10/532418410.db2.gz PSUDLEYJUPREKO-GFCCVEGCSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1csc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000518015457 532433550 /nfs/dbraw/zinc/43/35/50/532433550.db2.gz XJOUUTQPSKIYAB-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO CN(CC(=O)N(CCC#N)CCC#N)C[C@H](O)c1ccccc1Br ZINC000295377694 532440004 /nfs/dbraw/zinc/44/00/04/532440004.db2.gz QJEXGROOZFLZPN-INIZCTEOSA-N 1 0 393.285 2.070 20 30 GEEDRO C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[N@H+](C)C1CC1 ZINC000592756469 532461149 /nfs/dbraw/zinc/46/11/49/532461149.db2.gz AOOWENSZGIOQRF-GFCCVEGCSA-N 1 0 391.313 2.356 20 30 GEEDRO C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C[NH+](C)C ZINC000592800619 532466280 /nfs/dbraw/zinc/46/62/80/532466280.db2.gz CIELPPGMHXMFLN-LBPRGKRZSA-N 1 0 379.302 2.071 20 30 GEEDRO Cc1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1I ZINC000221990280 532484771 /nfs/dbraw/zinc/48/47/71/532484771.db2.gz MGMUMZUXSHYZRF-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1[NH+](C)C ZINC000593560335 532488621 /nfs/dbraw/zinc/48/86/21/532488621.db2.gz DPUFUYYAIJLSPD-GJZGRUSLSA-N 1 0 382.327 2.367 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC[N@H+](CC)C1 ZINC000595129992 532544573 /nfs/dbraw/zinc/54/45/73/532544573.db2.gz HRJQHBRMIGSYOP-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO C[NH+]1CCN(c2ccc(CNc3ncc(Br)cc3C#N)cn2)CC1 ZINC000296453095 532521964 /nfs/dbraw/zinc/52/19/64/532521964.db2.gz IURRBMGIYOAYEZ-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000594799215 532531455 /nfs/dbraw/zinc/53/14/55/532531455.db2.gz JMPRVXNVUOJINN-LLVKDONJSA-N 1 0 386.315 2.472 20 30 GEEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1Br ZINC000297146310 532569805 /nfs/dbraw/zinc/56/98/05/532569805.db2.gz UFFGEBDGRDNZNG-AWEZNQCLSA-N 1 0 381.274 2.289 20 30 GEEDRO CC1CCN(C(NCCc2cccs2)=[NH+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262334402 532590741 /nfs/dbraw/zinc/59/07/41/532590741.db2.gz BOHSCIQWMHKZNK-MRXNPFEDSA-N 1 0 383.583 2.403 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262420896 532593439 /nfs/dbraw/zinc/59/34/39/532593439.db2.gz QXIKALVRJSOZGK-JKSUJKDBSA-N 1 0 381.567 2.111 20 30 GEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccc(Cl)cc1 ZINC000261650894 532576642 /nfs/dbraw/zinc/57/66/42/532576642.db2.gz MNOLPLOUMPJPJU-UHFFFAOYSA-N 1 0 386.949 2.019 20 30 GEEDRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc1C ZINC000435228458 532611089 /nfs/dbraw/zinc/61/10/89/532611089.db2.gz WBIMJOHIRBHTCB-UHFFFAOYSA-N 1 0 378.523 2.384 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572710 532665938 /nfs/dbraw/zinc/66/59/38/532665938.db2.gz GLBYSNAEACACBL-GOSISDBHSA-N 1 0 394.313 2.021 20 30 GEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000298940717 532686171 /nfs/dbraw/zinc/68/61/71/532686171.db2.gz CTJSVXTXIMILDS-GFCCVEGCSA-N 1 0 395.301 2.185 20 30 GEEDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1C(F)(F)F ZINC000600735942 532679125 /nfs/dbraw/zinc/67/91/25/532679125.db2.gz WOINZKYXADFMCH-GFCCVEGCSA-N 1 0 376.400 2.253 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCCn1cc(Br)cn1 ZINC000600735148 532680025 /nfs/dbraw/zinc/68/00/25/532680025.db2.gz KEKGVDCBDYWVIE-INIZCTEOSA-N 1 0 393.285 2.327 20 30 GEEDRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1Br ZINC000600750407 532681647 /nfs/dbraw/zinc/68/16/47/532681647.db2.gz VXYYNRJOSGZHGH-CABCVRRESA-N 1 0 397.313 2.253 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000549636672 532796314 /nfs/dbraw/zinc/79/63/14/532796314.db2.gz RQVAUJOAFRMOBH-PBHICJAKSA-N 1 0 384.571 2.327 20 30 GEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCS(=O)(=O)C1 ZINC000329576813 532808782 /nfs/dbraw/zinc/80/87/82/532808782.db2.gz OJYAALYBYVPLSO-GFCCVEGCSA-N 1 0 381.523 2.453 20 30 GEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 ZINC000287596758 532801801 /nfs/dbraw/zinc/80/18/01/532801801.db2.gz XGEDYWNXOJDPPE-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO N#CCC[C@H](C#N)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000551935427 532802435 /nfs/dbraw/zinc/80/24/35/532802435.db2.gz YDXXFADQQPEJJT-CYBMUJFWSA-N 1 0 399.314 2.151 20 30 GEEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330675367 532824884 /nfs/dbraw/zinc/82/48/84/532824884.db2.gz SCJADWHOVLZRLU-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H](NC(=O)Nc1ccncc1I)C(C)(C)C[NH+](C)C ZINC000330805082 532827685 /nfs/dbraw/zinc/82/76/85/532827685.db2.gz GSMWJNSRUUTPOF-JTQLQIEISA-N 1 0 390.269 2.410 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CNCCO2)cc1OCC ZINC000415097647 532837692 /nfs/dbraw/zinc/83/76/92/532837692.db2.gz UBMLWDQZNUDOFA-CQSZACIVSA-N 1 0 385.302 2.491 20 30 GEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000288982222 532844078 /nfs/dbraw/zinc/84/40/78/532844078.db2.gz RRAMOXYYEZOQJN-UHFFFAOYSA-N 1 0 390.278 2.175 20 30 GEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000415483743 532846999 /nfs/dbraw/zinc/84/69/99/532846999.db2.gz HAYQMAWAIQZTGO-AWEZNQCLSA-N 1 0 381.274 2.091 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000332085162 532848415 /nfs/dbraw/zinc/84/84/15/532848415.db2.gz QFUMHZREYMZSLR-GJZGRUSLSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415805532 532858414 /nfs/dbraw/zinc/85/84/14/532858414.db2.gz NRPOWRYQSYYXDK-ZDUSSCGKSA-N 1 0 383.290 2.039 20 30 GEEDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416366606 532871987 /nfs/dbraw/zinc/87/19/87/532871987.db2.gz DBXKEXJPQXVSMI-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000416366034 532871857 /nfs/dbraw/zinc/87/18/57/532871857.db2.gz BPPGTFMGTISFBT-UONOGXRCSA-N 1 0 384.299 2.226 20 30 GEEDRO NC(=[NH+]OCc1cc(Br)no1)c1ccc(N2CCC(O)CC2)cc1 ZINC000292069283 532912383 /nfs/dbraw/zinc/91/23/83/532912383.db2.gz KWURQKDBUPWTPX-UHFFFAOYSA-N 1 0 395.257 2.235 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1 ZINC000366472200 532917795 /nfs/dbraw/zinc/91/77/95/532917795.db2.gz KVQODYJLWXPJPE-XJKSGUPXSA-N 1 0 398.326 2.473 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293326748 532925251 /nfs/dbraw/zinc/92/52/51/532925251.db2.gz IBQQZPKSLYHMPE-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000293294609 532924859 /nfs/dbraw/zinc/92/48/59/532924859.db2.gz HBUITSZEEQWJCD-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000367887694 532928598 /nfs/dbraw/zinc/92/85/98/532928598.db2.gz TWOPQIZXMHKUSQ-UONOGXRCSA-N 1 0 391.269 2.002 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293565965 532928845 /nfs/dbraw/zinc/92/88/45/532928845.db2.gz MNJYROSAMYTGAS-ZDUSSCGKSA-N 1 0 397.288 2.407 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000293969444 532934057 /nfs/dbraw/zinc/93/40/57/532934057.db2.gz LXRRWUZKLNZUES-QHCPKHFHSA-N 1 0 399.354 2.408 20 30 GEEDRO COC(=O)[C@]12C[N@H+](Cc3cc(C#N)ccc3Br)C[C@H]1COCC2 ZINC000369707927 532940495 /nfs/dbraw/zinc/94/04/95/532940495.db2.gz XYROJJMUAIXGNZ-WMLDXEAASA-N 1 0 379.254 2.332 20 30 GEEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328706794 570647280 /nfs/dbraw/zinc/64/72/80/570647280.db2.gz ZGAZBUXLTGCLSN-IYBDPMFKSA-N 1 0 394.903 2.127 20 30 GEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC000820759962 607253494 /nfs/dbraw/zinc/25/34/94/607253494.db2.gz OQXHXZSZZKGPTG-HNNXBMFYSA-N 1 0 376.468 2.249 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000735421394 598271921 /nfs/dbraw/zinc/27/19/21/598271921.db2.gz YENMCGNTJLXKNK-UHFFFAOYSA-N 1 0 383.500 2.439 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cccc(-c4nn[nH]n4)c3)cs2)CC1 ZINC000823849939 607770272 /nfs/dbraw/zinc/77/02/72/607770272.db2.gz DHPPWHPCHSPBRG-UHFFFAOYSA-N 1 0 393.476 2.274 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743291 606602371 /nfs/dbraw/zinc/60/23/71/606602371.db2.gz GMPXNUZNZJWTCB-QZTJIDSGSA-N 1 0 383.500 2.437 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743295 606602382 /nfs/dbraw/zinc/60/23/82/606602382.db2.gz GMPXNUZNZJWTCB-ZWKOTPCHSA-N 1 0 383.500 2.437 20 30 GEEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822832773 606896527 /nfs/dbraw/zinc/89/65/27/606896527.db2.gz GGEPFUHRHMGTRG-FQEVSTJZSA-N 1 0 390.447 2.315 20 30 GEEDRO CCN1CC[NH+](CCCCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448973479 650027836 /nfs/dbraw/zinc/02/78/36/650027836.db2.gz BMJOVUUITDDCIX-UHFFFAOYSA-N 1 0 393.329 2.468 20 30 GEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000449203902 650034356 /nfs/dbraw/zinc/03/43/56/650034356.db2.gz IPHJVHYKHYMBFX-UHFFFAOYSA-N 1 0 378.270 2.443 20 30 GEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449206532 650034365 /nfs/dbraw/zinc/03/43/65/650034365.db2.gz PZJNHTSQSSWIEC-OLZOCXBDSA-N 1 0 385.302 2.237 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000449804831 650051222 /nfs/dbraw/zinc/05/12/22/650051222.db2.gz TWVCKXGWIHQJDA-CQSZACIVSA-N 1 0 378.270 2.396 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[NH+](C3CCC3)CC2)cc1Br ZINC000449861929 650054300 /nfs/dbraw/zinc/05/43/00/650054300.db2.gz UEQDKGQJESYMKF-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1C[NH+]2CCC1CC2 ZINC000449863380 650054393 /nfs/dbraw/zinc/05/43/93/650054393.db2.gz FYURZARAUQNCAP-HNNXBMFYSA-N 1 0 378.270 2.252 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000450481539 650065741 /nfs/dbraw/zinc/06/57/41/650065741.db2.gz BAZVDTGZCGLXSK-MLGOLLRUSA-N 1 0 378.270 2.252 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000450481540 650065806 /nfs/dbraw/zinc/06/58/06/650065806.db2.gz BAZVDTGZCGLXSK-WBMJQRKESA-N 1 0 378.270 2.252 20 30 GEEDRO CC1=CC[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450623278 650068378 /nfs/dbraw/zinc/06/83/78/650068378.db2.gz MCHKTNILLZKVFY-UHFFFAOYSA-N 1 0 378.270 2.468 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451476224 650119132 /nfs/dbraw/zinc/11/91/32/650119132.db2.gz UEXNJMMCDYDCFA-OAHLLOKOSA-N 1 0 384.571 2.475 20 30 GEEDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452095299 650173032 /nfs/dbraw/zinc/17/30/32/650173032.db2.gz YFNSDQICYOXSMY-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453336116 650208203 /nfs/dbraw/zinc/20/82/03/650208203.db2.gz ARXSTUBPSMVWCZ-JQWIXIFHSA-N 1 0 377.304 2.074 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047389 650386619 /nfs/dbraw/zinc/38/66/19/650386619.db2.gz CXSZGHRCUKMYIU-INIZCTEOSA-N 1 0 379.302 2.110 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+](CC)CCO ZINC000459654825 650429807 /nfs/dbraw/zinc/42/98/07/650429807.db2.gz CRMQGNXLSVPTHB-UHFFFAOYSA-N 1 0 386.290 2.450 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000517025786 650601897 /nfs/dbraw/zinc/60/18/97/650601897.db2.gz KJOAKQSJZJSBPY-UHFFFAOYSA-N 1 0 376.507 2.047 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000057175213 642807797 /nfs/dbraw/zinc/80/77/97/642807797.db2.gz JBQUEOIURILWGD-UHFFFAOYSA-N 1 0 381.307 2.382 20 30 GEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000123976672 643679445 /nfs/dbraw/zinc/67/94/45/643679445.db2.gz PJIYWXPDJJHDIH-CYBMUJFWSA-N 1 0 382.496 2.042 20 30 GEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000130782774 643850446 /nfs/dbraw/zinc/85/04/46/643850446.db2.gz RJOSCRPECAXNBV-OAHLLOKOSA-N 1 0 381.523 2.433 20 30 GEEDRO CN(CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1 ZINC000151408242 643943536 /nfs/dbraw/zinc/94/35/36/643943536.db2.gz NREZIVWIOQODCI-UHFFFAOYSA-N 1 0 378.523 2.284 20 30 GEEDRO CCOc1cc(Cl)ccc1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158612128 644151587 /nfs/dbraw/zinc/15/15/87/644151587.db2.gz LJQVRNNYRBHVEI-UHFFFAOYSA-N 1 0 387.933 2.323 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000171566058 644327076 /nfs/dbraw/zinc/32/70/76/644327076.db2.gz FISFPJZBAJYZTB-UHFFFAOYSA-N 1 0 386.315 2.007 20 30 GEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178576350 644434606 /nfs/dbraw/zinc/43/46/06/644434606.db2.gz VQWMULNOFVAYQZ-ZDUSSCGKSA-N 1 0 382.521 2.370 20 30 GEEDRO COc1ccc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000255363907 645580077 /nfs/dbraw/zinc/58/00/77/645580077.db2.gz VEBSDKWALWTCHQ-FOCLMDBBSA-N 1 0 380.242 2.074 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCOC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261907794 645610991 /nfs/dbraw/zinc/61/09/91/645610991.db2.gz XPRMREYGQOQTGY-UKRRQHHQSA-N 1 0 381.318 2.229 20 30 GEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc2ncsc2c1 ZINC000262331999 645627862 /nfs/dbraw/zinc/62/78/62/645627862.db2.gz BDWMZJYMSWFGPU-STQMWFEESA-N 1 0 380.539 2.347 20 30 GEEDRO Cc1nc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)sc1C ZINC000262414006 645629626 /nfs/dbraw/zinc/62/96/26/645629626.db2.gz PTCODVGWMHTIBV-AWEZNQCLSA-N 1 0 384.571 2.172 20 30 GEEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(I)cc1Cl ZINC000262421921 645629690 /nfs/dbraw/zinc/62/96/90/645629690.db2.gz BJRFVKOZIINJKE-QMMMGPOBSA-N 1 0 381.645 2.384 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@@H](COC)C1 ZINC000262474129 645631848 /nfs/dbraw/zinc/63/18/48/645631848.db2.gz PQOKAPXOTHCNSV-GFCCVEGCSA-N 1 0 398.301 2.264 20 30 GEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262622229 645640502 /nfs/dbraw/zinc/64/05/02/645640502.db2.gz CUOBIHFQCUBCCB-UHFFFAOYSA-N 1 0 384.571 2.269 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000279404310 646599405 /nfs/dbraw/zinc/59/94/05/646599405.db2.gz BLHBNRDBMCLADK-UHFFFAOYSA-N 1 0 384.322 2.375 20 30 GEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)s1 ZINC000280112030 646651617 /nfs/dbraw/zinc/65/16/17/646651617.db2.gz YUTMOOBJJZWMLG-UHFFFAOYSA-N 1 0 383.495 2.486 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287759198 646895259 /nfs/dbraw/zinc/89/52/59/646895259.db2.gz UFCNIJKKANXVQJ-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+]1CCCC1 ZINC000293045444 647212578 /nfs/dbraw/zinc/21/25/78/647212578.db2.gz KFRJNZWYQRAGOX-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000296664362 647254380 /nfs/dbraw/zinc/25/43/80/647254380.db2.gz YTBKSVNUPWEGSC-OAHLLOKOSA-N 1 0 380.286 2.287 20 30 GEEDRO Cn1c(Sc2ncc(Br)cc2C#N)nnc1[C@@H]1CCC[NH2+]C1 ZINC000296987874 647258409 /nfs/dbraw/zinc/25/84/09/647258409.db2.gz FCBYTKYWVKNKFK-SECBINFHSA-N 1 0 379.287 2.462 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccc(Br)cc1 ZINC000303869262 647278414 /nfs/dbraw/zinc/27/84/14/647278414.db2.gz DTXQMJDGMOZUDD-UHFFFAOYSA-N 1 0 397.361 2.224 20 30 GEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCSc2nccs2)CC1 ZINC000304754667 647279353 /nfs/dbraw/zinc/27/93/53/647279353.db2.gz MAUMPLBIMMNZDM-UHFFFAOYSA-N 1 0 385.559 2.493 20 30 GEEDRO CN(C)c1nc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cs1 ZINC000304514940 647279396 /nfs/dbraw/zinc/27/93/96/647279396.db2.gz VEISQDVKLAYMQL-UHFFFAOYSA-N 1 0 378.933 2.499 20 30 GEEDRO C[NH+](C)C[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CCO1 ZINC000329642480 647322168 /nfs/dbraw/zinc/32/21/68/647322168.db2.gz YIFVDTBAZAUMEK-HNNXBMFYSA-N 1 0 398.301 2.060 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331200735 647369547 /nfs/dbraw/zinc/36/95/47/647369547.db2.gz ALYWHYWHXFGPAE-STQMWFEESA-N 1 0 386.315 2.472 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000333230371 647466650 /nfs/dbraw/zinc/46/66/50/647466650.db2.gz UKMONJQZNWQJSB-IRXDYDNUSA-N 1 0 383.514 2.039 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000333386335 647470748 /nfs/dbraw/zinc/47/07/48/647470748.db2.gz WUNVDLIQGADZEF-CYBMUJFWSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000333632408 647477427 /nfs/dbraw/zinc/47/74/27/647477427.db2.gz GVBYZKCCFSGORC-IAGOWNOFSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367577613 647739385 /nfs/dbraw/zinc/73/93/85/647739385.db2.gz CZCGACBOWJNVPX-CVEARBPZSA-N 1 0 393.285 2.384 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000411239262 648028673 /nfs/dbraw/zinc/02/86/73/648028673.db2.gz FOSSUHZDVKOLCA-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416417155 648120402 /nfs/dbraw/zinc/12/04/02/648120402.db2.gz NDZAPBSDUADVRX-KBPBESRZSA-N 1 0 386.315 2.472 20 30 GEEDRO C[N@H+](CCCCNS(=O)(=O)c1cccc(Br)c1C#N)C1CC1 ZINC000416510161 648153994 /nfs/dbraw/zinc/15/39/94/648153994.db2.gz XAHWJDGJTKARSS-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000416563279 648172415 /nfs/dbraw/zinc/17/24/15/648172415.db2.gz XVAWRVDHISRLIU-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419738393 648373222 /nfs/dbraw/zinc/37/32/22/648373222.db2.gz VOEWOLCZEMFTJK-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000424103843 648613813 /nfs/dbraw/zinc/61/38/13/648613813.db2.gz SYTRMNWKTGQEMM-AWEZNQCLSA-N 1 0 383.279 2.299 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000424116262 648614091 /nfs/dbraw/zinc/61/40/91/648614091.db2.gz XHYJMXAOXFKLSY-ZDUSSCGKSA-N 1 0 377.246 2.049 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000424214266 648619351 /nfs/dbraw/zinc/61/93/51/648619351.db2.gz XGPXHWCACISUCP-ZDUSSCGKSA-N 1 0 397.269 2.260 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc(Br)c1C#N ZINC000425764112 648697144 /nfs/dbraw/zinc/69/71/44/648697144.db2.gz GVDMTAIUGDLEFP-UHFFFAOYSA-N 1 0 381.274 2.072 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553879193 651192254 /nfs/dbraw/zinc/19/22/54/651192254.db2.gz UNKVSRNUGRMANK-ZDUSSCGKSA-N 1 0 380.286 2.390 20 30 GEEDRO CC1(C#N)CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000556146081 651237463 /nfs/dbraw/zinc/23/74/63/651237463.db2.gz ZHGUWHFZGCCLLX-UHFFFAOYSA-N 1 0 383.539 2.331 20 30 GEEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603309267 651479664 /nfs/dbraw/zinc/47/96/64/651479664.db2.gz CVZHMXKDZCEJSE-HNNXBMFYSA-N 1 0 378.318 2.320 20 30 GEEDRO C=CCNS(=O)(=O)c1ccccc1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000603344231 651482705 /nfs/dbraw/zinc/48/27/05/651482705.db2.gz NZLWVZNURBWSOC-IRXDYDNUSA-N 1 0 381.567 2.167 20 30 GEEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000644218295 651525896 /nfs/dbraw/zinc/52/58/96/651525896.db2.gz MXECCRZCFYOWNQ-UHFFFAOYSA-N 1 0 379.507 2.412 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccccc1I ZINC000731931203 651639002 /nfs/dbraw/zinc/63/90/02/651639002.db2.gz ZMUZRLJYJIEJOG-UHFFFAOYSA-N 1 0 390.294 2.041 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1csc(COc2ccccc2)n1 ZINC000731930204 651639046 /nfs/dbraw/zinc/63/90/46/651639046.db2.gz REFXSOVTFCSNFQ-UHFFFAOYSA-N 1 0 377.539 2.472 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000568367993 651664323 /nfs/dbraw/zinc/66/43/23/651664323.db2.gz GBBBRUSGGXSQAU-UHFFFAOYSA-N 1 0 398.301 2.457 20 30 GEEDRO N#CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000614137238 651813431 /nfs/dbraw/zinc/81/34/31/651813431.db2.gz IEGCLLYZAKMUSZ-OAHLLOKOSA-N 1 0 398.326 2.245 20 30 GEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1Cl ZINC000573317531 651946349 /nfs/dbraw/zinc/94/63/49/651946349.db2.gz MAIOZCYSTDJLNU-ZDUSSCGKSA-N 1 0 379.869 2.437 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574044798 651997517 /nfs/dbraw/zinc/99/75/17/651997517.db2.gz FHGZTBDMHLNDCE-WBVHZDCISA-N 1 0 391.313 2.158 20 30 GEEDRO C[NH+](C)CC(=O)N1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000577762140 652213644 /nfs/dbraw/zinc/21/36/44/652213644.db2.gz CWOREGPTXXMZNY-UHFFFAOYSA-N 1 0 385.693 2.184 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000748814128 652217618 /nfs/dbraw/zinc/21/76/18/652217618.db2.gz TXLFVSTWCANUFJ-UHFFFAOYSA-N 1 0 378.314 2.051 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578132155 652246641 /nfs/dbraw/zinc/24/66/41/652246641.db2.gz PSPGBZSEPSQPNO-GHMZBOCLSA-N 1 0 384.274 2.194 20 30 GEEDRO C=CCN1CC[C@H]([NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796937 652371809 /nfs/dbraw/zinc/37/18/09/652371809.db2.gz NZAKJOPFOLULEO-WMZOPIPTSA-N 1 0 379.298 2.045 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000663511531 652502211 /nfs/dbraw/zinc/50/22/11/652502211.db2.gz CMCAVBWRPIYPBY-UHFFFAOYSA-N 1 0 383.286 2.197 20 30 GEEDRO N#CC[C@@]1(O)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000592152447 652589277 /nfs/dbraw/zinc/58/92/77/652589277.db2.gz XWCYZMTZWOZQMR-OAHLLOKOSA-N 1 0 386.233 2.411 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000592387631 652592751 /nfs/dbraw/zinc/59/27/51/652592751.db2.gz ZJVOLZZTSUVHDG-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266403 652599685 /nfs/dbraw/zinc/59/96/85/652599685.db2.gz WXUCCYZMAWMCRB-CYBMUJFWSA-N 1 0 396.285 2.211 20 30 GEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccsc2C#N)c1 ZINC000593581252 652626264 /nfs/dbraw/zinc/62/62/64/652626264.db2.gz IPQUJJLKPVCZFQ-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000593733489 652633895 /nfs/dbraw/zinc/63/38/95/652633895.db2.gz VDIJCEADOZFSLF-IAOVAPTHSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000593732835 652634091 /nfs/dbraw/zinc/63/40/91/652634091.db2.gz PVFDIMBIZNZMSG-XYPHTWIQSA-N 1 0 383.901 2.261 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594437548 652649371 /nfs/dbraw/zinc/64/93/71/652649371.db2.gz MAUCGZMVJRKWBD-ZDUSSCGKSA-N 1 0 391.273 2.262 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000761817564 652658088 /nfs/dbraw/zinc/65/80/88/652658088.db2.gz RZDHVZOINGZQJY-UHFFFAOYSA-N 1 0 388.896 2.274 20 30 GEEDRO COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Br ZINC000595255960 652710755 /nfs/dbraw/zinc/71/07/55/652710755.db2.gz HHODRERUNBMWSP-KGLIPLIRSA-N 1 0 382.258 2.191 20 30 GEEDRO COC[C@H](C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411216 652724815 /nfs/dbraw/zinc/72/48/15/652724815.db2.gz ZSARVEZWDGNYNN-IRXDYDNUSA-N 1 0 382.302 2.293 20 30 GEEDRO N#Cc1cc(Br)cnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422551 652761970 /nfs/dbraw/zinc/76/19/70/652761970.db2.gz DXGLZUHUBUPXIT-KRWDZBQOSA-N 1 0 387.281 2.894 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000599357681 652863665 /nfs/dbraw/zinc/86/36/65/652863665.db2.gz WBNIZDRWOKSYOE-DLBZAZTESA-N 1 0 391.265 2.384 20 30 GEEDRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000601578042 653111771 /nfs/dbraw/zinc/11/17/71/653111771.db2.gz XJDNMPAEDMTCFM-ZDUSSCGKSA-N 1 0 393.285 2.154 20 30 GEEDRO CSCCNC(=S)NN=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000769601752 653165337 /nfs/dbraw/zinc/16/53/37/653165337.db2.gz IDWIHJMLXMVWIZ-UHFFFAOYSA-N 1 0 379.599 2.378 20 30 GEEDRO COC(=O)C1CC[NH+](CCCNc2cc(Br)cnc2C#N)CC1 ZINC000809355872 653264217 /nfs/dbraw/zinc/26/42/17/653264217.db2.gz GIECJSUYKRMXKB-UHFFFAOYSA-N 1 0 381.274 2.403 20 30 GEEDRO C#C[C@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000836349303 653345955 /nfs/dbraw/zinc/34/59/55/653345955.db2.gz LDOYJHCXUPCGFE-PBHICJAKSA-N 1 0 393.329 2.059 20 30 GEEDRO C#C[C@H](NC(=O)NCc1cnc(N(C)C)n1C)c1ccc(Br)cc1 ZINC000836352533 653346642 /nfs/dbraw/zinc/34/66/42/653346642.db2.gz XIPILQUJTLHOOH-HNNXBMFYSA-N 1 0 390.285 2.422 20 30 GEEDRO Brc1ccccc1-n1cc(C=NNCC[NH+]2CCCCC2)nn1 ZINC000811639323 653399840 /nfs/dbraw/zinc/39/98/40/653399840.db2.gz WQCIWTHDMRTDPI-UHFFFAOYSA-N 1 0 377.290 2.439 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)nc1C ZINC000876575251 653436704 /nfs/dbraw/zinc/43/67/04/653436704.db2.gz YRIYDETWXGUOQP-NXEZZACHSA-N 1 0 382.490 2.071 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000876635155 653439719 /nfs/dbraw/zinc/43/97/19/653439719.db2.gz NSUHEZVCSFXWDX-CYBMUJFWSA-N 1 0 388.693 2.155 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802667 653449194 /nfs/dbraw/zinc/44/91/94/653449194.db2.gz RMQHEFRMNUYLIX-JOYOIKCWSA-N 1 0 377.267 2.414 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000876966195 653456754 /nfs/dbraw/zinc/45/67/54/653456754.db2.gz QVZVFCSHWUFUAO-VXGBXAGGSA-N 1 0 375.650 2.249 20 30 GEEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878010849 653626344 /nfs/dbraw/zinc/62/63/44/653626344.db2.gz NINVZEIKVDNNMY-AWEZNQCLSA-N 1 0 380.242 2.491 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000815082567 653650475 /nfs/dbraw/zinc/65/04/75/653650475.db2.gz ZCEVRCWBOMKYTI-UHFFFAOYSA-N 1 0 381.885 2.130 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815082681 653650653 /nfs/dbraw/zinc/65/06/53/653650653.db2.gz DBKXFDASSIQPDP-UHFFFAOYSA-N 1 0 380.253 2.135 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000815120081 653652789 /nfs/dbraw/zinc/65/27/89/653652789.db2.gz NYZVMIAKXLQFRE-YJBOKZPZSA-N 1 0 379.298 2.334 20 30 GEEDRO C#CCNC(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000815120003 653652891 /nfs/dbraw/zinc/65/28/91/653652891.db2.gz LQRRSJKGFPWFIS-OAHLLOKOSA-N 1 0 376.806 2.247 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219125 653700895 /nfs/dbraw/zinc/70/08/95/653700895.db2.gz WOVHGOCXRBNWNK-QBIMZIAESA-N 1 0 394.313 2.397 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000840951787 653703411 /nfs/dbraw/zinc/70/34/11/653703411.db2.gz KNTXNJOVKDECCY-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194669 653710013 /nfs/dbraw/zinc/71/00/13/653710013.db2.gz OUTHQVIJKILDEU-KOLCDFICSA-N 1 0 393.270 2.201 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199693 653710417 /nfs/dbraw/zinc/71/04/17/653710417.db2.gz MWSDSZKFWXFQAN-YGRLFVJLSA-N 1 0 379.251 2.471 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787740922 653743117 /nfs/dbraw/zinc/74/31/17/653743117.db2.gz XKDOORZMLWIOHB-MRXNPFEDSA-N 1 0 394.313 2.355 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@](C)(O)C[NH+](C)C)s1 ZINC000819425362 653750503 /nfs/dbraw/zinc/75/05/03/653750503.db2.gz WPPJLDAANJBICB-HNNXBMFYSA-N 1 0 377.963 2.267 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[NH+]2CCC(O)CC2)s1 ZINC000819559107 653753030 /nfs/dbraw/zinc/75/30/30/653753030.db2.gz IQNQAPBCLOZNLT-UHFFFAOYSA-N 1 0 389.974 2.412 20 30 GEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000865582689 653768954 /nfs/dbraw/zinc/76/89/54/653768954.db2.gz GNEZRXFEPVIDKC-UHFFFAOYSA-N 1 0 375.270 2.338 20 30 GEEDRO C#CCN(C(=O)[C@@H](O)c1cnc[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825769 653776428 /nfs/dbraw/zinc/77/64/28/653776428.db2.gz GJYIIQVBOVOEAQ-HOCLYGCPSA-N 1 0 390.237 2.191 20 30 GEEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000843099550 653779324 /nfs/dbraw/zinc/77/93/24/653779324.db2.gz GIOXJZZKPMOLHI-OLZOCXBDSA-N 1 0 376.678 2.206 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194057 653803041 /nfs/dbraw/zinc/80/30/41/653803041.db2.gz VTYJDYDHHWYWFH-SMDDNHRTSA-N 1 0 391.294 2.343 20 30 GEEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H](C)O1 ZINC000883077801 653825216 /nfs/dbraw/zinc/82/52/16/653825216.db2.gz WLBZJIAXIMPWBX-VXGBXAGGSA-N 1 0 396.289 2.337 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1cccc(Br)c1 ZINC000884155783 653866311 /nfs/dbraw/zinc/86/63/11/653866311.db2.gz KWIHOAVGYHVZIE-DWBBHFSCSA-N 1 0 392.297 2.472 20 30 GEEDRO Cc1nc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)ccc1I ZINC000884291565 653871007 /nfs/dbraw/zinc/87/10/07/653871007.db2.gz BLJIAAHKERSJGH-LOIXOFCESA-N 1 0 396.232 2.073 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000884435977 653876707 /nfs/dbraw/zinc/87/67/07/653876707.db2.gz PQFDLTJNVJNTDA-NOEPWBJOSA-N 1 0 384.224 2.483 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000884435976 653876917 /nfs/dbraw/zinc/87/69/17/653876917.db2.gz PQFDLTJNVJNTDA-CSJGVYOVSA-N 1 0 384.224 2.483 20 30 GEEDRO C[NH+](C)C1(CS(=O)(=O)Oc2c(F)cc(C#N)cc2Br)CC1 ZINC000867550332 653949711 /nfs/dbraw/zinc/94/97/11/653949711.db2.gz YKVJZFDKTHWAFM-UHFFFAOYSA-N 1 0 377.235 2.263 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c(=O)c1C#N ZINC000848376186 653973361 /nfs/dbraw/zinc/97/33/61/653973361.db2.gz MUDOUXKFTXOUFT-BREBYQMCSA-N 1 0 395.301 2.431 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cc2c1OCCO2)C1CC[NH+](C)CC1 ZINC000886573569 653992133 /nfs/dbraw/zinc/99/21/33/653992133.db2.gz NKZQUUUTDFMFHF-UHFFFAOYSA-N 1 0 393.281 2.390 20 30 GEEDRO C#CCN(C(=O)c1cc2c(cc1Br)OCO2)C1CC[NH+](C)CC1 ZINC000886573595 653992194 /nfs/dbraw/zinc/99/21/94/653992194.db2.gz OHLSWOFYTSXQPX-UHFFFAOYSA-N 1 0 379.254 2.347 20 30 GEEDRO C#CCN(C(=O)c1ccccc1I)C1CC[NH+](C)CC1 ZINC000886588956 653992716 /nfs/dbraw/zinc/99/27/16/653992716.db2.gz DYOCGBCKGNOAAK-UHFFFAOYSA-N 1 0 382.245 2.461 20 30 GEEDRO C#CCN(C(=O)c1c[nH]c2ncc(Br)cc12)C1CC[NH+](C)CC1 ZINC000886577359 653992735 /nfs/dbraw/zinc/99/27/35/653992735.db2.gz FVMMIWJDFOUSJE-UHFFFAOYSA-N 1 0 375.270 2.495 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC000886896681 654007851 /nfs/dbraw/zinc/00/78/51/654007851.db2.gz QRVQPFKQZFQETN-JTQLQIEISA-N 1 0 383.342 2.100 20 30 GEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(I)cc2)CCOCC1 ZINC000887124709 654020854 /nfs/dbraw/zinc/02/08/54/654020854.db2.gz PSWMDEUIKRHKEC-UHFFFAOYSA-N 1 0 398.244 2.392 20 30 GEEDRO C#CCN(Cn1c(=O)oc2cccc(Br)c21)C1CC[NH+](C)CC1 ZINC000902537950 654182624 /nfs/dbraw/zinc/18/26/24/654182624.db2.gz FYGOBPGDCIOIAG-UHFFFAOYSA-N 1 0 378.270 2.344 20 30 GEEDRO O=C(N1C[C@H]2CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]2C1)C(F)(F)F ZINC000831576905 654192236 /nfs/dbraw/zinc/19/22/36/654192236.db2.gz LNGPVLHKKVNHQV-NXEZZACHSA-N 1 0 380.304 2.246 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890143056 654200063 /nfs/dbraw/zinc/20/00/63/654200063.db2.gz KVUTXVGJDUPIOQ-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870888833 654204253 /nfs/dbraw/zinc/20/42/53/654204253.db2.gz SOIYOTFOAJUOPA-CYBMUJFWSA-N 1 0 382.302 2.324 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890199858 654206059 /nfs/dbraw/zinc/20/60/59/654206059.db2.gz AMKRDFZZFUUJFX-UHFFFAOYSA-N 1 0 381.196 2.124 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943090 654211219 /nfs/dbraw/zinc/21/12/19/654211219.db2.gz WVKKUPTVTSQUFC-LJQANCHMSA-N 1 0 393.325 2.204 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Br ZINC000903557665 654255630 /nfs/dbraw/zinc/25/56/30/654255630.db2.gz GMBAKDFHSYBAQG-UHFFFAOYSA-N 1 0 384.299 2.131 20 30 GEEDRO C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000852818137 654261177 /nfs/dbraw/zinc/26/11/77/654261177.db2.gz QTQONOUOCWOTIG-GFCCVEGCSA-N 1 0 393.281 2.401 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852827737 654262303 /nfs/dbraw/zinc/26/23/03/654262303.db2.gz OLZNVEVEVLABRX-UHFFFAOYSA-N 1 0 392.297 2.205 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000852909181 654267995 /nfs/dbraw/zinc/26/79/95/654267995.db2.gz UWZHLNBESMDLNM-KRWDZBQOSA-N 1 0 377.282 2.352 20 30 GEEDRO C[NH+]1CCN(c2ccc(CNc3cc(Br)cnc3C#N)cn2)CC1 ZINC000853125149 654280661 /nfs/dbraw/zinc/28/06/61/654280661.db2.gz MAWLTIXMEVUTLC-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO C#C[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000833230823 654304020 /nfs/dbraw/zinc/30/40/20/654304020.db2.gz LENJYHJEDXEJBK-QGZVFWFLSA-N 1 0 378.314 2.267 20 30 GEEDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)CC2 ZINC000921838590 654329226 /nfs/dbraw/zinc/32/92/26/654329226.db2.gz IQQZNKRUGPOKHQ-CYBMUJFWSA-N 1 0 376.258 2.163 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494407 654330324 /nfs/dbraw/zinc/33/03/24/654330324.db2.gz MTRBMWCYBHTLSD-IONNQARKSA-N 1 0 383.296 2.475 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000905569710 654366616 /nfs/dbraw/zinc/36/66/16/654366616.db2.gz XIUPYRGRVAYXEU-HIFRSBDPSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000922283636 654381426 /nfs/dbraw/zinc/38/14/26/654381426.db2.gz FVRYJZNADLVHLY-AWEZNQCLSA-N 1 0 398.268 2.127 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1OC ZINC000922636601 654405382 /nfs/dbraw/zinc/40/53/82/654405382.db2.gz RWEUSLQRNWKRSV-UHFFFAOYSA-N 1 0 376.906 2.331 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000923571087 654469127 /nfs/dbraw/zinc/46/91/27/654469127.db2.gz ZHYSUXMLQQDSLS-LLVKDONJSA-N 1 0 384.205 2.324 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000906986168 654496342 /nfs/dbraw/zinc/49/63/42/654496342.db2.gz HTRQHXKAICLAQV-RHSMWYFYSA-N 1 0 376.507 2.376 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000928363114 654644677 /nfs/dbraw/zinc/64/46/77/654644677.db2.gz RFHBJZUNJRKQQI-HNNXBMFYSA-N 1 0 377.286 2.248 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000928653096 654654295 /nfs/dbraw/zinc/65/42/95/654654295.db2.gz YYLSJQSEEMLUAA-UHFFFAOYSA-N 1 0 382.245 2.048 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000928651235 654654400 /nfs/dbraw/zinc/65/44/00/654654400.db2.gz RJUSCAXTYQUATN-UHFFFAOYSA-N 1 0 381.270 2.294 20 30 GEEDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932555456 654782093 /nfs/dbraw/zinc/78/20/93/654782093.db2.gz FSQRCQKRENSRCY-LLVKDONJSA-N 1 0 384.221 2.379 20 30 GEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932811252 654791551 /nfs/dbraw/zinc/79/15/51/654791551.db2.gz IFJNYHLMLPNAJQ-RDTXWAMCSA-N 1 0 394.313 2.493 20 30 GEEDRO CON1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942629 654795071 /nfs/dbraw/zinc/79/50/71/654795071.db2.gz ZWJJQHFGFLURJW-GJMOJQLCSA-N 1 0 382.251 2.252 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000913518746 654797001 /nfs/dbraw/zinc/79/70/01/654797001.db2.gz ZJHPBLHBRQVYJF-JOCHJYFZSA-N 1 0 385.327 2.018 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000913518927 654797041 /nfs/dbraw/zinc/79/70/41/654797041.db2.gz GZLFGUGFANAMRO-UHFFFAOYSA-N 1 0 379.233 2.069 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000913518747 654797103 /nfs/dbraw/zinc/79/71/03/654797103.db2.gz ZJHPBLHBRQVYJF-QFIPXVFZSA-N 1 0 385.327 2.018 20 30 GEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498585 654851430 /nfs/dbraw/zinc/85/14/30/654851430.db2.gz ANVKXYAUOCJTKJ-DLBZAZTESA-N 1 0 380.286 2.055 20 30 GEEDRO C[C@@](CO)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000934498592 654851449 /nfs/dbraw/zinc/85/14/49/654851449.db2.gz ANVKXYAUOCJTKJ-SJORKVTESA-N 1 0 380.286 2.055 20 30 GEEDRO CCOC(=O)c1cc(C)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164683480 719614963 /nfs/dbraw/zinc/61/49/63/719614963.db2.gz JFPNRCUWIRNBRZ-UHFFFAOYSA-N 1 0 396.495 2.110 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164685303 719702530 /nfs/dbraw/zinc/70/25/30/719702530.db2.gz UOQYNONFYASZPL-UHFFFAOYSA-N 1 0 398.898 2.336 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(Cl)c1C#N)CC2 ZINC001164690256 719752452 /nfs/dbraw/zinc/75/24/52/719752452.db2.gz WWYPEGDSLGVFMQ-UHFFFAOYSA-N 1 0 382.295 2.441 20 30 GEEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(C#N)cn1)CC2 ZINC001164712018 720100395 /nfs/dbraw/zinc/10/03/95/720100395.db2.gz UCNKUPXVPFBMOA-LJQANCHMSA-N 1 0 378.480 2.251 20 30 GEEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739722 720697998 /nfs/dbraw/zinc/69/79/98/720697998.db2.gz PAVBJKNFDVECMT-CHWSQXEVSA-N 1 0 391.262 2.392 20 30 GEEDRO Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C#N ZINC001164745110 720825952 /nfs/dbraw/zinc/82/59/52/720825952.db2.gz WJGWEBJRDZQHQZ-CMKODMSKSA-N 1 0 377.496 2.233 20 30 GEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747690 720834579 /nfs/dbraw/zinc/83/45/79/720834579.db2.gz RHOUWOINZLDBNZ-TXPKVOOTSA-N 1 0 381.459 2.063 20 30 GEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747687 720834805 /nfs/dbraw/zinc/83/48/05/720834805.db2.gz RHOUWOINZLDBNZ-JTDSTZFVSA-N 1 0 381.459 2.063 20 30 GEEDRO N#CCc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741934 720839100 /nfs/dbraw/zinc/83/91/00/720839100.db2.gz GDEVNKNSTCWLNC-HSALFYBXSA-N 1 0 377.496 2.119 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]2C1 ZINC001164861687 720855536 /nfs/dbraw/zinc/85/55/36/720855536.db2.gz YCXPTVSMEALPRA-IUODEOHRSA-N 1 0 385.295 2.434 20 30 GEEDRO N#Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164865776 721086034 /nfs/dbraw/zinc/08/60/34/721086034.db2.gz PLAGITLFKMTQLQ-ROUUACIJSA-N 1 0 394.866 2.353 20 30 GEEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C1)CCC2 ZINC001164877655 721145539 /nfs/dbraw/zinc/14/55/39/721145539.db2.gz PPCMELRBBKLISL-VQTJNVASSA-N 1 0 375.476 2.317 20 30 GEEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774630 721300504 /nfs/dbraw/zinc/30/05/04/721300504.db2.gz FEZMZONYMSZOCO-INIZCTEOSA-N 1 0 383.496 2.348 20 30 GEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc12 ZINC001164902788 721546867 /nfs/dbraw/zinc/54/68/67/721546867.db2.gz BFKHQJFVMVOQMJ-NVXWUHKLSA-N 1 0 378.411 2.311 20 30 GEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc12 ZINC001164902792 721547112 /nfs/dbraw/zinc/54/71/12/721547112.db2.gz BFKHQJFVMVOQMJ-RDJZCZTQSA-N 1 0 378.411 2.311 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909769 721564080 /nfs/dbraw/zinc/56/40/80/721564080.db2.gz UWBCPOVVRNYBFD-NVXWUHKLSA-N 1 0 392.438 2.263 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3[nH]c(C#N)cc3n1)CCC2 ZINC001165002880 722255832 /nfs/dbraw/zinc/25/58/32/722255832.db2.gz VUEVDTUPOGWOBE-UHFFFAOYSA-N 1 0 379.468 2.120 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(cc1C#N)CCC3)CCC2 ZINC001165003411 722256217 /nfs/dbraw/zinc/25/62/17/722256217.db2.gz CEQCVJXZBRHGEX-UHFFFAOYSA-N 1 0 380.496 2.127 20 30 GEEDRO C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155164111 531661958 /nfs/dbraw/zinc/66/19/58/531661958.db2.gz DCRZEYYXPNNVCR-UHFFFAOYSA-N 1 0 380.286 2.402 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000122152154 532057658 /nfs/dbraw/zinc/05/76/58/532057658.db2.gz RHLCVDZPEHTNGC-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[NH+]1CCN(c2ccc(CNc3cc(C#N)c(Br)cn3)cn2)CC1 ZINC000603270200 532085777 /nfs/dbraw/zinc/08/57/77/532085777.db2.gz HBNNXQYCLLMXTE-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000176076794 532124503 /nfs/dbraw/zinc/12/45/03/532124503.db2.gz JBCCJVYDJWDTRQ-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178089911 532192461 /nfs/dbraw/zinc/19/24/61/532192461.db2.gz GHCOHJFWTRSJLA-MRXNPFEDSA-N 1 0 382.302 2.432 20 30 GEEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000136425600 532285084 /nfs/dbraw/zinc/28/50/84/532285084.db2.gz GJOSVDJTXSTCPG-KRWDZBQOSA-N 1 0 375.579 2.366 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181513881 532300350 /nfs/dbraw/zinc/30/03/50/532300350.db2.gz FXFZDEAVUUDLAI-UHFFFAOYSA-N 1 0 383.290 2.353 20 30 GEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640872 532303561 /nfs/dbraw/zinc/30/35/61/532303561.db2.gz ZAADNBOWWFFORI-GOEBONIOSA-N 1 0 379.503 2.246 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000188214188 532347372 /nfs/dbraw/zinc/34/73/72/532347372.db2.gz NQDKQMIDJRDQOW-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000191773168 532366793 /nfs/dbraw/zinc/36/67/93/532366793.db2.gz UVEMFMSUTVGNAP-HNNXBMFYSA-N 1 0 392.297 2.392 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc(Br)c1C#N ZINC000425733066 532391762 /nfs/dbraw/zinc/39/17/62/532391762.db2.gz AEVSRFTXOGAPCD-ZYHUDNBSSA-N 1 0 393.285 2.167 20 30 GEEDRO Cn1nc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000192182376 532391931 /nfs/dbraw/zinc/39/19/31/532391931.db2.gz NVBSMANFDYGRHL-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425746829 532392477 /nfs/dbraw/zinc/39/24/77/532392477.db2.gz SHKCSGOSEQZCCS-GFCCVEGCSA-N 1 0 393.285 2.168 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328785 532409075 /nfs/dbraw/zinc/40/90/75/532409075.db2.gz CAACNOBQJYMEIL-HNNXBMFYSA-N 1 0 384.299 2.037 20 30 GEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592751574 532458878 /nfs/dbraw/zinc/45/88/78/532458878.db2.gz ZPPKWHXRZKVTMX-ZDUSSCGKSA-N 1 0 391.313 2.215 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757378 532460310 /nfs/dbraw/zinc/46/03/10/532460310.db2.gz KYMVROKHNLOLSP-MRXNPFEDSA-N 1 0 391.313 2.310 20 30 GEEDRO C[NH+]1CCC(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592759631 532460495 /nfs/dbraw/zinc/46/04/95/532460495.db2.gz UKBBBDNWYLEBBZ-UHFFFAOYSA-N 1 0 391.313 2.215 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000593536764 532485408 /nfs/dbraw/zinc/48/54/08/532485408.db2.gz BDUKGZVFJCEABF-QGZVFWFLSA-N 1 0 394.313 2.216 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595090028 532544146 /nfs/dbraw/zinc/54/41/46/532544146.db2.gz BUAPMARSDLXTKA-LBPRGKRZSA-N 1 0 393.285 2.248 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000375746889 532581605 /nfs/dbraw/zinc/58/16/05/532581605.db2.gz XXBHBCFWYPLCCB-CYBMUJFWSA-N 1 0 384.299 2.180 20 30 GEEDRO CC[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CCOC1 ZINC000262780373 532601126 /nfs/dbraw/zinc/60/11/26/532601126.db2.gz IXGQNHKLKXXFSW-NSHDSACASA-N 1 0 384.274 2.269 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1Cl ZINC000264139059 532662559 /nfs/dbraw/zinc/66/25/59/532662559.db2.gz BAEPQJBAOJOWGX-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000567866224 532666928 /nfs/dbraw/zinc/66/69/28/532666928.db2.gz RGLOJJWMYLSSRN-QWRGUYRKSA-N 1 0 376.511 2.949 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(OC)c(OC)cc2Br)CC1 ZINC000263920048 532649970 /nfs/dbraw/zinc/64/99/70/532649970.db2.gz PPXIQZIZOFEINF-UHFFFAOYSA-N 1 0 395.297 2.428 20 30 GEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000298757520 532672912 /nfs/dbraw/zinc/67/29/12/532672912.db2.gz QJZDIKWWSGMDMJ-CHWSQXEVSA-N 1 0 395.301 2.185 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734831 532679838 /nfs/dbraw/zinc/67/98/38/532679838.db2.gz QPHGCBKCQDGFJM-CABCVRRESA-N 1 0 378.270 2.199 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000600756525 532680869 /nfs/dbraw/zinc/68/08/69/532680869.db2.gz QYAHAQSQRJEKGX-HNNXBMFYSA-N 1 0 392.253 2.254 20 30 GEEDRO CCOc1c(Br)cc(C[NH2+]CCn2cnc(C#N)n2)cc1OC ZINC000285464368 532683215 /nfs/dbraw/zinc/68/32/15/532683215.db2.gz JZPHBTSVBPVRKA-UHFFFAOYSA-N 1 0 380.246 2.109 20 30 GEEDRO C=CCSc1ccccc1NC(=O)CSc1nnnn1CC[NH+](C)C ZINC000488669600 532701198 /nfs/dbraw/zinc/70/11/98/532701198.db2.gz CJHIGIRSNUXLPC-UHFFFAOYSA-N 1 0 378.527 2.244 20 30 GEEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(Br)c(Br)c2)n1 ZINC000285535175 532689066 /nfs/dbraw/zinc/68/90/66/532689066.db2.gz PKGFTGKBLNYXDQ-UHFFFAOYSA-N 1 0 385.063 2.465 20 30 GEEDRO N#CCN1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000616089225 532749614 /nfs/dbraw/zinc/74/96/14/532749614.db2.gz FIYQCJLDCZWLRE-UHFFFAOYSA-N 1 0 393.329 2.363 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000549636674 532796306 /nfs/dbraw/zinc/79/63/06/532796306.db2.gz RQVAUJOAFRMOBH-WMLDXEAASA-N 1 0 384.571 2.327 20 30 GEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287469677 532797185 /nfs/dbraw/zinc/79/71/85/532797185.db2.gz OLUVJJLLFSCWFK-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329284544 532804931 /nfs/dbraw/zinc/80/49/31/532804931.db2.gz GCDSSHZINDTSPZ-ZDUSSCGKSA-N 1 0 395.301 2.436 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000415304832 532840835 /nfs/dbraw/zinc/84/08/35/532840835.db2.gz GJDCEGDOFFJMTI-ZDUSSCGKSA-N 1 0 375.782 2.169 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000415358775 532842647 /nfs/dbraw/zinc/84/26/47/532842647.db2.gz KFGACGWMDDNCDK-CYBMUJFWSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415434546 532845645 /nfs/dbraw/zinc/84/56/45/532845645.db2.gz INCFYKGWULYJJM-DGCLKSJQSA-N 1 0 396.285 2.148 20 30 GEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000415487617 532847427 /nfs/dbraw/zinc/84/74/27/532847427.db2.gz NFZNBGPGGLBHLQ-AWEZNQCLSA-N 1 0 381.274 2.091 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415571737 532850548 /nfs/dbraw/zinc/85/05/48/532850548.db2.gz UENVTWRGXHQEHE-NEPJUHHUSA-N 1 0 396.285 2.161 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415660383 532852745 /nfs/dbraw/zinc/85/27/45/532852745.db2.gz NQBTXHBKROQHEB-WCQYABFASA-N 1 0 396.285 2.209 20 30 GEEDRO C#C[C@@H](C)[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000289349315 532852793 /nfs/dbraw/zinc/85/27/93/532852793.db2.gz IYMXHJPJRDQSRD-GFCCVEGCSA-N 1 0 383.286 2.426 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000289425415 532854710 /nfs/dbraw/zinc/85/47/10/532854710.db2.gz CHYMICXILAWOSP-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000332460683 532855761 /nfs/dbraw/zinc/85/57/61/532855761.db2.gz IZWDIGWMHHPAPJ-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000274824628 532857483 /nfs/dbraw/zinc/85/74/83/532857483.db2.gz QRIGDVPCZREPTB-CVEARBPZSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415802072 532858411 /nfs/dbraw/zinc/85/84/11/532858411.db2.gz HMMYKPCUKWRDMB-UHFFFAOYSA-N 1 0 397.317 2.431 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000289652212 532861484 /nfs/dbraw/zinc/86/14/84/532861484.db2.gz TUVOVVWPTFOBDN-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333574067 532871246 /nfs/dbraw/zinc/87/12/46/532871246.db2.gz SJWCODTUNXUSKM-CQSZACIVSA-N 1 0 386.297 2.353 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365407413 532910788 /nfs/dbraw/zinc/91/07/88/532910788.db2.gz WKJNXRFOCIUTCX-OAHLLOKOSA-N 1 0 398.326 2.066 20 30 GEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(C)C ZINC000293092154 532921782 /nfs/dbraw/zinc/92/17/82/532921782.db2.gz RFYSOHWNVOEXOC-UHFFFAOYSA-N 1 0 395.301 2.494 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293251977 532924188 /nfs/dbraw/zinc/92/41/88/532924188.db2.gz CZOSKVWGKVDWMH-CQSZACIVSA-N 1 0 393.285 2.250 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682833 532926475 /nfs/dbraw/zinc/92/64/75/532926475.db2.gz BXUVECXEKRRJHL-HOCLYGCPSA-N 1 0 379.844 2.466 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000293962841 532933984 /nfs/dbraw/zinc/93/39/84/532933984.db2.gz LEMHHXSRFMNOMM-UHFFFAOYSA-N 1 0 377.539 2.190 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735375028 599274250 /nfs/dbraw/zinc/27/42/50/599274250.db2.gz IEDZIZNICYBMIC-UHFFFAOYSA-N 1 0 396.495 2.020 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OCC)CC1 ZINC000735399118 598372581 /nfs/dbraw/zinc/37/25/81/598372581.db2.gz PJYSCSOKZWOIFS-UHFFFAOYSA-N 1 0 385.472 2.427 20 30 GEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)nc1 ZINC000822829945 607479647 /nfs/dbraw/zinc/47/96/47/607479647.db2.gz QOAVUEWJTPXBFQ-UHFFFAOYSA-N 1 0 378.415 2.031 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000445709799 649963864 /nfs/dbraw/zinc/96/38/64/649963864.db2.gz OZOKXJQPZTWSFF-CABCVRRESA-N 1 0 385.942 2.412 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419794 606299632 /nfs/dbraw/zinc/29/96/32/606299632.db2.gz KKCTXYSDFCTCBS-ABAIWWIYSA-N 1 0 379.449 2.256 20 30 GEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745482 606888611 /nfs/dbraw/zinc/88/86/11/606888611.db2.gz FYQHXNSGDSJGSA-GOSISDBHSA-N 1 0 380.408 2.497 20 30 GEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822826426 606896137 /nfs/dbraw/zinc/89/61/37/606896137.db2.gz XTTQVUHGRHONCS-FQEVSTJZSA-N 1 0 390.447 2.315 20 30 GEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822826013 606896498 /nfs/dbraw/zinc/89/64/98/606896498.db2.gz RHBZCDBJQGPFIK-FQEVSTJZSA-N 1 0 390.447 2.315 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000819743512 606986070 /nfs/dbraw/zinc/98/60/70/606986070.db2.gz KUGKBZGKHOVOQY-GOSISDBHSA-N 1 0 383.500 2.439 20 30 GEEDRO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823872989 607880728 /nfs/dbraw/zinc/88/07/28/607880728.db2.gz GGYJXRJLGFKDOV-LJQANCHMSA-N 1 0 398.511 2.272 20 30 GEEDRO CN(C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)C1(C#N)CCCCC1 ZINC000825817306 608530765 /nfs/dbraw/zinc/53/07/65/608530765.db2.gz GKOXEXKYLKZUBO-UHFFFAOYSA-N 1 0 379.468 2.130 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000825411871 609257363 /nfs/dbraw/zinc/25/73/63/609257363.db2.gz FVHUZCWRJZLYEE-LPHOPBHVSA-N 1 0 396.495 2.112 20 30 GEEDRO COc1cccc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826216553 609522164 /nfs/dbraw/zinc/52/21/64/609522164.db2.gz DSMWQQMBVQGBHW-UHFFFAOYSA-N 1 0 378.440 2.334 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000446930302 649990850 /nfs/dbraw/zinc/99/08/50/649990850.db2.gz NLTFAFVBHPSBAB-XOKHGSTOSA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449748393 650048451 /nfs/dbraw/zinc/04/84/51/650048451.db2.gz LVHFPNSQLKWNHO-CHWSQXEVSA-N 1 0 378.270 2.443 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449998825 650058181 /nfs/dbraw/zinc/05/81/81/650058181.db2.gz ZHNXPYLSJCFJDU-CYBMUJFWSA-N 1 0 380.286 2.500 20 30 GEEDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450967133 650076706 /nfs/dbraw/zinc/07/67/06/650076706.db2.gz WTELVPQSLQVANU-GFCCVEGCSA-N 1 0 380.286 2.238 20 30 GEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450960936 650076792 /nfs/dbraw/zinc/07/67/92/650076792.db2.gz TYAUYLNHXGBCRS-UHFFFAOYSA-N 1 0 393.329 2.467 20 30 GEEDRO CC(C)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000451161807 650091745 /nfs/dbraw/zinc/09/17/45/650091745.db2.gz JYAFSKIGHYOTLV-OAHLLOKOSA-N 1 0 380.286 2.498 20 30 GEEDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451241904 650097411 /nfs/dbraw/zinc/09/74/11/650097411.db2.gz LWMNBINIQUHHEY-UHFFFAOYSA-N 1 0 385.917 2.137 20 30 GEEDRO C[NH+](C)CCn1nccc1NC(=O)COc1cccc(Br)c1C#N ZINC000452519219 650188057 /nfs/dbraw/zinc/18/80/57/650188057.db2.gz BFOMXSSLIAQPIB-UHFFFAOYSA-N 1 0 392.257 2.096 20 30 GEEDRO CC[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000454010339 650244782 /nfs/dbraw/zinc/24/47/82/650244782.db2.gz XOUABIHYLVJPNU-LBPRGKRZSA-N 1 0 393.285 2.202 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000454070955 650250733 /nfs/dbraw/zinc/25/07/33/650250733.db2.gz QOLCEMOBAKUMSF-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000454105532 650253583 /nfs/dbraw/zinc/25/35/83/650253583.db2.gz QFGRMPIBSZBMDD-AWEZNQCLSA-N 1 0 393.285 2.200 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920625 650508147 /nfs/dbraw/zinc/50/81/47/650508147.db2.gz HOCJFVRYLGXHTE-RISCZKNCSA-N 1 0 383.279 2.084 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000514719977 650577569 /nfs/dbraw/zinc/57/75/69/650577569.db2.gz VRRMTWIULCBGGE-GFCCVEGCSA-N 1 0 396.285 2.150 20 30 GEEDRO CN1C2(CCC2)COC[C@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132792 650685746 /nfs/dbraw/zinc/68/57/46/650685746.db2.gz NXQQVAWVKCGMDR-QGZVFWFLSA-N 1 0 380.286 2.348 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000533095935 650757042 /nfs/dbraw/zinc/75/70/42/650757042.db2.gz JAFBNSWVBSKPBM-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000066921471 642950859 /nfs/dbraw/zinc/95/08/59/642950859.db2.gz QWVAKXRSTJNHBQ-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC000121433385 643632871 /nfs/dbraw/zinc/63/28/71/643632871.db2.gz HIABFERYBBQNLS-OAHLLOKOSA-N 1 0 378.274 2.224 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000160288686 644200520 /nfs/dbraw/zinc/20/05/20/644200520.db2.gz KVBLDKUDGYYIBY-UHFFFAOYSA-N 1 0 397.288 2.254 20 30 GEEDRO C=C(Br)CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000186601396 645069344 /nfs/dbraw/zinc/06/93/44/645069344.db2.gz WHQAJBIRLMGMEF-KRWDZBQOSA-N 1 0 382.302 2.173 20 30 GEEDRO CC[NH+]=C(NCc1c(F)cccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261662460 645593171 /nfs/dbraw/zinc/59/31/71/645593171.db2.gz AWFGLSXLWYERCV-UHFFFAOYSA-N 1 0 375.897 2.454 20 30 GEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261849154 645605064 /nfs/dbraw/zinc/60/50/64/645605064.db2.gz XCMCPZCCIAQRMU-MAUKXSAKSA-N 1 0 382.961 2.342 20 30 GEEDRO C[NH+]=C(NC[C@@H](C)Oc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963533 645615094 /nfs/dbraw/zinc/61/50/94/645615094.db2.gz KWQFHFXGXJTXET-CYBMUJFWSA-N 1 0 387.933 2.192 20 30 GEEDRO [NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NC1CCCCCC1 ZINC000262017022 645615419 /nfs/dbraw/zinc/61/54/19/645615419.db2.gz WLHCWCYYJUINDK-UHFFFAOYSA-N 1 0 378.951 2.307 20 30 GEEDRO [NH2+]=C(NCc1ccc(Br)c(F)c1)N1CCN(c2ncccn2)CC1 ZINC000262027121 645615620 /nfs/dbraw/zinc/61/56/20/645615620.db2.gz ZYSPHTUVAQSKMD-UHFFFAOYSA-N 1 0 393.264 2.015 20 30 GEEDRO CN(Cc1ccc(Cl)s1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262295290 645624997 /nfs/dbraw/zinc/62/49/97/645624997.db2.gz ZMUPOCBZHBSKBN-LLVKDONJSA-N 1 0 375.947 2.376 20 30 GEEDRO C[C@@H]1CCCN(C(NCCc2cccs2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262376339 645629074 /nfs/dbraw/zinc/62/90/74/645629074.db2.gz JOQHXNHXOJQEDO-CVEARBPZSA-N 1 0 383.583 2.403 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCN(c2ncccn2)CC1 ZINC000262606975 645639698 /nfs/dbraw/zinc/63/96/98/645639698.db2.gz ZWXHITOCFDNRGU-UHFFFAOYSA-N 1 0 395.330 2.198 20 30 GEEDRO C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262738820 645643730 /nfs/dbraw/zinc/64/37/30/645643730.db2.gz DEPVIUHPHFJLHG-HNNXBMFYSA-N 1 0 391.317 2.425 20 30 GEEDRO C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262761204 645644298 /nfs/dbraw/zinc/64/42/98/645644298.db2.gz FXKWTXKQDGDTOC-SFHVURJKSA-N 1 0 381.615 2.466 20 30 GEEDRO C[NH+]=C(NCCn1ccnc1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262816174 645646026 /nfs/dbraw/zinc/64/60/26/645646026.db2.gz RWQKGGQPTRQAPY-AWEZNQCLSA-N 1 0 391.317 2.090 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])CCSC)nc1C ZINC000269109927 646016390 /nfs/dbraw/zinc/01/63/90/646016390.db2.gz WDKIQKWUCRCAHH-SECBINFHSA-N 1 0 384.556 2.204 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cncc(Cl)c1 ZINC000269957556 646076741 /nfs/dbraw/zinc/07/67/41/646076741.db2.gz IIUGBILGMBGFCW-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Br)c1 ZINC000303972531 647278670 /nfs/dbraw/zinc/27/86/70/647278670.db2.gz FXBQDQZIQLRAPJ-UHFFFAOYSA-N 1 0 397.361 2.353 20 30 GEEDRO C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000329717870 647324065 /nfs/dbraw/zinc/32/40/65/647324065.db2.gz YBLDMBQQQQTOOW-JTQLQIEISA-N 1 0 377.919 2.287 20 30 GEEDRO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)cn1 ZINC000331032919 647363832 /nfs/dbraw/zinc/36/38/32/647363832.db2.gz WDZVXPDDYGZDEP-GFCCVEGCSA-N 1 0 385.306 2.113 20 30 GEEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000331154650 647368624 /nfs/dbraw/zinc/36/86/24/647368624.db2.gz IUKSFWAPXJBGSU-LLVKDONJSA-N 1 0 375.441 2.457 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000361121283 647560056 /nfs/dbraw/zinc/56/00/56/647560056.db2.gz GJNOLFHAAIFETL-VNQPRFMTSA-N 1 0 383.901 2.084 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000361121282 647560178 /nfs/dbraw/zinc/56/01/78/647560178.db2.gz GJNOLFHAAIFETL-KBMXLJTQSA-N 1 0 383.901 2.084 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362160410 647567732 /nfs/dbraw/zinc/56/77/32/647567732.db2.gz KGYNWKBPHUQSII-UHOFOFEASA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1ccc(Br)c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000365188064 647663185 /nfs/dbraw/zinc/66/31/85/647663185.db2.gz AQFNGGMRTUUWKP-KRWDZBQOSA-N 1 0 391.313 2.235 20 30 GEEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416410906 648116080 /nfs/dbraw/zinc/11/60/80/648116080.db2.gz YHKYRANFSVVAOZ-SMDDNHRTSA-N 1 0 386.315 2.424 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000416558204 648171015 /nfs/dbraw/zinc/17/10/15/648171015.db2.gz OTPUVGTUDRMSMJ-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418764784 648310545 /nfs/dbraw/zinc/31/05/45/648310545.db2.gz OGLJXLWFLNBRHW-OAHLLOKOSA-N 1 0 399.308 2.189 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419641259 648358859 /nfs/dbraw/zinc/35/88/59/648358859.db2.gz HTPOIXLDRAJRBD-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419655945 648360037 /nfs/dbraw/zinc/36/00/37/648360037.db2.gz TXEVTFFTTGPZKH-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419658301 648360476 /nfs/dbraw/zinc/36/04/76/648360476.db2.gz XXYQNSSLNZDUJX-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419702671 648367416 /nfs/dbraw/zinc/36/74/16/648367416.db2.gz VPHXQCCCLKEZFR-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1=CC[N@H+](C)CC1 ZINC000419729554 648371724 /nfs/dbraw/zinc/37/17/24/648371724.db2.gz OPEPZVVDLCJKCX-NSHDSACASA-N 1 0 391.269 2.026 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000424184074 648616054 /nfs/dbraw/zinc/61/60/54/648616054.db2.gz LCQMXWMOLPINHD-INIZCTEOSA-N 1 0 397.292 2.254 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000424186094 648616130 /nfs/dbraw/zinc/61/61/30/648616130.db2.gz HQFNHBYSHRUNAC-LBPRGKRZSA-N 1 0 378.230 2.136 20 30 GEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425737341 648691846 /nfs/dbraw/zinc/69/18/46/648691846.db2.gz GAMJDRDRHILADE-LLVKDONJSA-N 1 0 395.301 2.414 20 30 GEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)C1CC1 ZINC000425740627 648692956 /nfs/dbraw/zinc/69/29/56/648692956.db2.gz KKEIMDJWSTXRTB-UHFFFAOYSA-N 1 0 393.285 2.168 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000443527639 648880945 /nfs/dbraw/zinc/88/09/45/648880945.db2.gz HSAZDDWTOZCBBH-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550829027 651115298 /nfs/dbraw/zinc/11/52/98/651115298.db2.gz QHRCXMXYGILJER-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(C#N)c3Br)n2)CC1 ZINC000560260266 651305828 /nfs/dbraw/zinc/30/58/28/651305828.db2.gz VSEBVNCPACHXDU-UHFFFAOYSA-N 1 0 388.269 3.036 20 30 GEEDRO CC[N@H+](CCNc1ccc(C#N)cc1CS(N)(=O)=O)CCC(F)(F)F ZINC000603359968 651484172 /nfs/dbraw/zinc/48/41/72/651484172.db2.gz SNRKUHTZQRLLGB-UHFFFAOYSA-N 1 0 378.420 2.033 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604198017 651509639 /nfs/dbraw/zinc/50/96/39/651509639.db2.gz DLWLKXZTNCZQBS-CYBMUJFWSA-N 1 0 396.285 2.309 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000564445051 651567602 /nfs/dbraw/zinc/56/76/02/651567602.db2.gz ZPRUTENNXINHOW-INIZCTEOSA-N 1 0 393.285 2.327 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000565259349 651591459 /nfs/dbraw/zinc/59/14/59/651591459.db2.gz PABBVRLCKLTYSQ-GFCCVEGCSA-N 1 0 393.285 2.106 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c(C)cc2C)c1C#N ZINC000569425147 651713112 /nfs/dbraw/zinc/71/31/12/651713112.db2.gz CCLPKPXONZIXHK-UHFFFAOYSA-N 1 0 390.285 3.065 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000747816822 652180425 /nfs/dbraw/zinc/18/04/25/652180425.db2.gz YAFBTMWFLHNOQM-OAHLLOKOSA-N 1 0 385.291 2.195 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000623381674 652233508 /nfs/dbraw/zinc/23/35/08/652233508.db2.gz AMIJWUGDPBGANN-CQSZACIVSA-N 1 0 388.917 2.427 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2COCCN2C)cc1OC ZINC000623711201 652255412 /nfs/dbraw/zinc/25/54/12/652255412.db2.gz XIBNQYZQIBHEPN-AWEZNQCLSA-N 1 0 385.302 2.443 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000578769245 652292538 /nfs/dbraw/zinc/29/25/38/652292538.db2.gz OHAKVZPHTISSSW-NJZAAPMLSA-N 1 0 384.299 2.069 20 30 GEEDRO CSC1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+](C)CC1 ZINC000581042177 652399049 /nfs/dbraw/zinc/39/90/49/652399049.db2.gz FGFZNONDJJYVQS-UHFFFAOYSA-N 1 0 380.901 2.094 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000753434750 652407835 /nfs/dbraw/zinc/40/78/35/652407835.db2.gz QALYRDKALHRZDN-UHFFFAOYSA-N 1 0 392.253 2.064 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000581325109 652410877 /nfs/dbraw/zinc/41/08/77/652410877.db2.gz GWYQYJQIVXCANY-AWEZNQCLSA-N 1 0 393.285 2.250 20 30 GEEDRO C#CCN1CCN(C(=O)CN2CCC[C@H]2c2ccccc2Br)CC1 ZINC000756000319 652483999 /nfs/dbraw/zinc/48/39/99/652483999.db2.gz UEUDNKONKFPHBS-SFHVURJKSA-N 1 0 390.325 2.363 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588118056 652547850 /nfs/dbraw/zinc/54/78/50/652547850.db2.gz ZZNIMGPKZNONFO-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593733471 652634069 /nfs/dbraw/zinc/63/40/69/652634069.db2.gz HKJRBDPKOLHINS-XEZPLFJOSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(Br)cc1C#N)CCO2 ZINC000593753737 652634663 /nfs/dbraw/zinc/63/46/63/652634663.db2.gz WTSKWLQYHFSRHO-UHFFFAOYSA-N 1 0 392.297 2.186 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000594430909 652648597 /nfs/dbraw/zinc/64/85/97/652648597.db2.gz DADYZLJIYLBCCT-CYBMUJFWSA-N 1 0 382.258 2.248 20 30 GEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000772948418 653173380 /nfs/dbraw/zinc/17/33/80/653173380.db2.gz WOFWBQPOIAMHSF-HNNXBMFYSA-N 1 0 388.917 2.131 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000774961576 653275006 /nfs/dbraw/zinc/27/50/06/653275006.db2.gz GWUQFVZVJKOZCL-HNNXBMFYSA-N 1 0 382.302 2.211 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836316690 653344182 /nfs/dbraw/zinc/34/41/82/653344182.db2.gz CBLNJTSJTSOVSJ-MRXNPFEDSA-N 1 0 382.302 2.432 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@@H](C)CN1CCOCC1)c1ccc(Br)cc1 ZINC000836352762 653346589 /nfs/dbraw/zinc/34/65/89/653346589.db2.gz XLZXFDHWDDGQDN-RHSMWYFYSA-N 1 0 394.313 2.391 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608491 653437445 /nfs/dbraw/zinc/43/74/45/653437445.db2.gz BEDQTDMZUWMXCY-GXTWGEPZSA-N 1 0 380.794 2.373 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802745 653449266 /nfs/dbraw/zinc/44/92/66/653449266.db2.gz RMQHEFRMNUYLIX-SKDRFNHKSA-N 1 0 377.267 2.414 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000815082823 653650461 /nfs/dbraw/zinc/65/04/61/653650461.db2.gz GYDASSQUYIHEQJ-UHFFFAOYSA-N 1 0 393.292 2.013 20 30 GEEDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350922 653655523 /nfs/dbraw/zinc/65/55/23/653655523.db2.gz AXXWGKHRWQMNAA-YVEFUNNKSA-N 1 0 397.269 2.352 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cn3c(Br)cnc3s2)CC1 ZINC000815675493 653662958 /nfs/dbraw/zinc/66/29/58/653662958.db2.gz MCNMEBHBUFPJFB-UHFFFAOYSA-N 1 0 381.299 2.376 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000840951676 653703478 /nfs/dbraw/zinc/70/34/78/653703478.db2.gz FVXZZYYSHBQOIE-UHFFFAOYSA-N 1 0 386.901 2.123 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007991 653704957 /nfs/dbraw/zinc/70/49/57/653704957.db2.gz WIADIIVQLGJMOK-HQJQHLMTSA-N 1 0 388.063 2.445 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031732 653705471 /nfs/dbraw/zinc/70/54/71/653705471.db2.gz VYZUCKQOPWVYQL-RDDDGLTNSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031733 653705542 /nfs/dbraw/zinc/70/55/42/653705542.db2.gz VYZUCKQOPWVYQL-WRWORJQWSA-N 1 0 390.612 2.178 20 30 GEEDRO C=C(Br)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000841335464 653713276 /nfs/dbraw/zinc/71/32/76/653713276.db2.gz QYBHKRYHRWCXIG-UHFFFAOYSA-N 1 0 383.290 2.001 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000818592832 653734200 /nfs/dbraw/zinc/73/42/00/653734200.db2.gz BCAWMGWCBCFPEI-QGZVFWFLSA-N 1 0 394.313 2.088 20 30 GEEDRO COC(=O)C1CC[NH+](CCCNc2ncc(C#N)cc2Br)CC1 ZINC000881808910 653740784 /nfs/dbraw/zinc/74/07/84/653740784.db2.gz KJWVUVJUFKFFSV-UHFFFAOYSA-N 1 0 381.274 2.403 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000787618877 653741044 /nfs/dbraw/zinc/74/10/44/653741044.db2.gz ZQNFGOIUBVADAC-CYBMUJFWSA-N 1 0 388.331 2.272 20 30 GEEDRO N#Cc1ccc(-c2cccc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)c2)s1 ZINC000819092341 653743041 /nfs/dbraw/zinc/74/30/41/653743041.db2.gz VZWBDZQNPZRHJK-UHFFFAOYSA-N 1 0 376.503 2.316 20 30 GEEDRO N#Cc1cccc(Br)c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000865631779 653770668 /nfs/dbraw/zinc/77/06/68/653770668.db2.gz IMIRAIYYPUODKC-OAHLLOKOSA-N 1 0 377.286 2.239 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843096046 653779133 /nfs/dbraw/zinc/77/91/33/653779133.db2.gz QVPKIAGENFWSHG-KBXCAEBGSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000843098318 653779261 /nfs/dbraw/zinc/77/92/61/653779261.db2.gz VVNADWZUKKDXCY-WBVHZDCISA-N 1 0 391.265 2.384 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000866015822 653783363 /nfs/dbraw/zinc/78/33/63/653783363.db2.gz UBHNZNFOPGYXTG-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843459495 653787410 /nfs/dbraw/zinc/78/74/10/653787410.db2.gz FKPRDHLHAZRIOM-DOMZBBRYSA-N 1 0 388.269 2.093 20 30 GEEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Br)c(C#N)n2)n1 ZINC000883084910 653825551 /nfs/dbraw/zinc/82/55/51/653825551.db2.gz FCUPBAPPVNNFST-UHFFFAOYSA-N 1 0 378.234 2.118 20 30 GEEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366277 653837400 /nfs/dbraw/zinc/83/74/00/653837400.db2.gz QCLAKLDWTHMYHU-MRVPVSSYSA-N 1 0 385.255 2.318 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(I)c1)C2 ZINC000884047495 653861317 /nfs/dbraw/zinc/86/13/17/653861317.db2.gz XCQLFMBWZSBPFL-LOIXOFCESA-N 1 0 381.217 2.369 20 30 GEEDRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884109657 653863799 /nfs/dbraw/zinc/86/37/99/653863799.db2.gz MODNTGVDSJOATI-VMBJYNEYSA-N 1 0 391.269 2.485 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1ccccc1Br ZINC000884155544 653866382 /nfs/dbraw/zinc/86/63/82/653866382.db2.gz FFOJYLFNRKMHML-VUULHSHRSA-N 1 0 392.297 2.472 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccc(I)cc1 ZINC000793141583 653868072 /nfs/dbraw/zinc/86/80/72/653868072.db2.gz OPMIVCPDXUDPCR-OAHLLOKOSA-N 1 0 383.229 2.475 20 30 GEEDRO Cn1c(Cl)cnc1-c1csc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1 ZINC000884399938 653875328 /nfs/dbraw/zinc/87/53/28/653875328.db2.gz RVDJAQORACUHTE-MAXPVNGDSA-N 1 0 376.873 2.275 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846235163 653892789 /nfs/dbraw/zinc/89/27/89/653892789.db2.gz UEYRUXQAZHPPNT-WQVCFCJDSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957604 653898326 /nfs/dbraw/zinc/89/83/26/653898326.db2.gz TYBXBHWFAGQRPB-RYUDHWBXSA-N 1 0 384.299 2.226 20 30 GEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Br ZINC000825477104 653930521 /nfs/dbraw/zinc/93/05/21/653930521.db2.gz KTDIJIGWRDOTIH-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C#C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000897871370 653941117 /nfs/dbraw/zinc/94/11/17/653941117.db2.gz BEFWQTDVJTYATM-KRWDZBQOSA-N 1 0 377.282 2.350 20 30 GEEDRO COCC[NH+]1CCC(OC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000847887050 653950434 /nfs/dbraw/zinc/95/04/34/653950434.db2.gz YKWUDLOFOPBXTK-UHFFFAOYSA-N 1 0 397.269 2.354 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826747131 653959272 /nfs/dbraw/zinc/95/92/72/653959272.db2.gz OZPBTRSUKXRRKJ-UHFFFAOYSA-N 1 0 384.234 2.060 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@H]21 ZINC000827245056 653982818 /nfs/dbraw/zinc/98/28/18/653982818.db2.gz HZDNWDBULGQADE-SWLSCSKDSA-N 1 0 378.270 2.252 20 30 GEEDRO C#CCN(C(=O)c1ccc2c(Br)cnn2c1)C1CC[NH+](C)CC1 ZINC000886571292 653992094 /nfs/dbraw/zinc/99/20/94/653992094.db2.gz QDWJVENQRPOMKR-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC000886898137 654008143 /nfs/dbraw/zinc/00/81/43/654008143.db2.gz SELLWWTZIMCJMN-SNVBAGLBSA-N 1 0 383.342 2.100 20 30 GEEDRO C[NH+]1CCC(CNC(=S)NNc2cc(C#N)ccc2Br)CC1 ZINC000849288767 654010692 /nfs/dbraw/zinc/01/06/92/654010692.db2.gz NBDNFWDJJQYECC-UHFFFAOYSA-N 1 0 382.331 2.454 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000900111783 654050675 /nfs/dbraw/zinc/05/06/75/654050675.db2.gz HZIHIPWOEABYBQ-CQSZACIVSA-N 1 0 376.258 2.202 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000900488540 654066777 /nfs/dbraw/zinc/06/67/77/654066777.db2.gz PSPIRWKFFCODLE-UHFFFAOYSA-N 1 0 380.388 2.435 20 30 GEEDRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Br)n1 ZINC000888223019 654071699 /nfs/dbraw/zinc/07/16/99/654071699.db2.gz VKWXMDZACUGUMP-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000830169455 654103442 /nfs/dbraw/zinc/10/34/42/654103442.db2.gz XRQHHPYRUWZWRS-HNNXBMFYSA-N 1 0 390.281 2.089 20 30 GEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000917745788 654133082 /nfs/dbraw/zinc/13/30/82/654133082.db2.gz IIGXINZCEQQYAK-HNNXBMFYSA-N 1 0 383.539 2.025 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000800311729 654140484 /nfs/dbraw/zinc/14/04/84/654140484.db2.gz ZVWWJPJPKAGBBI-UHFFFAOYSA-N 1 0 398.297 2.109 20 30 GEEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000852098093 654218057 /nfs/dbraw/zinc/21/80/57/654218057.db2.gz FJZPSLYCEBXEGV-QGZVFWFLSA-N 1 0 385.917 2.310 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000903494453 654241538 /nfs/dbraw/zinc/24/15/38/654241538.db2.gz IISSQRXODXXITJ-VZJVUDMVSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000903570429 654257611 /nfs/dbraw/zinc/25/76/11/654257611.db2.gz IBDLFMLXSMWRBZ-GHMZBOCLSA-N 1 0 387.305 2.087 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903571709 654257861 /nfs/dbraw/zinc/25/78/61/654257861.db2.gz NLUWAIFSNSKYGH-CXAGYDPISA-N 1 0 375.475 2.154 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578134 654260736 /nfs/dbraw/zinc/26/07/36/654260736.db2.gz CEFFYBWOGVGCSC-SVGQVSJJSA-N 1 0 380.285 2.143 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246073 654319492 /nfs/dbraw/zinc/31/94/92/654319492.db2.gz ADUJDTKKALXBFJ-KRWDZBQOSA-N 1 0 378.881 2.179 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000922022648 654355871 /nfs/dbraw/zinc/35/58/71/654355871.db2.gz PPSOOMCOFUDBLK-UHFFFAOYSA-N 1 0 396.310 2.039 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sccc1Br ZINC000922024297 654356333 /nfs/dbraw/zinc/35/63/33/654356333.db2.gz OPSQJSVMLCUPGO-UHFFFAOYSA-N 1 0 377.329 2.229 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000922025424 654356979 /nfs/dbraw/zinc/35/69/79/654356979.db2.gz LEWUEKCSQRCPRP-UHFFFAOYSA-N 1 0 376.400 2.145 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000906594372 654451717 /nfs/dbraw/zinc/45/17/17/654451717.db2.gz ZOWFNVHPORHORS-UHFFFAOYSA-N 1 0 377.251 2.128 20 30 GEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Br)ccc2Br)n1 ZINC000894420587 654474430 /nfs/dbraw/zinc/47/44/30/654474430.db2.gz TZRYLTQISNTSQC-UHFFFAOYSA-N 1 0 385.063 2.465 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000906818813 654475417 /nfs/dbraw/zinc/47/54/17/654475417.db2.gz OMZWACVAZDWTAA-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907224656 654521429 /nfs/dbraw/zinc/52/14/29/654521429.db2.gz KSNSVBGWWLYWDQ-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)[C@@H]2C1 ZINC000907253190 654524260 /nfs/dbraw/zinc/52/42/60/654524260.db2.gz OCLSCQSWNZKZBP-XHDPSFHLSA-N 1 0 384.299 2.035 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)s1 ZINC000924978559 654530196 /nfs/dbraw/zinc/53/01/96/654530196.db2.gz WZFUVZCHJWZURB-VXGBXAGGSA-N 1 0 375.947 2.020 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)C2)s1 ZINC000907344186 654533802 /nfs/dbraw/zinc/53/38/02/654533802.db2.gz CVUSJUSIKSHCJW-GDBMZVCRSA-N 1 0 384.571 2.147 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926143672 654560671 /nfs/dbraw/zinc/56/06/71/654560671.db2.gz WPHRJFRDDUCOTJ-UHFFFAOYSA-N 1 0 383.290 2.041 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000928650988 654654324 /nfs/dbraw/zinc/65/43/24/654654324.db2.gz JKHGIKQLINOLKV-UHFFFAOYSA-N 1 0 379.254 2.063 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000928657524 654654761 /nfs/dbraw/zinc/65/47/61/654654761.db2.gz MENSUXDPKQEPLR-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000932177912 654769101 /nfs/dbraw/zinc/76/91/01/654769101.db2.gz GEUSXBHMODHPHL-GFCCVEGCSA-N 1 0 397.260 2.499 20 30 GEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@H]2C1 ZINC000932548094 654781032 /nfs/dbraw/zinc/78/10/32/654781032.db2.gz YYEDQIYAQHGKJX-RISCZKNCSA-N 1 0 396.232 2.331 20 30 GEEDRO CON1CC[C@H]([NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942627 654795014 /nfs/dbraw/zinc/79/50/14/654795014.db2.gz ZWJJQHFGFLURJW-FXQIFTODSA-N 1 0 382.251 2.252 20 30 GEEDRO C#CCNC(=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942523 654795030 /nfs/dbraw/zinc/79/50/30/654795030.db2.gz HTHOINVIWSBPIV-IUCAKERBSA-N 1 0 378.263 2.229 20 30 GEEDRO Cn1cc(CC[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945370 654795501 /nfs/dbraw/zinc/79/55/01/654795501.db2.gz WFDDRZCEJYJCEB-IUCAKERBSA-N 1 0 378.267 2.460 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164684152 719702062 /nfs/dbraw/zinc/70/20/62/719702062.db2.gz NICQSWFZQWABPA-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@H]2CC ZINC001164699222 719820872 /nfs/dbraw/zinc/82/08/72/719820872.db2.gz GXZSZYKNUOHNPI-AVRDEDQJSA-N 1 0 398.555 2.154 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C)c1C#N)C2 ZINC001164809663 720120268 /nfs/dbraw/zinc/12/02/68/720120268.db2.gz HUZVUQZQMDMUPH-HNAYVOBHSA-N 1 0 375.904 2.495 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C)c1C#N)C2 ZINC001164809659 720120405 /nfs/dbraw/zinc/12/04/05/720120405.db2.gz HUZVUQZQMDMUPH-BEFAXECRSA-N 1 0 375.904 2.495 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(C#N)c[nH]c3n1)CCC2 ZINC001164811918 720227554 /nfs/dbraw/zinc/22/75/54/720227554.db2.gz APEDFTROQWPXNP-UHFFFAOYSA-N 1 0 391.479 2.242 20 30 GEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(C3(C#N)CCOCC3)cn2)C1 ZINC001164733090 720522708 /nfs/dbraw/zinc/52/27/08/720522708.db2.gz IQJYZLKPSCQCQK-QGZVFWFLSA-N 1 0 380.496 2.048 20 30 GEEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)CCC1 ZINC001164736715 720695394 /nfs/dbraw/zinc/69/53/94/720695394.db2.gz APPFHXOUZHHNPO-ROUUACIJSA-N 1 0 376.464 2.159 20 30 GEEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738060 720728257 /nfs/dbraw/zinc/72/82/57/720728257.db2.gz DONVZIGLKDOLMR-RTBURBONSA-N 1 0 393.567 2.442 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866970 721092915 /nfs/dbraw/zinc/09/29/15/721092915.db2.gz WAQSIEWOHAIBQP-MOPGFXCFSA-N 1 0 381.480 2.225 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893548 721387228 /nfs/dbraw/zinc/38/72/28/721387228.db2.gz VBPCMDZKSSZIAC-OXQOHEQNSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890936 721395668 /nfs/dbraw/zinc/39/56/68/721395668.db2.gz PKOZYZLWEFGKJU-JXFKEZNVSA-N 1 0 389.931 2.372 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)nc1C#N)CC2 ZINC001164788693 721464543 /nfs/dbraw/zinc/46/45/43/721464543.db2.gz VQGGANSXLOHPCF-IBGZPJMESA-N 1 0 399.539 2.391 20 30 GEEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C#N)c4ccccc4n2)CC3)CC1 ZINC001164796847 721518484 /nfs/dbraw/zinc/51/84/84/721518484.db2.gz DQNHNTRVHGZHNS-UHFFFAOYSA-N 1 0 387.491 2.071 20 30 GEEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001164933495 721887729 /nfs/dbraw/zinc/88/77/29/721887729.db2.gz MKFYRGCEKINRGH-OALUTQOASA-N 1 0 380.452 2.229 20 30 GEEDRO N#Cc1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982832 722106061 /nfs/dbraw/zinc/10/60/61/722106061.db2.gz PHIPQZADAAKYHI-DOTOQJQBSA-N 1 0 384.871 2.124 20 30 GEEDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)cc1C#N ZINC001164983343 722137619 /nfs/dbraw/zinc/13/76/19/722137619.db2.gz UMWWNOOTBDLDMA-APWZRJJASA-N 1 0 397.454 2.223 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000152187476 531536844 /nfs/dbraw/zinc/53/68/44/531536844.db2.gz AAUBDRLOAHCREZ-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155256741 531668658 /nfs/dbraw/zinc/66/86/58/531668658.db2.gz ZOGYEGXOUHQPNC-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO CN(CC(=O)N(CCC#N)CCC#N)[C@H](CO)c1cccc(Br)c1 ZINC000125651436 532139104 /nfs/dbraw/zinc/13/91/04/532139104.db2.gz QLCCRPMDPIGNKM-MRXNPFEDSA-N 1 0 393.285 2.070 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NCC1CCOCC1 ZINC000176336739 532134432 /nfs/dbraw/zinc/13/44/32/532134432.db2.gz WRWUOJKLXAUKRT-UHFFFAOYSA-N 1 0 384.274 2.269 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC[NH+](C)C ZINC000176812882 532150337 /nfs/dbraw/zinc/15/03/37/532150337.db2.gz VDEWPILCJMSCDZ-UHFFFAOYSA-N 1 0 384.274 2.118 20 30 GEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)nc1 ZINC000176781866 532149726 /nfs/dbraw/zinc/14/97/26/532149726.db2.gz HNOHWLHRWZVAON-UHFFFAOYSA-N 1 0 378.420 2.238 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCCS1 ZINC000132364242 532213940 /nfs/dbraw/zinc/21/39/40/532213940.db2.gz STIFGWPYQRFYLT-KRWDZBQOSA-N 1 0 378.567 2.480 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000179426825 532231492 /nfs/dbraw/zinc/23/14/92/532231492.db2.gz DOHISMIEVKNXIY-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO N#Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000181080818 532290839 /nfs/dbraw/zinc/29/08/39/532290839.db2.gz FSKITAIXLRBAOG-UHFFFAOYSA-N 1 0 391.313 2.061 20 30 GEEDRO C[C@@H]1SCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000182790030 532317555 /nfs/dbraw/zinc/31/75/55/532317555.db2.gz JMQWOQWPOQRGMD-JYJNAYRXSA-N 1 0 378.567 2.283 20 30 GEEDRO C[C@H]1CSCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000190482605 532356249 /nfs/dbraw/zinc/35/62/49/532356249.db2.gz RDFUGHVJYZQUJX-CVEARBPZSA-N 1 0 378.567 2.142 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294809540 532383968 /nfs/dbraw/zinc/38/39/68/532383968.db2.gz PPCNMIJXRPGFMJ-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000516812327 532393226 /nfs/dbraw/zinc/39/32/26/532393226.db2.gz LEAMHIUUHMPLTM-UHFFFAOYSA-N 1 0 392.294 2.470 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)ccc(Br)c1C#N ZINC000425765517 532394211 /nfs/dbraw/zinc/39/42/11/532394211.db2.gz ITAUKYHVUCLIRH-UHFFFAOYSA-N 1 0 393.285 2.168 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000591413706 532411208 /nfs/dbraw/zinc/41/12/08/532411208.db2.gz YPQJGNWMYAKZSE-CYBMUJFWSA-N 1 0 393.285 2.250 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000592300008 532446308 /nfs/dbraw/zinc/44/63/08/532446308.db2.gz GKLZBCBTAOXERX-CYBMUJFWSA-N 1 0 393.285 2.202 20 30 GEEDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000592375432 532452103 /nfs/dbraw/zinc/45/21/03/532452103.db2.gz KNKNNIWPRQKHBQ-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592374907 532451604 /nfs/dbraw/zinc/45/16/04/532451604.db2.gz PLYZXGRLUHTJFL-WFASDCNBSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@@H+]1C ZINC000592767272 532461954 /nfs/dbraw/zinc/46/19/54/532461954.db2.gz SGXSAXXQADWEDG-BLLLJJGKSA-N 1 0 391.313 2.356 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747742 532459650 /nfs/dbraw/zinc/45/96/50/532459650.db2.gz LSCFCEKLQFIQBI-INIZCTEOSA-N 1 0 391.313 2.357 20 30 GEEDRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000562289444 532460950 /nfs/dbraw/zinc/46/09/50/532460950.db2.gz BPPJNZRYPSFQIX-UHFFFAOYSA-N 1 0 394.317 2.470 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000593536762 532485155 /nfs/dbraw/zinc/48/51/55/532485155.db2.gz BDUKGZVFJCEABF-KRWDZBQOSA-N 1 0 394.313 2.216 20 30 GEEDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000593666803 532494810 /nfs/dbraw/zinc/49/48/10/532494810.db2.gz SQKVZGUFIJUPLA-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000237047960 532502126 /nfs/dbraw/zinc/50/21/26/532502126.db2.gz JNGDCKNSXVCHJH-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000296573733 532528812 /nfs/dbraw/zinc/52/88/12/532528812.db2.gz DIRWWNDFIPOCNB-JTQLQIEISA-N 1 0 390.278 2.032 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000594799216 532531954 /nfs/dbraw/zinc/53/19/54/532531954.db2.gz JMPRVXNVUOJINN-NSHDSACASA-N 1 0 386.315 2.472 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297344585 532583040 /nfs/dbraw/zinc/58/30/40/532583040.db2.gz PAKKUBVDKHXYDA-UHFFFAOYSA-N 1 0 394.277 2.191 20 30 GEEDRO CC[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCOC1 ZINC000262819941 532602510 /nfs/dbraw/zinc/60/25/10/532602510.db2.gz PPJHJVZQLHVXJU-GFCCVEGCSA-N 1 0 398.301 2.312 20 30 GEEDRO C[NH+]=C(NCc1nccn1C)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262842853 532603730 /nfs/dbraw/zinc/60/37/30/532603730.db2.gz XSSVSOZHJMWOJB-CQSZACIVSA-N 1 0 391.317 2.127 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337382 532605882 /nfs/dbraw/zinc/60/58/82/532605882.db2.gz FBFPYLVSSNTMAT-ZBFHGGJFSA-N 1 0 386.949 2.301 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000298153726 532628968 /nfs/dbraw/zinc/62/89/68/532628968.db2.gz BSWUUZTYFAOUIQ-QGZVFWFLSA-N 1 0 379.298 2.286 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000298153719 532629437 /nfs/dbraw/zinc/62/94/37/532629437.db2.gz BSWUUZTYFAOUIQ-KRWDZBQOSA-N 1 0 379.298 2.286 20 30 GEEDRO Cc1c(I)cccc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000531852384 532638231 /nfs/dbraw/zinc/63/82/31/532638231.db2.gz AKPURHSDPZBNQJ-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO N#Cc1ccc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000298402033 532648130 /nfs/dbraw/zinc/64/81/30/532648130.db2.gz KAILYJOHOSPQMF-UHFFFAOYSA-N 1 0 379.551 2.339 20 30 GEEDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1C(F)(F)F ZINC000600735947 532681496 /nfs/dbraw/zinc/68/14/96/532681496.db2.gz WOINZKYXADFMCH-LBPRGKRZSA-N 1 0 376.400 2.253 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000600744350 532682039 /nfs/dbraw/zinc/68/20/39/532682039.db2.gz BMXMUOMUFFGTSZ-SWLSCSKDSA-N 1 0 385.277 2.384 20 30 GEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000499989927 532729692 /nfs/dbraw/zinc/72/96/92/532729692.db2.gz VGSONNLEQIFAAP-OAHLLOKOSA-N 1 0 380.286 2.496 20 30 GEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C1=O ZINC000499938423 532729992 /nfs/dbraw/zinc/72/99/92/532729992.db2.gz JUQDKABLHZNNAR-OAHLLOKOSA-N 1 0 380.286 2.496 20 30 GEEDRO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1cc(Br)cn1C ZINC000268288767 532760575 /nfs/dbraw/zinc/76/05/75/532760575.db2.gz RDGTUSQBDFERCC-UHFFFAOYSA-N 1 0 375.270 2.407 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000286493814 532750906 /nfs/dbraw/zinc/75/09/06/532750906.db2.gz MTHFUNANXLDYMW-CYBMUJFWSA-N 1 0 394.313 2.393 20 30 GEEDRO CCCCCCCCNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269676768 532785812 /nfs/dbraw/zinc/78/58/12/532785812.db2.gz DDMSYNMAOCGKSS-CQSZACIVSA-N 1 0 375.560 2.148 20 30 GEEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000287227866 532786819 /nfs/dbraw/zinc/78/68/19/532786819.db2.gz NRACQSFLCBXNAL-CYBMUJFWSA-N 1 0 394.317 2.326 20 30 GEEDRO CC(=O)NCC[N@H+](CCC(=O)Nc1sccc1C#N)C1CCSCC1 ZINC000549080498 532794037 /nfs/dbraw/zinc/79/40/37/532794037.db2.gz VZZSHSKYHUIYKK-UHFFFAOYSA-N 1 0 380.539 2.282 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000330662322 532824289 /nfs/dbraw/zinc/82/42/89/532824289.db2.gz CZSVWUUAPISGAQ-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330675366 532824872 /nfs/dbraw/zinc/82/48/72/532824872.db2.gz SCJADWHOVLZRLU-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430355 532839356 /nfs/dbraw/zinc/83/93/56/532839356.db2.gz CAZRYNCMKPBEOZ-BONVTDFDSA-N 1 0 384.299 2.082 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000415282752 532840184 /nfs/dbraw/zinc/84/01/84/532840184.db2.gz QYRMNXDSYCQIDF-UHFFFAOYSA-N 1 0 379.258 2.037 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415646488 532852392 /nfs/dbraw/zinc/85/23/92/532852392.db2.gz MVOGWNSFOOQSIS-CHWSQXEVSA-N 1 0 396.285 2.339 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415787785 532857189 /nfs/dbraw/zinc/85/71/89/532857189.db2.gz RBHKHDBENPNLFE-NSHDSACASA-N 1 0 384.274 2.196 20 30 GEEDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000415839728 532859907 /nfs/dbraw/zinc/85/99/07/532859907.db2.gz ORTNPZYBBQCILI-VIFPVBQESA-N 1 0 375.244 2.179 20 30 GEEDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000415839150 532859915 /nfs/dbraw/zinc/85/99/15/532859915.db2.gz OICFFYKRYZYBIM-SECBINFHSA-N 1 0 375.244 2.179 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415847964 532860231 /nfs/dbraw/zinc/86/02/31/532860231.db2.gz XIIUSHJCQUPXSD-YPMHNXCESA-N 1 0 396.285 2.196 20 30 GEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Br)cc(Br)c2)n1 ZINC000289956479 532869004 /nfs/dbraw/zinc/86/90/04/532869004.db2.gz CFDRVSQIIHAMMK-UHFFFAOYSA-N 1 0 385.063 2.465 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419724370 532882814 /nfs/dbraw/zinc/88/28/14/532882814.db2.gz HBXNQGZFHIXJJL-CYBMUJFWSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1Cl ZINC000364187230 532904429 /nfs/dbraw/zinc/90/44/29/532904429.db2.gz ZZOGNDVJBFLMQV-DOTOQJQBSA-N 1 0 379.844 2.466 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000364208380 532904906 /nfs/dbraw/zinc/90/49/06/532904906.db2.gz RPTDMYISLPUHED-MRXNPFEDSA-N 1 0 390.325 2.489 20 30 GEEDRO N#Cc1c(Br)cccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000368177629 532930521 /nfs/dbraw/zinc/93/05/21/532930521.db2.gz QPKDYWFBQWKXMP-MRXNPFEDSA-N 1 0 377.286 2.239 20 30 GEEDRO CN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)S(=O)(=O)c1cccs1 ZINC000369842200 532941166 /nfs/dbraw/zinc/94/11/66/532941166.db2.gz SVXQMXOHEODKHV-JONQDZQNSA-N 1 0 383.539 2.198 20 30 GEEDRO CN1CCN(C2CCN(c3ccc(Br)cc3C#N)CC2)C(=O)C1 ZINC000371733625 532949462 /nfs/dbraw/zinc/94/94/62/532949462.db2.gz CFGKBGAGHPLAAV-UHFFFAOYSA-N 1 0 377.286 2.064 20 30 GEEDRO C=CC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819750646 599541216 /nfs/dbraw/zinc/54/12/16/599541216.db2.gz IGUGFORMJABZIA-UHFFFAOYSA-N 1 0 380.412 2.385 20 30 GEEDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000826159265 607490793 /nfs/dbraw/zinc/49/07/93/607490793.db2.gz ZNQQAWFOAFUDED-UHFFFAOYSA-N 1 0 378.436 2.396 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000819744191 606878568 /nfs/dbraw/zinc/87/85/68/606878568.db2.gz ZNMATLHOCUQEMV-KSSFIOAISA-N 1 0 381.484 2.047 20 30 GEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822826427 606896258 /nfs/dbraw/zinc/89/62/58/606896258.db2.gz XTTQVUHGRHONCS-HXUWFJFHSA-N 1 0 390.447 2.315 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000823914481 608544792 /nfs/dbraw/zinc/54/47/92/608544792.db2.gz JMXFNSMPTAYAST-GOSISDBHSA-N 1 0 379.420 2.186 20 30 GEEDRO N#Cc1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000448609423 650018291 /nfs/dbraw/zinc/01/82/91/650018291.db2.gz YKNFORXVIFSBSI-UHFFFAOYSA-N 1 0 391.313 2.174 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449748394 650048440 /nfs/dbraw/zinc/04/84/40/650048440.db2.gz LVHFPNSQLKWNHO-OLZOCXBDSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000449794485 650050539 /nfs/dbraw/zinc/05/05/39/650050539.db2.gz IATMZPHWGTTWMJ-UHFFFAOYSA-N 1 0 378.270 2.254 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449803672 650050815 /nfs/dbraw/zinc/05/08/15/650050815.db2.gz KSGQLAGACUXEGI-UHFFFAOYSA-N 1 0 393.285 2.394 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC000449804828 650051185 /nfs/dbraw/zinc/05/11/85/650051185.db2.gz TWVCKXGWIHQJDA-AWEZNQCLSA-N 1 0 378.270 2.396 20 30 GEEDRO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000450028637 650058617 /nfs/dbraw/zinc/05/86/17/650058617.db2.gz RSQCYJMZVICDDU-GXTWGEPZSA-N 1 0 380.286 2.238 20 30 GEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000449865596 650054678 /nfs/dbraw/zinc/05/46/78/650054678.db2.gz VSUCKSSYGBANFJ-MRXNPFEDSA-N 1 0 378.270 2.252 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000450077989 650059517 /nfs/dbraw/zinc/05/95/17/650059517.db2.gz VOEXMISDSRMPEP-DGCLKSJQSA-N 1 0 378.270 2.441 20 30 GEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1cccc(Br)c1C#N ZINC000450080188 650059671 /nfs/dbraw/zinc/05/96/71/650059671.db2.gz AUKHHVQULBXEKC-CYBMUJFWSA-N 1 0 398.301 2.173 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000452109582 650174309 /nfs/dbraw/zinc/17/43/09/650174309.db2.gz YJTHTLDDIGFHMG-CYBMUJFWSA-N 1 0 386.315 2.424 20 30 GEEDRO C=CCOCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475748445 650537077 /nfs/dbraw/zinc/53/70/77/650537077.db2.gz HVDZXKXBFXMJPP-UHFFFAOYSA-N 1 0 382.302 2.338 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517018906 650601691 /nfs/dbraw/zinc/60/16/91/650601691.db2.gz WIEXQKSVBWMNAW-CQSZACIVSA-N 1 0 384.299 2.180 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000487159597 650729997 /nfs/dbraw/zinc/72/99/97/650729997.db2.gz SIZHGZFIWFFMBM-UHFFFAOYSA-N 1 0 395.301 2.337 20 30 GEEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000063496961 642859428 /nfs/dbraw/zinc/85/94/28/642859428.db2.gz PQYUBAURHRBAFS-HNNXBMFYSA-N 1 0 383.901 2.439 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000065975229 642893851 /nfs/dbraw/zinc/89/38/51/642893851.db2.gz MGVYLWXPRFXOJI-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000110653642 643316508 /nfs/dbraw/zinc/31/65/08/643316508.db2.gz ITISUDKOFYXPPR-GFCCVEGCSA-N 1 0 396.285 2.166 20 30 GEEDRO N#Cc1ccc(NCCCC[NH+]2CCN(CCO)CC2)c(Br)c1 ZINC000119195673 643540859 /nfs/dbraw/zinc/54/08/59/643540859.db2.gz PDMVMFWLLDQRLF-UHFFFAOYSA-N 1 0 381.318 2.123 20 30 GEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(C)S(C)(=O)=O ZINC000123723392 643676138 /nfs/dbraw/zinc/67/61/38/643676138.db2.gz NCKNXCYAMZLINH-UHFFFAOYSA-N 1 0 383.539 2.192 20 30 GEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000123976478 643679365 /nfs/dbraw/zinc/67/93/65/643679365.db2.gz PJIYWXPDJJHDIH-ZDUSSCGKSA-N 1 0 382.496 2.042 20 30 GEEDRO CC[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000127162168 643760658 /nfs/dbraw/zinc/76/06/58/643760658.db2.gz BOHYGRNQGHVTSU-SJORKVTESA-N 1 0 393.329 2.498 20 30 GEEDRO C=C(Br)CNC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000154355438 644037918 /nfs/dbraw/zinc/03/79/18/644037918.db2.gz ONVXWTINYQZWOB-CQSZACIVSA-N 1 0 398.301 2.486 20 30 GEEDRO C[NH+]=C(NC[C@@H](C)Oc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158588641 644150870 /nfs/dbraw/zinc/15/08/70/644150870.db2.gz BWUNFHQSJTVDRF-CYBMUJFWSA-N 1 0 387.933 2.192 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000159030918 644173099 /nfs/dbraw/zinc/17/30/99/644173099.db2.gz CAGCMNDIGORNIT-ZDUSSCGKSA-N 1 0 379.507 2.416 20 30 GEEDRO C[NH+]=C(NCc1cccc(CO)c1)N(C)Cc1cc(Br)cn1C ZINC000179219059 644453449 /nfs/dbraw/zinc/45/34/49/644453449.db2.gz QBZFFFCQWDJZCH-UHFFFAOYSA-N 1 0 379.302 2.487 20 30 GEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000184270406 645014872 /nfs/dbraw/zinc/01/48/72/645014872.db2.gz BKNGACGDNUKFIN-LLVKDONJSA-N 1 0 377.222 2.335 20 30 GEEDRO C=CCNC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185880258 645056116 /nfs/dbraw/zinc/05/61/16/645056116.db2.gz HVBAPNLQDLPKKT-UHFFFAOYSA-N 1 0 377.080 2.186 20 30 GEEDRO C[NH+]=C(NCCc1csc(C)n1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261853682 645605944 /nfs/dbraw/zinc/60/59/44/645605944.db2.gz YITMQMYMRGRQIW-CYBMUJFWSA-N 1 0 378.933 2.486 20 30 GEEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN2Cc2ccc(I)cc2)N1 ZINC000261858107 645605983 /nfs/dbraw/zinc/60/59/83/645605983.db2.gz AATBCJSTRIULHH-DOMZBBRYSA-N 1 0 398.292 2.193 20 30 GEEDRO C[NH+]=C(NCC1(Sc2ccccc2)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261948078 645613932 /nfs/dbraw/zinc/61/39/32/645613932.db2.gz GLWZCVZRBOLLNT-UHFFFAOYSA-N 1 0 381.567 2.396 20 30 GEEDRO CC[NH+]=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261990795 645614962 /nfs/dbraw/zinc/61/49/62/645614962.db2.gz RFQGIYDXXKXIOF-UHFFFAOYSA-N 1 0 377.963 2.419 20 30 GEEDRO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N(C)Cc1cc(Br)cn1C ZINC000262334462 645627773 /nfs/dbraw/zinc/62/77/73/645627773.db2.gz VSECQAUYBUCAJL-UHFFFAOYSA-N 1 0 398.349 2.196 20 30 GEEDRO Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC[C@@H]3CCCO3)nc12 ZINC000262364965 645628981 /nfs/dbraw/zinc/62/89/81/645628981.db2.gz JYZLHAQJRIFMPH-AWEZNQCLSA-N 1 0 380.290 2.031 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NCc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000262453529 645630950 /nfs/dbraw/zinc/63/09/50/645630950.db2.gz KLIBXCRIQHZCQG-SNVBAGLBSA-N 1 0 380.246 2.035 20 30 GEEDRO CSCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262469537 645631829 /nfs/dbraw/zinc/63/18/29/645631829.db2.gz YTXCBMDHTITTOH-MRXNPFEDSA-N 1 0 387.615 2.386 20 30 GEEDRO C[NH+]=C(NCc1cc(OC)ccc1Br)N[C@@H]1CCN(C2CC2)C1 ZINC000262821732 645645987 /nfs/dbraw/zinc/64/59/87/645645987.db2.gz SQDWZGIKHSGGKT-CYBMUJFWSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278190416 646500939 /nfs/dbraw/zinc/50/09/39/646500939.db2.gz GKLNJZSQVXXYJO-ZDUSSCGKSA-N 1 0 386.880 2.156 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000278611830 646530622 /nfs/dbraw/zinc/53/06/22/646530622.db2.gz BPSYBBWBIKRMLZ-XJKSGUPXSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000278877026 646560230 /nfs/dbraw/zinc/56/02/30/646560230.db2.gz SHEJFXCQLFROCG-WCQYABFASA-N 1 0 386.315 2.424 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278917903 646562310 /nfs/dbraw/zinc/56/23/10/646562310.db2.gz WIKMASQBWOKUDL-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C#CCSCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280556757 646694924 /nfs/dbraw/zinc/69/49/24/646694924.db2.gz JFAIDAQZIZGGPM-SNVBAGLBSA-N 1 0 377.329 2.114 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287773830 646897062 /nfs/dbraw/zinc/89/70/62/646897062.db2.gz VBBIQRSLLONVDA-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO Cn1c(Sc2ncc(Br)cc2C#N)nnc1[C@H]1CCC[NH2+]C1 ZINC000296987879 647258284 /nfs/dbraw/zinc/25/82/84/647258284.db2.gz FCBYTKYWVKNKFK-VIFPVBQESA-N 1 0 379.287 2.462 20 30 GEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)NCCc1ccccc1 ZINC000303864758 647278561 /nfs/dbraw/zinc/27/85/61/647278561.db2.gz BEXYWWYBUQGZMD-UHFFFAOYSA-N 1 0 389.297 2.326 20 30 GEEDRO [NH2+]=C(NCCNC(=O)c1cccc(Br)c1)NCCc1ccccc1 ZINC000303975072 647278711 /nfs/dbraw/zinc/27/87/11/647278711.db2.gz IMNZUBVZTZOIKG-UHFFFAOYSA-N 1 0 389.297 2.326 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCCOCc1ccc(Cl)cc1Cl ZINC000305772224 647279031 /nfs/dbraw/zinc/27/90/31/647279031.db2.gz HTNFXHLQCFBKOE-UHFFFAOYSA-N 1 0 389.327 2.137 20 30 GEEDRO C[NH+]=C(NCCOCc1ccc(Cl)cc1Cl)NCCN1CCOCC1 ZINC000305781463 647279101 /nfs/dbraw/zinc/27/91/01/647279101.db2.gz OYSXVHYDZBKFPZ-UHFFFAOYSA-N 1 0 389.327 2.007 20 30 GEEDRO [NH2+]=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCC1CCC1 ZINC000305705237 647279165 /nfs/dbraw/zinc/27/91/65/647279165.db2.gz CSOXBSBOQAEKIA-UHFFFAOYSA-N 1 0 379.404 2.063 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000333627592 647477351 /nfs/dbraw/zinc/47/73/51/647477351.db2.gz GBYCAJFOTOHSKP-RDJZCZTQSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000408395026 647951925 /nfs/dbraw/zinc/95/19/25/647951925.db2.gz LXATWANXXCYHOQ-HUUCEWRRSA-N 1 0 384.299 2.226 20 30 GEEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416516878 648156092 /nfs/dbraw/zinc/15/60/92/648156092.db2.gz AQMDMQXTBLSIRQ-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419684928 648364344 /nfs/dbraw/zinc/36/43/44/648364344.db2.gz MKZZLGIANTUSRL-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000420740892 648446570 /nfs/dbraw/zinc/44/65/70/648446570.db2.gz GZCIVFCCXAFXCR-UHFFFAOYSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C[NH3+] ZINC000422554582 648558693 /nfs/dbraw/zinc/55/86/93/648558693.db2.gz MRWHSTDSZHJZFQ-WOPDTQHZSA-N 1 0 386.315 2.315 20 30 GEEDRO COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Br)cc1 ZINC000424088470 648611791 /nfs/dbraw/zinc/61/17/91/648611791.db2.gz JGOZJPHUBZVRCP-ZIAGYGMSSA-N 1 0 382.258 2.191 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000557823092 651273942 /nfs/dbraw/zinc/27/39/42/651273942.db2.gz SOQARZGTYXQQPY-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000734244925 651740296 /nfs/dbraw/zinc/74/02/96/651740296.db2.gz ZGEHBLUDPDPKDU-HNNXBMFYSA-N 1 0 383.901 2.133 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000570392479 651764661 /nfs/dbraw/zinc/76/46/61/651764661.db2.gz JPOHBQZNIVVZNY-GFCCVEGCSA-N 1 0 380.221 2.938 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618998172 652041675 /nfs/dbraw/zinc/04/16/75/652041675.db2.gz IMGIXWNMNIRXEF-ZDUSSCGKSA-N 1 0 386.315 2.473 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000746502459 652111387 /nfs/dbraw/zinc/11/13/87/652111387.db2.gz PQTVUIGYCPFGHB-UHFFFAOYSA-N 1 0 390.325 2.195 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000747816755 652179765 /nfs/dbraw/zinc/17/97/65/652179765.db2.gz UXSDYJAITQUUIY-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000748672360 652211112 /nfs/dbraw/zinc/21/11/12/652211112.db2.gz SRLMLBCAXRQPFE-UHFFFAOYSA-N 1 0 376.400 2.351 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000581226534 652406920 /nfs/dbraw/zinc/40/69/20/652406920.db2.gz ALDHDXCAXMYLPU-UHFFFAOYSA-N 1 0 378.270 2.492 20 30 GEEDRO [NH3+]C[C@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000627021571 652412565 /nfs/dbraw/zinc/41/25/65/652412565.db2.gz WEBZDPAONKUITE-IUCAKERBSA-N 1 0 383.308 2.072 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000758072938 652530153 /nfs/dbraw/zinc/53/01/53/652530153.db2.gz UYGREBRHRXAQSO-UHFFFAOYSA-N 1 0 385.249 2.457 20 30 GEEDRO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000589278351 652564418 /nfs/dbraw/zinc/56/44/18/652564418.db2.gz AGNJNDPYGFZJOX-AWEZNQCLSA-N 1 0 376.507 2.205 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000593733492 652634103 /nfs/dbraw/zinc/63/41/03/652634103.db2.gz VDIJCEADOZFSLF-XYPHTWIQSA-N 1 0 383.901 2.261 20 30 GEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1CC[NH3+] ZINC000593736411 652634253 /nfs/dbraw/zinc/63/42/53/652634253.db2.gz RURXAMLAZZSGPA-NHYWBVRUSA-N 1 0 386.315 2.459 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436453 652649033 /nfs/dbraw/zinc/64/90/33/652649033.db2.gz JHBFDKVZGNTZAO-ZDUSSCGKSA-N 1 0 381.274 2.224 20 30 GEEDRO COc1cc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc(Br)c1OC ZINC000594436062 652649199 /nfs/dbraw/zinc/64/91/99/652649199.db2.gz HHOBFHOARKMVQB-CYBMUJFWSA-N 1 0 384.274 2.494 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000594440786 652649828 /nfs/dbraw/zinc/64/98/28/652649828.db2.gz ZLTKHNPMUDQLJP-OAHLLOKOSA-N 1 0 395.301 2.096 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1ccc(I)cc1 ZINC000595258855 652711796 /nfs/dbraw/zinc/71/17/96/652711796.db2.gz FDFVYFSSTCQUPF-AWEZNQCLSA-N 1 0 385.249 2.361 20 30 GEEDRO Cc1nc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)cc1C#N ZINC000596285379 652757827 /nfs/dbraw/zinc/75/78/27/652757827.db2.gz JSERNVOMPIJNBS-UHFFFAOYSA-N 1 0 393.285 2.146 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000764499654 652802609 /nfs/dbraw/zinc/80/26/09/652802609.db2.gz QFMOJGUXUWSYPV-KRWDZBQOSA-N 1 0 391.313 2.276 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000598614876 652824254 /nfs/dbraw/zinc/82/42/54/652824254.db2.gz GJJHWMSOWPVRPW-LLVKDONJSA-N 1 0 377.436 2.370 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000599102186 652849638 /nfs/dbraw/zinc/84/96/38/652849638.db2.gz OZCIIUOUQNKIGM-PWSUYJOCSA-N 1 0 381.807 2.359 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CCOCC1 ZINC000599291817 652859828 /nfs/dbraw/zinc/85/98/28/652859828.db2.gz RRIMXSAQBBBUCX-MRXNPFEDSA-N 1 0 397.317 2.354 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106775 652904095 /nfs/dbraw/zinc/90/40/95/652904095.db2.gz HZXYUMUXEPZBHV-UHFFFAOYSA-N 1 0 392.297 2.186 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640384881 653124211 /nfs/dbraw/zinc/12/42/11/653124211.db2.gz VPEBJTBLRKNUDN-UHFFFAOYSA-N 1 0 385.362 2.964 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000807915603 653211483 /nfs/dbraw/zinc/21/14/83/653211483.db2.gz DKRHHVOLVFUJIT-UHFFFAOYSA-N 1 0 386.334 2.171 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823605 653338427 /nfs/dbraw/zinc/33/84/27/653338427.db2.gz BFZZVIAGYGNCAK-HZPDHXFCSA-N 1 0 378.270 2.395 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635352 653439667 /nfs/dbraw/zinc/43/96/67/653439667.db2.gz VNDLLUFNRBKVLB-CYBMUJFWSA-N 1 0 388.693 2.155 20 30 GEEDRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859327461 653441852 /nfs/dbraw/zinc/44/18/52/653441852.db2.gz SDIVKSMSWWOPEG-YOEHRIQHSA-N 1 0 397.313 2.486 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000876785253 653447888 /nfs/dbraw/zinc/44/78/88/653447888.db2.gz RVEJLLFUCDEEHM-UKRRQHHQSA-N 1 0 386.949 2.355 20 30 GEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1ncc(Br)s1 ZINC000877267174 653474052 /nfs/dbraw/zinc/47/40/52/653474052.db2.gz ZGBGFSNRWNHXMJ-AWEZNQCLSA-N 1 0 377.267 2.280 20 30 GEEDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C#N)cnc2Cl)CC1 ZINC000877535909 653611291 /nfs/dbraw/zinc/61/12/91/653611291.db2.gz UIWHMVCOKPVZKB-CYBMUJFWSA-N 1 0 384.933 2.489 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000840952186 653703404 /nfs/dbraw/zinc/70/34/04/653703404.db2.gz VGUAQLWAOYWPDH-UHFFFAOYSA-N 1 0 385.327 2.356 20 30 GEEDRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841176675 653709083 /nfs/dbraw/zinc/70/90/83/653709083.db2.gz MPUZNQNZVVRDME-FZMZJTMJSA-N 1 0 397.273 2.097 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000785559806 653712376 /nfs/dbraw/zinc/71/23/76/653712376.db2.gz GBGOHXJKCKIPTJ-UHFFFAOYSA-N 1 0 382.302 2.169 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000818584471 653734000 /nfs/dbraw/zinc/73/40/00/653734000.db2.gz NXVWWTWBONRLJG-VOTSOKGWSA-N 1 0 381.270 2.248 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000818588708 653734073 /nfs/dbraw/zinc/73/40/73/653734073.db2.gz CPRMFJYODCGWPR-UHFFFAOYSA-N 1 0 381.929 2.325 20 30 GEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)nc1 ZINC000818952096 653739211 /nfs/dbraw/zinc/73/92/11/653739211.db2.gz DJPZPQLBTRDADF-OAHLLOKOSA-N 1 0 391.269 2.157 20 30 GEEDRO C#C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000820610645 653777904 /nfs/dbraw/zinc/77/79/04/653777904.db2.gz CKTYFQYCWAUMPM-KRWDZBQOSA-N 1 0 395.345 2.306 20 30 GEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000843098310 653779363 /nfs/dbraw/zinc/77/93/63/653779363.db2.gz VVNADWZUKKDXCY-DOTOQJQBSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866015342 653783326 /nfs/dbraw/zinc/78/33/26/653783326.db2.gz NJPKWARCCMDXEV-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO Brc1n[nH]c(Br)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000793033482 653863178 /nfs/dbraw/zinc/86/31/78/653863178.db2.gz BSUKZLNDWUELQH-HTQZYQBOSA-N 1 0 390.083 2.129 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1ccccc1Br ZINC000884155541 653866274 /nfs/dbraw/zinc/86/62/74/653866274.db2.gz FFOJYLFNRKMHML-CZJPOVKDSA-N 1 0 392.297 2.472 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccc(I)cc1 ZINC000793141582 653868092 /nfs/dbraw/zinc/86/80/92/653868092.db2.gz OPMIVCPDXUDPCR-HNNXBMFYSA-N 1 0 383.229 2.475 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824559179 653901778 /nfs/dbraw/zinc/90/17/78/653901778.db2.gz JGTSOSQJCMVHRD-QGZVFWFLSA-N 1 0 381.314 2.398 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376188 653973247 /nfs/dbraw/zinc/97/32/47/653973247.db2.gz MUDOUXKFTXOUFT-GBIKHYSHSA-N 1 0 395.301 2.431 20 30 GEEDRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848400058 653974372 /nfs/dbraw/zinc/97/43/72/653974372.db2.gz BGDAKDOEYOAJIA-ZDUSSCGKSA-N 1 0 387.889 2.113 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000867813023 653991681 /nfs/dbraw/zinc/99/16/81/653991681.db2.gz PCONZDJISUKXKC-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)C(F)(F)c1ncccc1Br)C1CC[NH+](C)CC1 ZINC000886572521 653992049 /nfs/dbraw/zinc/99/20/49/653992049.db2.gz OYZOYDNQQZRRNI-UHFFFAOYSA-N 1 0 386.240 2.492 20 30 GEEDRO C#CCN(C(=O)[C@@H]1COc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000886579711 653992641 /nfs/dbraw/zinc/99/26/41/653992641.db2.gz FZISDXRRCWOELB-MRXNPFEDSA-N 1 0 377.282 2.481 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000827642456 654001527 /nfs/dbraw/zinc/00/15/27/654001527.db2.gz DBXNWGVRIMFNCN-UHFFFAOYSA-N 1 0 393.734 2.477 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000827643028 654001619 /nfs/dbraw/zinc/00/16/19/654001619.db2.gz JHWZCOGMIWIQOD-UHFFFAOYSA-N 1 0 398.326 2.174 20 30 GEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC=C(Br)C1 ZINC000828431589 654035822 /nfs/dbraw/zinc/03/58/22/654035822.db2.gz RWONECBTOSGANJ-CABCVRRESA-N 1 0 394.317 2.489 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000829582645 654073237 /nfs/dbraw/zinc/07/32/37/654073237.db2.gz ORVUOHDJSCUWAR-DZGCQCFKSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000830163055 654102766 /nfs/dbraw/zinc/10/27/66/654102766.db2.gz UEPCWEGQCYUZOS-AWEZNQCLSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830515449 654123482 /nfs/dbraw/zinc/12/34/82/654123482.db2.gz XGPPIYFGYMXOEA-OAHLLOKOSA-N 1 0 396.272 2.295 20 30 GEEDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(C#N)ccn1 ZINC000902800470 654198514 /nfs/dbraw/zinc/19/85/14/654198514.db2.gz OMHBIOGAEZJOFX-NSHDSACASA-N 1 0 376.404 2.165 20 30 GEEDRO N#Cc1nc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1Br ZINC000902904463 654202717 /nfs/dbraw/zinc/20/27/17/654202717.db2.gz KQPUYIOQXXDPTA-WCQYABFASA-N 1 0 396.314 2.417 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000903498528 654242015 /nfs/dbraw/zinc/24/20/15/654242015.db2.gz AMXYNPZLRKUJRY-CHWSQXEVSA-N 1 0 398.326 2.331 20 30 GEEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000903508166 654243604 /nfs/dbraw/zinc/24/36/04/654243604.db2.gz XPADURWRICZBSV-GJZGRUSLSA-N 1 0 377.491 2.052 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871813590 654263981 /nfs/dbraw/zinc/26/39/81/654263981.db2.gz VCZRPYKSPFRNAL-SMDDNHRTSA-N 1 0 375.416 2.245 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246973 654319578 /nfs/dbraw/zinc/31/95/78/654319578.db2.gz IDMFQNIYXBBFRA-QGZVFWFLSA-N 1 0 378.881 2.179 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000872351880 654324952 /nfs/dbraw/zinc/32/49/52/654324952.db2.gz VIBCQHVNJOBBRP-UHFFFAOYSA-N 1 0 377.392 2.363 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921834930 654329395 /nfs/dbraw/zinc/32/93/95/654329395.db2.gz ZEKWDIQKECRRKF-IUODEOHRSA-N 1 0 386.315 2.128 20 30 GEEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834505674 654330912 /nfs/dbraw/zinc/33/09/12/654330912.db2.gz MQOWDSKMCQAIIS-TZMCWYRMSA-N 1 0 378.263 2.388 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000922360768 654386674 /nfs/dbraw/zinc/38/66/74/654386674.db2.gz NFAARCIDNBLOIW-HNNXBMFYSA-N 1 0 396.260 2.419 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000922632123 654404910 /nfs/dbraw/zinc/40/49/10/654404910.db2.gz YYCCREBKLKZCOP-OAHLLOKOSA-N 1 0 394.317 2.431 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906592026 654451913 /nfs/dbraw/zinc/45/19/13/654451913.db2.gz JOGYACMVXHIFSF-UHFFFAOYSA-N 1 0 380.286 2.326 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000906832802 654477315 /nfs/dbraw/zinc/47/73/15/654477315.db2.gz CYZIOFQDJZYPKH-LLVKDONJSA-N 1 0 384.299 2.083 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)s1 ZINC000924978556 654530136 /nfs/dbraw/zinc/53/01/36/654530136.db2.gz WZFUVZCHJWZURB-NEPJUHHUSA-N 1 0 375.947 2.020 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219510 654563641 /nfs/dbraw/zinc/56/36/41/654563641.db2.gz POIOKUYOWSGWMG-HQJQHLMTSA-N 1 0 390.612 2.178 20 30 GEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000907855957 654583823 /nfs/dbraw/zinc/58/38/23/654583823.db2.gz QFNHGNVYKUVSOR-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000928648292 654654129 /nfs/dbraw/zinc/65/41/29/654654129.db2.gz JMFYGTHMKKFRLP-SJORKVTESA-N 1 0 392.297 2.136 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000928660182 654655182 /nfs/dbraw/zinc/65/51/82/654655182.db2.gz LGMPVRGLGWVYEI-UHFFFAOYSA-N 1 0 379.298 2.222 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)nc1C ZINC000912213874 654746304 /nfs/dbraw/zinc/74/63/04/654746304.db2.gz JBPMUDOCLCDJHU-YTWAJWBKSA-N 1 0 376.511 2.107 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942517 654794990 /nfs/dbraw/zinc/79/49/90/654794990.db2.gz HTHOINVIWSBPIV-DTORHVGOSA-N 1 0 378.263 2.229 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934498874 654851418 /nfs/dbraw/zinc/85/14/18/654851418.db2.gz HGQUXBAURGZGTB-IAGOWNOFSA-N 1 0 382.302 2.301 20 30 GEEDRO CC(C)n1nc(CN(C)C)c2c1CN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2 ZINC001164647038 719307138 /nfs/dbraw/zinc/30/71/38/719307138.db2.gz JUZOXGIJNNNCJI-UHFFFAOYSA-N 1 0 393.539 2.391 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164685178 719711755 /nfs/dbraw/zinc/71/17/55/719711755.db2.gz RTHJOHHZPZLISS-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164823801 720311598 /nfs/dbraw/zinc/31/15/98/720311598.db2.gz PXBOPPUUZNNYQL-WOJBJXKFSA-N 1 0 381.524 2.482 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001164830790 720335607 /nfs/dbraw/zinc/33/56/07/720335607.db2.gz PXTRLVWAWSOMTL-WOJBJXKFSA-N 1 0 392.507 2.346 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826516 720342099 /nfs/dbraw/zinc/34/20/99/720342099.db2.gz KFHJECXCCUOZKS-PMACEKPBSA-N 1 0 381.524 2.368 20 30 GEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)C1 ZINC001164734835 720520406 /nfs/dbraw/zinc/52/04/06/720520406.db2.gz RQTRGZPRDQPWGZ-HNNXBMFYSA-N 1 0 395.511 2.332 20 30 GEEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164840331 720716586 /nfs/dbraw/zinc/71/65/86/720716586.db2.gz PIHCMXXUIFSSMG-SFHVURJKSA-N 1 0 388.475 2.480 20 30 GEEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739354 720754219 /nfs/dbraw/zinc/75/42/19/720754219.db2.gz IJHYPKFBAIYHQE-MOPGFXCFSA-N 1 0 399.458 2.147 20 30 GEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737424 720817871 /nfs/dbraw/zinc/81/78/71/720817871.db2.gz AZTCWTYQGUWXNQ-VAMGGRTRSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@H]2C1 ZINC001164865107 720873018 /nfs/dbraw/zinc/87/30/18/720873018.db2.gz YKTPXAPCINFHNP-FPOVZHCZSA-N 1 0 393.491 2.189 20 30 GEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@H]3C2)cn1 ZINC001164769881 721126594 /nfs/dbraw/zinc/12/65/94/721126594.db2.gz PXTGGJFGQONMHB-RHSMWYFYSA-N 1 0 381.871 2.170 20 30 GEEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCC2 ZINC001164877654 721144671 /nfs/dbraw/zinc/14/46/71/721144671.db2.gz PPCMELRBBKLISL-UXHICEINSA-N 1 0 375.476 2.317 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890990 721385941 /nfs/dbraw/zinc/38/59/41/721385941.db2.gz PZBBVCAYJXEVHN-XLIONFOSSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890941 721395656 /nfs/dbraw/zinc/39/56/56/721395656.db2.gz PKOZYZLWEFGKJU-OXQOHEQNSA-N 1 0 389.931 2.372 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(C#N)cn1)CC2 ZINC001164785216 721453057 /nfs/dbraw/zinc/45/30/57/721453057.db2.gz HJOGAIHCYLSWQO-LJQANCHMSA-N 1 0 385.512 2.082 20 30 GEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001164926929 721873138 /nfs/dbraw/zinc/87/31/38/721873138.db2.gz SXMORCVYCZBERW-MSOLQXFVSA-N 1 0 384.528 2.152 20 30 GEEDRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164982595 722119969 /nfs/dbraw/zinc/11/99/69/722119969.db2.gz XHVIMLOTNGGMFG-WMZOPIPTSA-N 1 0 398.898 2.432 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155272651 531669914 /nfs/dbraw/zinc/66/99/14/531669914.db2.gz GSGBOKCKVWDLCP-KGLIPLIRSA-N 1 0 386.315 2.472 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157341604 531741039 /nfs/dbraw/zinc/74/10/39/531741039.db2.gz OXIAKLZJRROEAN-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000054394213 531778120 /nfs/dbraw/zinc/77/81/20/531778120.db2.gz WBRXEDBYYPMEAZ-UHFFFAOYSA-N 1 0 396.285 2.056 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000122076618 532056184 /nfs/dbraw/zinc/05/61/84/532056184.db2.gz ZYVUTHBBGVVLDZ-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000177005391 532158851 /nfs/dbraw/zinc/15/88/51/532158851.db2.gz HDJSODFHUFCLCY-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184507702 532333208 /nfs/dbraw/zinc/33/32/08/532333208.db2.gz AFEYYQSILUQTFL-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191810932 532368057 /nfs/dbraw/zinc/36/80/57/532368057.db2.gz DZDRRKZWDKCOJS-UHFFFAOYSA-N 1 0 393.329 2.211 20 30 GEEDRO C=C(C)CNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425776590 532395240 /nfs/dbraw/zinc/39/52/40/532395240.db2.gz YVOFBWVVSAIQEX-UHFFFAOYSA-N 1 0 397.317 2.078 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc(Br)c1C#N ZINC000425733060 532391245 /nfs/dbraw/zinc/39/12/45/532391245.db2.gz AEVSRFTXOGAPCD-CMPLNLGQSA-N 1 0 393.285 2.167 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc(Br)c1C#N ZINC000425792004 532397388 /nfs/dbraw/zinc/39/73/88/532397388.db2.gz XQMIRRSOZMZYRM-LLVKDONJSA-N 1 0 395.301 2.413 20 30 GEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1C#N ZINC000295135985 532407504 /nfs/dbraw/zinc/40/75/04/532407504.db2.gz DANIYAPIBSQLRD-CYBMUJFWSA-N 1 0 379.302 2.077 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000592753265 532458839 /nfs/dbraw/zinc/45/88/39/532458839.db2.gz MFHLIFHPPMGNNR-OAHLLOKOSA-N 1 0 389.297 2.110 20 30 GEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc(Br)cc1C#N ZINC000295581224 532460468 /nfs/dbraw/zinc/46/04/68/532460468.db2.gz SAUUTVQFQLARMC-AWEZNQCLSA-N 1 0 380.290 2.070 20 30 GEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc(Br)cc1C#N ZINC000295581226 532460762 /nfs/dbraw/zinc/46/07/62/532460762.db2.gz SAUUTVQFQLARMC-CQSZACIVSA-N 1 0 380.290 2.070 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562840920 532486801 /nfs/dbraw/zinc/48/68/01/532486801.db2.gz IZWBCRULAREICT-RDJZCZTQSA-N 1 0 383.901 2.119 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000374399385 532500987 /nfs/dbraw/zinc/50/09/87/532500987.db2.gz BHRZJRWLPJADQM-JKSUJKDBSA-N 1 0 384.571 2.276 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595088446 532543512 /nfs/dbraw/zinc/54/35/12/532543512.db2.gz CDFXQQYIBSUBLH-CYBMUJFWSA-N 1 0 393.285 2.248 20 30 GEEDRO CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000246012394 532529722 /nfs/dbraw/zinc/52/97/22/532529722.db2.gz YTYMQMMLPNPMRX-HZPDHXFCSA-N 1 0 378.567 2.284 20 30 GEEDRO CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1Cl ZINC000433066280 532553922 /nfs/dbraw/zinc/55/39/22/532553922.db2.gz IXDPNNODBQBMPZ-UHFFFAOYSA-N 1 0 379.869 2.370 20 30 GEEDRO C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 ZINC000283764699 532554804 /nfs/dbraw/zinc/55/48/04/532554804.db2.gz IHSWLRZDERIPCZ-UHFFFAOYSA-N 1 0 390.285 2.008 20 30 GEEDRO C[C@H]1CSCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000249076692 532560401 /nfs/dbraw/zinc/56/04/01/532560401.db2.gz RDFUGHVJYZQUJX-HZPDHXFCSA-N 1 0 378.567 2.142 20 30 GEEDRO C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@]1(O)CCSC1 ZINC000262044230 532583274 /nfs/dbraw/zinc/58/32/74/532583274.db2.gz YSUQHLIRTDQPOF-UKRRQHHQSA-N 1 0 378.325 2.060 20 30 GEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297243980 532576206 /nfs/dbraw/zinc/57/62/06/532576206.db2.gz UXKBMDIYUFAWGN-INIZCTEOSA-N 1 0 378.318 2.322 20 30 GEEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262657582 532596375 /nfs/dbraw/zinc/59/63/75/532596375.db2.gz KXKZBGJSJRPPBM-ZDUSSCGKSA-N 1 0 393.329 2.267 20 30 GEEDRO C[NH+](C)C1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 ZINC000597153834 532612529 /nfs/dbraw/zinc/61/25/29/532612529.db2.gz MUACYHBBHHCASX-MRXNPFEDSA-N 1 0 391.313 2.252 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000567861610 532667380 /nfs/dbraw/zinc/66/73/80/532667380.db2.gz HKGHBEHOTVQIFO-ZIAGYGMSSA-N 1 0 398.326 2.331 20 30 GEEDRO CC(=O)N1CCN(CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000264066254 532659357 /nfs/dbraw/zinc/65/93/57/532659357.db2.gz BEYUIQWMLHFTDQ-GFCCVEGCSA-N 1 0 386.327 2.123 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734837 532679386 /nfs/dbraw/zinc/67/93/86/532679386.db2.gz QPHGCBKCQDGFJM-LSDHHAIUSA-N 1 0 378.270 2.199 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000600722173 532680124 /nfs/dbraw/zinc/68/01/24/532680124.db2.gz GSRNPVWLSFXBPG-OAHLLOKOSA-N 1 0 380.286 2.213 20 30 GEEDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603394291 532692573 /nfs/dbraw/zinc/69/25/73/532692573.db2.gz WVRXAYBGIXLCLJ-UHFFFAOYSA-N 1 0 394.317 2.460 20 30 GEEDRO Cc1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000267526289 532744395 /nfs/dbraw/zinc/74/43/95/532744395.db2.gz IGNWKLHFEHOYSQ-UHFFFAOYSA-N 1 0 378.523 2.384 20 30 GEEDRO CS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000502840653 532740893 /nfs/dbraw/zinc/74/08/93/532740893.db2.gz DCDQUJHZLQYCEP-HNNXBMFYSA-N 1 0 383.901 2.439 20 30 GEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594645 532757831 /nfs/dbraw/zinc/75/78/31/532757831.db2.gz QUOXXEQALJGACP-IRXDYDNUSA-N 1 0 380.286 2.055 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000451608447 532766433 /nfs/dbraw/zinc/76/64/33/532766433.db2.gz SEWSJLUQLCDDQS-KGLIPLIRSA-N 1 0 386.233 2.471 20 30 GEEDRO COc1ccc(NC(=[NH2+])NCCCn2cc(Br)cn2)cc1OC ZINC000287204864 532786052 /nfs/dbraw/zinc/78/60/52/532786052.db2.gz MBPNPLNCSZZNJX-UHFFFAOYSA-N 1 0 382.262 2.480 20 30 GEEDRO Cc1nc(N2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)sc1C ZINC000328664959 532794439 /nfs/dbraw/zinc/79/44/39/532794439.db2.gz CCACPPUVPWYPBG-QGZVFWFLSA-N 1 0 383.587 2.233 20 30 GEEDRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329392739 532806633 /nfs/dbraw/zinc/80/66/33/532806633.db2.gz SHCPPJPGUCHVPF-QWHCGFSZSA-N 1 0 379.448 2.324 20 30 GEEDRO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)nc12 ZINC000329564692 532808599 /nfs/dbraw/zinc/80/85/99/532808599.db2.gz KGMKIJXKKRKBQC-OAHLLOKOSA-N 1 0 392.301 2.252 20 30 GEEDRO O=C(CN1CCSC[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000329610144 532809191 /nfs/dbraw/zinc/80/91/91/532809191.db2.gz BYNUFMRQLLMAOJ-QGZVFWFLSA-N 1 0 381.567 2.233 20 30 GEEDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1I ZINC000331291641 532837162 /nfs/dbraw/zinc/83/71/62/532837162.db2.gz BLXUCBRJSUCIAQ-LBPRGKRZSA-N 1 0 388.249 2.443 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600587 532841564 /nfs/dbraw/zinc/84/15/64/532841564.db2.gz ZEFMPTZJBMQHBR-QMTHXVAHSA-N 1 0 384.299 2.082 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415338206 532841650 /nfs/dbraw/zinc/84/16/50/532841650.db2.gz VZDBLRKEMNLFDV-LBPRGKRZSA-N 1 0 396.285 2.068 20 30 GEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000289011625 532844514 /nfs/dbraw/zinc/84/45/14/532844514.db2.gz ZVBYUNAQAVEGEA-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415434551 532845491 /nfs/dbraw/zinc/84/54/91/532845491.db2.gz INCFYKGWULYJJM-YPMHNXCESA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415660382 532852510 /nfs/dbraw/zinc/85/25/10/532852510.db2.gz NQBTXHBKROQHEB-DGCLKSJQSA-N 1 0 396.285 2.209 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415660384 532852676 /nfs/dbraw/zinc/85/26/76/532852676.db2.gz NQBTXHBKROQHEB-YPMHNXCESA-N 1 0 396.285 2.209 20 30 GEEDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000415839727 532859825 /nfs/dbraw/zinc/85/98/25/532859825.db2.gz ORTNPZYBBQCILI-SECBINFHSA-N 1 0 375.244 2.179 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000333144526 532864699 /nfs/dbraw/zinc/86/46/99/532864699.db2.gz ZLUFIJILQWFHOB-QGZVFWFLSA-N 1 0 378.270 2.254 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000416368997 532872007 /nfs/dbraw/zinc/87/20/07/532872007.db2.gz IGBAMPOBBJNFHG-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000277042431 532906519 /nfs/dbraw/zinc/90/65/19/532906519.db2.gz PFGMTKAMISZQAI-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000277042433 532906609 /nfs/dbraw/zinc/90/66/09/532906609.db2.gz PFGMTKAMISZQAI-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292064878 532912424 /nfs/dbraw/zinc/91/24/24/532912424.db2.gz PDFJQCISLBWJBB-OAHLLOKOSA-N 1 0 384.299 2.037 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000292386453 532915760 /nfs/dbraw/zinc/91/57/60/532915760.db2.gz KAQYDEIPLHYMGX-SJKOYZFVSA-N 1 0 377.491 2.081 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000366939910 532922061 /nfs/dbraw/zinc/92/20/61/532922061.db2.gz BMMQTPQKAZJWCX-MRXNPFEDSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](Cc2cccs2)CC1 ZINC000367717451 532926656 /nfs/dbraw/zinc/92/66/56/532926656.db2.gz TUFUEELVTIYWBX-UHFFFAOYSA-N 1 0 376.507 2.344 20 30 GEEDRO CCN(CCO)c1ccc(C=[NH+]NCc2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000821215994 607254547 /nfs/dbraw/zinc/25/45/47/607254547.db2.gz YNUCPKBCYROHRQ-UHFFFAOYSA-N 1 0 379.468 2.117 20 30 GEEDRO N#Cc1ccc(OCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737722804 598251759 /nfs/dbraw/zinc/25/17/59/598251759.db2.gz YNWXQROGMHZQCP-UHFFFAOYSA-N 1 0 389.463 2.329 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000735420915 598302784 /nfs/dbraw/zinc/30/27/84/598302784.db2.gz VSYCGCNWIWCSST-UHFFFAOYSA-N 1 0 383.500 2.296 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)CC1 ZINC000735399725 598361767 /nfs/dbraw/zinc/36/17/67/598361767.db2.gz UCJPJBFACNYVHE-UHFFFAOYSA-N 1 0 395.467 2.329 20 30 GEEDRO N#CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737696295 598537791 /nfs/dbraw/zinc/53/77/91/598537791.db2.gz PZCOKFDFZYCQQZ-UHFFFAOYSA-N 1 0 389.463 2.481 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000735418652 598731918 /nfs/dbraw/zinc/73/19/18/598731918.db2.gz HXIQQWRRXYLOFI-GOSISDBHSA-N 1 0 383.500 2.439 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000819750225 607427466 /nfs/dbraw/zinc/42/74/66/607427466.db2.gz AHALDJHJJGXDTD-UHFFFAOYSA-N 1 0 385.472 2.426 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420945 606299558 /nfs/dbraw/zinc/29/95/58/606299558.db2.gz YMFLUUHIIZPFIL-ABAIWWIYSA-N 1 0 379.449 2.256 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420237 606308924 /nfs/dbraw/zinc/30/89/24/606308924.db2.gz NVOUFEXPGDJCMA-ABAIWWIYSA-N 1 0 379.449 2.256 20 30 GEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000819891943 607146576 /nfs/dbraw/zinc/14/65/76/607146576.db2.gz MVLRPDKMANBQEH-UHFFFAOYSA-N 1 0 388.479 2.385 20 30 GEEDRO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)OCC ZINC000823874017 607888056 /nfs/dbraw/zinc/88/80/56/607888056.db2.gz RDEFYQJVNJEBGW-GOSISDBHSA-N 1 0 386.500 2.128 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825865653 608190270 /nfs/dbraw/zinc/19/02/70/608190270.db2.gz JOAOPNSLXQLSLO-UHFFFAOYSA-N 1 0 388.888 2.416 20 30 GEEDRO CC(C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCN(C)CC1 ZINC000448968988 650027334 /nfs/dbraw/zinc/02/73/34/650027334.db2.gz HVRYKMSSSOLQGW-MRXNPFEDSA-N 1 0 393.329 2.323 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449750447 650048925 /nfs/dbraw/zinc/04/89/25/650048925.db2.gz UNSBCIYBMXQOII-ZIAGYGMSSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000449803547 650050832 /nfs/dbraw/zinc/05/08/32/650050832.db2.gz ONWPMWMDSIOSTD-ZDUSSCGKSA-N 1 0 378.270 2.396 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000450330591 650064062 /nfs/dbraw/zinc/06/40/62/650064062.db2.gz TZFFOTLALCHRSO-UHFFFAOYSA-N 1 0 380.290 2.070 20 30 GEEDRO CC1=CC[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450625295 650068360 /nfs/dbraw/zinc/06/83/60/650068360.db2.gz QDTCQZHVXCMZRG-UHFFFAOYSA-N 1 0 378.270 2.468 20 30 GEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@@H+]1C ZINC000451243258 650097632 /nfs/dbraw/zinc/09/76/32/650097632.db2.gz KKXQEANTZJKHHK-MWLCHTKSSA-N 1 0 390.278 2.221 20 30 GEEDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCCO1 ZINC000451467093 650118053 /nfs/dbraw/zinc/11/80/53/650118053.db2.gz SBABUKYFLFAPJS-CQSZACIVSA-N 1 0 385.917 2.185 20 30 GEEDRO CN1CCN(c2ncc(Br)cc2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000456577738 650349442 /nfs/dbraw/zinc/34/94/42/650349442.db2.gz JLJOPXTXLGOCKE-UHFFFAOYSA-N 1 0 389.257 2.048 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920605 650507977 /nfs/dbraw/zinc/50/79/77/650507977.db2.gz HOCJFVRYLGXHTE-FZMZJTMJSA-N 1 0 383.279 2.084 20 30 GEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)C(C)C ZINC000042393593 642552081 /nfs/dbraw/zinc/55/20/81/642552081.db2.gz JZIWNABETMCPEE-MRXNPFEDSA-N 1 0 396.329 2.426 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064271349 642872055 /nfs/dbraw/zinc/87/20/55/642872055.db2.gz JAHXXVFXWMRDAJ-UHFFFAOYSA-N 1 0 398.326 2.199 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c(C3CC3)c2Br)c1C#N ZINC000536305829 650800127 /nfs/dbraw/zinc/80/01/27/650800127.db2.gz RLDJSHAJUZWWQO-UHFFFAOYSA-N 1 0 392.261 2.049 20 30 GEEDRO C=C(Br)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000069118974 643020448 /nfs/dbraw/zinc/02/04/48/643020448.db2.gz UIXLSDQRUKCTQF-UHFFFAOYSA-N 1 0 381.318 2.407 20 30 GEEDRO [NH2+]=C(NCc1ccc(Br)cc1N1CCOCC1)N1CCSCC1 ZINC000119553438 643557030 /nfs/dbraw/zinc/55/70/30/643557030.db2.gz WHFXAURUNVNGMA-UHFFFAOYSA-N 1 0 399.358 2.149 20 30 GEEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000128179414 643794699 /nfs/dbraw/zinc/79/46/99/643794699.db2.gz XAJBSTTXJYATHA-PQUAAJSLSA-N 1 0 376.503 2.096 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)cnc2Cl)c1C#N ZINC000133231128 643893737 /nfs/dbraw/zinc/89/37/37/643893737.db2.gz XUQAMNSKTOLTSY-UHFFFAOYSA-N 1 0 397.664 2.497 20 30 GEEDRO CC[NH+]=C(NCCNS(=O)(=O)c1cccs1)N1CCc2ccccc21 ZINC000151117068 643931714 /nfs/dbraw/zinc/93/17/14/643931714.db2.gz GWBAXRWFLYBVDA-UHFFFAOYSA-N 1 0 378.523 2.055 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000154550047 644051391 /nfs/dbraw/zinc/05/13/91/644051391.db2.gz JCWMROVDZPNOJN-UHFFFAOYSA-N 1 0 394.313 2.463 20 30 GEEDRO C[NH+]=C(NC[C@@H](C)Oc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158637410 644153009 /nfs/dbraw/zinc/15/30/09/644153009.db2.gz HYXRXQJSCWNXSZ-CYBMUJFWSA-N 1 0 387.933 2.192 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423369 644373978 /nfs/dbraw/zinc/37/39/78/644373978.db2.gz KGCDEIOHKHANGT-NSHDSACASA-N 1 0 384.274 2.377 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188110309 645108343 /nfs/dbraw/zinc/10/83/43/645108343.db2.gz TUGXVAKUFMKARV-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000190375894 645155621 /nfs/dbraw/zinc/15/56/21/645155621.db2.gz KECPYUTXPCQVSN-SFHVURJKSA-N 1 0 384.929 2.064 20 30 GEEDRO C=C(Br)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192358949 645200728 /nfs/dbraw/zinc/20/07/28/645200728.db2.gz XPRLSBWMAJXAOY-MRXNPFEDSA-N 1 0 382.302 2.485 20 30 GEEDRO C[NH+]=C(NCCNc1nccc(C(F)(F)F)n1)N1CCSC(C)(C)C1 ZINC000261778053 645599499 /nfs/dbraw/zinc/59/94/99/645599499.db2.gz FESBOZWGQIVMCR-UHFFFAOYSA-N 1 0 376.452 2.310 20 30 GEEDRO CC[NH+]=C(NCc1cc(F)ccc1Br)N1CCO[C@@H](COC)C1 ZINC000261809461 645602342 /nfs/dbraw/zinc/60/23/42/645602342.db2.gz HONFYXHHJLZSDC-CQSZACIVSA-N 1 0 388.281 2.401 20 30 GEEDRO CC[NH+]=C(NCCc1csc(C(C)C)n1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262020498 645615698 /nfs/dbraw/zinc/61/56/98/645615698.db2.gz YRFMJYWQZXRZOY-UHFFFAOYSA-N 1 0 386.587 2.284 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000262479322 645631746 /nfs/dbraw/zinc/63/17/46/645631746.db2.gz QYSQOUKBYOSFKA-LBPRGKRZSA-N 1 0 378.274 2.170 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@H](COC)C1 ZINC000262474131 645631917 /nfs/dbraw/zinc/63/19/17/645631917.db2.gz PQOKAPXOTHCNSV-LBPRGKRZSA-N 1 0 398.301 2.264 20 30 GEEDRO CN(Cc1c(F)cccc1Cl)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262565980 645637053 /nfs/dbraw/zinc/63/70/53/645637053.db2.gz LGWQNZXMEKENLV-LBPRGKRZSA-N 1 0 387.908 2.454 20 30 GEEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCN(c2ncccn2)CC1 ZINC000262597637 645639229 /nfs/dbraw/zinc/63/92/29/645639229.db2.gz XLIBBVGOWDJMTC-UHFFFAOYSA-N 1 0 395.330 2.198 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262787882 645645547 /nfs/dbraw/zinc/64/55/47/645645547.db2.gz MOPZKGSOARPWHB-KGLIPLIRSA-N 1 0 381.318 2.372 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(F)cc2I)CC1 ZINC000272162772 646258609 /nfs/dbraw/zinc/25/86/09/646258609.db2.gz OSXWKKBURWGCTD-UHFFFAOYSA-N 1 0 387.196 2.109 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047426 646299112 /nfs/dbraw/zinc/29/91/12/646299112.db2.gz DTTLRLINHLVUGD-FUHWJXTLSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047424 646299189 /nfs/dbraw/zinc/29/91/89/646299189.db2.gz DTTLRLINHLVUGD-AEFFLSMTSA-N 1 0 391.265 2.384 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716309 646542769 /nfs/dbraw/zinc/54/27/69/646542769.db2.gz IGWBFDKHZCPLOG-CJNGLKHVSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281728869 646793248 /nfs/dbraw/zinc/79/32/48/646793248.db2.gz WBAAJEZOSVDAQU-LBPRGKRZSA-N 1 0 375.270 2.372 20 30 GEEDRO N#Cc1sc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1Cl ZINC000286020043 646864760 /nfs/dbraw/zinc/86/47/60/646864760.db2.gz FSNMTBXBPAPHGX-UHFFFAOYSA-N 1 0 381.933 2.487 20 30 GEEDRO CC(C)(C)S(=O)(=O)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304752182 647279482 /nfs/dbraw/zinc/27/94/82/647279482.db2.gz JYWSWHOCXWVNKN-UHFFFAOYSA-N 1 0 381.420 2.203 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000321727717 647293466 /nfs/dbraw/zinc/29/34/66/647293466.db2.gz ZGEHCBLSHPSEFG-IAGOWNOFSA-N 1 0 379.298 2.414 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000330711362 647347944 /nfs/dbraw/zinc/34/79/44/647347944.db2.gz UUMGZSQFDUMMOX-RYUDHWBXSA-N 1 0 386.290 2.390 20 30 GEEDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000331211063 647371037 /nfs/dbraw/zinc/37/10/37/647371037.db2.gz YJIIVWMEWDLTOX-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000367563881 647738701 /nfs/dbraw/zinc/73/87/01/647738701.db2.gz OKBCHFNDSANARQ-UHFFFAOYSA-N 1 0 380.539 2.028 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414707337 648100613 /nfs/dbraw/zinc/10/06/13/648100613.db2.gz HRPDPYRFWQJLEM-CYBMUJFWSA-N 1 0 375.782 2.169 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409188 648115095 /nfs/dbraw/zinc/11/50/95/648115095.db2.gz UHRMFNWCZXXBTH-RISCZKNCSA-N 1 0 386.315 2.281 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000416560070 648172049 /nfs/dbraw/zinc/17/20/49/648172049.db2.gz RTODCWIGHOFDGI-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419641257 648358727 /nfs/dbraw/zinc/35/87/27/648358727.db2.gz HTPOIXLDRAJRBD-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419672922 648362362 /nfs/dbraw/zinc/36/23/62/648362362.db2.gz IGHIOHYNKVWLFF-OLZOCXBDSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)CC[N@@H+]1C ZINC000419698717 648366682 /nfs/dbraw/zinc/36/66/82/648366682.db2.gz TYJCLAZTFSTRPG-AAEUAGOBSA-N 1 0 393.285 2.200 20 30 GEEDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000420752438 648450365 /nfs/dbraw/zinc/45/03/65/648450365.db2.gz YIPYNITYPCYMEF-UHFFFAOYSA-N 1 0 386.315 2.472 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424112931 648613741 /nfs/dbraw/zinc/61/37/41/648613741.db2.gz LGRFXBIVLFQJGI-CYBMUJFWSA-N 1 0 381.274 2.224 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000424118037 648614248 /nfs/dbraw/zinc/61/42/48/648614248.db2.gz ZQZGHYUEZUNGGA-SNVBAGLBSA-N 1 0 377.251 2.033 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Br)cc2O)c1C#N ZINC000548404206 651078306 /nfs/dbraw/zinc/07/83/06/651078306.db2.gz SOMVQDBNXZOUIF-UHFFFAOYSA-N 1 0 392.257 2.083 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)c(C)c2F)c1C#N ZINC000556103143 651236777 /nfs/dbraw/zinc/23/67/77/651236777.db2.gz PCTHXKIPCFPXRS-UHFFFAOYSA-N 1 0 394.248 2.896 20 30 GEEDRO N#Cc1ccc(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c(Br)c1 ZINC000603244868 651473978 /nfs/dbraw/zinc/47/39/78/651473978.db2.gz WFOMBYLJESKMAG-MRXNPFEDSA-N 1 0 376.258 2.387 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563540188 651531508 /nfs/dbraw/zinc/53/15/08/651531508.db2.gz JMZSXPFQVJJEEG-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO CC[NH2+]CCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000570062896 651743890 /nfs/dbraw/zinc/74/38/90/651743890.db2.gz RGXVNYIVECHTLZ-UHFFFAOYSA-N 1 0 376.511 2.823 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000577279677 652176270 /nfs/dbraw/zinc/17/62/70/652176270.db2.gz DYHFRMMGCLBCLJ-CQSZACIVSA-N 1 0 398.326 2.331 20 30 GEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795030 652371179 /nfs/dbraw/zinc/37/11/79/652371179.db2.gz PZTWPIKXZIIAKK-LJQANCHMSA-N 1 0 393.325 2.459 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c(F)cc2F)c1C#N ZINC000581644143 652419872 /nfs/dbraw/zinc/41/98/72/652419872.db2.gz KRKNOHZBNSEBHU-UHFFFAOYSA-N 1 0 398.211 2.726 20 30 GEEDRO CN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000662330078 652455963 /nfs/dbraw/zinc/45/59/63/652455963.db2.gz VDCYRZLRSVGISG-NSHDSACASA-N 1 0 375.288 2.282 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC[NH+](C)CC1 ZINC000590246211 652577288 /nfs/dbraw/zinc/57/72/88/652577288.db2.gz BYWMCTWPPPRHFQ-LLVKDONJSA-N 1 0 393.285 2.106 20 30 GEEDRO N#Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c(Br)c1 ZINC000592173401 652590072 /nfs/dbraw/zinc/59/00/72/652590072.db2.gz SCZKEORKOVOGDA-DYVFJYSZSA-N 1 0 391.269 2.260 20 30 GEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593134183 652615411 /nfs/dbraw/zinc/61/54/11/652615411.db2.gz VZVWPYORBVFJSJ-CQSZACIVSA-N 1 0 393.329 2.005 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428546 652648640 /nfs/dbraw/zinc/64/86/40/652648640.db2.gz ZFGOUVMEHYRKOU-CYBMUJFWSA-N 1 0 381.274 2.224 20 30 GEEDRO Cc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCCC#N)ccc1Br ZINC000594439278 652649861 /nfs/dbraw/zinc/64/98/61/652649861.db2.gz PBZLIWQHYODWMU-AWEZNQCLSA-N 1 0 381.274 2.224 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000595111859 652704678 /nfs/dbraw/zinc/70/46/78/652704678.db2.gz UZPQMUVBMMEBMR-GFCCVEGCSA-N 1 0 393.285 2.120 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120310 652705806 /nfs/dbraw/zinc/70/58/06/652705806.db2.gz KAGIKHXWKSFBMW-NSHDSACASA-N 1 0 384.299 2.274 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120308 652705930 /nfs/dbraw/zinc/70/59/30/652705930.db2.gz KAGIKHXWKSFBMW-LLVKDONJSA-N 1 0 384.299 2.274 20 30 GEEDRO COC[C@@H](C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411217 652724959 /nfs/dbraw/zinc/72/49/59/652724959.db2.gz ZSARVEZWDGNYNN-SJORKVTESA-N 1 0 382.302 2.293 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000764383134 652798025 /nfs/dbraw/zinc/79/80/25/652798025.db2.gz REBRVSBZVCDJBX-UHFFFAOYSA-N 1 0 395.301 2.139 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000599356153 652863602 /nfs/dbraw/zinc/86/36/02/652863602.db2.gz ADPMATVLRWHIMT-IAGOWNOFSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000599357683 652863638 /nfs/dbraw/zinc/86/36/38/652863638.db2.gz WBNIZDRWOKSYOE-IRXDYDNUSA-N 1 0 391.265 2.384 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@H](C#N)c2ccccc2Br)cn1 ZINC000601167929 652957286 /nfs/dbraw/zinc/95/72/86/652957286.db2.gz JEMITRVOQULZNW-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO Cc1ccc(Br)c2ncc(C#N)c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c12 ZINC000601186951 653082778 /nfs/dbraw/zinc/08/27/78/653082778.db2.gz IEOOFRHISZOUCE-UONOGXRCSA-N 1 0 387.281 2.433 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Br ZINC000601352439 653088023 /nfs/dbraw/zinc/08/80/23/653088023.db2.gz VATWHXJQGICAOH-WFASDCNBSA-N 1 0 384.299 2.083 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)ncc2Cl)c1C#N ZINC000806381211 653161252 /nfs/dbraw/zinc/16/12/52/653161252.db2.gz UNPDSFGFLDUHDB-UHFFFAOYSA-N 1 0 397.664 2.497 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nccn2c(Br)cnc12 ZINC000770156192 653201015 /nfs/dbraw/zinc/20/10/15/653201015.db2.gz HQFIGCDTTQUIBF-GFCCVEGCSA-N 1 0 379.258 2.382 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775642765 653320291 /nfs/dbraw/zinc/32/02/91/653320291.db2.gz OVSDNAZDVWNQPS-OAHLLOKOSA-N 1 0 396.264 2.363 20 30 GEEDRO C#C[C@H](NC(=O)NCC[N@@H+](C)CCCOC)c1ccc(Br)cc1 ZINC000836321603 653344831 /nfs/dbraw/zinc/34/48/31/653344831.db2.gz HPRNAJOVZXUBAI-INIZCTEOSA-N 1 0 382.302 2.391 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000836489412 653356109 /nfs/dbraw/zinc/35/61/09/653356109.db2.gz ZRUCQITZUMWXIT-QGZVFWFLSA-N 1 0 394.313 2.487 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)nc1C ZINC000876575252 653436615 /nfs/dbraw/zinc/43/66/15/653436615.db2.gz YRIYDETWXGUOQP-UWVGGRQHSA-N 1 0 382.490 2.071 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662964 653441838 /nfs/dbraw/zinc/44/18/38/653441838.db2.gz UNOYBNAIVFXCEX-QWHCGFSZSA-N 1 0 375.778 2.397 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000876785254 653447954 /nfs/dbraw/zinc/44/79/54/653447954.db2.gz RVEJLLFUCDEEHM-ZFWWWQNUSA-N 1 0 386.949 2.355 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000876894869 653452784 /nfs/dbraw/zinc/45/27/84/653452784.db2.gz YATICXVKUUSRSW-STQMWFEESA-N 1 0 375.778 2.175 20 30 GEEDRO CN1C(=O)CN(N=C2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106291 653702192 /nfs/dbraw/zinc/70/21/92/653702192.db2.gz UJTCKLGDEHRIQL-AWEZNQCLSA-N 1 0 379.258 2.466 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028172 653705307 /nfs/dbraw/zinc/70/53/07/653705307.db2.gz CEPTVFZYSWLFSJ-WRWORJQWSA-N 1 0 388.063 2.445 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225970 653711139 /nfs/dbraw/zinc/71/11/39/653711139.db2.gz LWSZSTHXISVWHF-WCBMZHEXSA-N 1 0 393.270 2.201 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)CCOCC1 ZINC000863564004 653715632 /nfs/dbraw/zinc/71/56/32/653715632.db2.gz SFOWWDHQPYXPPR-XJKSGUPXSA-N 1 0 383.286 2.143 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])CCCC#N)nc1C ZINC000818055045 653724748 /nfs/dbraw/zinc/72/47/48/653724748.db2.gz VBIBDLOGPKTYQW-SNVBAGLBSA-N 1 0 377.499 2.144 20 30 GEEDRO C[NH+]1CCN(c2ncccc2CNc2ncc(C#N)cc2Br)CC1 ZINC000881853935 653743423 /nfs/dbraw/zinc/74/34/23/653743423.db2.gz ORQOFZYYIONSPZ-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1C ZINC000788278150 653753632 /nfs/dbraw/zinc/75/36/32/653753632.db2.gz PEVFCMYXUSXJIV-GHMZBOCLSA-N 1 0 378.527 2.463 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843096058 653779107 /nfs/dbraw/zinc/77/91/07/653779107.db2.gz QVPKIAGENFWSHG-RDTXWAMCSA-N 1 0 391.265 2.384 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462061 653787626 /nfs/dbraw/zinc/78/76/26/653787626.db2.gz ZKKATZHWFFXYRF-YMTOWFKASA-N 1 0 381.219 2.402 20 30 GEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000844138203 653802342 /nfs/dbraw/zinc/80/23/42/653802342.db2.gz FFHSALVEISAVTH-ZDUSSCGKSA-N 1 0 391.313 2.357 20 30 GEEDRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000883471560 653841315 /nfs/dbraw/zinc/84/13/15/653841315.db2.gz QGUAATOWCGLKAQ-UHFFFAOYSA-N 1 0 384.273 2.236 20 30 GEEDRO C#C[C@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000895686562 653845828 /nfs/dbraw/zinc/84/58/28/653845828.db2.gz DULKHINEYWTKLZ-KRWDZBQOSA-N 1 0 393.329 2.012 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000792940733 653856148 /nfs/dbraw/zinc/85/61/48/653856148.db2.gz QPOLZZKWIAEUCS-ZDUSSCGKSA-N 1 0 384.261 2.341 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCOc3ccc(Br)cc3C1)C2 ZINC000884334687 653872747 /nfs/dbraw/zinc/87/27/47/653872747.db2.gz YOJVABIHQFKCLX-FVRSWCFKSA-N 1 0 390.281 2.309 20 30 GEEDRO Cn1c(Cl)cnc1-c1csc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)n1 ZINC000884399937 653875473 /nfs/dbraw/zinc/87/54/73/653875473.db2.gz RVDJAQORACUHTE-IAZHFHGHSA-N 1 0 376.873 2.275 20 30 GEEDRO C#C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000848157267 653961472 /nfs/dbraw/zinc/96/14/72/653961472.db2.gz FKOJWOQNKNBZGW-HNNXBMFYSA-N 1 0 375.270 2.312 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(=O)c1C#N ZINC000898793366 653986300 /nfs/dbraw/zinc/98/63/00/653986300.db2.gz QNQJJTLTAUPGOD-ZDUSSCGKSA-N 1 0 381.274 2.042 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000867806714 653990074 /nfs/dbraw/zinc/99/00/74/653990074.db2.gz HTMPHNYABNQHHN-OCCSQVGLSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@@H]21 ZINC000867808662 653990378 /nfs/dbraw/zinc/99/03/78/653990378.db2.gz NWOPSDBATIRELK-RISCZKNCSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)/C=C\c1ccc(I)o1)C1CC[NH+](C)CC1 ZINC000886572785 653992202 /nfs/dbraw/zinc/99/22/02/653992202.db2.gz ZWXNOEYMVOMOFZ-ALCCZGGFSA-N 1 0 398.244 2.453 20 30 GEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000886889213 654006916 /nfs/dbraw/zinc/00/69/16/654006916.db2.gz LGLUAPAJZWLGHL-UKRRQHHQSA-N 1 0 375.416 2.291 20 30 GEEDRO N#Cc1nc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1Br ZINC000902904458 654202776 /nfs/dbraw/zinc/20/27/76/654202776.db2.gz KQPUYIOQXXDPTA-AAEUAGOBSA-N 1 0 396.314 2.417 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870888835 654204379 /nfs/dbraw/zinc/20/43/79/654204379.db2.gz SOIYOTFOAJUOPA-ZDUSSCGKSA-N 1 0 382.302 2.324 20 30 GEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930240 654212798 /nfs/dbraw/zinc/21/27/98/654212798.db2.gz KBKWPWIRUJFHQC-STQMWFEESA-N 1 0 381.274 2.423 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000903487942 654240674 /nfs/dbraw/zinc/24/06/74/654240674.db2.gz OCWCNMHQGBKVAS-WBMJQRKESA-N 1 0 398.326 2.473 20 30 GEEDRO COCC1(CNS(=O)(=O)c2c(C#N)sc3ccccc32)CC[NH2+]CC1 ZINC000903498441 654242036 /nfs/dbraw/zinc/24/20/36/654242036.db2.gz GMTRTYYFYPDXNN-UHFFFAOYSA-N 1 0 379.507 2.067 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000903499227 654242086 /nfs/dbraw/zinc/24/20/86/654242086.db2.gz KWYWHLBZHBOTNB-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@@H]2C1 ZINC000832224634 654248234 /nfs/dbraw/zinc/24/82/34/654248234.db2.gz FAAZHWKVWYZZDL-OLZOCXBDSA-N 1 0 378.270 2.110 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1Br ZINC000903532288 654250732 /nfs/dbraw/zinc/25/07/32/654250732.db2.gz VNGXKBQDTYCOKF-WFASDCNBSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903530780 654250739 /nfs/dbraw/zinc/25/07/39/654250739.db2.gz COZLHIKLZKNBSL-ABAIWWIYSA-N 1 0 384.299 2.213 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578137 654260702 /nfs/dbraw/zinc/26/07/02/654260702.db2.gz CEFFYBWOGVGCSC-YLWLKBPMSA-N 1 0 380.285 2.143 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C=C2CC[NH2+]CC2)nc1C ZINC000852809339 654261302 /nfs/dbraw/zinc/26/13/02/654261302.db2.gz YOHOXOQMBLLKHH-UHFFFAOYSA-N 1 0 376.511 2.433 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000852909182 654268094 /nfs/dbraw/zinc/26/80/94/654268094.db2.gz UWZHLNBESMDLNM-QGZVFWFLSA-N 1 0 377.282 2.352 20 30 GEEDRO N#Cc1sc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1Cl ZINC000804431132 654309591 /nfs/dbraw/zinc/30/95/91/654309591.db2.gz KQRSAFPWNFHLMO-UHFFFAOYSA-N 1 0 377.905 2.472 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246971 654319346 /nfs/dbraw/zinc/31/93/46/654319346.db2.gz IDMFQNIYXBBFRA-KRWDZBQOSA-N 1 0 378.881 2.179 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921834932 654329377 /nfs/dbraw/zinc/32/93/77/654329377.db2.gz ZEKWDIQKECRRKF-WFASDCNBSA-N 1 0 386.315 2.128 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494946 654330371 /nfs/dbraw/zinc/33/03/71/654330371.db2.gz REVFCFLPIZPEPL-RISCZKNCSA-N 1 0 389.253 2.264 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000922024419 654356474 /nfs/dbraw/zinc/35/64/74/654356474.db2.gz QOTZCLZDVUCORQ-UHFFFAOYSA-N 1 0 383.901 2.017 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000922135453 654370761 /nfs/dbraw/zinc/37/07/61/654370761.db2.gz RFISOBBUAASEPK-INMHGKMJSA-N 1 0 378.270 2.237 20 30 GEEDRO C#CCN(C(=O)NCCCCn1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000922262970 654380000 /nfs/dbraw/zinc/38/00/00/654380000.db2.gz MSZYTNFLIFULJG-UHFFFAOYSA-N 1 0 396.333 2.165 20 30 GEEDRO C[NH+]1CCC(OCC(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000906209061 654422099 /nfs/dbraw/zinc/42/20/99/654422099.db2.gz OJWNPVOJRRCGQU-UHFFFAOYSA-N 1 0 399.232 2.212 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000906832803 654477468 /nfs/dbraw/zinc/47/74/68/654477468.db2.gz CYZIOFQDJZYPKH-NSHDSACASA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000906904198 654485292 /nfs/dbraw/zinc/48/52/92/654485292.db2.gz KKJOOVNFTYVNHK-ZDUSSCGKSA-N 1 0 384.299 2.180 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000909247337 654656628 /nfs/dbraw/zinc/65/66/28/654656628.db2.gz JKGOVOGCTMGQSA-ZDUSSCGKSA-N 1 0 387.293 2.363 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000909247336 654656682 /nfs/dbraw/zinc/65/66/82/654656682.db2.gz JKGOVOGCTMGQSA-CYBMUJFWSA-N 1 0 387.293 2.363 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000930700198 654717327 /nfs/dbraw/zinc/71/73/27/654717327.db2.gz DMALYHQMHAVTGO-UHFFFAOYSA-N 1 0 394.269 2.455 20 30 GEEDRO C#CC1(O)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000931142959 654730598 /nfs/dbraw/zinc/73/05/98/654730598.db2.gz BYXJMBAKARXAHZ-CYBMUJFWSA-N 1 0 388.689 2.302 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Br ZINC000931380485 654740329 /nfs/dbraw/zinc/74/03/29/654740329.db2.gz PSBDOOFXXNKLPL-JKSUJKDBSA-N 1 0 393.285 2.384 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2=CCC[NH2+]CC2)nc1C ZINC000912213829 654746390 /nfs/dbraw/zinc/74/63/90/654746390.db2.gz GYBUEQOYNAHJNK-UHFFFAOYSA-N 1 0 376.511 2.433 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)Nc1c(F)cc(I)cc1F ZINC000931731878 654754936 /nfs/dbraw/zinc/75/49/36/654754936.db2.gz DCRQZUREVZFNIC-UHFFFAOYSA-N 1 0 393.175 2.256 20 30 GEEDRO C#CC[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)C ZINC000932392865 654776618 /nfs/dbraw/zinc/77/66/18/654776618.db2.gz CQRMKYRUTSRCBD-UHFFFAOYSA-N 1 0 385.917 2.263 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436743 654812911 /nfs/dbraw/zinc/81/29/11/654812911.db2.gz HCBLAVCYCGQPBP-KSSFIOAISA-N 1 0 396.329 2.340 20 30 GEEDRO C[C@@H]1CSCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934304890 654843668 /nfs/dbraw/zinc/84/36/68/654843668.db2.gz UWLLKJWRPIMXES-HZPDHXFCSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000934493797 654850733 /nfs/dbraw/zinc/85/07/33/654850733.db2.gz FQRMWPYKZOKCPM-IAGOWNOFSA-N 1 0 397.313 2.318 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497005 654851191 /nfs/dbraw/zinc/85/11/91/654851191.db2.gz GSNYIJGCNCHQRC-DYVFJYSZSA-N 1 0 382.302 2.254 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497006 654851211 /nfs/dbraw/zinc/85/12/11/654851211.db2.gz GSNYIJGCNCHQRC-GUYCJALGSA-N 1 0 382.302 2.254 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934827639 654862031 /nfs/dbraw/zinc/86/20/31/654862031.db2.gz YEIBJVIKBFPDIB-RISCZKNCSA-N 1 0 388.249 2.215 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]cc(C#N)c43)CC2)CC1 ZINC001164617884 719020791 /nfs/dbraw/zinc/02/07/91/719020791.db2.gz QJOKOMIUCCKPMI-UHFFFAOYSA-N 1 0 382.468 2.073 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3C#N)CC2)CC1 ZINC001164613851 719023319 /nfs/dbraw/zinc/02/33/19/719023319.db2.gz HRORRJHHVJTQDE-UHFFFAOYSA-N 1 0 377.876 2.246 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001164827052 720322879 /nfs/dbraw/zinc/32/28/79/720322879.db2.gz GMFIISYPUBBNNY-RBUKOAKNSA-N 1 0 392.507 2.346 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1CC#N ZINC001164829319 720342667 /nfs/dbraw/zinc/34/26/67/720342667.db2.gz RCOYLLBTUXENKT-WOJBJXKFSA-N 1 0 381.524 2.368 20 30 GEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(C3(C#N)CCOCC3)cn2)C1 ZINC001164733088 720522312 /nfs/dbraw/zinc/52/23/12/720522312.db2.gz IQJYZLKPSCQCQK-KRWDZBQOSA-N 1 0 380.496 2.048 20 30 GEEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742806 720801803 /nfs/dbraw/zinc/80/18/03/720801803.db2.gz FCDAQJUHTPGXHU-NEPJUHHUSA-N 1 0 391.262 2.392 20 30 GEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742700 720816208 /nfs/dbraw/zinc/81/62/08/720816208.db2.gz QPWYLAFRIIBZDU-QXAKKESOSA-N 1 0 381.459 2.063 20 30 GEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737422 720818068 /nfs/dbraw/zinc/81/80/68/720818068.db2.gz AZTCWTYQGUWXNQ-HSALFYBXSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C#N ZINC001164745113 720826064 /nfs/dbraw/zinc/82/60/64/720826064.db2.gz WJGWEBJRDZQHQZ-WSTZPKSXSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]2C1 ZINC001164861675 720855156 /nfs/dbraw/zinc/85/51/56/720855156.db2.gz YCXPTVSMEALPRA-DOMZBBRYSA-N 1 0 385.295 2.434 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@H]2C1 ZINC001164864366 720888258 /nfs/dbraw/zinc/88/82/58/720888258.db2.gz VLJJFJHYCJDZNB-VQTJNVASSA-N 1 0 387.600 2.484 20 30 GEEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771039 721299159 /nfs/dbraw/zinc/29/91/59/721299159.db2.gz XJGNOIAWJWDULM-INIZCTEOSA-N 1 0 391.475 2.332 20 30 GEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc12 ZINC001164902796 721546961 /nfs/dbraw/zinc/54/69/61/721546961.db2.gz BFKHQJFVMVOQMJ-WBVHZDCISA-N 1 0 378.411 2.311 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909775 721564657 /nfs/dbraw/zinc/56/46/57/721564657.db2.gz UWBCPOVVRNYBFD-WBVHZDCISA-N 1 0 392.438 2.263 20 30 GEEDRO Cc1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C#N ZINC001165008215 721730727 /nfs/dbraw/zinc/73/07/27/721730727.db2.gz KZFBGXXGYCDCMH-UHFFFAOYSA-N 1 0 375.904 2.438 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001164927938 721869923 /nfs/dbraw/zinc/86/99/23/721869923.db2.gz XHEBLHBWOAMGFF-DZFGPLHGSA-N 1 0 394.498 2.486 20 30 GEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001164926932 721873372 /nfs/dbraw/zinc/87/33/72/721873372.db2.gz SXMORCVYCZBERW-ROUUACIJSA-N 1 0 384.528 2.152 20 30 GEEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001164933493 721887922 /nfs/dbraw/zinc/88/79/22/721887922.db2.gz MKFYRGCEKINRGH-MOPGFXCFSA-N 1 0 380.452 2.229 20 30 GEEDRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164985873 722100105 /nfs/dbraw/zinc/10/01/05/722100105.db2.gz XHOXARFWCTZOIW-XLIONFOSSA-N 1 0 379.464 2.084 20 30 GEEDRO N#Cc1nc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974538 722105810 /nfs/dbraw/zinc/10/58/10/722105810.db2.gz AFWFNLOTBWXHQD-NVXWUHKLSA-N 1 0 384.871 2.124 20 30 GEEDRO N#Cc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981752 722106446 /nfs/dbraw/zinc/10/64/46/722106446.db2.gz MFPUMOHTQGPUTM-DOTOQJQBSA-N 1 0 384.871 2.124 20 30 GEEDRO N#Cc1cc(Cl)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984357 722107117 /nfs/dbraw/zinc/10/71/17/722107117.db2.gz SSBLVPGNVXVCKC-RDJZCZTQSA-N 1 0 384.871 2.124 20 30 GEEDRO COc1cc(C#N)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978331 722121529 /nfs/dbraw/zinc/12/15/29/722121529.db2.gz OKUIGWYTXAFQLJ-YLJYHZDGSA-N 1 0 379.464 2.084 20 30 GEEDRO C[NH+]=C(NCc1ccc(Br)cc1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000152600877 531560350 /nfs/dbraw/zinc/56/03/50/531560350.db2.gz WDYZOZSJURNMNY-CQSZACIVSA-N 1 0 377.290 2.029 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155268277 531669975 /nfs/dbraw/zinc/66/99/75/531669975.db2.gz CVANRGSWDMDVNP-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155170004 531661852 /nfs/dbraw/zinc/66/18/52/531661852.db2.gz XDIQBUHTWFPYJJ-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000155204469 531663208 /nfs/dbraw/zinc/66/32/08/531663208.db2.gz BQBZXKPYSDMMDM-AWEZNQCLSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000155235832 531666192 /nfs/dbraw/zinc/66/61/92/531666192.db2.gz AWSQZRAUJDUUIF-ZDUSSCGKSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000160787331 531817461 /nfs/dbraw/zinc/81/74/61/531817461.db2.gz MZWIAXILOUCJML-MRXNPFEDSA-N 1 0 377.286 2.239 20 30 GEEDRO COc1nc(N2CC[NH+](CCCSCC#N)CC2)ncc1Br ZINC000175867210 532118281 /nfs/dbraw/zinc/11/82/81/532118281.db2.gz CVARUPCICUVERZ-UHFFFAOYSA-N 1 0 386.319 2.017 20 30 GEEDRO CN(CC(=O)N(CCC#N)CCC#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125651181 532139626 /nfs/dbraw/zinc/13/96/26/532139626.db2.gz QLCCRPMDPIGNKM-INIZCTEOSA-N 1 0 393.285 2.070 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183653687 532327029 /nfs/dbraw/zinc/32/70/29/532327029.db2.gz KUZSYVMRYQYARS-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000188283597 532347681 /nfs/dbraw/zinc/34/76/81/532347681.db2.gz VBHQCBNLLRTPFR-WGKGOADCSA-N 1 0 378.270 2.496 20 30 GEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294852893 532387373 /nfs/dbraw/zinc/38/73/73/532387373.db2.gz BLLHSVTZWZESLG-LLVKDONJSA-N 1 0 381.274 2.104 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000294860640 532387636 /nfs/dbraw/zinc/38/76/36/532387636.db2.gz SYYYHGMOXOBYAD-RISCZKNCSA-N 1 0 393.285 2.200 20 30 GEEDRO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc(Br)c1C#N ZINC000425773605 532393428 /nfs/dbraw/zinc/39/34/28/532393428.db2.gz XRPZKPHPVQSEEV-LBPRGKRZSA-N 1 0 393.285 2.120 20 30 GEEDRO Cn1nc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000192309925 532401555 /nfs/dbraw/zinc/40/15/55/532401555.db2.gz ZJWXZGQGPKCGTO-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000592381958 532452894 /nfs/dbraw/zinc/45/28/94/532452894.db2.gz BURSFQKJKJFBAW-SUHUHFCYSA-N 1 0 384.299 2.069 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2scc(C)c2Br)c1C#N ZINC000562330029 532462668 /nfs/dbraw/zinc/46/26/68/532462668.db2.gz LXFQDKCKNHRPPJ-UHFFFAOYSA-N 1 0 382.287 2.818 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000593113648 532469465 /nfs/dbraw/zinc/46/94/65/532469465.db2.gz ZQAFGMYLQAAXKJ-CYBMUJFWSA-N 1 0 378.270 2.419 20 30 GEEDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593165521 532473139 /nfs/dbraw/zinc/47/31/39/532473139.db2.gz LGDJNZOSNVOVKC-UHFFFAOYSA-N 1 0 376.258 2.260 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000520292868 532488845 /nfs/dbraw/zinc/48/88/45/532488845.db2.gz NTRSZZWEXQBSMM-CQSZACIVSA-N 1 0 378.885 2.247 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000563035296 532495432 /nfs/dbraw/zinc/49/54/32/532495432.db2.gz TZJRMCIWQKUQMS-ZDUSSCGKSA-N 1 0 385.331 2.176 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000521646692 532517717 /nfs/dbraw/zinc/51/77/17/532517717.db2.gz XYICUAPASPAXER-OAHLLOKOSA-N 1 0 395.276 2.203 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000564970330 532540861 /nfs/dbraw/zinc/54/08/61/532540861.db2.gz GSGVGIXNQDYASS-HNNXBMFYSA-N 1 0 398.326 2.473 20 30 GEEDRO C[NH+]=C(NCCc1ccc(I)s1)NC[C@H]1CCOC1 ZINC000262686314 532598471 /nfs/dbraw/zinc/59/84/71/532598471.db2.gz AQADDWGSMQRFJE-SNVBAGLBSA-N 1 0 393.294 2.097 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000376618601 532621787 /nfs/dbraw/zinc/62/17/87/532621787.db2.gz PEHFZNAPRSJSPA-KGLIPLIRSA-N 1 0 379.258 2.305 20 30 GEEDRO C=CCCn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)nn1 ZINC000656776618 532631422 /nfs/dbraw/zinc/63/14/22/532631422.db2.gz LMXPHCDZGPCSJO-UHFFFAOYSA-N 1 0 393.289 2.460 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573838 532666195 /nfs/dbraw/zinc/66/61/95/532666195.db2.gz ZTMXDUIPESMXRN-GOSISDBHSA-N 1 0 394.313 2.021 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000378238377 532684528 /nfs/dbraw/zinc/68/45/28/532684528.db2.gz ZTJWGZVCNHZQBU-XYPHTWIQSA-N 1 0 383.901 2.084 20 30 GEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C1=O ZINC000499938422 532728766 /nfs/dbraw/zinc/72/87/66/532728766.db2.gz JUQDKABLHZNNAR-HNNXBMFYSA-N 1 0 380.286 2.496 20 30 GEEDRO C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[N@@H+]1CCO ZINC000440656912 532718622 /nfs/dbraw/zinc/71/86/22/532718622.db2.gz CMEUZOOGXWTNOV-LBPRGKRZSA-N 1 0 375.270 2.372 20 30 GEEDRO C[C@H](NC(=O)COc1cccc(Br)c1C#N)C1=CC[N@H+](C)CC1 ZINC000450755488 532759717 /nfs/dbraw/zinc/75/97/17/532759717.db2.gz JMDZDBNYZVFJKC-LBPRGKRZSA-N 1 0 378.270 2.466 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000411142950 532748891 /nfs/dbraw/zinc/74/88/91/532748891.db2.gz LODTUWHKTYGNCY-NSHDSACASA-N 1 0 384.274 2.019 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000542046627 532763745 /nfs/dbraw/zinc/76/37/45/532763745.db2.gz IYVAKCKSYMKSAU-BSEYFRJRSA-N 1 0 376.503 2.420 20 30 GEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000287060844 532782019 /nfs/dbraw/zinc/78/20/19/532782019.db2.gz ASAFGTAJSIQLQW-NEPJUHHUSA-N 1 0 381.274 2.240 20 30 GEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000287060846 532782087 /nfs/dbraw/zinc/78/20/87/532782087.db2.gz ASAFGTAJSIQLQW-NWDGAFQWSA-N 1 0 381.274 2.240 20 30 GEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287412547 532794280 /nfs/dbraw/zinc/79/42/80/532794280.db2.gz JVLATZREWHJVLN-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709608 532807476 /nfs/dbraw/zinc/80/74/76/532807476.db2.gz GEZOUHFRWDESSC-DOMZBBRYSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCCC1 ZINC000287648233 532804360 /nfs/dbraw/zinc/80/43/60/532804360.db2.gz ZVHNRKACFUUJCV-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO CN(C)c1ncc(Br)cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000330416365 532817873 /nfs/dbraw/zinc/81/78/73/532817873.db2.gz OACSQFNQPZKUGF-UHFFFAOYSA-N 1 0 398.349 2.241 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000330481655 532819374 /nfs/dbraw/zinc/81/93/74/532819374.db2.gz RZZNOJMSKHVSOF-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000272924887 532819931 /nfs/dbraw/zinc/81/99/31/532819931.db2.gz YNVWLYLQAGKRKL-GFCCVEGCSA-N 1 0 389.315 2.357 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000331166427 532834628 /nfs/dbraw/zinc/83/46/28/532834628.db2.gz GWLXKYUNBBUCKZ-CABCVRRESA-N 1 0 386.315 2.271 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000331166429 532834875 /nfs/dbraw/zinc/83/48/75/532834875.db2.gz GWLXKYUNBBUCKZ-GJZGRUSLSA-N 1 0 386.315 2.271 20 30 GEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000331389309 532838781 /nfs/dbraw/zinc/83/87/81/532838781.db2.gz DHJINLHKGMGQMH-KBPBESRZSA-N 1 0 383.901 2.085 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC[NH2+]CC1 ZINC000415508926 532848495 /nfs/dbraw/zinc/84/84/95/532848495.db2.gz YSRZXQVSKBBTFJ-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415646490 532852158 /nfs/dbraw/zinc/85/21/58/532852158.db2.gz MVOGWNSFOOQSIS-OLZOCXBDSA-N 1 0 396.285 2.339 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274824647 532857488 /nfs/dbraw/zinc/85/74/88/532857488.db2.gz QRIGDVPCZREPTB-JKSUJKDBSA-N 1 0 385.942 2.412 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000416366037 532872137 /nfs/dbraw/zinc/87/21/37/532872137.db2.gz BPPGTFMGTISFBT-ZIAGYGMSSA-N 1 0 384.299 2.226 20 30 GEEDRO C[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CCCC1 ZINC000416380738 532873991 /nfs/dbraw/zinc/87/39/91/532873991.db2.gz BGJPDTXOHJSERK-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293124018 532922449 /nfs/dbraw/zinc/92/24/49/532922449.db2.gz UGNLLPVKNUISLB-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293534393 532928271 /nfs/dbraw/zinc/92/82/71/532928271.db2.gz XHCIKIUAWBUVJE-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1scc(C)c1I ZINC000293915019 532933134 /nfs/dbraw/zinc/93/31/34/532933134.db2.gz GLJYQAVXEQQSCS-UHFFFAOYSA-N 1 0 376.263 2.346 20 30 GEEDRO CC(=NNCC[NH+]1CCCCC1)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000735451332 599148291 /nfs/dbraw/zinc/14/82/91/599148291.db2.gz XSXJYNNZAFHNFX-UHFFFAOYSA-N 1 0 393.499 2.160 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)CC1 ZINC000735426369 598361735 /nfs/dbraw/zinc/36/17/35/598361735.db2.gz QBHSSBACHFADNN-SFHVURJKSA-N 1 0 384.484 2.037 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000735426278 598391720 /nfs/dbraw/zinc/39/17/20/598391720.db2.gz OFJLVZITVRBQIL-UHFFFAOYSA-N 1 0 381.484 2.215 20 30 GEEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1C#N ZINC000826194231 607484557 /nfs/dbraw/zinc/48/45/57/607484557.db2.gz FZHGOIVEWKBJTP-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)OCC ZINC000823872716 607882546 /nfs/dbraw/zinc/88/25/46/607882546.db2.gz CUZFMWPRPNYWAC-SFHVURJKSA-N 1 0 386.500 2.128 20 30 GEEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3sccc3-c3nn[nH]n3)CC2)c1 ZINC000826386649 608529838 /nfs/dbraw/zinc/52/98/38/608529838.db2.gz NCFDCSZIPKVJQA-UHFFFAOYSA-N 1 0 379.449 2.407 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000823909561 609315826 /nfs/dbraw/zinc/31/58/26/609315826.db2.gz JETRIURUKIICPK-HNNXBMFYSA-N 1 0 381.484 2.215 20 30 GEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826384734 609600173 /nfs/dbraw/zinc/60/01/73/609600173.db2.gz HNSWWQRVXFZEOF-MRXNPFEDSA-N 1 0 379.449 2.085 20 30 GEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(C#N)c1Br ZINC000448975312 650027818 /nfs/dbraw/zinc/02/78/18/650027818.db2.gz ODBMLPLUKZFVBN-UHFFFAOYSA-N 1 0 393.329 2.419 20 30 GEEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449913573 650055705 /nfs/dbraw/zinc/05/57/05/650055705.db2.gz RQXNJCMKHYWIQT-OAHLLOKOSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C[N@@H+]1C1CC1 ZINC000450074293 650059584 /nfs/dbraw/zinc/05/95/84/650059584.db2.gz KXBKXQMTEBBTAP-NEPJUHHUSA-N 1 0 378.270 2.441 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103235 650060072 /nfs/dbraw/zinc/06/00/72/650060072.db2.gz GFGSQUVKLBDSPQ-ZBEGNZNMSA-N 1 0 378.270 2.298 20 30 GEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451345304 650105738 /nfs/dbraw/zinc/10/57/38/650105738.db2.gz RNEJRYANMJFWEC-UHFFFAOYSA-N 1 0 392.294 2.421 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000452084896 650171708 /nfs/dbraw/zinc/17/17/08/650171708.db2.gz JBFOLWNLBWYWFP-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475791741 650538752 /nfs/dbraw/zinc/53/87/52/650538752.db2.gz AVGXBJIRPNVFIT-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2c(cc1Br)OCO2 ZINC000534833981 650781244 /nfs/dbraw/zinc/78/12/44/650781244.db2.gz VHLOKBLOUREIQN-UHFFFAOYSA-N 1 0 392.257 2.419 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127850025 643787457 /nfs/dbraw/zinc/78/74/57/643787457.db2.gz KZVPGGWZCBKLBQ-QGZVFWFLSA-N 1 0 393.329 2.500 20 30 GEEDRO C[C@@H](NC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000133854986 643898480 /nfs/dbraw/zinc/89/84/80/643898480.db2.gz IVHIEUKVEDKIBX-GHMZBOCLSA-N 1 0 393.340 2.240 20 30 GEEDRO CCc1cnc(CNC(=[NH+]C)N2CCN(c3nc(CC)ns3)CC2)s1 ZINC000153147819 643978539 /nfs/dbraw/zinc/97/85/39/643978539.db2.gz XIVSLCMORBGMON-UHFFFAOYSA-N 1 0 379.559 2.017 20 30 GEEDRO C[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NC1CCCCC1 ZINC000156619553 644108208 /nfs/dbraw/zinc/10/82/08/644108208.db2.gz KUHANDNPCKGINJ-UHFFFAOYSA-N 1 0 378.951 2.178 20 30 GEEDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1C#N ZINC000158390684 644143630 /nfs/dbraw/zinc/14/36/30/644143630.db2.gz FABRIZYKJYIHKZ-UHFFFAOYSA-N 1 0 379.507 2.313 20 30 GEEDRO CC[NH+]=C(NCc1cc(Cl)ccc1OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261987135 645615102 /nfs/dbraw/zinc/61/51/02/645615102.db2.gz QJOZHNZOTIYIOW-UHFFFAOYSA-N 1 0 387.933 2.323 20 30 GEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc2ncsc2c1 ZINC000262331995 645627662 /nfs/dbraw/zinc/62/76/62/645627662.db2.gz BDWMZJYMSWFGPU-OLZOCXBDSA-N 1 0 380.539 2.347 20 30 GEEDRO O=S1(=O)CC[C@H](C[NH+]=C(NCc2cccs2)N2CC[C@@H](C3CC3)C2)C1 ZINC000262372947 645629067 /nfs/dbraw/zinc/62/90/67/645629067.db2.gz IYUSRYHWDIPWPJ-GDBMZVCRSA-N 1 0 381.567 2.360 20 30 GEEDRO CN1CC[NH+]=C1NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000262682990 645641905 /nfs/dbraw/zinc/64/19/05/645641905.db2.gz XAICZTOSFBBQOR-HNNXBMFYSA-N 1 0 398.292 2.147 20 30 GEEDRO C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262786541 645645469 /nfs/dbraw/zinc/64/54/69/645645469.db2.gz MHGZSABENNMSKN-AWEZNQCLSA-N 1 0 391.317 2.425 20 30 GEEDRO Cn1cc(Br)c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000263061320 645651527 /nfs/dbraw/zinc/65/15/27/645651527.db2.gz FPFDNXWOPZTDNL-UHFFFAOYSA-N 1 0 380.246 2.271 20 30 GEEDRO C[C@H](NC(=[NH2+])NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000267376823 645898161 /nfs/dbraw/zinc/89/81/61/645898161.db2.gz ABUBAYJFCINJGG-JTQLQIEISA-N 1 0 382.313 2.020 20 30 GEEDRO C=CCS(=O)(=O)CCNC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000272840907 646289043 /nfs/dbraw/zinc/28/90/43/646289043.db2.gz LZWCPPHMHIGCMH-UHFFFAOYSA-N 1 0 387.571 2.202 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000278611817 646530494 /nfs/dbraw/zinc/53/04/94/646530494.db2.gz BPSYBBWBIKRMLZ-CJNGLKHVSA-N 1 0 398.326 2.426 20 30 GEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287344019 646884332 /nfs/dbraw/zinc/88/43/32/646884332.db2.gz GLMGBOSQJZJFGR-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287540764 646892498 /nfs/dbraw/zinc/89/24/98/646892498.db2.gz TXEOJJAWLUDQDS-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287773826 646897206 /nfs/dbraw/zinc/89/72/06/646897206.db2.gz VBBIQRSLLONVDA-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO [NH2+]=C(NCCSCCOc1cccc(Br)c1)N1CCOCC1 ZINC000304761034 647279212 /nfs/dbraw/zinc/27/92/12/647279212.db2.gz TXYZIDKHWGLYEX-UHFFFAOYSA-N 1 0 388.331 2.208 20 30 GEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000304747569 647279500 /nfs/dbraw/zinc/27/95/00/647279500.db2.gz GNAHRDPZAUUZGB-CQSZACIVSA-N 1 0 384.571 2.305 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000330571730 647346026 /nfs/dbraw/zinc/34/60/26/647346026.db2.gz FSPVOLINWMWYCU-UONOGXRCSA-N 1 0 393.456 2.243 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccncc1I ZINC000330720193 647348808 /nfs/dbraw/zinc/34/88/08/647348808.db2.gz BPMJCIYLFBRFMU-LLVKDONJSA-N 1 0 388.253 2.308 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000332107931 647411934 /nfs/dbraw/zinc/41/19/34/647411934.db2.gz ZZURHMMRYITYAR-HOTGVXAUSA-N 1 0 385.942 2.412 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000333230374 647466569 /nfs/dbraw/zinc/46/65/69/647466569.db2.gz UKMONJQZNWQJSB-SJORKVTESA-N 1 0 383.514 2.039 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000361121281 647560093 /nfs/dbraw/zinc/56/00/93/647560093.db2.gz GJNOLFHAAIFETL-FVQBIDKESA-N 1 0 383.901 2.084 20 30 GEEDRO CCCCCCCCOCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000368598583 647761166 /nfs/dbraw/zinc/76/11/66/647761166.db2.gz PTUZTPVDRXOIHY-UHFFFAOYSA-N 1 0 376.563 2.037 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000411131478 648024809 /nfs/dbraw/zinc/02/48/09/648024809.db2.gz WVNJKNCMPULXEJ-UHFFFAOYSA-N 1 0 398.301 2.409 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000411188051 648026337 /nfs/dbraw/zinc/02/63/37/648026337.db2.gz CBZSWUNDMWYGHM-GFCCVEGCSA-N 1 0 398.301 2.409 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429535 648125231 /nfs/dbraw/zinc/12/52/31/648125231.db2.gz ZCUHSQHOJULSKG-YGRLFVJLSA-N 1 0 384.299 2.082 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416495941 648149095 /nfs/dbraw/zinc/14/90/95/648149095.db2.gz NPIZVEINUFUSEF-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000419645812 648359508 /nfs/dbraw/zinc/35/95/08/648359508.db2.gz KJLXCUNGEILPOI-UHFFFAOYSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419655946 648359929 /nfs/dbraw/zinc/35/99/29/648359929.db2.gz TXMRXQMDJAGTBI-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419674221 648362655 /nfs/dbraw/zinc/36/26/55/648362655.db2.gz IPNPDOIXLDOSPD-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419750334 648374872 /nfs/dbraw/zinc/37/48/72/648374872.db2.gz RLWAAMFYJWZGMK-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000421290998 648484138 /nfs/dbraw/zinc/48/41/38/648484138.db2.gz WMXVCHVEKJNCES-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO CC1CC[NH+](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000443527366 648880757 /nfs/dbraw/zinc/88/07/57/648880757.db2.gz BNMLZHGEPKPVAD-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000550701706 651114041 /nfs/dbraw/zinc/11/40/41/651114041.db2.gz ZWYSWGPBJRNBSV-UHFFFAOYSA-N 1 0 381.230 2.384 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000552518858 651151533 /nfs/dbraw/zinc/15/15/33/651151533.db2.gz NEYHZXYJXDTTBR-GOEBONIOSA-N 1 0 381.567 2.283 20 30 GEEDRO N#Cc1ccc(Br)c(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000603240858 651473723 /nfs/dbraw/zinc/47/37/23/651473723.db2.gz FQXZEYVJRWHCEF-MRXNPFEDSA-N 1 0 376.258 2.387 20 30 GEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000603432427 651491388 /nfs/dbraw/zinc/49/13/88/651491388.db2.gz MQJVGPRYGRXMJP-LBPRGKRZSA-N 1 0 389.233 2.172 20 30 GEEDRO N#Cc1ccc(Br)c(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1 ZINC000563081995 651508878 /nfs/dbraw/zinc/50/88/78/651508878.db2.gz STDSTDXAVZZHJZ-DYVFJYSZSA-N 1 0 391.269 2.260 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000564205270 651561419 /nfs/dbraw/zinc/56/14/19/651561419.db2.gz YGENMGMKTDUQJX-UHFFFAOYSA-N 1 0 377.242 2.237 20 30 GEEDRO N#Cc1c(Cl)nsc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729182406 651563167 /nfs/dbraw/zinc/56/31/67/651563167.db2.gz QHPZROHNAUSJBP-UHFFFAOYSA-N 1 0 377.905 2.472 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000729812113 651580410 /nfs/dbraw/zinc/58/04/10/651580410.db2.gz LYYKAOUYBWMPCE-CYBMUJFWSA-N 1 0 380.238 2.475 20 30 GEEDRO Cc1ccc(I)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000608783172 651607380 /nfs/dbraw/zinc/60/73/80/651607380.db2.gz PUNPEYUENYJGHW-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000609988827 651639347 /nfs/dbraw/zinc/63/93/47/651639347.db2.gz YFTQNMDHQXSFSM-UHFFFAOYSA-N 1 0 389.253 2.421 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569972136 651737886 /nfs/dbraw/zinc/73/78/86/651737886.db2.gz VEDYDLBCCNITLI-HAQNSBGRSA-N 1 0 386.315 2.364 20 30 GEEDRO Cn1ncc(Br)c1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000618723544 652027628 /nfs/dbraw/zinc/02/76/28/652027628.db2.gz LYSSRYFCHNEMDE-UHFFFAOYSA-N 1 0 375.274 2.208 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000747816361 652179838 /nfs/dbraw/zinc/17/98/38/652179838.db2.gz BBLGGATWJNWSBC-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577633492 652203399 /nfs/dbraw/zinc/20/33/99/652203399.db2.gz LAYUETHVJUAAIN-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC1 ZINC000748671562 652210939 /nfs/dbraw/zinc/21/09/39/652210939.db2.gz CRHGXIBXHWFCSZ-ZDUSSCGKSA-N 1 0 382.913 2.429 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000748672228 652211079 /nfs/dbraw/zinc/21/10/79/652211079.db2.gz QZTWTEBDDXGKRM-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccccc2Cl)c1 ZINC000579122482 652318545 /nfs/dbraw/zinc/31/85/45/652318545.db2.gz RURVMXSMTWHLHF-HNNXBMFYSA-N 1 0 378.881 2.351 20 30 GEEDRO N#Cc1c(Br)cccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000589569649 652568628 /nfs/dbraw/zinc/56/86/28/652568628.db2.gz HFQRJLNGWRVYOO-UHFFFAOYSA-N 1 0 377.286 2.065 20 30 GEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593531866 652624521 /nfs/dbraw/zinc/62/45/21/652624521.db2.gz UOEHJXKDEASIAS-UHFFFAOYSA-N 1 0 394.313 2.215 20 30 GEEDRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000593682757 652631671 /nfs/dbraw/zinc/63/16/71/652631671.db2.gz LEUGPWYVXSRDDU-UHFFFAOYSA-N 1 0 393.329 2.005 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000593733723 652634079 /nfs/dbraw/zinc/63/40/79/652634079.db2.gz HMTNGMVSHBIWRF-ZQIUZPCESA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1CC[NH3+] ZINC000593736409 652634361 /nfs/dbraw/zinc/63/43/61/652634361.db2.gz RURXAMLAZZSGPA-ABAIWWIYSA-N 1 0 386.315 2.459 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000593735918 652634376 /nfs/dbraw/zinc/63/43/76/652634376.db2.gz RCFMMWOMUXVZBN-SQWLQELKSA-N 1 0 383.901 2.119 20 30 GEEDRO COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Br ZINC000595255962 652710495 /nfs/dbraw/zinc/71/04/95/652710495.db2.gz HHODRERUNBMWSP-ZIAGYGMSSA-N 1 0 382.258 2.191 20 30 GEEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000598540236 652819570 /nfs/dbraw/zinc/81/95/70/652819570.db2.gz NCAITXCIDUCYEY-KRWDZBQOSA-N 1 0 394.313 2.432 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)c(F)c2C)c1C#N ZINC000598651376 652826134 /nfs/dbraw/zinc/82/61/34/652826134.db2.gz YAZKMRMKZWAIJZ-UHFFFAOYSA-N 1 0 394.248 2.896 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000598726744 652831556 /nfs/dbraw/zinc/83/15/56/652831556.db2.gz AFEYGYGBCPTQMW-LLVKDONJSA-N 1 0 394.324 2.162 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599105654 652850062 /nfs/dbraw/zinc/85/00/62/652850062.db2.gz ZNJBFLBFCSSXMC-ONGXEEELSA-N 1 0 381.807 2.359 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357057 652863511 /nfs/dbraw/zinc/86/35/11/652863511.db2.gz KWABOAWMPPSWEL-CVEARBPZSA-N 1 0 383.286 2.143 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000599357682 652863724 /nfs/dbraw/zinc/86/37/24/652863724.db2.gz WBNIZDRWOKSYOE-IAGOWNOFSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Br ZINC000601352437 653087946 /nfs/dbraw/zinc/08/79/46/653087946.db2.gz VATWHXJQGICAOH-IUODEOHRSA-N 1 0 384.299 2.083 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000806857829 653177013 /nfs/dbraw/zinc/17/70/13/653177013.db2.gz XAIPUHWMIZPWSY-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858076 653210417 /nfs/dbraw/zinc/21/04/17/653210417.db2.gz YRJCOOZKTAGRPL-IJEWVQPXSA-N 1 0 382.302 2.107 20 30 GEEDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602858074 653210495 /nfs/dbraw/zinc/21/04/95/653210495.db2.gz YRJCOOZKTAGRPL-FMKPAKJESA-N 1 0 382.302 2.107 20 30 GEEDRO CSC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000602921873 653215321 /nfs/dbraw/zinc/21/53/21/653215321.db2.gz BAQVLMPHZZNKOI-INIZCTEOSA-N 1 0 378.567 2.284 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000774956086 653274196 /nfs/dbraw/zinc/27/41/96/653274196.db2.gz OBYGVKHEUOZLEC-LBPRGKRZSA-N 1 0 386.315 2.026 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)c1ccc(Br)cc1 ZINC000836352761 653346664 /nfs/dbraw/zinc/34/66/64/653346664.db2.gz XLZXFDHWDDGQDN-PBHICJAKSA-N 1 0 394.313 2.391 20 30 GEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000858336011 653360657 /nfs/dbraw/zinc/36/06/57/653360657.db2.gz RONPEEREOUUTHG-LBPRGKRZSA-N 1 0 389.233 2.436 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000876686209 653442314 /nfs/dbraw/zinc/44/23/14/653442314.db2.gz SHHAKWGLSVISMO-CZUORRHYSA-N 1 0 384.307 2.412 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000876686210 653442351 /nfs/dbraw/zinc/44/23/51/653442351.db2.gz SHHAKWGLSVISMO-XJKSGUPXSA-N 1 0 384.307 2.412 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1ccc(I)cc1 ZINC000876974287 653457462 /nfs/dbraw/zinc/45/74/62/653457462.db2.gz BZKYQRPCJLSMOU-GFCCVEGCSA-N 1 0 378.641 2.420 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031396 653462106 /nfs/dbraw/zinc/46/21/06/653462106.db2.gz VUBVQIVZMSLKRX-STQMWFEESA-N 1 0 386.677 2.141 20 30 GEEDRO C#CCNC(=O)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000815054479 653648571 /nfs/dbraw/zinc/64/85/71/653648571.db2.gz KZZYJKJPVODHEF-OAHLLOKOSA-N 1 0 378.314 2.267 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000815082223 653650467 /nfs/dbraw/zinc/65/04/67/653650467.db2.gz GLDBBAWSSWGTKV-UHFFFAOYSA-N 1 0 385.736 2.397 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000815083033 653650491 /nfs/dbraw/zinc/65/04/91/653650491.db2.gz MFABDNIEYMHTHX-UHFFFAOYSA-N 1 0 397.697 2.475 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000815082362 653650534 /nfs/dbraw/zinc/65/05/34/653650534.db2.gz MYPZZGQDDPMWSI-UHFFFAOYSA-N 1 0 380.901 2.068 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000815082172 653650615 /nfs/dbraw/zinc/65/06/15/653650615.db2.gz CFSKALKBIMQCTL-UHFFFAOYSA-N 1 0 389.315 2.081 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000815082856 653650704 /nfs/dbraw/zinc/65/07/04/653650704.db2.gz HTZBZTMMYGUQKD-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000782054935 653654242 /nfs/dbraw/zinc/65/42/42/653654242.db2.gz BEDAKZQVTZDVLN-KRWDZBQOSA-N 1 0 379.298 2.334 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149705 653707974 /nfs/dbraw/zinc/70/79/74/653707974.db2.gz LEVULPSMXZTVGR-RISCZKNCSA-N 1 0 378.274 2.282 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)CCOCC1 ZINC000863564003 653715646 /nfs/dbraw/zinc/71/56/46/653715646.db2.gz SFOWWDHQPYXPPR-CZUORRHYSA-N 1 0 383.286 2.143 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000818595936 653734479 /nfs/dbraw/zinc/73/44/79/653734479.db2.gz UTUOYLWFNOUKEL-UHFFFAOYSA-N 1 0 390.285 2.023 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CC[NH+](C)CC2)s1 ZINC000819049950 653741455 /nfs/dbraw/zinc/74/14/55/653741455.db2.gz ZIMYWUGVTGXCGL-UHFFFAOYSA-N 1 0 388.990 2.202 20 30 GEEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000819290206 653748376 /nfs/dbraw/zinc/74/83/76/653748376.db2.gz WIFLFHKWFXLJBF-UHFFFAOYSA-N 1 0 376.625 2.174 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820611568 653778110 /nfs/dbraw/zinc/77/81/10/653778110.db2.gz LTNFXVAJQMLBNV-VBQJREDUSA-N 1 0 394.313 2.220 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820680902 653780252 /nfs/dbraw/zinc/78/02/52/653780252.db2.gz QVWAZXCKSRZSDY-UHFFFAOYSA-N 1 0 389.297 2.379 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883027591 653823377 /nfs/dbraw/zinc/82/33/77/653823377.db2.gz GVXFDBCPKPFCPW-UHFFFAOYSA-N 1 0 392.253 2.064 20 30 GEEDRO N#Cc1nc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000883097734 653826819 /nfs/dbraw/zinc/82/68/19/653826819.db2.gz SAZKKBZMRDCCCS-LBPRGKRZSA-N 1 0 394.273 2.091 20 30 GEEDRO Brc1n[nH]c(Br)c1C=NNCC[NH+]1CCCCC1 ZINC000792978635 653858798 /nfs/dbraw/zinc/85/87/98/653858798.db2.gz WWNVCZCCZUAFCL-UHFFFAOYSA-N 1 0 379.100 2.344 20 30 GEEDRO COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1Br ZINC000884118539 653864464 /nfs/dbraw/zinc/86/44/64/653864464.db2.gz JFTDLJJENJETTM-UIORMTCPSA-N 1 0 378.270 2.213 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250317 653869261 /nfs/dbraw/zinc/86/92/61/653869261.db2.gz BTVICJYGQIMVGP-KWQFWETISA-N 1 0 397.323 2.404 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846235160 653892769 /nfs/dbraw/zinc/89/27/69/653892769.db2.gz UEYRUXQAZHPPNT-APHBMKBZSA-N 1 0 383.901 2.261 20 30 GEEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000795575555 653959652 /nfs/dbraw/zinc/95/96/52/653959652.db2.gz WRISJRKFOYITIN-GOSISDBHSA-N 1 0 377.941 2.284 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000867806712 653989948 /nfs/dbraw/zinc/98/99/48/653989948.db2.gz HTMPHNYABNQHHN-GXTWGEPZSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)[C@H]1COc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000886579710 653992527 /nfs/dbraw/zinc/99/25/27/653992527.db2.gz FZISDXRRCWOELB-INIZCTEOSA-N 1 0 377.282 2.481 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cc2nc[nH]c21)C1CC[NH+](C)CC1 ZINC000886576033 653992710 /nfs/dbraw/zinc/99/27/10/653992710.db2.gz UXGIRGCMEFKSMH-UHFFFAOYSA-N 1 0 375.270 2.495 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886900550 654008630 /nfs/dbraw/zinc/00/86/30/654008630.db2.gz AVHZXCDPVYLKTL-INIZCTEOSA-N 1 0 398.326 2.475 20 30 GEEDRO C#CCN(CN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH+](C)CC1 ZINC000902538485 654182563 /nfs/dbraw/zinc/18/25/63/654182563.db2.gz KDENDLTWLFPQPV-UHFFFAOYSA-N 1 0 390.281 2.032 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000903503133 654242495 /nfs/dbraw/zinc/24/24/95/654242495.db2.gz FFCLGIANIPMFDN-WBMJQRKESA-N 1 0 398.326 2.473 20 30 GEEDRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000903506146 654242864 /nfs/dbraw/zinc/24/28/64/654242864.db2.gz PLGFJWHWWTVZCF-UHFFFAOYSA-N 1 0 379.507 2.162 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580434 654261411 /nfs/dbraw/zinc/26/14/11/654261411.db2.gz UUINWHKVMMAIAF-KGLIPLIRSA-N 1 0 375.416 2.388 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494945 654330427 /nfs/dbraw/zinc/33/04/27/654330427.db2.gz REVFCFLPIZPEPL-FZMZJTMJSA-N 1 0 389.253 2.264 20 30 GEEDRO Cc1nn(-c2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2)c(C)c1Br ZINC000834516697 654331639 /nfs/dbraw/zinc/33/16/39/654331639.db2.gz KVUUWIVJDDMTQR-HIFRSBDPSA-N 1 0 388.269 2.093 20 30 GEEDRO C[C@@](O)(C[NH2+]CC1(OCCO)CCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000905388258 654354964 /nfs/dbraw/zinc/35/49/64/654354964.db2.gz DEPNWCNEJJNYDQ-SNVBAGLBSA-N 1 0 385.320 2.482 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1Br ZINC000922022218 654356022 /nfs/dbraw/zinc/35/60/22/654356022.db2.gz JQSLFCUAGFKVJG-UHFFFAOYSA-N 1 0 385.327 2.308 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000922021630 654356104 /nfs/dbraw/zinc/35/61/04/654356104.db2.gz AJPJFAKKIIYUNK-UHFFFAOYSA-N 1 0 386.901 2.075 20 30 GEEDRO [NH3+]C[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000892708205 654360955 /nfs/dbraw/zinc/36/09/55/654360955.db2.gz RHFZXRIKPIAREG-HTQZYQBOSA-N 1 0 387.271 2.327 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 ZINC000922135570 654370808 /nfs/dbraw/zinc/37/08/08/654370808.db2.gz RFISOBBUAASEPK-VYDXJSESSA-N 1 0 378.270 2.237 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000855636773 654430229 /nfs/dbraw/zinc/43/02/29/654430229.db2.gz WIHCDLBBOMJKGY-UHFFFAOYSA-N 1 0 390.325 2.443 20 30 GEEDRO C#CCN(C(=O)NCc1cc(Br)cnc1OC)C1CC[NH+](C)CC1 ZINC000923414747 654451292 /nfs/dbraw/zinc/45/12/92/654451292.db2.gz OMXSHZXPHGIZDB-UHFFFAOYSA-N 1 0 395.301 2.092 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923733915 654481775 /nfs/dbraw/zinc/48/17/75/654481775.db2.gz GDWLWDDFXARUDX-OAHLLOKOSA-N 1 0 384.299 2.227 20 30 GEEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCC#CCO)CC1 ZINC000923767100 654483345 /nfs/dbraw/zinc/48/33/45/654483345.db2.gz IAMUFBDXSAWIPN-UHFFFAOYSA-N 1 0 394.313 2.051 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000906981061 654495642 /nfs/dbraw/zinc/49/56/42/654495642.db2.gz MAHVYKFIKSZGHO-YPMHNXCESA-N 1 0 386.315 2.424 20 30 GEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907210758 654520502 /nfs/dbraw/zinc/52/05/02/654520502.db2.gz WLEJDTXLVOUWRR-MRXNPFEDSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000907327762 654532390 /nfs/dbraw/zinc/53/23/90/654532390.db2.gz IBIFPRFPQQVMTH-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Cl ZINC000907330662 654532441 /nfs/dbraw/zinc/53/24/41/654532441.db2.gz RIUHSXRKXZIBJP-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO C#CC[N@H+](C)CCCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925314185 654541041 /nfs/dbraw/zinc/54/10/41/654541041.db2.gz RRRWYOGKUPSTGJ-INIZCTEOSA-N 1 0 390.281 2.093 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000907928874 654590659 /nfs/dbraw/zinc/59/06/59/654590659.db2.gz XQTRSUAOPDBKKS-UHFFFAOYSA-N 1 0 392.301 2.496 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000908698583 654638234 /nfs/dbraw/zinc/63/82/34/654638234.db2.gz QUOTXYGVUXAPLZ-MRXNPFEDSA-N 1 0 385.302 2.457 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000909363867 654661625 /nfs/dbraw/zinc/66/16/25/654661625.db2.gz ZAYIBWIDCIBPHS-CQSZACIVSA-N 1 0 399.329 2.233 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC[N@H+](C)CCO)s1 ZINC000912598909 654760360 /nfs/dbraw/zinc/76/03/60/654760360.db2.gz JMKJUMMVVBSCMX-UHFFFAOYSA-N 1 0 377.963 2.221 20 30 GEEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000932177917 654769134 /nfs/dbraw/zinc/76/91/34/654769134.db2.gz GEUSXBHMODHPHL-LBPRGKRZSA-N 1 0 397.260 2.499 20 30 GEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@@H]2C1 ZINC000932548092 654781053 /nfs/dbraw/zinc/78/10/53/654781053.db2.gz YYEDQIYAQHGKJX-BXUZGUMPSA-N 1 0 396.232 2.331 20 30 GEEDRO O=C1NCCN1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940998 654795001 /nfs/dbraw/zinc/79/50/01/654795001.db2.gz SSJIQRNFPXHDSE-YUMQZZPRSA-N 1 0 381.267 2.114 20 30 GEEDRO FC1(F)[C@H]2C[N@H+](CCN3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941314 654795052 /nfs/dbraw/zinc/79/50/52/654795052.db2.gz AHFJNDKLDXFPDX-AOOOYVTPSA-N 1 0 382.295 2.421 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437516 654813234 /nfs/dbraw/zinc/81/32/34/654813234.db2.gz OHAFREKEGMDORO-KRWDZBQOSA-N 1 0 382.302 2.094 20 30 GEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914118954 654827848 /nfs/dbraw/zinc/82/78/48/654827848.db2.gz BGOGZVLVJQXVSM-RHSMWYFYSA-N 1 0 385.555 2.176 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934827640 654861975 /nfs/dbraw/zinc/86/19/75/654861975.db2.gz YEIBJVIKBFPDIB-SMDDNHRTSA-N 1 0 388.249 2.215 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000916085590 654887552 /nfs/dbraw/zinc/88/75/52/654887552.db2.gz PQIJGWSTLNFACT-UHFFFAOYSA-N 1 0 380.286 2.355 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cnc3C#N)CC2)CC1 ZINC001164613840 719023478 /nfs/dbraw/zinc/02/34/78/719023478.db2.gz HEMACOBKLGLEJE-UHFFFAOYSA-N 1 0 377.876 2.246 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC001164616449 719025930 /nfs/dbraw/zinc/02/59/30/719025930.db2.gz FKCWWGXOKGKUIE-UHFFFAOYSA-N 1 0 387.440 2.105 20 30 GEEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164710417 720134960 /nfs/dbraw/zinc/13/49/60/720134960.db2.gz BDZAPEMQDSPCEJ-HXUWFJFHSA-N 1 0 392.507 2.445 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164817203 720167208 /nfs/dbraw/zinc/16/72/08/720167208.db2.gz OWKZNQVIWIHWFR-PGRDOPGGSA-N 1 0 384.524 2.182 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001164820033 720187516 /nfs/dbraw/zinc/18/75/16/720187516.db2.gz ZDJIBHLUSFPHHV-DENIHFKCSA-N 1 0 382.508 2.211 20 30 GEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164743038 720621107 /nfs/dbraw/zinc/62/11/07/720621107.db2.gz OKMLXOAGHORTGC-GJZGRUSLSA-N 1 0 384.871 2.355 20 30 GEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164743040 720621783 /nfs/dbraw/zinc/62/17/83/720621783.db2.gz OKMLXOAGHORTGC-LSDHHAIUSA-N 1 0 384.871 2.355 20 30 GEEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739726 720697741 /nfs/dbraw/zinc/69/77/41/720697741.db2.gz PAVBJKNFDVECMT-QWHCGFSZSA-N 1 0 391.262 2.392 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]2C1 ZINC001164861201 720864940 /nfs/dbraw/zinc/86/49/40/720864940.db2.gz XPMKHNZBIVCHON-UXHICEINSA-N 1 0 387.600 2.484 20 30 GEEDRO N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866038 721060895 /nfs/dbraw/zinc/06/08/95/721060895.db2.gz BXKFRCQTPDOGHL-RBUKOAKNSA-N 1 0 386.459 2.376 20 30 GEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@@H]3C2)cn1 ZINC001164769880 721127949 /nfs/dbraw/zinc/12/79/49/721127949.db2.gz PXTGGJFGQONMHB-PBHICJAKSA-N 1 0 381.871 2.170 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887692 721404179 /nfs/dbraw/zinc/40/41/79/721404179.db2.gz MJQDKWNNCWWJQL-QUCCMNQESA-N 1 0 389.931 2.372 20 30 GEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)c(F)cc2C#N)CC1 ZINC001165008495 721730219 /nfs/dbraw/zinc/73/02/19/721730219.db2.gz PIZUJUDPGHXKOH-UHFFFAOYSA-N 1 0 379.867 2.269 20 30 GEEDRO N#Cc1ncc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982833 722106191 /nfs/dbraw/zinc/10/61/91/722106191.db2.gz PHIPQZADAAKYHI-NVXWUHKLSA-N 1 0 384.871 2.124 20 30 GEEDRO COc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164977381 722110480 /nfs/dbraw/zinc/11/04/80/722110480.db2.gz MVCRJAKCBCCVLP-FXAWDEMLSA-N 1 0 379.464 2.084 20 30 GEEDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C=NO)c1 ZINC001164980289 722134430 /nfs/dbraw/zinc/13/44/30/722134430.db2.gz MNVUHMDYPIVHNN-ICSRJNTNSA-N 1 0 381.480 2.320 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(CC#N)cc1Cl)CCC2 ZINC001165004852 722257284 /nfs/dbraw/zinc/25/72/84/722257284.db2.gz WCFDIXXBYPADOT-UHFFFAOYSA-N 1 0 388.903 2.486 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000024375306 531602153 /nfs/dbraw/zinc/60/21/53/531602153.db2.gz JYQPMHZQBZERHH-LBPRGKRZSA-N 1 0 384.274 2.160 20 30 GEEDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155170381 531662613 /nfs/dbraw/zinc/66/26/13/531662613.db2.gz BLYINKJFWZDEIW-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO CNC(=O)C(C)(C)CNC(=[NH+]C)N(C)Cc1ccc(Br)s1 ZINC000156130992 531716884 /nfs/dbraw/zinc/71/68/84/531716884.db2.gz OXVQEMHATMJLGO-UHFFFAOYSA-N 1 0 375.336 2.290 20 30 GEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211501 531775778 /nfs/dbraw/zinc/77/57/78/531775778.db2.gz QJZDIKWWSGMDMJ-OLZOCXBDSA-N 1 0 395.301 2.185 20 30 GEEDRO CCN(C)C(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120982090 532005133 /nfs/dbraw/zinc/00/51/33/532005133.db2.gz VBEQFIGVGYQWQH-QGZVFWFLSA-N 1 0 393.329 2.500 20 30 GEEDRO C[NH+]1CCN(c2ncccc2CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603282282 532087411 /nfs/dbraw/zinc/08/74/11/532087411.db2.gz GMABPBWKVATDOS-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000175962344 532121180 /nfs/dbraw/zinc/12/11/80/532121180.db2.gz WBHURIQGLCYTIP-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(I)cc2C)CC1 ZINC000175758350 532112765 /nfs/dbraw/zinc/11/27/65/532112765.db2.gz DHHGAPVDTCWRMQ-UHFFFAOYSA-N 1 0 383.233 2.278 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000178540878 532205242 /nfs/dbraw/zinc/20/52/42/532205242.db2.gz IMAXLGLNTNSVDD-UHFFFAOYSA-N 1 0 394.273 2.062 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)ccc2OC)c1C#N ZINC000133575532 532238490 /nfs/dbraw/zinc/23/84/90/532238490.db2.gz OJPMIFPXXVEHQA-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000136651346 532285436 /nfs/dbraw/zinc/28/54/36/532285436.db2.gz JIOOEKTVQZSPJZ-UHFFFAOYSA-N 1 0 383.290 2.310 20 30 GEEDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061536 532308458 /nfs/dbraw/zinc/30/84/58/532308458.db2.gz JMHXRFQQTJOCSY-HIFRSBDPSA-N 1 0 380.491 2.136 20 30 GEEDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061550 532308530 /nfs/dbraw/zinc/30/85/30/532308530.db2.gz JMHXRFQQTJOCSY-DZGCQCFKSA-N 1 0 380.491 2.136 20 30 GEEDRO CC1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000182835984 532318675 /nfs/dbraw/zinc/31/86/75/532318675.db2.gz YVMZDPIQOMLTSW-OAHLLOKOSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000188283577 532347736 /nfs/dbraw/zinc/34/77/36/532347736.db2.gz VBHQCBNLLRTPFR-ICDILTBESA-N 1 0 378.270 2.496 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000425066671 532362805 /nfs/dbraw/zinc/36/28/05/532362805.db2.gz PFHKSWFLFVHNAY-XJKSGUPXSA-N 1 0 378.270 2.252 20 30 GEEDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000590638247 532378758 /nfs/dbraw/zinc/37/87/58/532378758.db2.gz QHBVKNUZKCYKAQ-UHFFFAOYSA-N 1 0 379.302 2.078 20 30 GEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)C1 ZINC000590669014 532380355 /nfs/dbraw/zinc/38/03/55/532380355.db2.gz QFBXDXOTTIFLHY-MRXNPFEDSA-N 1 0 391.313 2.173 20 30 GEEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000591415714 532410745 /nfs/dbraw/zinc/41/07/45/532410745.db2.gz AYXLOPURWDKSBS-CYBMUJFWSA-N 1 0 393.285 2.248 20 30 GEEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000295226411 532422895 /nfs/dbraw/zinc/42/28/95/532422895.db2.gz WHHAJYWYMKFYQQ-UHFFFAOYSA-N 1 0 388.262 2.000 20 30 GEEDRO C=CCN1CC[C@H](N(C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388631 532422063 /nfs/dbraw/zinc/42/20/63/532422063.db2.gz VGOXOSJYCGHXFK-CVEARBPZSA-N 1 0 392.297 2.421 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@@H+]1C ZINC000592767274 532461687 /nfs/dbraw/zinc/46/16/87/532461687.db2.gz SGXSAXXQADWEDG-MLGOLLRUSA-N 1 0 391.313 2.356 20 30 GEEDRO C[N@H+]1CC=C(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592783812 532464490 /nfs/dbraw/zinc/46/44/90/532464490.db2.gz UWNDQOSQHWCOFW-UHFFFAOYSA-N 1 0 389.297 2.135 20 30 GEEDRO COC(=O)[C@]12C[N@H+](Cc3ccc(C#N)cc3Br)C[C@H]1COCC2 ZINC000373796063 532470324 /nfs/dbraw/zinc/47/03/24/532470324.db2.gz HLHSPDZMPBADKY-WMLDXEAASA-N 1 0 379.254 2.332 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000520246598 532486509 /nfs/dbraw/zinc/48/65/09/532486509.db2.gz WWKAYCUDUDIRRB-UHFFFAOYSA-N 1 0 376.254 2.329 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283471488 532541666 /nfs/dbraw/zinc/54/16/66/532541666.db2.gz GRDKPHVQEODBOT-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000246133119 532531783 /nfs/dbraw/zinc/53/17/83/532531783.db2.gz JUNKLCJIFFKIQE-GUYCJALGSA-N 1 0 376.507 2.376 20 30 GEEDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595346324 532557633 /nfs/dbraw/zinc/55/76/33/532557633.db2.gz UIOXWJXTIZJUEQ-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433310744 532563609 /nfs/dbraw/zinc/56/36/09/532563609.db2.gz DNWYOVAQWDOJDF-CQSZACIVSA-N 1 0 380.286 2.325 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283573904 532546205 /nfs/dbraw/zinc/54/62/05/532546205.db2.gz QODYOGNWFJSUMT-GWCFXTLKSA-N 1 0 382.258 2.263 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000432870213 532547582 /nfs/dbraw/zinc/54/75/82/532547582.db2.gz BJPXOURLCXPKGI-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@]1(O)CCSC1 ZINC000262044228 532583434 /nfs/dbraw/zinc/58/34/34/532583434.db2.gz YSUQHLIRTDQPOF-DZGCQCFKSA-N 1 0 378.325 2.060 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000376618602 532621226 /nfs/dbraw/zinc/62/12/26/532621226.db2.gz PEHFZNAPRSJSPA-UONOGXRCSA-N 1 0 379.258 2.305 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337379 532606196 /nfs/dbraw/zinc/60/61/96/532606196.db2.gz FBFPYLVSSNTMAT-HOCLYGCPSA-N 1 0 386.949 2.301 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000596909788 532609508 /nfs/dbraw/zinc/60/95/08/532609508.db2.gz WXYMWBWPSRSSBR-OAHLLOKOSA-N 1 0 393.285 2.384 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297917359 532612913 /nfs/dbraw/zinc/61/29/13/532612913.db2.gz SZMIWDHCDOGRAC-AWEZNQCLSA-N 1 0 379.913 2.389 20 30 GEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000597701276 532625192 /nfs/dbraw/zinc/62/51/92/532625192.db2.gz SACIVBKWPMFTOH-BLLLJJGKSA-N 1 0 391.313 2.308 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566909184 532629201 /nfs/dbraw/zinc/62/92/01/532629201.db2.gz GSZHWAHVQMKJCU-OSMZGAPFSA-N 1 0 389.315 2.338 20 30 GEEDRO CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000299439690 532717393 /nfs/dbraw/zinc/71/73/93/532717393.db2.gz VTMXIVOKJDRUBK-ARFHVFGLSA-N 1 0 376.551 2.237 20 30 GEEDRO N#Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)o1 ZINC000512885592 532778453 /nfs/dbraw/zinc/77/84/53/532778453.db2.gz SJUDCCWRFZWUDN-UHFFFAOYSA-N 1 0 398.282 2.372 20 30 GEEDRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329392738 532806583 /nfs/dbraw/zinc/80/65/83/532806583.db2.gz SHCPPJPGUCHVPF-CHWSQXEVSA-N 1 0 379.448 2.324 20 30 GEEDRO Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329623941 532809049 /nfs/dbraw/zinc/80/90/49/532809049.db2.gz SGRAMEMIVOGNMY-UHFFFAOYSA-N 1 0 393.285 2.374 20 30 GEEDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000329055062 532801976 /nfs/dbraw/zinc/80/19/76/532801976.db2.gz LXHHZJONRHVAGP-DZGCQCFKSA-N 1 0 383.539 2.403 20 30 GEEDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329787378 532811776 /nfs/dbraw/zinc/81/17/76/532811776.db2.gz RBSKIXBHOGQHIL-HNNXBMFYSA-N 1 0 385.555 2.041 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000330563708 532821444 /nfs/dbraw/zinc/82/14/44/532821444.db2.gz JFVCUHREEKGNFF-IAGOWNOFSA-N 1 0 391.313 2.252 20 30 GEEDRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1Br ZINC000273298885 532822458 /nfs/dbraw/zinc/82/24/58/532822458.db2.gz ZJTHTEZZYSJRDU-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO CS[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000330666706 532824517 /nfs/dbraw/zinc/82/45/17/532824517.db2.gz WQRWMVJSLMSMEG-JKSUJKDBSA-N 1 0 378.567 2.475 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000288679768 532834400 /nfs/dbraw/zinc/83/44/00/532834400.db2.gz BWYMLEDLTGTWRV-UHFFFAOYSA-N 1 0 378.270 2.092 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000331166432 532834790 /nfs/dbraw/zinc/83/47/90/532834790.db2.gz GWLXKYUNBBUCKZ-LSDHHAIUSA-N 1 0 386.315 2.271 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415397442 532844086 /nfs/dbraw/zinc/84/40/86/532844086.db2.gz RDZAQAWXZDZVJS-LBPRGKRZSA-N 1 0 396.285 2.068 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415480192 532846784 /nfs/dbraw/zinc/84/67/84/532846784.db2.gz GXONTANTXAUCQW-UHFFFAOYSA-N 1 0 398.301 2.396 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415651976 532852102 /nfs/dbraw/zinc/85/21/02/532852102.db2.gz HAHSSRKLXGKXRA-YPMHNXCESA-N 1 0 396.285 2.067 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000365407412 532910619 /nfs/dbraw/zinc/91/06/19/532910619.db2.gz WKJNXRFOCIUTCX-HNNXBMFYSA-N 1 0 398.326 2.066 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000293310406 532925058 /nfs/dbraw/zinc/92/50/58/532925058.db2.gz ICZYTWAGTOECOJ-UHFFFAOYSA-N 1 0 375.778 2.369 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000367475841 532925391 /nfs/dbraw/zinc/92/53/91/532925391.db2.gz SAJFGHPKNTWUJX-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293227219 532923812 /nfs/dbraw/zinc/92/38/12/532923812.db2.gz BVSCULYGEOQUDF-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO C#CCNC(=O)CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293482261 532927548 /nfs/dbraw/zinc/92/75/48/532927548.db2.gz FYNLGAIHJACCEJ-UHFFFAOYSA-N 1 0 397.288 2.409 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735426774 598391889 /nfs/dbraw/zinc/39/18/89/598391889.db2.gz WLPKIOFGXOFAQR-UHFFFAOYSA-N 1 0 383.500 2.439 20 30 GEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735419285 598764967 /nfs/dbraw/zinc/76/49/67/598764967.db2.gz RJGKEBUHNSJUPQ-INIZCTEOSA-N 1 0 396.495 2.299 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823914331 607552344 /nfs/dbraw/zinc/55/23/44/607552344.db2.gz GIAGIQASIMAZQH-GOSISDBHSA-N 1 0 380.408 2.497 20 30 GEEDRO CCOCC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681090 649951480 /nfs/dbraw/zinc/95/14/80/649951480.db2.gz SJRPGOOXJYXQOH-QZTJIDSGSA-N 1 0 396.329 2.419 20 30 GEEDRO N#Cc1ccc2ncc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)n2c1 ZINC000826386667 608585399 /nfs/dbraw/zinc/58/53/99/608585399.db2.gz NTQRLXRXBHCQRX-UHFFFAOYSA-N 1 0 399.462 2.098 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449652036 650044991 /nfs/dbraw/zinc/04/49/91/650044991.db2.gz PAZCFZJBSOCWPD-HUUCEWRRSA-N 1 0 378.270 2.443 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449841068 650053317 /nfs/dbraw/zinc/05/33/17/650053317.db2.gz JLOGAIJEAISFHO-UHFFFAOYSA-N 1 0 380.286 2.500 20 30 GEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449860050 650054252 /nfs/dbraw/zinc/05/42/52/650054252.db2.gz IHKLJKLGUOGNOC-OLZOCXBDSA-N 1 0 378.270 2.395 20 30 GEEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449913572 650055584 /nfs/dbraw/zinc/05/55/84/650055584.db2.gz RQXNJCMKHYWIQT-HNNXBMFYSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449926532 650055990 /nfs/dbraw/zinc/05/59/90/650055990.db2.gz CXCBUOPDXAHEAW-LRDDRELGSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc(Br)c1C#N ZINC000449930955 650056129 /nfs/dbraw/zinc/05/61/29/650056129.db2.gz NPWXLRUNTNTKDS-WFASDCNBSA-N 1 0 380.286 2.498 20 30 GEEDRO CS[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1[NH+](C)C ZINC000450264872 650063144 /nfs/dbraw/zinc/06/31/44/650063144.db2.gz HGMQTOJJZKDNND-CABCVRRESA-N 1 0 398.326 2.204 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451476223 650119112 /nfs/dbraw/zinc/11/91/12/650119112.db2.gz UEXNJMMCDYDCFA-HNNXBMFYSA-N 1 0 384.571 2.475 20 30 GEEDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1C#N ZINC000512861087 650555351 /nfs/dbraw/zinc/55/53/51/650555351.db2.gz MRAVMJXIQSTISJ-UHFFFAOYSA-N 1 0 387.292 2.272 20 30 GEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@H]2C1 ZINC000515293527 650590864 /nfs/dbraw/zinc/59/08/64/650590864.db2.gz LKOIOCWJLWIZDX-JKSUJKDBSA-N 1 0 378.270 2.256 20 30 GEEDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000519727917 650611510 /nfs/dbraw/zinc/61/15/10/650611510.db2.gz RYLRJSHTANIYBF-SECBINFHSA-N 1 0 378.267 2.078 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2COCCN2)cc1OCC ZINC000530181064 650717433 /nfs/dbraw/zinc/71/74/33/650717433.db2.gz JMDWZAFMXFXMBP-AWEZNQCLSA-N 1 0 385.302 2.491 20 30 GEEDRO C[N@@H+]1CC[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000535052423 650784188 /nfs/dbraw/zinc/78/41/88/650784188.db2.gz QBISRAFXUBLDOT-DOTOQJQBSA-N 1 0 391.313 2.110 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000104178643 643178733 /nfs/dbraw/zinc/17/87/33/643178733.db2.gz LPPISHVILUCJIQ-KRWDZBQOSA-N 1 0 384.933 2.283 20 30 GEEDRO C[NH+]=C(NCCc1ccc(I)s1)NC[C@@H]1CCCO1 ZINC000113871262 643405965 /nfs/dbraw/zinc/40/59/65/643405965.db2.gz RXGPGWIDQYZIBZ-JTQLQIEISA-N 1 0 393.294 2.239 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000125302634 643704934 /nfs/dbraw/zinc/70/49/34/643704934.db2.gz LWNKPYOSZBXSSK-INIZCTEOSA-N 1 0 380.286 2.394 20 30 GEEDRO CC(C)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127590509 643780163 /nfs/dbraw/zinc/78/01/63/643780163.db2.gz SHXZQDGKWKOIHY-KRWDZBQOSA-N 1 0 393.329 2.498 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)ccc2Br)c1C#N ZINC000128143247 643793296 /nfs/dbraw/zinc/79/32/96/643793296.db2.gz ADDRWAJFFQCONK-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000130771695 643850018 /nfs/dbraw/zinc/85/00/18/643850018.db2.gz ASWIJDJOFNKDDY-KBPBESRZSA-N 1 0 375.560 2.002 20 30 GEEDRO C[C@H](NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000133854384 643898340 /nfs/dbraw/zinc/89/83/40/643898340.db2.gz IVHIEUKVEDKIBX-QWRGUYRKSA-N 1 0 393.340 2.240 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000171095117 644307732 /nfs/dbraw/zinc/30/77/32/644307732.db2.gz DLBCEIQWRMTPRJ-AWEZNQCLSA-N 1 0 376.507 2.205 20 30 GEEDRO COc1ccsc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000177566145 644418455 /nfs/dbraw/zinc/41/84/55/644418455.db2.gz XBONFULKHGAQAJ-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N(C)C[C@H]1CCOC1 ZINC000261603913 645589129 /nfs/dbraw/zinc/58/91/29/645589129.db2.gz CUAUKRWAAXBPIA-GFCCVEGCSA-N 1 0 398.301 2.264 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000261725757 645596730 /nfs/dbraw/zinc/59/67/30/645596730.db2.gz GOXAQYNNRJAQKI-XJKSGUPXSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@]1(C)CCCO1 ZINC000261779490 645599457 /nfs/dbraw/zinc/59/94/57/645599457.db2.gz PCVSYFWELXGHIU-QGZVFWFLSA-N 1 0 398.301 2.454 20 30 GEEDRO CC[NH+]=C(NCc1csc(Br)c1)N1CCO[C@@H](COC)C1 ZINC000261803533 645601406 /nfs/dbraw/zinc/60/14/06/645601406.db2.gz HBSHZZDYDZKGJV-GFCCVEGCSA-N 1 0 376.320 2.323 20 30 GEEDRO C[NH+]=C(NCCSCc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262010179 645615363 /nfs/dbraw/zinc/61/53/63/645615363.db2.gz WLOHHYQCAVMVHD-UHFFFAOYSA-N 1 0 383.583 2.313 20 30 GEEDRO C=CC[NH+]=C(NCC(=O)N(C)C)N1CCc2c(Br)ccc(F)c2C1 ZINC000262278777 645623895 /nfs/dbraw/zinc/62/38/95/645623895.db2.gz IPQFXFJYFGYFBH-UHFFFAOYSA-N 1 0 397.292 2.166 20 30 GEEDRO CN(Cc1ccc(Cl)s1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262295292 645625030 /nfs/dbraw/zinc/62/50/30/645625030.db2.gz ZMUPOCBZHBSKBN-NSHDSACASA-N 1 0 375.947 2.376 20 30 GEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262792643 645646150 /nfs/dbraw/zinc/64/61/50/645646150.db2.gz OMNHEFOAZIJZIW-CYBMUJFWSA-N 1 0 381.318 2.108 20 30 GEEDRO C[NH+]=C(NCCn1cccn1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000263009028 645650187 /nfs/dbraw/zinc/65/01/87/645650187.db2.gz YKYVRRNOFDGQTE-OAHLLOKOSA-N 1 0 391.317 2.090 20 30 GEEDRO Cn1cc(I)c(CNC(=[NH2+])NC2CCCCCC2)n1 ZINC000263084947 645652001 /nfs/dbraw/zinc/65/20/01/645652001.db2.gz IFMIWUTUMCAYHX-UHFFFAOYSA-N 1 0 375.258 2.152 20 30 GEEDRO COc1cc(I)c(Cl)cc1CNC(=[NH2+])N1CCC1 ZINC000263206037 645657029 /nfs/dbraw/zinc/65/70/29/645657029.db2.gz YEOPDRSDFSXUOT-UHFFFAOYSA-N 1 0 379.629 2.474 20 30 GEEDRO Cc1csc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)n1 ZINC000263279271 645659742 /nfs/dbraw/zinc/65/97/42/645659742.db2.gz ZMIBBGMTQBBBPQ-CQSZACIVSA-N 1 0 384.571 2.254 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])CCSC)nc1C ZINC000269109929 646016315 /nfs/dbraw/zinc/01/63/15/646016315.db2.gz WDKIQKWUCRCAHH-VIFPVBQESA-N 1 0 384.556 2.204 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000271092162 646172657 /nfs/dbraw/zinc/17/26/57/646172657.db2.gz KMHUZCWHXKPYLM-CHWSQXEVSA-N 1 0 393.456 2.243 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275472330 646355006 /nfs/dbraw/zinc/35/50/06/646355006.db2.gz MBBBCCNXEOTGRK-CABCVRRESA-N 1 0 387.477 2.037 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000277599008 646448470 /nfs/dbraw/zinc/44/84/70/646448470.db2.gz ILFOELCKNCPQCP-UHFFFAOYSA-N 1 0 385.917 2.193 20 30 GEEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)C[C@H]2CO)cn1 ZINC000277905910 646480611 /nfs/dbraw/zinc/48/06/11/646480611.db2.gz XABUEBDUMIPLJO-HOTGVXAUSA-N 1 0 375.270 2.262 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278615230 646531216 /nfs/dbraw/zinc/53/12/16/646531216.db2.gz BWTBMFXJXWBHTQ-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000281748862 646795586 /nfs/dbraw/zinc/79/55/86/646795586.db2.gz XQMSFJOAGXULSP-UHFFFAOYSA-N 1 0 375.270 2.373 20 30 GEEDRO C#CCN(C)C(=O)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000299041774 647269813 /nfs/dbraw/zinc/26/98/13/647269813.db2.gz IPVULEFRCHMHNI-UHFFFAOYSA-N 1 0 384.307 2.365 20 30 GEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2Br)CC1 ZINC000303790354 647278281 /nfs/dbraw/zinc/27/82/81/647278281.db2.gz WCHXROWLEXZCFT-UHFFFAOYSA-N 1 0 383.290 2.474 20 30 GEEDRO COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000303777530 647278592 /nfs/dbraw/zinc/27/85/92/647278592.db2.gz IWWKMAQSOPRXBU-UHFFFAOYSA-N 1 0 382.873 2.054 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCC1(c2cccc(Br)c2)CC1 ZINC000304542532 647279225 /nfs/dbraw/zinc/27/92/25/647279225.db2.gz RPGLQMBIPDCIIZ-UHFFFAOYSA-N 1 0 395.345 2.107 20 30 GEEDRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000329717871 647324153 /nfs/dbraw/zinc/32/41/53/647324153.db2.gz YBLDMBQQQQTOOW-SNVBAGLBSA-N 1 0 377.919 2.287 20 30 GEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000331154651 647369189 /nfs/dbraw/zinc/36/91/89/647369189.db2.gz IUKSFWAPXJBGSU-NSHDSACASA-N 1 0 375.441 2.457 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000333230368 647466658 /nfs/dbraw/zinc/46/66/58/647466658.db2.gz UKMONJQZNWQJSB-IAGOWNOFSA-N 1 0 383.514 2.039 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000361694612 647563107 /nfs/dbraw/zinc/56/31/07/647563107.db2.gz ATSPZVXHCSYVLG-PMPSAXMXSA-N 1 0 383.901 2.084 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418616327 648305168 /nfs/dbraw/zinc/30/51/68/648305168.db2.gz MNTIXWQUYKMGCD-AWEZNQCLSA-N 1 0 376.448 2.282 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419682784 648363866 /nfs/dbraw/zinc/36/38/66/648363866.db2.gz KELMBTQZPYIWEM-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419694075 648365702 /nfs/dbraw/zinc/36/57/02/648365702.db2.gz PCSDLALQKVTGMN-UHFFFAOYSA-N 1 0 391.269 2.027 20 30 GEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419748344 648374467 /nfs/dbraw/zinc/37/44/67/648374467.db2.gz OMTFCNRRGMONQR-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420197831 648408856 /nfs/dbraw/zinc/40/88/56/648408856.db2.gz CCHJGLNLRWFOQF-MELADBBJSA-N 1 0 381.929 2.420 20 30 GEEDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+] ZINC000422557043 648559125 /nfs/dbraw/zinc/55/91/25/648559125.db2.gz VHUKBRMQTLBKMO-NQBHXWOUSA-N 1 0 386.315 2.315 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc(Br)c1C#N ZINC000425749821 648694274 /nfs/dbraw/zinc/69/42/74/648694274.db2.gz XEMYGTFFPSLGEX-UHFFFAOYSA-N 1 0 395.301 2.272 20 30 GEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000442793154 648849012 /nfs/dbraw/zinc/84/90/12/648849012.db2.gz PPZFVDPWCKJQTL-MRVWCRGKSA-N 1 0 386.233 2.313 20 30 GEEDRO Cn1c(Sc2cc(C#N)c(Br)cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000603291829 651477453 /nfs/dbraw/zinc/47/74/53/651477453.db2.gz ILKGUHRTZGJEPF-VIFPVBQESA-N 1 0 379.287 2.462 20 30 GEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000730137068 651591101 /nfs/dbraw/zinc/59/11/01/651591101.db2.gz CBAWIDANFADHSK-CQSZACIVSA-N 1 0 382.917 2.359 20 30 GEEDRO N#Cc1cnn2cc(C[NH2+]CCC(=O)Nc3ccc(Br)cc3)cnc12 ZINC000608782205 651607434 /nfs/dbraw/zinc/60/74/34/651607434.db2.gz PGZUIHKXZXXDAQ-UHFFFAOYSA-N 1 0 399.252 2.482 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588572 651628143 /nfs/dbraw/zinc/62/81/43/651628143.db2.gz ABQWXVFWRRNSTP-SWLSCSKDSA-N 1 0 379.810 2.188 20 30 GEEDRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1 ZINC000568032743 651646502 /nfs/dbraw/zinc/64/65/02/651646502.db2.gz PYPCSAXWMFQNKI-CQSZACIVSA-N 1 0 378.885 2.230 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000569946047 651736121 /nfs/dbraw/zinc/73/61/21/651736121.db2.gz FDCITZIDUONSGD-LLVKDONJSA-N 1 0 395.301 2.352 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C)cc2Br)c1C#N ZINC000571763295 651852545 /nfs/dbraw/zinc/85/25/45/651852545.db2.gz KOYOZAKHBBJGJS-UHFFFAOYSA-N 1 0 382.287 2.818 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccccc2Cl)cc1 ZINC000574400479 652019099 /nfs/dbraw/zinc/01/90/99/652019099.db2.gz RKDGMOVURMBKLK-HNNXBMFYSA-N 1 0 378.881 2.351 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccccc2Cl)cc1 ZINC000574400482 652019269 /nfs/dbraw/zinc/01/92/69/652019269.db2.gz RKDGMOVURMBKLK-OAHLLOKOSA-N 1 0 378.881 2.351 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000576013735 652090807 /nfs/dbraw/zinc/09/08/07/652090807.db2.gz YSNIFNFCCPAAPP-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+]1CCCC1 ZINC000577824268 652218743 /nfs/dbraw/zinc/21/87/43/652218743.db2.gz RQDDTGKGYWSFHX-JTQLQIEISA-N 1 0 390.278 2.222 20 30 GEEDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000578026685 652236917 /nfs/dbraw/zinc/23/69/17/652236917.db2.gz PBGHLWOORZEEBE-SNVBAGLBSA-N 1 0 390.278 2.080 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000578154549 652248352 /nfs/dbraw/zinc/24/83/52/652248352.db2.gz YXMDGOXTJRUVCX-LBPRGKRZSA-N 1 0 393.285 2.106 20 30 GEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000625701785 652367907 /nfs/dbraw/zinc/36/79/07/652367907.db2.gz AZYYJXLWPANEGS-CYBMUJFWSA-N 1 0 380.286 2.402 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000754247203 652430894 /nfs/dbraw/zinc/43/08/94/652430894.db2.gz MMADBCUBZOHSHI-UHFFFAOYSA-N 1 0 396.272 2.438 20 30 GEEDRO N#CCCOCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000582679553 652458792 /nfs/dbraw/zinc/45/87/92/652458792.db2.gz XNSDZEAJYWACAB-UHFFFAOYSA-N 1 0 381.274 2.425 20 30 GEEDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583782171 652497023 /nfs/dbraw/zinc/49/70/23/652497023.db2.gz YEMJUTUKQMQIIW-AWEZNQCLSA-N 1 0 375.416 2.481 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCSCc2ccccc2F)nc1 ZINC000584286399 652515245 /nfs/dbraw/zinc/51/52/45/652515245.db2.gz KNEDAKROBWMWCP-UHFFFAOYSA-N 1 0 379.482 2.389 20 30 GEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1 ZINC000760047452 652593733 /nfs/dbraw/zinc/59/37/33/652593733.db2.gz OJUHZGJXJUNKTC-CQSZACIVSA-N 1 0 375.922 2.301 20 30 GEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451126 652621719 /nfs/dbraw/zinc/62/17/19/652621719.db2.gz UVPBZUJHLRLQJO-INIZCTEOSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000593733528 652633907 /nfs/dbraw/zinc/63/39/07/652633907.db2.gz WODRYNIKLWUPNG-NUEKZKHPSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000593735915 652634399 /nfs/dbraw/zinc/63/43/99/652634399.db2.gz RCFMMWOMUXVZBN-DZKIICNBSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)n1 ZINC000594291158 652644374 /nfs/dbraw/zinc/64/43/74/652644374.db2.gz MAIDQHDKCGFAQZ-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000594436475 652648945 /nfs/dbraw/zinc/64/89/45/652648945.db2.gz JRQJKCOWLCOHHH-AWEZNQCLSA-N 1 0 391.273 2.439 20 30 GEEDRO COC[C@H](C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411213 652724922 /nfs/dbraw/zinc/72/49/22/652724922.db2.gz ZSARVEZWDGNYNN-DLBZAZTESA-N 1 0 382.302 2.293 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000764381647 652797643 /nfs/dbraw/zinc/79/76/43/652797643.db2.gz FWFQETQCRAICAP-CYBMUJFWSA-N 1 0 395.301 2.139 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000764499667 652802708 /nfs/dbraw/zinc/80/27/08/652802708.db2.gz QFMOJGUXUWSYPV-QGZVFWFLSA-N 1 0 391.313 2.276 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357058 652863731 /nfs/dbraw/zinc/86/37/31/652863731.db2.gz KWABOAWMPPSWEL-HOTGVXAUSA-N 1 0 383.286 2.143 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000600031905 652899360 /nfs/dbraw/zinc/89/93/60/652899360.db2.gz PVIXCNAFFIPFSQ-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C=C(Br)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769077884 653142284 /nfs/dbraw/zinc/14/22/84/653142284.db2.gz SVZOCBOFLUHFSM-HOTGVXAUSA-N 1 0 382.302 2.077 20 30 GEEDRO CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=S)NCCC[NH+](C)C)C1 ZINC000772843752 653168642 /nfs/dbraw/zinc/16/86/42/653168642.db2.gz DLNHASWJXLKTBQ-GFCCVEGCSA-N 1 0 378.489 2.147 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000808942861 653237320 /nfs/dbraw/zinc/23/73/20/653237320.db2.gz KRJLUNMDDPAGND-AWEZNQCLSA-N 1 0 382.302 2.038 20 30 GEEDRO CN(C)c1cc[nH+]cc1C=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000776183837 653341208 /nfs/dbraw/zinc/34/12/08/653341208.db2.gz QJXWACNNGWFHPM-UHFFFAOYSA-N 1 0 383.271 2.223 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(Br)cc1 ZINC000836317111 653344171 /nfs/dbraw/zinc/34/41/71/653344171.db2.gz COQSBCSMRXMNQG-HZPDHXFCSA-N 1 0 380.286 2.143 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000876784223 653447134 /nfs/dbraw/zinc/44/71/34/653447134.db2.gz BDNLYUXWAZXBRL-HIFRSBDPSA-N 1 0 386.949 2.355 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000779893039 653615136 /nfs/dbraw/zinc/61/51/36/653615136.db2.gz MUCFSHHFLONVEQ-HNNXBMFYSA-N 1 0 383.901 2.133 20 30 GEEDRO COCC[N@@H+]1CCC[C@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000861037837 653643907 /nfs/dbraw/zinc/64/39/07/653643907.db2.gz LNUWJFQIAYNMAR-AWEZNQCLSA-N 1 0 397.269 2.354 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000815082331 653650627 /nfs/dbraw/zinc/65/06/27/653650627.db2.gz LGFAMFNXVXFMQQ-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142520 653707524 /nfs/dbraw/zinc/70/75/24/653707524.db2.gz RHBGYSQZWRYUMH-HQJQHLMTSA-N 1 0 390.612 2.178 20 30 GEEDRO Cn1nc(Br)cc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000785447224 653709443 /nfs/dbraw/zinc/70/94/43/653709443.db2.gz KDKUEAHMIIEBBK-UHFFFAOYSA-N 1 0 375.274 2.208 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000817392386 653710134 /nfs/dbraw/zinc/71/01/34/653710134.db2.gz PONYJXYMHCZRKY-UHFFFAOYSA-N 1 0 376.400 2.193 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000863564428 653715619 /nfs/dbraw/zinc/71/56/19/653715619.db2.gz UBVZYJCDSIVEDM-RHSMWYFYSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000818584651 653734103 /nfs/dbraw/zinc/73/41/03/653734103.db2.gz TWYSKWSMGKKWSL-UHFFFAOYSA-N 1 0 376.254 2.388 20 30 GEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)nc1 ZINC000818952388 653739169 /nfs/dbraw/zinc/73/91/69/653739169.db2.gz KAIRRUPSMBFDQC-OAHLLOKOSA-N 1 0 391.269 2.157 20 30 GEEDRO CN1CC[NH+](CC2CCN(c3ncc(C#N)cc3Br)CC2)CC1 ZINC000881843823 653742659 /nfs/dbraw/zinc/74/26/59/653742659.db2.gz MWLWBWVVKKYDKA-UHFFFAOYSA-N 1 0 378.318 2.180 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787740920 653743174 /nfs/dbraw/zinc/74/31/74/653743174.db2.gz XKDOORZMLWIOHB-INIZCTEOSA-N 1 0 394.313 2.355 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)[NH+]1CCCCC1 ZINC000842202450 653747484 /nfs/dbraw/zinc/74/74/84/653747484.db2.gz NEYXOCMGHPGSTA-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(F)cc1Br ZINC000865463419 653766193 /nfs/dbraw/zinc/76/61/93/653766193.db2.gz ZZBQSFUBXIWPTO-NXVVXOECSA-N 1 0 398.232 2.213 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000820611567 653777964 /nfs/dbraw/zinc/77/79/64/653777964.db2.gz LTNFXVAJQMLBNV-KEYYUXOJSA-N 1 0 394.313 2.220 20 30 GEEDRO C#C[C@H](NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000820612710 653778493 /nfs/dbraw/zinc/77/84/93/653778493.db2.gz ZYGUMJMVEWENBA-VBQJREDUSA-N 1 0 394.313 2.220 20 30 GEEDRO C#C[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000820617640 653778868 /nfs/dbraw/zinc/77/88/68/653778868.db2.gz SUPHQFRSRQJIQH-MRXNPFEDSA-N 1 0 382.302 2.343 20 30 GEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000843098317 653779365 /nfs/dbraw/zinc/77/93/65/653779365.db2.gz VVNADWZUKKDXCY-RDJZCZTQSA-N 1 0 391.265 2.384 20 30 GEEDRO C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790027032 653784864 /nfs/dbraw/zinc/78/48/64/653784864.db2.gz QBDLMHIXSMLTKR-MRVWCRGKSA-N 1 0 380.539 2.156 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462060 653787589 /nfs/dbraw/zinc/78/75/89/653787589.db2.gz ZKKATZHWFFXYRF-XPTSAGLGSA-N 1 0 381.219 2.402 20 30 GEEDRO N#Cc1nc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000883097733 653826788 /nfs/dbraw/zinc/82/67/88/653826788.db2.gz SAZKKBZMRDCCCS-GFCCVEGCSA-N 1 0 394.273 2.091 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000884098022 653863468 /nfs/dbraw/zinc/86/34/68/653863468.db2.gz XPBBUYDTUPREBM-UIORMTCPSA-N 1 0 380.261 2.386 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156188 653866316 /nfs/dbraw/zinc/86/63/16/653866316.db2.gz VNRMKQQFZXLORB-FMHYQEOESA-N 1 0 392.297 2.472 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1[C@H]3Cc4c(cccc4Br)[C@@H]13)C2 ZINC000884450614 653877173 /nfs/dbraw/zinc/87/71/73/653877173.db2.gz NYNOJRWJDDZDKO-LAHVHZQISA-N 1 0 386.293 2.343 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000884458303 653877419 /nfs/dbraw/zinc/87/74/19/653877419.db2.gz BDKSBLFAFBRKNC-DAPGNIFFSA-N 1 0 386.293 2.343 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884956521 653898282 /nfs/dbraw/zinc/89/82/82/653898282.db2.gz ARESYHGAAITWQZ-KBPBESRZSA-N 1 0 384.299 2.226 20 30 GEEDRO CCC(=NNCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000794853869 653922251 /nfs/dbraw/zinc/92/22/51/653922251.db2.gz UZQBCCQTXHPXJW-UHFFFAOYSA-N 1 0 386.949 2.438 20 30 GEEDRO C[NH+](C)CCCNC(=S)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000795000308 653926551 /nfs/dbraw/zinc/92/65/51/653926551.db2.gz BSSSWCBCGFYYIB-KRWDZBQOSA-N 1 0 379.961 2.348 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000867580361 653955594 /nfs/dbraw/zinc/95/55/94/653955594.db2.gz ABTFGGJQFSSMQI-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000886571123 653992125 /nfs/dbraw/zinc/99/21/25/653992125.db2.gz KBHFLPMEOIPATP-UHFFFAOYSA-N 1 0 395.257 2.109 20 30 GEEDRO C#CCN(C(=O)c1cn2c(Br)cnc2s1)C1CC[NH+](C)CC1 ZINC000886576006 653992733 /nfs/dbraw/zinc/99/27/33/653992733.db2.gz SSDNDBVPKFTABH-UHFFFAOYSA-N 1 0 381.299 2.328 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000886836595 654003569 /nfs/dbraw/zinc/00/35/69/654003569.db2.gz HQZBQTPLYPBIDW-UHFFFAOYSA-N 1 0 377.286 2.080 20 30 GEEDRO CN(C)C(NCc1ccccc1)=[NH+]Cc1nn(C)cc1I ZINC000849115146 654004998 /nfs/dbraw/zinc/00/49/98/654004998.db2.gz HMAMRSXRZXHYQV-UHFFFAOYSA-N 1 0 397.264 2.232 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)ncc1Br ZINC000868581995 654044699 /nfs/dbraw/zinc/04/46/99/654044699.db2.gz YLYYGPVLNYKDQG-UHFFFAOYSA-N 1 0 389.091 2.292 20 30 GEEDRO C[NH+]1CCC(NCc2cn(Cc3ccc(Br)cc3C#N)nn2)CC1 ZINC000900563166 654070027 /nfs/dbraw/zinc/07/00/27/654070027.db2.gz YMMCLVFETSAQJZ-UHFFFAOYSA-N 1 0 389.301 2.144 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)nc1C ZINC000870861927 654201151 /nfs/dbraw/zinc/20/11/51/654201151.db2.gz ZOXYCUQFQVKXCG-LSYCYVAJSA-N 1 0 376.511 2.251 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000903487941 654240578 /nfs/dbraw/zinc/24/05/78/654240578.db2.gz OCWCNMHQGBKVAS-MLGOLLRUSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000903510965 654244123 /nfs/dbraw/zinc/24/41/23/654244123.db2.gz LVGFXORGKWLMSO-LBPRGKRZSA-N 1 0 384.299 2.274 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1Br ZINC000903516262 654245938 /nfs/dbraw/zinc/24/59/38/654245938.db2.gz YHIJIYIKBQJOBL-ABAIWWIYSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000903516889 654246469 /nfs/dbraw/zinc/24/64/69/654246469.db2.gz DYMQVVQOCRSAPP-MRXNPFEDSA-N 1 0 398.326 2.475 20 30 GEEDRO COC(=O)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000852813805 654261388 /nfs/dbraw/zinc/26/13/88/654261388.db2.gz PROZCBGPULQWKL-MRXNPFEDSA-N 1 0 393.281 2.173 20 30 GEEDRO C=CCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000853252209 654289490 /nfs/dbraw/zinc/28/94/90/654289490.db2.gz KQDCGQFLJOYMER-AWEZNQCLSA-N 1 0 380.539 2.324 20 30 GEEDRO CCCOc1c(Br)cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1OC ZINC000834506750 654330621 /nfs/dbraw/zinc/33/06/21/654330621.db2.gz VOHRZIQWRROUFX-WCQYABFASA-N 1 0 382.258 2.088 20 30 GEEDRO CCOc1cc(Br)c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000834512578 654331254 /nfs/dbraw/zinc/33/12/54/654331254.db2.gz YVXSJPCCNMJGTH-TZMCWYRMSA-N 1 0 396.285 2.017 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968912 654349227 /nfs/dbraw/zinc/34/92/27/654349227.db2.gz HGESAORQYJTBLA-ZBFHGGJFSA-N 1 0 399.310 2.147 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000922022861 654355888 /nfs/dbraw/zinc/35/58/88/654355888.db2.gz CDPVHVRUDGDWIY-UHFFFAOYSA-N 1 0 389.290 2.306 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000922022044 654355900 /nfs/dbraw/zinc/35/59/00/654355900.db2.gz FEEOBVBSTUSIRR-UHFFFAOYSA-N 1 0 389.836 2.105 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852592 654384959 /nfs/dbraw/zinc/38/49/59/654384959.db2.gz JKLHSHSPOKWNSA-GWCFXTLKSA-N 1 0 382.258 2.263 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922617235 654403518 /nfs/dbraw/zinc/40/35/18/654403518.db2.gz HMUHHFGPHLDFMP-KRWDZBQOSA-N 1 0 389.901 2.207 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906414826 654435720 /nfs/dbraw/zinc/43/57/20/654435720.db2.gz WMQRTZSQIFDYOP-UHFFFAOYSA-N 1 0 395.301 2.253 20 30 GEEDRO Cn1nc(Br)nc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000894535679 654483724 /nfs/dbraw/zinc/48/37/24/654483724.db2.gz WAIUDQQSVMOMBD-UHFFFAOYSA-N 1 0 391.273 2.324 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907052876 654504246 /nfs/dbraw/zinc/50/42/46/654504246.db2.gz HYRQBWSQQKUWMN-LRDDRELGSA-N 1 0 398.326 2.426 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907240081 654523018 /nfs/dbraw/zinc/52/30/18/654523018.db2.gz OVTBQLXPVCBXSS-ZDUSSCGKSA-N 1 0 386.315 2.424 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907318797 654531311 /nfs/dbraw/zinc/53/13/11/654531311.db2.gz NMWGTILLMRMUEL-ABAIWWIYSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000928658704 654655175 /nfs/dbraw/zinc/65/51/75/654655175.db2.gz ZEFOWPHOQTXDJF-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000909261890 654657753 /nfs/dbraw/zinc/65/77/53/654657753.db2.gz PCVHWTJYZZERQQ-UHFFFAOYSA-N 1 0 396.333 2.042 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2c(Br)cnn2c1 ZINC000930704520 654717733 /nfs/dbraw/zinc/71/77/33/654717733.db2.gz YLDAQBQMJBMWRY-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(Br)c2ccccn21 ZINC000930703721 654717750 /nfs/dbraw/zinc/71/77/50/654717750.db2.gz RMCVUGXYKXUZEX-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncc(Br)cn1 ZINC000930979853 654725544 /nfs/dbraw/zinc/72/55/44/654725544.db2.gz QFLVCJAQCXONGT-UHFFFAOYSA-N 1 0 388.269 2.315 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912081672 654742326 /nfs/dbraw/zinc/74/23/26/654742326.db2.gz KGZWVFSFZPNCCU-UHFFFAOYSA-N 1 0 396.310 2.459 20 30 GEEDRO O[C@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939758 654794772 /nfs/dbraw/zinc/79/47/72/654794772.db2.gz JFUIMXKSNYACML-XHNCKOQMSA-N 1 0 383.279 2.365 20 30 GEEDRO CON(C)C(=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943116 654795269 /nfs/dbraw/zinc/79/52/69/654795269.db2.gz KVCLJKITSRHCNF-HTQZYQBOSA-N 1 0 384.267 2.499 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC#CC[NH+](C)C ZINC000913520575 654797049 /nfs/dbraw/zinc/79/70/49/654797049.db2.gz SVBGZDZDLFMWNV-UHFFFAOYSA-N 1 0 375.270 2.238 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(Br)c3ccccn32)CC1 ZINC000933352992 654809735 /nfs/dbraw/zinc/80/97/35/654809735.db2.gz SWCHQMDVCKEGFB-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436744 654812907 /nfs/dbraw/zinc/81/29/07/654812907.db2.gz HCBLAVCYCGQPBP-RDTXWAMCSA-N 1 0 396.329 2.340 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437370 654813240 /nfs/dbraw/zinc/81/32/40/654813240.db2.gz NATXTAXUFHXTCY-KRWDZBQOSA-N 1 0 382.302 2.094 20 30 GEEDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1CC#N ZINC001164814525 720239064 /nfs/dbraw/zinc/23/90/64/720239064.db2.gz XAGLSXTZRRMSSD-UHFFFAOYSA-N 1 0 380.496 2.263 20 30 GEEDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C=NO)c1 ZINC001164831340 720331557 /nfs/dbraw/zinc/33/15/57/720331557.db2.gz RBXVUDQIJVBZCC-OALUTQOASA-N 1 0 385.512 2.110 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838498 720541610 /nfs/dbraw/zinc/54/16/10/720541610.db2.gz OCYOICIHELWLPR-RYQLBKOJSA-N 1 0 395.467 2.436 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164838499 720542207 /nfs/dbraw/zinc/54/22/07/720542207.db2.gz OCYOICIHELWLPR-SZMVWBNQSA-N 1 0 395.467 2.436 20 30 GEEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739372 720754008 /nfs/dbraw/zinc/75/40/08/720754008.db2.gz IJHYPKFBAIYHQE-RTBURBONSA-N 1 0 399.458 2.147 20 30 GEEDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C#N ZINC001164742097 720823932 /nfs/dbraw/zinc/82/39/32/720823932.db2.gz PTGXZYMRBBLANU-YZGWKJHDSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1CC#N ZINC001164745213 720850277 /nfs/dbraw/zinc/85/02/77/720850277.db2.gz MUFVDMUWQKATIS-QHAWAJNXSA-N 1 0 391.523 2.427 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1CC#N ZINC001164745211 720850395 /nfs/dbraw/zinc/85/03/95/720850395.db2.gz MUFVDMUWQKATIS-PCCBWWKXSA-N 1 0 391.523 2.427 20 30 GEEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771082 721298854 /nfs/dbraw/zinc/29/88/54/721298854.db2.gz XJGNOIAWJWDULM-MRXNPFEDSA-N 1 0 391.475 2.332 20 30 GEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907315 721532247 /nfs/dbraw/zinc/53/22/47/721532247.db2.gz MXSBXKRMSXTTCZ-RDJZCZTQSA-N 1 0 383.383 2.342 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906040 721553368 /nfs/dbraw/zinc/55/33/68/721553368.db2.gz IJVBAPDTKIAORW-IEBWSBKVSA-N 1 0 396.466 2.478 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001164927940 721869826 /nfs/dbraw/zinc/86/98/26/721869826.db2.gz XHEBLHBWOAMGFF-JRGCBEDISA-N 1 0 394.498 2.486 20 30 GEEDRO Cc1ncc(C#N)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963166 722054681 /nfs/dbraw/zinc/05/46/81/722054681.db2.gz HULGQLYVIMZKSD-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO N#CCCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000153249724 531594096 /nfs/dbraw/zinc/59/40/96/531594096.db2.gz DAAMKMSDRDNODI-UHFFFAOYSA-N 1 0 385.917 2.406 20 30 GEEDRO C[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CCCC1 ZINC000155198009 531664059 /nfs/dbraw/zinc/66/40/59/531664059.db2.gz CXBJQDOVLZMNPF-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000122083766 532057144 /nfs/dbraw/zinc/05/71/44/532057144.db2.gz SSFFCGRLDZORKC-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000122174204 532059957 /nfs/dbraw/zinc/05/99/57/532059957.db2.gz ZSGPRLJPENRLKN-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736562 532075538 /nfs/dbraw/zinc/07/55/38/532075538.db2.gz UYQSVMIQSSCXSP-IUODEOHRSA-N 1 0 383.279 2.084 20 30 GEEDRO C#CCCOc1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000129291719 532175864 /nfs/dbraw/zinc/17/58/64/532175864.db2.gz KUNKHPOCSSLYQC-INIZCTEOSA-N 1 0 379.503 2.075 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179668861 532240593 /nfs/dbraw/zinc/24/05/93/532240593.db2.gz GIFOSLMXTYDWED-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000557787970 532372489 /nfs/dbraw/zinc/37/24/89/532372489.db2.gz ZLGHMNZNKIKUTI-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000425067090 532362919 /nfs/dbraw/zinc/36/29/19/532362919.db2.gz QQFZJISAQTWDJB-SWLSCSKDSA-N 1 0 378.270 2.252 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)ccc(Br)c1C#N ZINC000425746420 532392209 /nfs/dbraw/zinc/39/22/09/532392209.db2.gz TZWNNQARHFBCKN-UHFFFAOYSA-N 1 0 393.285 2.026 20 30 GEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)CC1 ZINC000425770355 532393572 /nfs/dbraw/zinc/39/35/72/532393572.db2.gz OWVKXNUMMZAETQ-UHFFFAOYSA-N 1 0 393.285 2.122 20 30 GEEDRO Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc(Br)c1C#N ZINC000425773603 532394291 /nfs/dbraw/zinc/39/42/91/532394291.db2.gz XRPZKPHPVQSEEV-GFCCVEGCSA-N 1 0 393.285 2.120 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000295125726 532406355 /nfs/dbraw/zinc/40/63/55/532406355.db2.gz MZNUOZDKHYNGOM-UHFFFAOYSA-N 1 0 378.270 2.258 20 30 GEEDRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000591413696 532411709 /nfs/dbraw/zinc/41/17/09/532411709.db2.gz QIFUXPBHNDEONT-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000592364800 532452400 /nfs/dbraw/zinc/45/24/00/532452400.db2.gz CUHFWTVPRQXQGC-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO COc1cc(Br)c(CN2CCC(n3cnc(C#N)n3)CC2)cc1O ZINC000373465279 532451719 /nfs/dbraw/zinc/45/17/19/532451719.db2.gz JYUPJXCXAGSYGD-UHFFFAOYSA-N 1 0 392.257 2.464 20 30 GEEDRO CSC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[NH+](C)CC1 ZINC000562149455 532459604 /nfs/dbraw/zinc/45/96/04/532459604.db2.gz DNBDZBLETSTZPH-UHFFFAOYSA-N 1 0 380.901 2.094 20 30 GEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593568088 532488766 /nfs/dbraw/zinc/48/87/66/532488766.db2.gz DFUWYSXXVOMCOG-UHFFFAOYSA-N 1 0 385.555 2.379 20 30 GEEDRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000593560334 532488806 /nfs/dbraw/zinc/48/88/06/532488806.db2.gz DPUFUYYAIJLSPD-CABCVRRESA-N 1 0 382.327 2.367 20 30 GEEDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000593667358 532494368 /nfs/dbraw/zinc/49/43/68/532494368.db2.gz YDSPAQUXHWCMRI-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000594504808 532512633 /nfs/dbraw/zinc/51/26/33/532512633.db2.gz LCTBKEZGXQKOOY-INIZCTEOSA-N 1 0 378.519 2.474 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000521862847 532519468 /nfs/dbraw/zinc/51/94/68/532519468.db2.gz MLOPYOUSSGJHMW-MRXNPFEDSA-N 1 0 380.535 2.366 20 30 GEEDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595345488 532557980 /nfs/dbraw/zinc/55/79/80/532557980.db2.gz QDMAZJLHYWYQLE-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H](O)c1cnn(C)c1 ZINC000262416406 532592724 /nfs/dbraw/zinc/59/27/24/532592724.db2.gz PZVPSLHIGLMAGM-CYBMUJFWSA-N 1 0 378.889 2.082 20 30 GEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N(C)Cc1ccc(Br)cc1 ZINC000262406321 532593404 /nfs/dbraw/zinc/59/34/04/532593404.db2.gz OOBZRIOTDORKEU-UHFFFAOYSA-N 1 0 379.258 2.348 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000566109772 532593665 /nfs/dbraw/zinc/59/36/65/532593665.db2.gz UAIXEZGEYQRXAH-ZDUSSCGKSA-N 1 0 392.244 2.346 20 30 GEEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1ccc(Br)s1 ZINC000262437147 532594318 /nfs/dbraw/zinc/59/43/18/532594318.db2.gz UBPKHYZTAKLGHW-ZDUSSCGKSA-N 1 0 378.361 2.386 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262002128 532581959 /nfs/dbraw/zinc/58/19/59/532581959.db2.gz UQZRNTIPPZNXPL-UHFFFAOYSA-N 1 0 394.360 2.095 20 30 GEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N(C)Cc1ccc(Br)cc1 ZINC000262786732 532601055 /nfs/dbraw/zinc/60/10/55/532601055.db2.gz MQEZPQBMOBETCQ-UHFFFAOYSA-N 1 0 384.318 2.245 20 30 GEEDRO C[NH+]=C(NCc1nccn1C)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262842852 532604354 /nfs/dbraw/zinc/60/43/54/532604354.db2.gz XSSVSOZHJMWOJB-AWEZNQCLSA-N 1 0 391.317 2.127 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337377 532606592 /nfs/dbraw/zinc/60/65/92/532606592.db2.gz FBFPYLVSSNTMAT-GOEBONIOSA-N 1 0 386.949 2.301 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(C[NH+](C)C)C1 ZINC000597707372 532626369 /nfs/dbraw/zinc/62/63/69/532626369.db2.gz FDHAHMCUUDFFLZ-UHFFFAOYSA-N 1 0 396.285 2.118 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000376891570 532634182 /nfs/dbraw/zinc/63/41/82/532634182.db2.gz CNOPWYFSKCDZBZ-QGZVFWFLSA-N 1 0 377.282 2.357 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000376891569 532634211 /nfs/dbraw/zinc/63/42/11/532634211.db2.gz CNOPWYFSKCDZBZ-KRWDZBQOSA-N 1 0 377.282 2.357 20 30 GEEDRO COc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccc1Cl ZINC000567161101 532643132 /nfs/dbraw/zinc/64/31/32/532643132.db2.gz MCVGKESWUFCEQB-UHFFFAOYSA-N 1 0 379.869 2.221 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000567707701 532658666 /nfs/dbraw/zinc/65/86/66/532658666.db2.gz BQQBFNWHHCUARU-AWEZNQCLSA-N 1 0 379.302 2.269 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000378233834 532685103 /nfs/dbraw/zinc/68/51/03/532685103.db2.gz USBAYZLAVJFKGH-CYBMUJFWSA-N 1 0 384.299 2.180 20 30 GEEDRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1Br ZINC000600750408 532681821 /nfs/dbraw/zinc/68/18/21/532681821.db2.gz VXYYNRJOSGZHGH-GJZGRUSLSA-N 1 0 397.313 2.253 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600756557 532681831 /nfs/dbraw/zinc/68/18/31/532681831.db2.gz RJADYQZVHBNTHV-OAHLLOKOSA-N 1 0 392.253 2.254 20 30 GEEDRO CCOCCOc1ccc(Br)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285577828 532693930 /nfs/dbraw/zinc/69/39/30/532693930.db2.gz TUNKIJDAYXCKQE-UHFFFAOYSA-N 1 0 394.273 2.117 20 30 GEEDRO C[C@H]1CCSCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502842973 532741168 /nfs/dbraw/zinc/74/11/68/532741168.db2.gz OOPNGJXGNLVSNL-JKSUJKDBSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000301359720 532749358 /nfs/dbraw/zinc/74/93/58/532749358.db2.gz PSUUURDKGOZQSG-GFCCVEGCSA-N 1 0 376.507 2.126 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000411250536 532751557 /nfs/dbraw/zinc/75/15/57/532751557.db2.gz ZJBRPCQAMUBKCI-LBPRGKRZSA-N 1 0 396.285 2.020 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286727362 532764974 /nfs/dbraw/zinc/76/49/74/532764974.db2.gz XPBYXICKZGYKMH-DYVFJYSZSA-N 1 0 382.302 2.254 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584231849 532767828 /nfs/dbraw/zinc/76/78/28/532767828.db2.gz TYZXXNCFKQSZLX-STQMWFEESA-N 1 0 398.326 2.331 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000549636675 532796495 /nfs/dbraw/zinc/79/64/95/532796495.db2.gz RQVAUJOAFRMOBH-YOEHRIQHSA-N 1 0 384.571 2.327 20 30 GEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287623871 532803537 /nfs/dbraw/zinc/80/35/37/532803537.db2.gz MXCKGWLQQZLVPG-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000288086544 532817210 /nfs/dbraw/zinc/81/72/10/532817210.db2.gz KFVPMTNUUKNCBM-ZDUSSCGKSA-N 1 0 398.326 2.427 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)C[NH+]1CCCC1 ZINC000330677178 532825319 /nfs/dbraw/zinc/82/53/19/532825319.db2.gz VBGOOGPRFMSWIM-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430360 532839169 /nfs/dbraw/zinc/83/91/69/532839169.db2.gz CAZRYNCMKPBEOZ-MEBBXXQBSA-N 1 0 384.299 2.082 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600581 532841999 /nfs/dbraw/zinc/84/19/99/532841999.db2.gz ZEFMPTZJBMQHBR-HZMBPMFUSA-N 1 0 384.299 2.082 20 30 GEEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328646197 206236312 /nfs/dbraw/zinc/23/63/12/206236312.db2.gz SMTBTRFEKPQDHE-LJQANCHMSA-N 1 0 395.507 2.372 20 30 GEEDRO C#CC[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000274160446 532843016 /nfs/dbraw/zinc/84/30/16/532843016.db2.gz MCSJNPAMCUVNAK-UHFFFAOYSA-N 1 0 383.901 2.017 20 30 GEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000415547419 532849324 /nfs/dbraw/zinc/84/93/24/532849324.db2.gz FURUJZWBXUXKEG-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@H+](CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@H]1CCSC1 ZINC000333124984 532864180 /nfs/dbraw/zinc/86/41/80/532864180.db2.gz HUFNAGYTABXINN-HNNXBMFYSA-N 1 0 378.929 2.298 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000333150477 532865499 /nfs/dbraw/zinc/86/54/99/532865499.db2.gz KMTOKGDRBKDGPO-ZFWWWQNUSA-N 1 0 398.326 2.426 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000333150458 532865393 /nfs/dbraw/zinc/86/53/93/532865393.db2.gz KMTOKGDRBKDGPO-DZGCQCFKSA-N 1 0 398.326 2.426 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000333649108 532871515 /nfs/dbraw/zinc/87/15/15/532871515.db2.gz JMKPUUFHOFFXGC-HOCLYGCPSA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)C[NH+]1CCCC1 ZINC000416370136 532872777 /nfs/dbraw/zinc/87/27/77/532872777.db2.gz KHASENCPOXFTOD-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333867748 532874531 /nfs/dbraw/zinc/87/45/31/532874531.db2.gz RJPSFQPIKIKFPK-IUODEOHRSA-N 1 0 398.326 2.473 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000370585989 532944328 /nfs/dbraw/zinc/94/43/28/532944328.db2.gz ZIYMQMNKNGGXTL-HNNXBMFYSA-N 1 0 384.571 2.276 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21 ZINC000371505562 532948377 /nfs/dbraw/zinc/94/83/77/532948377.db2.gz KBQPDVOMOXGLIO-DOMZBBRYSA-N 1 0 384.299 2.035 20 30 GEEDRO C=CC[N@H+](CCn1cnc2ccccc2c1=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418936 599232243 /nfs/dbraw/zinc/23/22/43/599232243.db2.gz LWHNQYDFFFUQIA-UHFFFAOYSA-N 1 0 387.447 2.265 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735420323 599614336 /nfs/dbraw/zinc/61/43/36/599614336.db2.gz OTHCAOBUGDERJQ-GOSISDBHSA-N 1 0 381.484 2.049 20 30 GEEDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000829780026 601301160 /nfs/dbraw/zinc/30/11/60/601301160.db2.gz AJEAXVCWUKHEDW-FQEVSTJZSA-N 1 0 379.464 2.011 20 30 GEEDRO C#CC[NH+](CC#C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698036 606450848 /nfs/dbraw/zinc/45/08/48/606450848.db2.gz QJEADEVGJSJRTQ-UHFFFAOYSA-N 1 0 382.493 2.094 20 30 GEEDRO CN(C)c1ccc(C(N)=[NH+]OCCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821589627 606837620 /nfs/dbraw/zinc/83/76/20/606837620.db2.gz WLSHOPLERNPBDW-UHFFFAOYSA-N 1 0 381.440 2.039 20 30 GEEDRO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826387640 609600130 /nfs/dbraw/zinc/60/01/30/609600130.db2.gz HVBPHBWAXJURPX-MRXNPFEDSA-N 1 0 379.449 2.085 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448606155 650017713 /nfs/dbraw/zinc/01/77/13/650017713.db2.gz SXNSBVKMGSGKTF-HNNXBMFYSA-N 1 0 380.286 2.407 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449652037 650044758 /nfs/dbraw/zinc/04/47/58/650044758.db2.gz PAZCFZJBSOCWPD-LSDHHAIUSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1ccc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000449789712 650050176 /nfs/dbraw/zinc/05/01/76/650050176.db2.gz HMKJSJKYNJPDRK-LBPRGKRZSA-N 1 0 378.270 2.300 20 30 GEEDRO C[NH+](C)CC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449878944 650054949 /nfs/dbraw/zinc/05/49/49/650054949.db2.gz DICKCEXPKGHISN-UHFFFAOYSA-N 1 0 380.286 2.500 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000450896249 650074361 /nfs/dbraw/zinc/07/43/61/650074361.db2.gz ZTSDHNBMWBYRPJ-HNNXBMFYSA-N 1 0 377.286 2.111 20 30 GEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@@H+]1C ZINC000451243256 650097638 /nfs/dbraw/zinc/09/76/38/650097638.db2.gz KKXQEANTZJKHHK-KOLCDFICSA-N 1 0 390.278 2.221 20 30 GEEDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000452089223 650172385 /nfs/dbraw/zinc/17/23/85/650172385.db2.gz PIHQXJRUKXPLLD-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453342626 650208155 /nfs/dbraw/zinc/20/81/55/650208155.db2.gz IPBDJPMLSSPCSY-GDLCADMTSA-N 1 0 389.315 2.481 20 30 GEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC1 ZINC000454095524 650252767 /nfs/dbraw/zinc/25/27/67/650252767.db2.gz GCCIJIFQSUNJKL-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000519727985 650611583 /nfs/dbraw/zinc/61/15/83/650611583.db2.gz RYLRJSHTANIYBF-VIFPVBQESA-N 1 0 378.267 2.078 20 30 GEEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)cc1Br ZINC000487851272 650738721 /nfs/dbraw/zinc/73/87/21/650738721.db2.gz BZDAMEVNMNLYNL-UHFFFAOYSA-N 1 0 381.274 2.147 20 30 GEEDRO C=C(C)CNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061252560 642842268 /nfs/dbraw/zinc/84/22/68/642842268.db2.gz MUERBPDBANIRDA-MRXNPFEDSA-N 1 0 375.604 2.045 20 30 GEEDRO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H](C)S1 ZINC000539368896 650843404 /nfs/dbraw/zinc/84/34/04/650843404.db2.gz WMFBRRHSVQEAMV-OWCLPIDISA-N 1 0 378.567 2.283 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000120857613 643625384 /nfs/dbraw/zinc/62/53/84/643625384.db2.gz FTHSMAMXCTWRAY-UHFFFAOYSA-N 1 0 386.311 2.376 20 30 GEEDRO CC[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000127162628 643760642 /nfs/dbraw/zinc/76/06/42/643760642.db2.gz BOHYGRNQGHVTSU-IAGOWNOFSA-N 1 0 393.329 2.498 20 30 GEEDRO CC[NH+]=C(NCc1scnc1C)N1CCN(c2nc(CC)ns2)CC1 ZINC000153155654 643978592 /nfs/dbraw/zinc/97/85/92/643978592.db2.gz FKXMZGVSKQRMRL-UHFFFAOYSA-N 1 0 379.559 2.153 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423387 644374007 /nfs/dbraw/zinc/37/40/07/644374007.db2.gz KGCDEIOHKHANGT-LLVKDONJSA-N 1 0 384.274 2.377 20 30 GEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178576337 644434637 /nfs/dbraw/zinc/43/46/37/644434637.db2.gz VQWMULNOFVAYQZ-CYBMUJFWSA-N 1 0 382.521 2.370 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181150520 644526484 /nfs/dbraw/zinc/52/64/84/644526484.db2.gz WJRILEHVEWJBPB-QGZVFWFLSA-N 1 0 391.313 2.059 20 30 GEEDRO [NH2+]=C(NCc1cc(Br)ccc1F)N1CCN(c2ncccn2)CC1 ZINC000261973136 645614810 /nfs/dbraw/zinc/61/48/10/645614810.db2.gz DYCHWJZQPNZIGG-UHFFFAOYSA-N 1 0 393.264 2.015 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(Cl)cc2I)CCO1 ZINC000262506081 645634434 /nfs/dbraw/zinc/63/44/34/645634434.db2.gz ZUGVWQKGZHKWNE-SECBINFHSA-N 1 0 393.656 2.480 20 30 GEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N(C)Cc1ccccc1Br ZINC000262518916 645634948 /nfs/dbraw/zinc/63/49/48/645634948.db2.gz DGUHFCDJKOFCSP-UHFFFAOYSA-N 1 0 377.290 2.194 20 30 GEEDRO C[NH+]=C(NCc1ccnn1C)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262737737 645643719 /nfs/dbraw/zinc/64/37/19/645643719.db2.gz CYVFWWKLMJQQLH-ZDUSSCGKSA-N 1 0 391.317 2.127 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271717711 646224322 /nfs/dbraw/zinc/22/43/22/646224322.db2.gz CMYBQNHDYRYRGA-JBEBIEQOSA-N 1 0 376.503 2.420 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275487724 646356901 /nfs/dbraw/zinc/35/69/01/646356901.db2.gz ORIGRSZJIAZQOU-HUUCEWRRSA-N 1 0 385.942 2.412 20 30 GEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293611938 647215627 /nfs/dbraw/zinc/21/56/27/647215627.db2.gz FDHKEAJJJOSTHN-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO CCS(=O)(=O)NCCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303968848 647278553 /nfs/dbraw/zinc/27/85/53/647278553.db2.gz BBHDNMMEOQWGQV-JTQLQIEISA-N 1 0 381.329 2.288 20 30 GEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000415474600 648106523 /nfs/dbraw/zinc/10/65/23/648106523.db2.gz DXEDCRJIAJXXTR-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432397 648126160 /nfs/dbraw/zinc/12/61/60/648126160.db2.gz JYONEYSOBPUGJK-ZFWWWQNUSA-N 1 0 398.326 2.426 20 30 GEEDRO C[N@H+](CCCCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000416505334 648152816 /nfs/dbraw/zinc/15/28/16/648152816.db2.gz COJKAUSASMPBEJ-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419644061 648359484 /nfs/dbraw/zinc/35/94/84/648359484.db2.gz JGPVJJQJPLIYBU-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419655947 648360093 /nfs/dbraw/zinc/36/00/93/648360093.db2.gz TXMRXQMDJAGTBI-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)CC[N@@H+]1C ZINC000419698718 648366504 /nfs/dbraw/zinc/36/65/04/648366504.db2.gz TYJCLAZTFSTRPG-DGCLKSJQSA-N 1 0 393.285 2.200 20 30 GEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732721 648372064 /nfs/dbraw/zinc/37/20/64/648372064.db2.gz SLJUQZFSDSEQTO-SWLSCSKDSA-N 1 0 389.315 2.167 20 30 GEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419733215 648372514 /nfs/dbraw/zinc/37/25/14/648372514.db2.gz TXAQPEUUMNWVSD-UHFFFAOYSA-N 1 0 395.301 2.450 20 30 GEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419748345 648374302 /nfs/dbraw/zinc/37/43/02/648374302.db2.gz OMTFCNRRGMONQR-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420197829 648408712 /nfs/dbraw/zinc/40/87/12/648408712.db2.gz CCHJGLNLRWFOQF-BFHYXJOUSA-N 1 0 381.929 2.420 20 30 GEEDRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2=O)ccc1Br ZINC000424172568 648615259 /nfs/dbraw/zinc/61/52/59/648615259.db2.gz NDMVALBPLRDPHX-LSDHHAIUSA-N 1 0 393.285 2.000 20 30 GEEDRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2=O)ccc1Br ZINC000424172566 648615356 /nfs/dbraw/zinc/61/53/56/648615356.db2.gz NDMVALBPLRDPHX-HUUCEWRRSA-N 1 0 393.285 2.000 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000424189050 648616103 /nfs/dbraw/zinc/61/61/03/648616103.db2.gz MPWNCLBVXARETO-GFCCVEGCSA-N 1 0 378.230 2.136 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000424214265 648619270 /nfs/dbraw/zinc/61/92/70/648619270.db2.gz XGPXHWCACISUCP-CYBMUJFWSA-N 1 0 397.269 2.260 20 30 GEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425719841 648690856 /nfs/dbraw/zinc/69/08/56/648690856.db2.gz CQAFRUQCYZCHPY-UHFFFAOYSA-N 1 0 395.301 2.416 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc(Br)c1C#N ZINC000425738817 648692318 /nfs/dbraw/zinc/69/23/18/648692318.db2.gz IDJMTSOVRCGPJZ-JTQLQIEISA-N 1 0 393.285 2.167 20 30 GEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)C(C)C ZINC000425738327 648692396 /nfs/dbraw/zinc/69/23/96/648692396.db2.gz HOOKOCSIAJPHEO-UHFFFAOYSA-N 1 0 395.301 2.414 20 30 GEEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708408 648765952 /nfs/dbraw/zinc/76/59/52/648765952.db2.gz SRJNXDRYBAPPJK-NSHDSACASA-N 1 0 377.304 2.340 20 30 GEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000442793156 648848869 /nfs/dbraw/zinc/84/88/69/648848869.db2.gz PPZFVDPWCKJQTL-XBFCOCLRSA-N 1 0 386.233 2.313 20 30 GEEDRO C[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000553480105 651177152 /nfs/dbraw/zinc/17/71/52/651177152.db2.gz BDOUZLFBFKRWED-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(Br)c2)c1C#N ZINC000555218291 651220722 /nfs/dbraw/zinc/22/07/22/651220722.db2.gz MXBLLSOMZSROBK-NSHDSACASA-N 1 0 390.285 2.938 20 30 GEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000555881367 651231759 /nfs/dbraw/zinc/23/17/59/651231759.db2.gz BTGHRCLUOOHBLP-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000556099490 651236422 /nfs/dbraw/zinc/23/64/22/651236422.db2.gz RPJHRWHWKQWBNY-UHFFFAOYSA-N 1 0 395.301 2.305 20 30 GEEDRO CN(c1cc(C#N)c(Br)cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603293633 651477733 /nfs/dbraw/zinc/47/77/33/651477733.db2.gz TWOLALSKVFSHHL-HNNXBMFYSA-N 1 0 378.318 2.320 20 30 GEEDRO C[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000603332451 651481736 /nfs/dbraw/zinc/48/17/36/651481736.db2.gz LIZICWKXWYWMJZ-CJNGLKHVSA-N 1 0 378.318 2.178 20 30 GEEDRO C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000603344229 651482748 /nfs/dbraw/zinc/48/27/48/651482748.db2.gz NZLWVZNURBWSOC-IAGOWNOFSA-N 1 0 381.567 2.167 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566215859 651603655 /nfs/dbraw/zinc/60/36/55/651603655.db2.gz ANNAXWIJDRAFNC-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1[NH+](C)C ZINC000611432560 651723806 /nfs/dbraw/zinc/72/38/06/651723806.db2.gz HVJIKVJLWKXPSV-DIOULYMOSA-N 1 0 378.567 2.413 20 30 GEEDRO N#Cc1cc(F)c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000575816527 652079646 /nfs/dbraw/zinc/07/96/46/652079646.db2.gz SGGLHKXZGXKVOS-NSHDSACASA-N 1 0 383.265 2.459 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000623635115 652250349 /nfs/dbraw/zinc/25/03/49/652250349.db2.gz VJJYDETWNUAORE-UHFFFAOYSA-N 1 0 383.290 2.302 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000578769243 652292326 /nfs/dbraw/zinc/29/23/26/652292326.db2.gz OHAKVZPHTISSSW-CORIIIEPSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000578769246 652292413 /nfs/dbraw/zinc/29/24/13/652292413.db2.gz OHAKVZPHTISSSW-WHOFXGATSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580174975 652369094 /nfs/dbraw/zinc/36/90/94/652369094.db2.gz YTPCGGNFPJAWKB-CZUORRHYSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626894507 652408663 /nfs/dbraw/zinc/40/86/63/652408663.db2.gz ZLTVKQQQZYNWAV-YPMHNXCESA-N 1 0 396.285 2.209 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Cl ZINC000581717094 652423262 /nfs/dbraw/zinc/42/32/62/652423262.db2.gz UCTZGKIJBFYTPG-YOEHRIQHSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000582721634 652460513 /nfs/dbraw/zinc/46/05/13/652460513.db2.gz WKEMFYYBORBTOG-MRXNPFEDSA-N 1 0 380.286 2.404 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000756548960 652500727 /nfs/dbraw/zinc/50/07/27/652500727.db2.gz CULAYANWQNUFNJ-INIZCTEOSA-N 1 0 393.281 2.210 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Br)s2)nc1 ZINC000584685170 652525583 /nfs/dbraw/zinc/52/55/83/652525583.db2.gz MIZOZFBJXVJTEQ-UHFFFAOYSA-N 1 0 386.296 2.341 20 30 GEEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000588637788 652553500 /nfs/dbraw/zinc/55/35/00/652553500.db2.gz PDIRXOTZEYMHTK-AWEZNQCLSA-N 1 0 393.285 2.248 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593390494 652619298 /nfs/dbraw/zinc/61/92/98/652619298.db2.gz DYTMSAIGVCLNNU-QGZVFWFLSA-N 1 0 394.313 2.336 20 30 GEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1CC[NH3+] ZINC000593736412 652634313 /nfs/dbraw/zinc/63/43/13/652634313.db2.gz RURXAMLAZZSGPA-XHDPSFHLSA-N 1 0 386.315 2.459 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428548 652648443 /nfs/dbraw/zinc/64/84/43/652648443.db2.gz ZFGOUVMEHYRKOU-ZDUSSCGKSA-N 1 0 381.274 2.224 20 30 GEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC000594939721 652697641 /nfs/dbraw/zinc/69/76/41/652697641.db2.gz DHFWUYLSVVPDOY-UHFFFAOYSA-N 1 0 387.612 2.198 20 30 GEEDRO C=CCCSCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000594969009 652698565 /nfs/dbraw/zinc/69/85/65/652698565.db2.gz UPOQBYQTPRABAQ-UHFFFAOYSA-N 1 0 379.345 2.495 20 30 GEEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000595120821 652705868 /nfs/dbraw/zinc/70/58/68/652705868.db2.gz XLLSWHWEJVHERS-HOTGVXAUSA-N 1 0 377.491 2.052 20 30 GEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000596050101 652751941 /nfs/dbraw/zinc/75/19/41/652751941.db2.gz IMTBFBUKTQEUHU-JTQLQIEISA-N 1 0 375.294 2.087 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723647 652831586 /nfs/dbraw/zinc/83/15/86/652831586.db2.gz JFIBQMWWWOUKDS-HUUCEWRRSA-N 1 0 380.286 2.445 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000599102187 652849545 /nfs/dbraw/zinc/84/95/45/652849545.db2.gz OZCIIUOUQNKIGM-ZYHUDNBSSA-N 1 0 381.807 2.359 20 30 GEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000599352153 652863554 /nfs/dbraw/zinc/86/35/54/652863554.db2.gz NYOZLLDPFFPZSV-IRXDYDNUSA-N 1 0 397.313 2.486 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000599416746 652869876 /nfs/dbraw/zinc/86/98/76/652869876.db2.gz YAFLNJUJYDWPQM-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470175 652917618 /nfs/dbraw/zinc/91/76/18/652917618.db2.gz GXXMHVZPTCVFED-YGRLFVJLSA-N 1 0 381.267 2.437 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000601974999 653134884 /nfs/dbraw/zinc/13/48/84/653134884.db2.gz XUGBPFMTEUWHBA-MRXNPFEDSA-N 1 0 378.881 2.351 20 30 GEEDRO C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000771976726 653135156 /nfs/dbraw/zinc/13/51/56/653135156.db2.gz CGECRKVRFQHTIY-UHFFFAOYSA-N 1 0 378.519 2.445 20 30 GEEDRO C=CCN1CC[C@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641109119 653157738 /nfs/dbraw/zinc/15/77/38/653157738.db2.gz PMQVLARHDKDYKT-GJZGRUSLSA-N 1 0 376.258 2.048 20 30 GEEDRO C=CCCn1cc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)nn1 ZINC000641182597 653166639 /nfs/dbraw/zinc/16/66/39/653166639.db2.gz RBFCAZJFPVZKLM-MRXNPFEDSA-N 1 0 388.273 2.305 20 30 GEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000602572646 653191659 /nfs/dbraw/zinc/19/16/59/653191659.db2.gz SEXJFXAJMKGCKF-GFCCVEGCSA-N 1 0 391.946 2.368 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807780514 653204616 /nfs/dbraw/zinc/20/46/16/653204616.db2.gz XBQMFFWBFYFCEW-INIZCTEOSA-N 1 0 394.313 2.038 20 30 GEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000641759805 653233194 /nfs/dbraw/zinc/23/31/94/653233194.db2.gz JLSXINDLJBUJAF-DOMZBBRYSA-N 1 0 385.302 2.379 20 30 GEEDRO CON(C)C(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000808741382 653234546 /nfs/dbraw/zinc/23/45/46/653234546.db2.gz FQRUGKVELSTYJG-MRXNPFEDSA-N 1 0 395.301 2.041 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000808942862 653237351 /nfs/dbraw/zinc/23/73/51/653237351.db2.gz KRJLUNMDDPAGND-CQSZACIVSA-N 1 0 382.302 2.038 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000809593728 653283622 /nfs/dbraw/zinc/28/36/22/653283622.db2.gz QEPIDNYNHDRQPJ-SFHVURJKSA-N 1 0 394.313 2.040 20 30 GEEDRO CC[NH+](CC)CCS(=O)(=O)Oc1c(Br)cc(C#N)cc1OC ZINC000810057621 653319756 /nfs/dbraw/zinc/31/97/56/653319756.db2.gz HKIJRAHVSTUWHP-UHFFFAOYSA-N 1 0 391.287 2.380 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000836272410 653342208 /nfs/dbraw/zinc/34/22/08/653342208.db2.gz SXTDHKCOOXGCKQ-UHFFFAOYSA-N 1 0 398.301 2.221 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000876635156 653439673 /nfs/dbraw/zinc/43/96/73/653439673.db2.gz NSUHEZVCSFXWDX-ZDUSSCGKSA-N 1 0 388.693 2.155 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000876784224 653447926 /nfs/dbraw/zinc/44/79/26/653447926.db2.gz BDNLYUXWAZXBRL-UKRRQHHQSA-N 1 0 386.949 2.355 20 30 GEEDRO Cc1cc(Br)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1Br ZINC000876801775 653448554 /nfs/dbraw/zinc/44/85/54/653448554.db2.gz INPXOGLBSZNEJS-UFBFGSQYSA-N 1 0 387.075 2.361 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=C1COc2cc(Br)c(F)cc21 ZINC000814845467 653640374 /nfs/dbraw/zinc/64/03/74/653640374.db2.gz MJKZPYGVGSUYCI-UHFFFAOYSA-N 1 0 389.294 2.101 20 30 GEEDRO C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000815066672 653649284 /nfs/dbraw/zinc/64/92/84/653649284.db2.gz BHKHEHCBPMIYMG-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO C/C=C/CN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000863064587 653701766 /nfs/dbraw/zinc/70/17/66/653701766.db2.gz XUKUZFROUHTTSH-AHJJCCKGSA-N 1 0 380.539 2.324 20 30 GEEDRO C/C=C/CN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000863064589 653701828 /nfs/dbraw/zinc/70/18/28/653701828.db2.gz XUKUZFROUHTTSH-PNPFVPJHSA-N 1 0 380.539 2.324 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000840951966 653703424 /nfs/dbraw/zinc/70/34/24/653703424.db2.gz PAPNDGULPPMVGX-UHFFFAOYSA-N 1 0 383.901 2.064 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225971 653711105 /nfs/dbraw/zinc/71/11/05/653711105.db2.gz LWSZSTHXISVWHF-WPRPVWTQSA-N 1 0 393.270 2.201 20 30 GEEDRO Cn1nc(Br)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000785515489 653711116 /nfs/dbraw/zinc/71/11/16/653711116.db2.gz ZBNDLCFMJUVJFU-HNNXBMFYSA-N 1 0 388.269 2.339 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000863578596 653716138 /nfs/dbraw/zinc/71/61/38/653716138.db2.gz POOZOVCMKKTPER-QZTJIDSGSA-N 1 0 391.309 2.429 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000818606383 653734907 /nfs/dbraw/zinc/73/49/07/653734907.db2.gz QPDGIIMGNPWKDO-ZDUSSCGKSA-N 1 0 382.291 2.418 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000841999085 653743413 /nfs/dbraw/zinc/74/34/13/653743413.db2.gz ZWUXCNTYSYJJPP-DOTOQJQBSA-N 1 0 380.286 2.191 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000819497410 653751671 /nfs/dbraw/zinc/75/16/71/653751671.db2.gz LOADNRMEPLSHKI-HNNXBMFYSA-N 1 0 375.947 2.021 20 30 GEEDRO COc1cc(I)ccc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865198219 653756865 /nfs/dbraw/zinc/75/68/65/653756865.db2.gz IAPOOENGUPPVBN-UHFFFAOYSA-N 1 0 399.232 2.018 20 30 GEEDRO C#C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820612709 653778505 /nfs/dbraw/zinc/77/85/05/653778505.db2.gz ZYGUMJMVEWENBA-KEYYUXOJSA-N 1 0 394.313 2.220 20 30 GEEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843099786 653779368 /nfs/dbraw/zinc/77/93/68/653779368.db2.gz GIOXJZZKPMOLHI-QWHCGFSZSA-N 1 0 376.678 2.206 20 30 GEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000844138202 653802213 /nfs/dbraw/zinc/80/22/13/653802213.db2.gz FFHSALVEISAVTH-CYBMUJFWSA-N 1 0 391.313 2.357 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(=O)c1C#N ZINC000791170735 653804343 /nfs/dbraw/zinc/80/43/43/653804343.db2.gz BGSHJSXDUXXNDT-ZDUSSCGKSA-N 1 0 395.301 2.434 20 30 GEEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771624 653806398 /nfs/dbraw/zinc/80/63/98/653806398.db2.gz IDSGSFYGYIHDTG-ZBFHGGJFSA-N 1 0 375.266 2.074 20 30 GEEDRO N#Cc1cc(Br)cnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882814491 653811159 /nfs/dbraw/zinc/81/11/59/653811159.db2.gz MPVCAHWPWHNQSG-UHFFFAOYSA-N 1 0 392.301 2.026 20 30 GEEDRO C#CCN(C)CCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000883131196 653829921 /nfs/dbraw/zinc/82/99/21/653829921.db2.gz NPMMAFVSHBMMSR-CQSZACIVSA-N 1 0 396.329 2.007 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792980790 653858775 /nfs/dbraw/zinc/85/87/75/653858775.db2.gz WNTOJBSYKDOKFZ-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCOc1ccc(Br)cc1)C2 ZINC000884110614 653863837 /nfs/dbraw/zinc/86/38/37/653863837.db2.gz OKXSGDROSZUVNH-JZLYGMAVSA-N 1 0 378.270 2.083 20 30 GEEDRO CC(=NNCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794494051 653909722 /nfs/dbraw/zinc/90/97/22/653909722.db2.gz DNPIKJJTQIYZLW-UHFFFAOYSA-N 1 0 393.340 2.440 20 30 GEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000825284537 653923794 /nfs/dbraw/zinc/92/37/94/653923794.db2.gz OSSXQKVRGOWTJH-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000847379395 653926369 /nfs/dbraw/zinc/92/63/69/653926369.db2.gz TWOMUWHYJUTOOG-UHFFFAOYSA-N 1 0 380.286 2.308 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000897675049 653932713 /nfs/dbraw/zinc/93/27/13/653932713.db2.gz PKIKOXAGLUWSGO-UHFFFAOYSA-N 1 0 384.307 2.419 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885891001 653962078 /nfs/dbraw/zinc/96/20/78/653962078.db2.gz NSQPDKOFMZCFSO-QGZVFWFLSA-N 1 0 392.297 2.233 20 30 GEEDRO N#CC1(C[C@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000885942611 653964435 /nfs/dbraw/zinc/96/44/35/653964435.db2.gz QBPQJKDPTIXGFF-HNNXBMFYSA-N 1 0 379.302 2.411 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)C1CC[NH+](C)CC1 ZINC000886575849 653992679 /nfs/dbraw/zinc/99/26/79/653992679.db2.gz MWSOIOLKTZVPDX-UHFFFAOYSA-N 1 0 393.281 2.405 20 30 GEEDRO C#CCC[N@@H+](CCOC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000827826343 654009507 /nfs/dbraw/zinc/00/95/07/654009507.db2.gz DJRDYFXJHWHYOD-CQSZACIVSA-N 1 0 397.313 2.434 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000828477981 654037337 /nfs/dbraw/zinc/03/73/37/654037337.db2.gz MMBQVDRGMXOOLP-UHFFFAOYSA-N 1 0 393.281 2.438 20 30 GEEDRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Br)n1 ZINC000888954708 654115480 /nfs/dbraw/zinc/11/54/80/654115480.db2.gz SLWDEBSKMUVGGH-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000918243214 654146294 /nfs/dbraw/zinc/14/62/94/654146294.db2.gz JAQVZLTYVYYHQD-BHYGNILZSA-N 1 0 383.539 2.023 20 30 GEEDRO CC[NH+]1CCC(NC(=O)COc2c(Br)cc(C#N)cc2OC)CC1 ZINC000902295926 654171682 /nfs/dbraw/zinc/17/16/82/654171682.db2.gz HCIQESANMJOMIM-UHFFFAOYSA-N 1 0 396.285 2.309 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000903520104 654247879 /nfs/dbraw/zinc/24/78/79/654247879.db2.gz HOQHLULKWNTXQL-OAHLLOKOSA-N 1 0 384.299 2.227 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000903525439 654249359 /nfs/dbraw/zinc/24/93/59/654249359.db2.gz IPFWNRLVNVJMEK-HIFRSBDPSA-N 1 0 375.416 2.074 20 30 GEEDRO COC(=O)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000852813803 654261197 /nfs/dbraw/zinc/26/11/97/654261197.db2.gz PROZCBGPULQWKL-INIZCTEOSA-N 1 0 393.281 2.173 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@H]1C(F)(F)F ZINC000871813375 654263593 /nfs/dbraw/zinc/26/35/93/654263593.db2.gz IEYIHSHEDFFMSS-NTSWFWBYSA-N 1 0 380.285 2.001 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000852891816 654265887 /nfs/dbraw/zinc/26/58/87/654265887.db2.gz YRWXHJSKQDFREN-UHFFFAOYSA-N 1 0 389.253 2.118 20 30 GEEDRO C#C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000853116551 654280047 /nfs/dbraw/zinc/28/00/47/654280047.db2.gz XIPWFYYFLMSLPP-INIZCTEOSA-N 1 0 386.311 2.241 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479430 654329012 /nfs/dbraw/zinc/32/90/12/654329012.db2.gz DNJVHPXEKDAZGB-BXKDBHETSA-N 1 0 379.283 2.219 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489738 654329753 /nfs/dbraw/zinc/32/97/53/654329753.db2.gz OVQWDJUFJULCKG-CAHLUQPWSA-N 1 0 379.077 2.114 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505762 654330710 /nfs/dbraw/zinc/33/07/10/654330710.db2.gz NQJHZAABAWUKEX-SCZZXKLOSA-N 1 0 378.148 2.189 20 30 GEEDRO CCOc1cc(Br)c(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000834512576 654331370 /nfs/dbraw/zinc/33/13/70/654331370.db2.gz YVXSJPCCNMJGTH-JSGCOSHPSA-N 1 0 396.285 2.017 20 30 GEEDRO C[C@](O)(C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905352616 654352626 /nfs/dbraw/zinc/35/26/26/654352626.db2.gz YAAYMMNZCYWIDR-PELKAZGASA-N 1 0 379.272 2.243 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000922023933 654356428 /nfs/dbraw/zinc/35/64/28/654356428.db2.gz MXKUZCPEACQDAO-UHFFFAOYSA-N 1 0 385.873 2.275 20 30 GEEDRO Cc1ccc(Br)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1C#N ZINC000872504463 654358980 /nfs/dbraw/zinc/35/89/80/654358980.db2.gz MJYRZISJJDMFIM-UHFFFAOYSA-N 1 0 394.313 2.293 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000922072233 654363011 /nfs/dbraw/zinc/36/30/11/654363011.db2.gz FIFJBFCARUYEBR-UHFFFAOYSA-N 1 0 380.286 2.355 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905569907 654366736 /nfs/dbraw/zinc/36/67/36/654366736.db2.gz YFXPVQUHOOZAFB-UKRRQHHQSA-N 1 0 376.400 2.422 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663562 654387308 /nfs/dbraw/zinc/38/73/08/654387308.db2.gz KJUOYOPQBMSRQS-CABCVRRESA-N 1 0 384.299 2.178 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000923508845 654458556 /nfs/dbraw/zinc/45/85/56/654458556.db2.gz XFCJXNASHHEMGM-BPQIPLTHSA-N 1 0 388.309 2.484 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063746 654505553 /nfs/dbraw/zinc/50/55/53/654505553.db2.gz RTBWLAVRBCKUPZ-WBMJQRKESA-N 1 0 398.326 2.426 20 30 GEEDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907176051 654517914 /nfs/dbraw/zinc/51/79/14/654517914.db2.gz QJSPDILINUERON-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907210754 654520427 /nfs/dbraw/zinc/52/04/27/654520427.db2.gz WLEJDTXLVOUWRR-INIZCTEOSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328824 654532370 /nfs/dbraw/zinc/53/23/70/654532370.db2.gz SDYUCQPMYSNWGO-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000928655963 654654662 /nfs/dbraw/zinc/65/46/62/654654662.db2.gz FZVAWRFXSJNZHH-UHFFFAOYSA-N 1 0 382.245 2.048 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000928657019 654654771 /nfs/dbraw/zinc/65/47/71/654654771.db2.gz MLLOVFIHSHZABN-GFCCVEGCSA-N 1 0 382.291 2.326 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000928655092 654654871 /nfs/dbraw/zinc/65/48/71/654654871.db2.gz QYOQXYAJWRRRNZ-UHFFFAOYSA-N 1 0 382.245 2.048 20 30 GEEDRO C#CCN(C(=O)C(=O)NCc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000929338702 654680223 /nfs/dbraw/zinc/68/02/23/654680223.db2.gz ZKZRHMHTZCSCQU-UHFFFAOYSA-N 1 0 382.291 2.166 20 30 GEEDRO C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000931144708 654730782 /nfs/dbraw/zinc/73/07/82/654730782.db2.gz BWWUKHJCMKHMBL-CQSZACIVSA-N 1 0 379.298 2.256 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932814048 654791826 /nfs/dbraw/zinc/79/18/26/654791826.db2.gz APDWDZFPAYDRNW-SFHVURJKSA-N 1 0 394.313 2.495 20 30 GEEDRO O[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939759 654794807 /nfs/dbraw/zinc/79/48/07/654794807.db2.gz JFUIMXKSNYACML-YIZRAAEISA-N 1 0 383.279 2.365 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913516903 654796951 /nfs/dbraw/zinc/79/69/51/654796951.db2.gz LBPCHTMJXAWTIF-MRXNPFEDSA-N 1 0 382.291 2.279 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438351 654813518 /nfs/dbraw/zinc/81/35/18/654813518.db2.gz VQUXNZJAZYRYQI-QZTJIDSGSA-N 1 0 396.329 2.387 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934498873 654851424 /nfs/dbraw/zinc/85/14/24/654851424.db2.gz HGQUXBAURGZGTB-DLBZAZTESA-N 1 0 382.302 2.301 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(cc1C#N)CCC3)CCC2 ZINC001164813823 720237093 /nfs/dbraw/zinc/23/70/93/720237093.db2.gz POWIVQYALCTXAN-UHFFFAOYSA-N 1 0 392.507 2.249 20 30 GEEDRO CSc1nc(Cl)c(C#N)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164733245 720504953 /nfs/dbraw/zinc/50/49/53/720504953.db2.gz YWNQNWUBBKEBBP-LLVKDONJSA-N 1 0 377.905 2.118 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834036 720533788 /nfs/dbraw/zinc/53/37/88/720533788.db2.gz CIAYRFVITLBUCL-NZSAHSFTSA-N 1 0 395.467 2.436 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840248 720579665 /nfs/dbraw/zinc/57/96/65/720579665.db2.gz PHLHRLZVZFOARX-IEZWGBDMSA-N 1 0 390.495 2.404 20 30 GEEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742811 720801579 /nfs/dbraw/zinc/80/15/79/720801579.db2.gz FCDAQJUHTPGXHU-VXGBXAGGSA-N 1 0 391.262 2.392 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1C#N ZINC001164745815 720837342 /nfs/dbraw/zinc/83/73/42/720837342.db2.gz NOLUAVRMJCHEGF-SLFFLAALSA-N 1 0 377.496 2.233 20 30 GEEDRO N#CCc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741937 720839779 /nfs/dbraw/zinc/83/97/79/720839779.db2.gz GDEVNKNSTCWLNC-XUVXKRRUSA-N 1 0 377.496 2.119 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1CC#N ZINC001164745212 720850492 /nfs/dbraw/zinc/85/04/92/720850492.db2.gz MUFVDMUWQKATIS-PWRODBHTSA-N 1 0 391.523 2.427 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@@H]2C1 ZINC001164864339 720886066 /nfs/dbraw/zinc/88/60/66/720886066.db2.gz VKPLCKHMRKAVQR-WBMJQRKESA-N 1 0 385.295 2.434 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864242 721016442 /nfs/dbraw/zinc/01/64/42/721016442.db2.gz WSJNJJLASGJZGN-CQSZACIVSA-N 1 0 378.484 2.400 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886197 721377739 /nfs/dbraw/zinc/37/77/39/721377739.db2.gz DPLBDDRBZNAJDP-YLJYHZDGSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890744 721434873 /nfs/dbraw/zinc/43/48/73/721434873.db2.gz DXOABBJFUNCWJL-NFBKMPQASA-N 1 0 395.551 2.207 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(C#N)cn1)CC2 ZINC001164785214 721453552 /nfs/dbraw/zinc/45/35/52/721453552.db2.gz HJOGAIHCYLSWQO-IBGZPJMESA-N 1 0 385.512 2.082 20 30 GEEDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165026573 721805645 /nfs/dbraw/zinc/80/56/45/721805645.db2.gz RGYJHPMZSHTYAN-KFKAGJAMSA-N 1 0 378.480 2.489 20 30 GEEDRO COc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1C#N ZINC001164959448 722051933 /nfs/dbraw/zinc/05/19/33/722051933.db2.gz JNXXDVVNXWAGFO-UHFFFAOYSA-N 1 0 393.491 2.476 20 30 GEEDRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164982583 722119778 /nfs/dbraw/zinc/11/97/78/722119778.db2.gz XHVIMLOTNGGMFG-AEFFLSMTSA-N 1 0 398.898 2.432 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(C#N)cc1C#N)CCC2 ZINC001165002284 722253447 /nfs/dbraw/zinc/25/34/47/722253447.db2.gz NBWZQBYQYAHXFJ-UHFFFAOYSA-N 1 0 399.886 2.163 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000152900812 531576747 /nfs/dbraw/zinc/57/67/47/531576747.db2.gz WPXWRPHZIKGLRU-CJNGLKHVSA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155272450 531670806 /nfs/dbraw/zinc/67/08/06/531670806.db2.gz GSGBOKCKVWDLCP-KBPBESRZSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000155238926 531667744 /nfs/dbraw/zinc/66/77/44/531667744.db2.gz COTIKVHMZBYOID-BXUZGUMPSA-N 1 0 386.315 2.424 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2ccccn2)s1 ZINC000170915084 531894510 /nfs/dbraw/zinc/89/45/10/531894510.db2.gz SIJNUUVWWFGFAA-UHFFFAOYSA-N 1 0 381.527 2.143 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CCc2sccc2C1 ZINC000171418095 531906271 /nfs/dbraw/zinc/90/62/71/531906271.db2.gz BUTWKRVHAZZICW-GFCCVEGCSA-N 1 0 379.482 2.484 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000173275106 532001068 /nfs/dbraw/zinc/00/10/68/532001068.db2.gz XMSGQXQEPFMTFS-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO CCN1CCc2nc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)sc2C1 ZINC000121103544 532013792 /nfs/dbraw/zinc/01/37/92/532013792.db2.gz DADOVNBGAJJDBJ-UHFFFAOYSA-N 1 0 375.479 2.055 20 30 GEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](C)CS(C)(=O)=O ZINC000122790015 532082428 /nfs/dbraw/zinc/08/24/28/532082428.db2.gz HIDDLLVPHHQTDX-HNNXBMFYSA-N 1 0 386.587 2.265 20 30 GEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cc(C#N)c(Br)cn1 ZINC000603287156 532088705 /nfs/dbraw/zinc/08/87/05/532088705.db2.gz XRYIWAQIVUOEMC-CQSZACIVSA-N 1 0 380.290 2.070 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)cc2OC)c1C#N ZINC000133796370 532243807 /nfs/dbraw/zinc/24/38/07/532243807.db2.gz OHRKTZMHOWLRMC-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183910323 532329932 /nfs/dbraw/zinc/32/99/32/532329932.db2.gz BBIGPDLBWYBMCN-FUHWJXTLSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183910364 532330040 /nfs/dbraw/zinc/33/00/40/532330040.db2.gz BBIGPDLBWYBMCN-AEFFLSMTSA-N 1 0 391.265 2.384 20 30 GEEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000191773187 532366413 /nfs/dbraw/zinc/36/64/13/532366413.db2.gz UVEMFMSUTVGNAP-OAHLLOKOSA-N 1 0 392.297 2.392 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000590680279 532380904 /nfs/dbraw/zinc/38/09/04/532380904.db2.gz JEEVHNHIZFGAMC-HNNXBMFYSA-N 1 0 378.270 2.304 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)ccc(Br)c1C#N ZINC000425728657 532391191 /nfs/dbraw/zinc/39/11/91/532391191.db2.gz VXQNKQJUUHLGLH-UHFFFAOYSA-N 1 0 395.301 2.414 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000295204012 532418313 /nfs/dbraw/zinc/41/83/13/532418313.db2.gz VSNUULPMYJVKDG-IAGOWNOFSA-N 1 0 383.514 2.039 20 30 GEEDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000591754137 532422176 /nfs/dbraw/zinc/42/21/76/532422176.db2.gz FGKRQVWNRCOEOJ-INIZCTEOSA-N 1 0 379.869 2.358 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000626584515 532440035 /nfs/dbraw/zinc/44/00/35/532440035.db2.gz FNEWXNSPWRWAQK-ZDUSSCGKSA-N 1 0 384.274 2.202 20 30 GEEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592300289 532446847 /nfs/dbraw/zinc/44/68/47/532446847.db2.gz JNTVRKCLLCILRR-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592374904 532451672 /nfs/dbraw/zinc/45/16/72/532451672.db2.gz PLYZXGRLUHTJFL-DOMZBBRYSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+]1CCCC1 ZINC000592759419 532459994 /nfs/dbraw/zinc/45/99/94/532459994.db2.gz YSVAHHFLUJJWFQ-ZDUSSCGKSA-N 1 0 391.313 2.357 20 30 GEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757037 532461024 /nfs/dbraw/zinc/46/10/24/532461024.db2.gz DZCRVNRTSVSYQC-MRXNPFEDSA-N 1 0 391.313 2.310 20 30 GEEDRO C[NH+](C)CC1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 ZINC000592796622 532466296 /nfs/dbraw/zinc/46/62/96/532466296.db2.gz CTDWJVPLFUUZJT-UHFFFAOYSA-N 1 0 391.313 2.357 20 30 GEEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 ZINC000373796978 532470469 /nfs/dbraw/zinc/47/04/69/532470469.db2.gz YLYOVKWEOADUKJ-CQSZACIVSA-N 1 0 398.326 2.066 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562765322 532481742 /nfs/dbraw/zinc/48/17/42/532481742.db2.gz KABLHPBXDHFBSQ-ZDUSSCGKSA-N 1 0 383.290 2.121 20 30 GEEDRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593469335 532483602 /nfs/dbraw/zinc/48/36/02/532483602.db2.gz VKDHPVLLIQOBAN-UHFFFAOYSA-N 1 0 394.313 2.432 20 30 GEEDRO COC1CC[NH+](C2(CNS(=O)(=O)c3ccsc3C#N)CCCC2)CC1 ZINC000593545177 532485979 /nfs/dbraw/zinc/48/59/79/532485979.db2.gz YIVJBNFGCGOCBB-UHFFFAOYSA-N 1 0 383.539 2.322 20 30 GEEDRO CN(C)C(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000520424046 532493379 /nfs/dbraw/zinc/49/33/79/532493379.db2.gz XDSPRZAGPBGHGG-KRWDZBQOSA-N 1 0 393.329 2.500 20 30 GEEDRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000594506505 532512508 /nfs/dbraw/zinc/51/25/08/532512508.db2.gz UTULHJWHKOMUGW-UHFFFAOYSA-N 1 0 386.257 2.196 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC[N@@H+](C)CCOC ZINC000284312960 532585222 /nfs/dbraw/zinc/58/52/22/532585222.db2.gz VVVONWGBJINETD-UHFFFAOYSA-N 1 0 387.933 2.001 20 30 GEEDRO C[NH+]=C(NCc1ccnn1C)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262882613 532605694 /nfs/dbraw/zinc/60/56/94/532605694.db2.gz FQXKAUBYSIDRPW-AWEZNQCLSA-N 1 0 391.317 2.127 20 30 GEEDRO C[NH+](C)C1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 ZINC000597153833 532612644 /nfs/dbraw/zinc/61/26/44/532612644.db2.gz MUACYHBBHHCASX-INIZCTEOSA-N 1 0 391.313 2.252 20 30 GEEDRO N#Cc1ccc(OCC(=O)NCC23CCC[NH+]2CCC3)cc1Br ZINC000597586511 532623336 /nfs/dbraw/zinc/62/33/36/532623336.db2.gz DPSDTKFZUXZHFP-UHFFFAOYSA-N 1 0 378.270 2.444 20 30 GEEDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697721 532623958 /nfs/dbraw/zinc/62/39/58/532623958.db2.gz ZKWWVRCWISADPT-DLBZAZTESA-N 1 0 392.297 2.185 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000284836438 532624862 /nfs/dbraw/zinc/62/48/62/532624862.db2.gz SEMHOKCWOHNMFJ-UHFFFAOYSA-N 1 0 376.404 2.257 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284884118 532629384 /nfs/dbraw/zinc/62/93/84/532629384.db2.gz TWWWPVCHNTTXBK-HZMBPMFUSA-N 1 0 381.274 2.285 20 30 GEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000501175716 532737953 /nfs/dbraw/zinc/73/79/53/532737953.db2.gz NGMDEQCHERXHEO-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000450767397 532760043 /nfs/dbraw/zinc/76/00/43/532760043.db2.gz UGWDFDWEUQWVLT-GFCCVEGCSA-N 1 0 378.270 2.466 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286727365 532764887 /nfs/dbraw/zinc/76/48/87/532764887.db2.gz XPBYXICKZGYKMH-GUYCJALGSA-N 1 0 382.302 2.254 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000286795156 532769307 /nfs/dbraw/zinc/76/93/07/532769307.db2.gz YIYLSXOIGJSCNS-LLVKDONJSA-N 1 0 384.299 2.083 20 30 GEEDRO N#CCC[C@@H](C#N)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000551935428 532802620 /nfs/dbraw/zinc/80/26/20/532802620.db2.gz YDXXFADQQPEJJT-ZDUSSCGKSA-N 1 0 399.314 2.151 20 30 GEEDRO C[C@H](CCC[NH3+])NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414910587 532836125 /nfs/dbraw/zinc/83/61/25/532836125.db2.gz HMOYCDYCCDWLJN-LLVKDONJSA-N 1 0 376.511 2.951 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCC(O)(C[NH3+])CC2)cc1OC ZINC000415136668 532838933 /nfs/dbraw/zinc/83/89/33/532838933.db2.gz CYNMTOUSBMGYFU-UHFFFAOYSA-N 1 0 385.302 2.308 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600584 532841594 /nfs/dbraw/zinc/84/15/94/532841594.db2.gz ZEFMPTZJBMQHBR-IINYFYTJSA-N 1 0 384.299 2.082 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000289093812 532847428 /nfs/dbraw/zinc/84/74/28/532847428.db2.gz IOEMESBAHNYNRY-NSHDSACASA-N 1 0 390.278 2.175 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415787781 532857194 /nfs/dbraw/zinc/85/71/94/532857194.db2.gz RBHKHDBENPNLFE-LLVKDONJSA-N 1 0 384.274 2.196 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000333039003 532862931 /nfs/dbraw/zinc/86/29/31/532862931.db2.gz DSXIGTIYDIEZNA-QGZVFWFLSA-N 1 0 378.270 2.254 20 30 GEEDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416365188 532872060 /nfs/dbraw/zinc/87/20/60/532872060.db2.gz AMIWJBMBRDWLBT-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000366641912 532919605 /nfs/dbraw/zinc/91/96/05/532919605.db2.gz DLWCASSLWHONOH-MRXNPFEDSA-N 1 0 375.519 2.463 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293124020 532922413 /nfs/dbraw/zinc/92/24/13/532922413.db2.gz UGNLLPVKNUISLB-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[N@@H+]1C1CC1 ZINC000294052004 532935203 /nfs/dbraw/zinc/93/52/03/532935203.db2.gz JNSHDOYVTFTKDK-GXFFZTMASA-N 1 0 391.269 2.001 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)s1 ZINC000369842359 532941142 /nfs/dbraw/zinc/94/11/42/532941142.db2.gz UIHGWJDPFYZBPR-QXSJWSMHSA-N 1 0 383.539 2.164 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]21 ZINC000371505564 532948319 /nfs/dbraw/zinc/94/83/19/532948319.db2.gz KBQPDVOMOXGLIO-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000371726680 532949472 /nfs/dbraw/zinc/94/94/72/532949472.db2.gz IEKVSVUYIRUDBB-AWEZNQCLSA-N 1 0 396.333 2.366 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COCc1ccccc1 ZINC000735426657 598922425 /nfs/dbraw/zinc/92/24/25/598922425.db2.gz UIUBSEGQYJXEHQ-HXUWFJFHSA-N 1 0 379.464 2.432 20 30 GEEDRO CN(CCC#N)c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821598202 599450548 /nfs/dbraw/zinc/45/05/48/599450548.db2.gz UWMZJAPPISUTBN-UHFFFAOYSA-N 1 0 377.452 2.385 20 30 GEEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736309157 599490927 /nfs/dbraw/zinc/49/09/27/599490927.db2.gz LJPOALZDPCONKI-KRWDZBQOSA-N 1 0 388.435 2.485 20 30 GEEDRO C[N@H+](CCN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440536 600569087 /nfs/dbraw/zinc/56/90/87/600569087.db2.gz BXGWKVGGUMTGRJ-QFIPXVFZSA-N 1 0 392.503 2.434 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419827 606299260 /nfs/dbraw/zinc/29/92/60/606299260.db2.gz KKCTXYSDFCTCBS-NHYWBVRUSA-N 1 0 379.449 2.256 20 30 GEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)CC1 ZINC000822400182 606514904 /nfs/dbraw/zinc/51/49/04/606514904.db2.gz YMXOIKGJFFOOBY-UHFFFAOYSA-N 1 0 388.435 2.297 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(C#N)s1 ZINC000821586001 606538051 /nfs/dbraw/zinc/53/80/51/606538051.db2.gz FMIZPXFRGUVLKX-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000819744192 606878541 /nfs/dbraw/zinc/87/85/41/606878541.db2.gz ZNMATLHOCUQEMV-RDTXWAMCSA-N 1 0 381.484 2.047 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823849891 607923015 /nfs/dbraw/zinc/92/30/15/607923015.db2.gz BMXZLRSUPPNBCA-KRWDZBQOSA-N 1 0 383.452 2.057 20 30 GEEDRO C#CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000823856153 608594292 /nfs/dbraw/zinc/59/42/92/608594292.db2.gz LBIFYWKPOVMJML-UHFFFAOYSA-N 1 0 392.438 2.340 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1cccc(Br)c1C#N ZINC000449930953 650056247 /nfs/dbraw/zinc/05/62/47/650056247.db2.gz NPWXLRUNTNTKDS-IUODEOHRSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108389 650059959 /nfs/dbraw/zinc/05/99/59/650059959.db2.gz VIRCFYQEIWYJCJ-ABAIWWIYSA-N 1 0 378.270 2.298 20 30 GEEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451188007 650094652 /nfs/dbraw/zinc/09/46/52/650094652.db2.gz HCUMWQNOPSGSGY-AWEZNQCLSA-N 1 0 384.261 2.458 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCN(C)C[C@@H]2C[NH3+])cc1OC ZINC000514861481 650581254 /nfs/dbraw/zinc/58/12/54/650581254.db2.gz IPZJOKIAAVJTJR-AWEZNQCLSA-N 1 0 384.318 2.097 20 30 GEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000518180181 650602212 /nfs/dbraw/zinc/60/22/12/650602212.db2.gz QICDWYREVNEWSC-INIZCTEOSA-N 1 0 378.567 2.190 20 30 GEEDRO CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1cccc(CO)c1 ZINC000022733651 642409556 /nfs/dbraw/zinc/40/95/56/642409556.db2.gz XKCSYASPFQFGGV-UHFFFAOYSA-O 1 0 380.287 2.387 20 30 GEEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CSCC#N)CC1 ZINC000041776613 642532369 /nfs/dbraw/zinc/53/23/69/642532369.db2.gz BOICLZGQDJLIFX-UHFFFAOYSA-N 1 0 383.315 2.396 20 30 GEEDRO C[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000535052425 650784102 /nfs/dbraw/zinc/78/41/02/650784102.db2.gz QBISRAFXUBLDOT-RDJZCZTQSA-N 1 0 391.313 2.110 20 30 GEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498113593 650848368 /nfs/dbraw/zinc/84/83/68/650848368.db2.gz HMPQJJSNMMIQFB-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO [NH2+]=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)N1CCSCC1 ZINC000128893523 643812349 /nfs/dbraw/zinc/81/23/49/643812349.db2.gz REWKAOBNCGZRDR-CYBMUJFWSA-N 1 0 377.432 2.100 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000131067059 643861672 /nfs/dbraw/zinc/86/16/72/643861672.db2.gz QRECANIRPYODSZ-UHFFFAOYSA-N 1 0 399.358 2.390 20 30 GEEDRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000151411863 643943271 /nfs/dbraw/zinc/94/32/71/643943271.db2.gz CNIFNFWQEDWPJI-UHFFFAOYSA-N 1 0 382.511 2.079 20 30 GEEDRO C#CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000153895204 644011559 /nfs/dbraw/zinc/01/15/59/644011559.db2.gz BJRSNGLCWQRULG-UHFFFAOYSA-N 1 0 376.400 2.102 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797165 644344065 /nfs/dbraw/zinc/34/40/65/644344065.db2.gz JMBODKGUMPNDII-FZMZJTMJSA-N 1 0 383.279 2.084 20 30 GEEDRO CC[NH+]=C(NCc1ccc(Cl)cc1OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261995967 645614802 /nfs/dbraw/zinc/61/48/02/645614802.db2.gz SJIQYUMRYYFVEV-UHFFFAOYSA-N 1 0 387.933 2.323 20 30 GEEDRO [NH2+]=C(NCc1cc(F)ccc1Br)N1CCN(c2ncccn2)CC1 ZINC000262014427 645615451 /nfs/dbraw/zinc/61/54/51/645615451.db2.gz VPBJNHNLCHTPHE-UHFFFAOYSA-N 1 0 393.264 2.015 20 30 GEEDRO CC1CCN(C(NCCc2cccs2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262334400 645627549 /nfs/dbraw/zinc/62/75/49/645627549.db2.gz BOHSCIQWMHKZNK-INIZCTEOSA-N 1 0 383.583 2.403 20 30 GEEDRO Cc1nc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)s1 ZINC000262419249 645629546 /nfs/dbraw/zinc/62/95/46/645629546.db2.gz QTDFBJDUIRHLAP-AWEZNQCLSA-N 1 0 384.571 2.172 20 30 GEEDRO C[NH+]=C(NC[C@H]1COCCO1)NCC1(c2cccc(Br)c2)CC1 ZINC000262428459 645630235 /nfs/dbraw/zinc/63/02/35/645630235.db2.gz BKAQATXGFZFSLS-HNNXBMFYSA-N 1 0 382.302 2.061 20 30 GEEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CC[C@@H](COC)C1 ZINC000262456272 645631214 /nfs/dbraw/zinc/63/12/14/645631214.db2.gz LENKVOJAIDBDHJ-CYBMUJFWSA-N 1 0 397.317 2.240 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000262498570 645633792 /nfs/dbraw/zinc/63/37/92/645633792.db2.gz XITBKVGVORSLCQ-KGLIPLIRSA-N 1 0 381.318 2.311 20 30 GEEDRO CC[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCCO1 ZINC000262591531 645638551 /nfs/dbraw/zinc/63/85/51/645638551.db2.gz UYTRTJIPJYHFKC-CYBMUJFWSA-N 1 0 398.301 2.454 20 30 GEEDRO C=CCSCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000265580220 645776819 /nfs/dbraw/zinc/77/68/19/645776819.db2.gz UTRODTJNCUXJHG-UHFFFAOYSA-N 1 0 385.917 2.254 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271329714 646192494 /nfs/dbraw/zinc/19/24/94/646192494.db2.gz VOGNEKXOJLCYOP-UHFFFAOYSA-N 1 0 378.274 2.262 20 30 GEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277091863 646375284 /nfs/dbraw/zinc/37/52/84/646375284.db2.gz VSELQRYEHGHNEI-CQSZACIVSA-N 1 0 376.507 2.205 20 30 GEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277091859 646375309 /nfs/dbraw/zinc/37/53/09/646375309.db2.gz VSELQRYEHGHNEI-AWEZNQCLSA-N 1 0 376.507 2.205 20 30 GEEDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287343767 646884263 /nfs/dbraw/zinc/88/42/63/646884263.db2.gz LMCNLCBNGNEMSG-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO [NH2+]=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC1CCCCCC1 ZINC000305739600 647279060 /nfs/dbraw/zinc/27/90/60/647279060.db2.gz BORMQKVNODVDNJ-UHFFFAOYSA-N 1 0 384.468 2.175 20 30 GEEDRO CC(C)CCNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000305702891 647279119 /nfs/dbraw/zinc/27/91/19/647279119.db2.gz CCZWHXNVJBTIDA-UHFFFAOYSA-N 1 0 381.420 2.309 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330384868 647333498 /nfs/dbraw/zinc/33/34/98/647333498.db2.gz KWKRBPQWNHOGBD-HLLBOEOZSA-N 1 0 384.571 2.447 20 30 GEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000330382253 647333559 /nfs/dbraw/zinc/33/35/59/647333559.db2.gz WZJMWXYNXQWWEW-HOTGVXAUSA-N 1 0 384.571 2.447 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000333632414 647477237 /nfs/dbraw/zinc/47/72/37/647477237.db2.gz GVBYZKCCFSGORC-SJORKVTESA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCSC[C@H]3CO)c2C#N)C1 ZINC000334028332 647487861 /nfs/dbraw/zinc/48/78/61/647487861.db2.gz JEHMXIXJKWAMRA-CHWSQXEVSA-N 1 0 379.551 2.483 20 30 GEEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000408112809 647927159 /nfs/dbraw/zinc/92/71/59/647927159.db2.gz OBCMIBKPYCRRLB-VXGBXAGGSA-N 1 0 386.315 2.424 20 30 GEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000408456942 647954414 /nfs/dbraw/zinc/95/44/14/647954414.db2.gz MKPBAHQYPSNCSD-UHFFFAOYSA-N 1 0 390.278 2.175 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000411126268 648024259 /nfs/dbraw/zinc/02/42/59/648024259.db2.gz MUJVTNHIZBOHNE-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416516879 648155956 /nfs/dbraw/zinc/15/59/56/648155956.db2.gz AQMDMQXTBLSIRQ-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419645841 648359354 /nfs/dbraw/zinc/35/93/54/648359354.db2.gz KKBJNUUPGRLWCL-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419675411 648362600 /nfs/dbraw/zinc/36/26/00/648362600.db2.gz KJVVXFQNSQZLTJ-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423243182 648588228 /nfs/dbraw/zinc/58/82/28/648588228.db2.gz ZJZOTXZLOAGHHH-AWEZNQCLSA-N 1 0 398.276 2.053 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000424118033 648614296 /nfs/dbraw/zinc/61/42/96/648614296.db2.gz ZQZGHYUEZUNGGA-JTQLQIEISA-N 1 0 377.251 2.033 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000424184079 648616076 /nfs/dbraw/zinc/61/60/76/648616076.db2.gz LCQMXWMOLPINHD-MRXNPFEDSA-N 1 0 397.292 2.254 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000550434002 651111412 /nfs/dbraw/zinc/11/14/12/651111412.db2.gz IDHUYFTWUCWYJU-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000554215684 651199982 /nfs/dbraw/zinc/19/99/82/651199982.db2.gz HZOBYZKLOCLJOY-UHFFFAOYSA-N 1 0 393.329 2.307 20 30 GEEDRO C[C@H]1CN(c2cc(C#N)c(Br)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000603332445 651481753 /nfs/dbraw/zinc/48/17/53/651481753.db2.gz LIZICWKXWYWMJZ-BBRMVZONSA-N 1 0 378.318 2.178 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000575401437 652070767 /nfs/dbraw/zinc/07/07/67/652070767.db2.gz YHFLGLLUXUIDRA-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000747820026 652180677 /nfs/dbraw/zinc/18/06/77/652180677.db2.gz HIMYKWNFAJDPAI-AWEZNQCLSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000747968486 652186268 /nfs/dbraw/zinc/18/62/68/652186268.db2.gz KTOIMMLLJKAUSQ-AWEZNQCLSA-N 1 0 385.291 2.195 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577497035 652193081 /nfs/dbraw/zinc/19/30/81/652193081.db2.gz VVYDNQPYQGTEKY-ZDUSSCGKSA-N 1 0 381.274 2.245 20 30 GEEDRO C#CCN1CCN(C(=O)C[N@H+](Cc2cccc(Br)c2)C(C)C)CC1 ZINC000748812783 652217938 /nfs/dbraw/zinc/21/79/38/652217938.db2.gz HQEVBQOGLXAOQQ-UHFFFAOYSA-N 1 0 392.341 2.437 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CC)CNS(C)(=O)=O)cc1OC ZINC000623538137 652245208 /nfs/dbraw/zinc/24/52/08/652245208.db2.gz YJCWZGLGDCRHDN-CYBMUJFWSA-N 1 0 376.906 2.331 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626894505 652408751 /nfs/dbraw/zinc/40/87/51/652408751.db2.gz ZLTVKQQQZYNWAV-DGCLKSJQSA-N 1 0 396.285 2.209 20 30 GEEDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cc(C#N)ccc2Br)C1 ZINC000754885981 652450563 /nfs/dbraw/zinc/45/05/63/652450563.db2.gz RLGXEMBULHDPBB-OAHLLOKOSA-N 1 0 381.274 2.428 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000757650860 652519771 /nfs/dbraw/zinc/51/97/71/652519771.db2.gz FQUWVRWQIOUQDM-UHFFFAOYSA-N 1 0 385.327 2.177 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000588115135 652547530 /nfs/dbraw/zinc/54/75/30/652547530.db2.gz GJHCVLXKKZQQHV-LBPRGKRZSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c(Br)c1 ZINC000592173403 652590194 /nfs/dbraw/zinc/59/01/94/652590194.db2.gz SCZKEORKOVOGDA-SUMWQHHRSA-N 1 0 391.269 2.260 20 30 GEEDRO Cc1ccc2c(ncc(C#N)c2N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1Br ZINC000593502449 652623229 /nfs/dbraw/zinc/62/32/29/652623229.db2.gz CHPOSKKILDCTFK-CQSZACIVSA-N 1 0 387.281 2.433 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(Br)cc2c1OCC2 ZINC000764910057 652815449 /nfs/dbraw/zinc/81/54/49/652815449.db2.gz MUZZRLBUZVUDEH-UHFFFAOYSA-N 1 0 385.331 2.134 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000598724056 652831513 /nfs/dbraw/zinc/83/15/13/652831513.db2.gz LTQHQDLMEYNCKI-GFCCVEGCSA-N 1 0 378.416 2.499 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000598721084 652831525 /nfs/dbraw/zinc/83/15/25/652831525.db2.gz RWDQTCFEAQXZPP-HNNXBMFYSA-N 1 0 382.302 2.459 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000599099784 652849257 /nfs/dbraw/zinc/84/92/57/652849257.db2.gz DIEUBKNFCQKJNL-JQWIXIFHSA-N 1 0 381.807 2.359 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357388 652863528 /nfs/dbraw/zinc/86/35/28/652863528.db2.gz QAGIDRFRZMQBRE-HOTGVXAUSA-N 1 0 383.286 2.143 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000600031658 652899268 /nfs/dbraw/zinc/89/92/68/652899268.db2.gz NHAPBULDQFWBMA-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO Cc1ccc(Br)c2ncc(C#N)c(NCCN3CC[NH+](C)CC3)c12 ZINC000601101191 652954178 /nfs/dbraw/zinc/95/41/78/652954178.db2.gz OZEDGRZVMPWQJU-UHFFFAOYSA-N 1 0 388.313 2.259 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)cn1 ZINC000601167928 652957361 /nfs/dbraw/zinc/95/73/61/652957361.db2.gz JEMITRVOQULZNW-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601351726 653087861 /nfs/dbraw/zinc/08/78/61/653087861.db2.gz NJBMIGBURHHFCC-RISCZKNCSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000772688423 653160032 /nfs/dbraw/zinc/16/00/32/653160032.db2.gz VRSPPFFUYMPARQ-HNNXBMFYSA-N 1 0 383.901 2.133 20 30 GEEDRO CN1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccc(Br)cc1 ZINC000602654315 653198321 /nfs/dbraw/zinc/19/83/21/653198321.db2.gz LCSBFFUUOUYSOV-HZPDHXFCSA-N 1 0 389.301 2.337 20 30 GEEDRO CSC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000602921874 653215270 /nfs/dbraw/zinc/21/52/70/653215270.db2.gz BAQVLMPHZZNKOI-MRXNPFEDSA-N 1 0 378.567 2.284 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826840 653338118 /nfs/dbraw/zinc/33/81/18/653338118.db2.gz QDWNTZHRDDGAPW-CABCVRRESA-N 1 0 378.270 2.395 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000836295422 653343041 /nfs/dbraw/zinc/34/30/41/653343041.db2.gz KJGQUONZKBCXDK-HNNXBMFYSA-N 1 0 393.329 2.282 20 30 GEEDRO C#C[C@@H](NC(=O)NCC[N@@H+](C)CCCOC)c1ccc(Br)cc1 ZINC000836321604 653344728 /nfs/dbraw/zinc/34/47/28/653344728.db2.gz HPRNAJOVZXUBAI-MRXNPFEDSA-N 1 0 382.302 2.391 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000836489053 653355905 /nfs/dbraw/zinc/35/59/05/653355905.db2.gz UIEULXDQQCTMMV-UHFFFAOYSA-N 1 0 384.311 2.175 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000836489404 653356025 /nfs/dbraw/zinc/35/60/25/653356025.db2.gz ZQSWFXZZJAJLHT-QGZVFWFLSA-N 1 0 394.313 2.487 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837364691 653430571 /nfs/dbraw/zinc/43/05/71/653430571.db2.gz ADVJCNDQQQNNPC-UHFFFAOYSA-N 1 0 382.306 2.289 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)nc1C ZINC000876574653 653436723 /nfs/dbraw/zinc/43/67/23/653436723.db2.gz HWLUCKWHFACAGM-ZJUUUORDSA-N 1 0 378.527 2.497 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000876636942 653440241 /nfs/dbraw/zinc/44/02/41/653440241.db2.gz NRXSEFMIWQPMPA-SECBINFHSA-N 1 0 386.779 2.397 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000876801884 653449172 /nfs/dbraw/zinc/44/91/72/653449172.db2.gz KBOHUTJUCKLEAB-VDTYLAMSSA-N 1 0 379.077 2.114 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878019050 653626524 /nfs/dbraw/zinc/62/65/24/653626524.db2.gz PIOOGCPQIKCTSH-MRXNPFEDSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000815082258 653650645 /nfs/dbraw/zinc/65/06/45/653650645.db2.gz HUTFPGPUPOXKHB-UHFFFAOYSA-N 1 0 399.310 2.057 20 30 GEEDRO C#CCNC(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000815120002 653652859 /nfs/dbraw/zinc/65/28/59/653652859.db2.gz LQRRSJKGFPWFIS-HNNXBMFYSA-N 1 0 376.806 2.247 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000815860791 653666934 /nfs/dbraw/zinc/66/69/34/653666934.db2.gz ALKHYSFNELZRCV-UHFFFAOYSA-N 1 0 380.286 2.076 20 30 GEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)sc2c1CCCS2 ZINC000841157643 653708400 /nfs/dbraw/zinc/70/84/00/653708400.db2.gz IPQZYBKPUTZZJH-MWLCHTKSSA-N 1 0 380.495 2.196 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194670 653710020 /nfs/dbraw/zinc/71/00/20/653710020.db2.gz OUTHQVIJKILDEU-MWLCHTKSSA-N 1 0 393.270 2.201 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000818588719 653734049 /nfs/dbraw/zinc/73/40/49/653734049.db2.gz DPUWNQALGWHRAS-UHFFFAOYSA-N 1 0 376.254 2.388 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000788599518 653760395 /nfs/dbraw/zinc/76/03/95/653760395.db2.gz CGFZDYQYMSFYNQ-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO C[C@H]1CN(c2ncc(C#N)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000882144057 653765588 /nfs/dbraw/zinc/76/55/88/653765588.db2.gz ATUBMLJBHDUIFG-XJKSGUPXSA-N 1 0 378.318 2.178 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cccc(I)c1 ZINC000789017907 653768130 /nfs/dbraw/zinc/76/81/30/653768130.db2.gz LZVAPRGFVXTSJU-UHFFFAOYSA-N 1 0 390.294 2.041 20 30 GEEDRO C#CCN(C(=O)[C@@H](O)c1cnc[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825770 653776418 /nfs/dbraw/zinc/77/64/18/653776418.db2.gz GJYIIQVBOVOEAQ-ZBFHGGJFSA-N 1 0 390.237 2.191 20 30 GEEDRO CN1CC[C@H]([NH+]2CCC(Nc3c(Br)cccc3C#N)CC2)C1=O ZINC000865885782 653778523 /nfs/dbraw/zinc/77/85/23/653778523.db2.gz AHYSAGBJPUHJTH-HNNXBMFYSA-N 1 0 377.286 2.428 20 30 GEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460365 653787351 /nfs/dbraw/zinc/78/73/51/653787351.db2.gz OAKLNYWTPMXBFG-SWLSCSKDSA-N 1 0 388.269 2.093 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)CCC[NH+](C)C ZINC000866405844 653793414 /nfs/dbraw/zinc/79/34/14/653793414.db2.gz KUQFUFKJGUUHCG-UHFFFAOYSA-N 1 0 391.287 2.380 20 30 GEEDRO COc1ccc(Br)c(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884095706 653863201 /nfs/dbraw/zinc/86/32/01/653863201.db2.gz WPQIGXJYRLLDLL-JZLYGMAVSA-N 1 0 378.270 2.213 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846235161 653892791 /nfs/dbraw/zinc/89/27/91/653892791.db2.gz UEYRUXQAZHPPNT-DAXOMENPSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000884955337 653897736 /nfs/dbraw/zinc/89/77/36/653897736.db2.gz RUVFJFCZSPIXKH-STQMWFEESA-N 1 0 384.299 2.226 20 30 GEEDRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000848400051 653974443 /nfs/dbraw/zinc/97/44/43/653974443.db2.gz BGDAKDOEYOAJIA-CYBMUJFWSA-N 1 0 387.889 2.113 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000827245821 653982771 /nfs/dbraw/zinc/98/27/71/653982771.db2.gz MPDPYJGNBDTZOX-XJKSGUPXSA-N 1 0 378.270 2.252 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)cn2ccnc12)C1CC[NH+](C)CC1 ZINC000886572418 653992186 /nfs/dbraw/zinc/99/21/86/653992186.db2.gz LQILGNQGJODIKR-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cccc(Br)c1Cl ZINC000849116345 654005321 /nfs/dbraw/zinc/00/53/21/654005321.db2.gz MVJNKTUSWNUGOR-UHFFFAOYSA-N 1 0 389.725 2.100 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccccc1I ZINC000796989311 654014708 /nfs/dbraw/zinc/01/47/08/654014708.db2.gz PGXAMRQNLIQOFS-AWEZNQCLSA-N 1 0 383.229 2.475 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202871 654022959 /nfs/dbraw/zinc/02/29/59/654022959.db2.gz FRGUOGPDKBSZBG-RDDDGLTNSA-N 1 0 388.063 2.445 20 30 GEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000916623743 654102562 /nfs/dbraw/zinc/10/25/62/654102562.db2.gz DUKIMOSGGVKKMK-AEFFLSMTSA-N 1 0 375.519 2.385 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC1(C#N)CCCCC1 ZINC000901728387 654143893 /nfs/dbraw/zinc/14/38/93/654143893.db2.gz MFCZLZRLYNSQLX-STQMWFEESA-N 1 0 394.317 2.281 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(C#N)c1 ZINC000901728134 654144088 /nfs/dbraw/zinc/14/40/88/654144088.db2.gz LECHBMVQCMOHEF-BXUZGUMPSA-N 1 0 388.269 2.449 20 30 GEEDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC1(C#N)CCCCC1 ZINC000901728385 654144121 /nfs/dbraw/zinc/14/41/21/654144121.db2.gz MFCZLZRLYNSQLX-OLZOCXBDSA-N 1 0 394.317 2.281 20 30 GEEDRO CC[NH+]1CCC(NC(=O)COc2nc(C)c(C#N)cc2Br)CC1 ZINC000902421466 654176910 /nfs/dbraw/zinc/17/69/10/654176910.db2.gz WQBQMVKCGHURNO-UHFFFAOYSA-N 1 0 381.274 2.004 20 30 GEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000903486929 654240745 /nfs/dbraw/zinc/24/07/45/654240745.db2.gz NWVYTFDZEJOSMG-UHFFFAOYSA-N 1 0 379.507 2.291 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000903499013 654241868 /nfs/dbraw/zinc/24/18/68/654241868.db2.gz FGJYEQQCKSWIIY-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO COCCC1(NS(=O)(=O)c2c(C#N)sc3ccccc32)CC[NH2+]CC1 ZINC000903515288 654245504 /nfs/dbraw/zinc/24/55/04/654245504.db2.gz LPPCVOSOZWAVQB-UHFFFAOYSA-N 1 0 379.507 2.210 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903558323 654255727 /nfs/dbraw/zinc/25/57/27/654255727.db2.gz QZJUWPFMYOPGHI-UHFFFAOYSA-N 1 0 384.299 2.131 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581256 654261745 /nfs/dbraw/zinc/26/17/45/654261745.db2.gz CVNREFQGFXUXJL-GJZGRUSLSA-N 1 0 375.416 2.216 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000852855597 654263839 /nfs/dbraw/zinc/26/38/39/654263839.db2.gz JVKGIZZMRRQHBM-UHFFFAOYSA-N 1 0 396.354 2.158 20 30 GEEDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921523435 654278050 /nfs/dbraw/zinc/27/80/50/654278050.db2.gz XISZTQNLJDEHGI-UHFFFAOYSA-N 1 0 386.315 2.224 20 30 GEEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834505671 654330642 /nfs/dbraw/zinc/33/06/42/654330642.db2.gz MQOWDSKMCQAIIS-GXTWGEPZSA-N 1 0 378.263 2.388 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000922027553 654357245 /nfs/dbraw/zinc/35/72/45/654357245.db2.gz WYWUJWXBJCGJHL-UHFFFAOYSA-N 1 0 385.873 2.275 20 30 GEEDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922118845 654369564 /nfs/dbraw/zinc/36/95/64/654369564.db2.gz JCMWMLKQEYFAHJ-RHSMWYFYSA-N 1 0 388.269 2.164 20 30 GEEDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922124695 654370431 /nfs/dbraw/zinc/37/04/31/654370431.db2.gz YGUSBXIEQCSRIY-CQSZACIVSA-N 1 0 386.315 2.224 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000922178250 654373968 /nfs/dbraw/zinc/37/39/68/654373968.db2.gz NBODPZMCTJGDJW-UHFFFAOYSA-N 1 0 394.313 2.292 20 30 GEEDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000835298777 654378595 /nfs/dbraw/zinc/37/85/95/654378595.db2.gz WUZMZJQKTOMWLH-CYBMUJFWSA-N 1 0 397.269 2.352 20 30 GEEDRO CON=C(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1csc(N)n1 ZINC000873843144 654471821 /nfs/dbraw/zinc/47/18/21/654471821.db2.gz JHGWIPCTNHDWOM-GFCCVEGCSA-N 1 0 379.511 2.091 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000906887370 654483138 /nfs/dbraw/zinc/48/31/38/654483138.db2.gz BHOXIPJBNCWDPO-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063745 654505602 /nfs/dbraw/zinc/50/56/02/654505602.db2.gz RTBWLAVRBCKUPZ-MLGOLLRUSA-N 1 0 398.326 2.426 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)C2)s1 ZINC000907344189 654533774 /nfs/dbraw/zinc/53/37/74/654533774.db2.gz CVUSJUSIKSHCJW-ZBFHGGJFSA-N 1 0 384.571 2.147 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)C2)s1 ZINC000907344227 654533866 /nfs/dbraw/zinc/53/38/66/654533866.db2.gz DXZFUXSGZZAFSW-ZBFHGGJFSA-N 1 0 384.571 2.289 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000907794579 654579689 /nfs/dbraw/zinc/57/96/89/654579689.db2.gz QLVMQACOWRZCAL-UHFFFAOYSA-N 1 0 378.416 2.233 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(F)cc2I)CC1 ZINC000928656815 654654787 /nfs/dbraw/zinc/65/47/87/654654787.db2.gz HKLCNSBUDSBAFH-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(C)ccc2I)CC1 ZINC000928658128 654654812 /nfs/dbraw/zinc/65/48/12/654654812.db2.gz MBRRTLJGXZWICH-UHFFFAOYSA-N 1 0 382.245 2.427 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000931085647 654728746 /nfs/dbraw/zinc/72/87/46/654728746.db2.gz AXFICBPPUCOUAN-UHFFFAOYSA-N 1 0 382.258 2.312 20 30 GEEDRO CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+](C)CC1 ZINC000931379961 654740314 /nfs/dbraw/zinc/74/03/14/654740314.db2.gz MOHGVMWHXWMEAB-UHFFFAOYSA-N 1 0 380.290 2.032 20 30 GEEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1I)C[NH+](C)C ZINC000932548633 654781024 /nfs/dbraw/zinc/78/10/24/654781024.db2.gz CRVGHWGEPQAIOR-JTQLQIEISA-N 1 0 386.237 2.482 20 30 GEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498589 654851476 /nfs/dbraw/zinc/85/14/76/654851476.db2.gz ANVKXYAUOCJTKJ-IAGOWNOFSA-N 1 0 380.286 2.055 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000915453237 654871389 /nfs/dbraw/zinc/87/13/89/654871389.db2.gz YNSDLAOGMYHVJX-UHFFFAOYSA-N 1 0 380.286 2.355 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1C#N)CCC2 ZINC001164811303 720212230 /nfs/dbraw/zinc/21/22/30/720212230.db2.gz FSXWFSHHZPCOLE-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(Cl)c1C#N)CCC2 ZINC001164810865 720216653 /nfs/dbraw/zinc/21/66/53/720216653.db2.gz FGEJXJUPRAYODT-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1CC#N ZINC001164829316 720342232 /nfs/dbraw/zinc/34/22/32/720342232.db2.gz RCOYLLBTUXENKT-VQTJNVASSA-N 1 0 381.524 2.368 20 30 GEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001164734026 720532890 /nfs/dbraw/zinc/53/28/90/720532890.db2.gz GARGFDGHQWPRRL-CQSZACIVSA-N 1 0 391.435 2.409 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(C#N)c[nH]c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840245 720579910 /nfs/dbraw/zinc/57/99/10/720579910.db2.gz PHLHRLZVZFOARX-HHXXYDBFSA-N 1 0 390.495 2.404 20 30 GEEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742809 720801350 /nfs/dbraw/zinc/80/13/50/720801350.db2.gz FCDAQJUHTPGXHU-RYUDHWBXSA-N 1 0 391.262 2.392 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@H]2C1 ZINC001164861691 720855149 /nfs/dbraw/zinc/85/51/49/720855149.db2.gz YCXPTVSMEALPRA-SWLSCSKDSA-N 1 0 385.295 2.434 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]2C1 ZINC001164865109 720872950 /nfs/dbraw/zinc/87/29/50/720872950.db2.gz YKTPXAPCINFHNP-TZIWHRDSSA-N 1 0 393.491 2.189 20 30 GEEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCC2 ZINC001164877656 721145142 /nfs/dbraw/zinc/14/51/42/721145142.db2.gz PPCMELRBBKLISL-WOJBJXKFSA-N 1 0 375.476 2.317 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893821 721438756 /nfs/dbraw/zinc/43/87/56/721438756.db2.gz KSZIIAHQFHDRMC-RBBKRZOGSA-N 1 0 383.540 2.222 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)nc1C)CC2 ZINC001164789385 721464525 /nfs/dbraw/zinc/46/45/25/721464525.db2.gz XPAGEZJTUPQOTI-FQEVSTJZSA-N 1 0 399.539 2.391 20 30 GEEDRO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1C#N ZINC001164795620 721526268 /nfs/dbraw/zinc/52/62/68/721526268.db2.gz PHPYPZBRTQKYOT-LQWHRVPQSA-N 1 0 379.464 2.225 20 30 GEEDRO N#CC1(c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2)CCOCC1 ZINC001165055871 722016555 /nfs/dbraw/zinc/01/65/55/722016555.db2.gz MQXFBLVRCHZGPE-UHFFFAOYSA-N 1 0 377.492 2.413 20 30 GEEDRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164985871 722100248 /nfs/dbraw/zinc/10/02/48/722100248.db2.gz XHOXARFWCTZOIW-PXNSSMCTSA-N 1 0 379.464 2.084 20 30 GEEDRO N#Cc1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982834 722106263 /nfs/dbraw/zinc/10/62/63/722106263.db2.gz PHIPQZADAAKYHI-RDJZCZTQSA-N 1 0 384.871 2.124 20 30 GEEDRO CC[NH+]=C(NCc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000152602103 531560602 /nfs/dbraw/zinc/56/06/02/531560602.db2.gz QUIGBFHUDLLGMZ-CQSZACIVSA-N 1 0 377.290 2.111 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155220577 531666679 /nfs/dbraw/zinc/66/66/79/531666679.db2.gz OHIPPRZJWSXKKL-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159782459 531793432 /nfs/dbraw/zinc/79/34/32/531793432.db2.gz MRFIDHLOTSPZRN-WXHSDQCUSA-N 1 0 382.258 2.163 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000173274440 532001452 /nfs/dbraw/zinc/00/14/52/532001452.db2.gz OWNCOIHDPKBQNI-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122092895 532056231 /nfs/dbraw/zinc/05/62/31/532056231.db2.gz QIOQRFAYUQDJNK-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000122109652 532058370 /nfs/dbraw/zinc/05/83/70/532058370.db2.gz SFMDOFHPLWVVSJ-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000122476757 532071234 /nfs/dbraw/zinc/07/12/34/532071234.db2.gz PSYNCPFEKICEIC-CJNGLKHVSA-N 1 0 398.326 2.426 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000124451617 532122305 /nfs/dbraw/zinc/12/23/05/532122305.db2.gz SGIUQODXILFUOL-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Br)cc2)c1C#N ZINC000128217308 532162157 /nfs/dbraw/zinc/16/21/57/532162157.db2.gz KGGNRUQTKHRQAE-UHFFFAOYSA-N 1 0 376.258 2.377 20 30 GEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000185836860 532338853 /nfs/dbraw/zinc/33/88/53/532338853.db2.gz BYONNIFFHHNDOC-UHFFFAOYSA-N 1 0 379.507 2.381 20 30 GEEDRO O=C(NCC[NH2+]Cc1cc(Br)cc2c1OCC2)C1N=CC=CC1=O ZINC000185035354 532336557 /nfs/dbraw/zinc/33/65/57/532336557.db2.gz XLIPVYOCQMQBQW-ICFOKQHNSA-N 1 0 392.253 2.000 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000294525818 532363873 /nfs/dbraw/zinc/36/38/73/532363873.db2.gz ZNPPUUPMYNMACN-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)ccc(Br)c1C#N ZINC000425724177 532390914 /nfs/dbraw/zinc/39/09/14/532390914.db2.gz KDKWTUBKLSKSNV-UHFFFAOYSA-N 1 0 381.274 2.024 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757376 532460481 /nfs/dbraw/zinc/46/04/81/532460481.db2.gz KYMVROKHNLOLSP-INIZCTEOSA-N 1 0 391.313 2.310 20 30 GEEDRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@@H](C)O1 ZINC000373818103 532471918 /nfs/dbraw/zinc/47/19/18/532471918.db2.gz DSJJDRJDGCIAEA-ZIAGYGMSSA-N 1 0 383.539 2.130 20 30 GEEDRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000563869024 532511720 /nfs/dbraw/zinc/51/17/20/532511720.db2.gz ZTWAOBNETKVWHV-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000564853693 532535598 /nfs/dbraw/zinc/53/55/98/532535598.db2.gz HQCDHXNCPQHABR-MRXNPFEDSA-N 1 0 379.869 2.358 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)c(F)c2)nc1 ZINC000564860754 532535830 /nfs/dbraw/zinc/53/58/30/532535830.db2.gz RXGUAPGJKIQWKT-UHFFFAOYSA-N 1 0 383.832 2.188 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000595074342 532542740 /nfs/dbraw/zinc/54/27/40/532542740.db2.gz QRRCGCVCCFUWBM-ZDUSSCGKSA-N 1 0 393.285 2.248 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000594801303 532531586 /nfs/dbraw/zinc/53/15/86/532531586.db2.gz MRWCGQNCMFCYKA-CYBMUJFWSA-N 1 0 386.315 2.472 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000376618600 532621484 /nfs/dbraw/zinc/62/14/84/532621484.db2.gz PEHFZNAPRSJSPA-KBPBESRZSA-N 1 0 379.258 2.305 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000474157728 532608333 /nfs/dbraw/zinc/60/83/33/532608333.db2.gz CCAHPGSWTYNBQT-INIZCTEOSA-N 1 0 385.917 2.333 20 30 GEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(Br)c2)CC1 ZINC000264055079 532658447 /nfs/dbraw/zinc/65/84/47/532658447.db2.gz AKFRYBOJCQXLPT-UHFFFAOYSA-N 1 0 383.290 2.474 20 30 GEEDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000601577994 532686035 /nfs/dbraw/zinc/68/60/35/532686035.db2.gz VSGZHIKCWHZFCM-CYBMUJFWSA-N 1 0 393.285 2.154 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCOc2ccc(Br)cc2)CCOCC1 ZINC000600722312 532679459 /nfs/dbraw/zinc/67/94/59/532679459.db2.gz QNYIIQJJKIWJOS-HNNXBMFYSA-N 1 0 383.286 2.489 20 30 GEEDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccsc2S1(=O)=O ZINC000600739599 532681151 /nfs/dbraw/zinc/68/11/51/532681151.db2.gz QNSGSOKHKRTHFK-YDHLFZDLSA-N 1 0 384.523 2.016 20 30 GEEDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600758038 532681600 /nfs/dbraw/zinc/68/16/00/532681600.db2.gz WJSXZNBGWCZGLS-CQSZACIVSA-N 1 0 384.274 2.014 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000285587197 532693382 /nfs/dbraw/zinc/69/33/82/532693382.db2.gz XGMWHNPITIZLEL-IAGOWNOFSA-N 1 0 382.302 2.301 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000299493889 532721842 /nfs/dbraw/zinc/72/18/42/532721842.db2.gz IWJJZYWZRYWFBL-UHFFFAOYSA-N 1 0 392.297 2.157 20 30 GEEDRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]2[NH3+])cn1 ZINC000575245202 532719384 /nfs/dbraw/zinc/71/93/84/532719384.db2.gz RFKTUKZVXVAPSR-DZGCQCFKSA-N 1 0 389.257 2.013 20 30 GEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000442793149 532735095 /nfs/dbraw/zinc/73/50/95/532735095.db2.gz PPZFVDPWCKJQTL-BNOWGMLFSA-N 1 0 386.233 2.313 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286582356 532756548 /nfs/dbraw/zinc/75/65/48/532756548.db2.gz VCTJOUYHAGDLND-OAHLLOKOSA-N 1 0 381.567 2.112 20 30 GEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594642 532757882 /nfs/dbraw/zinc/75/78/82/532757882.db2.gz QUOXXEQALJGACP-IAGOWNOFSA-N 1 0 380.286 2.055 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000411243501 532751099 /nfs/dbraw/zinc/75/10/99/532751099.db2.gz LRFXGDJDISDXMG-CYBMUJFWSA-N 1 0 396.285 2.163 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000542046629 532763950 /nfs/dbraw/zinc/76/39/50/532763950.db2.gz IYVAKCKSYMKSAU-JBEBIEQOSA-N 1 0 376.503 2.420 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000411532168 532765253 /nfs/dbraw/zinc/76/52/53/532765253.db2.gz KRLBANBTWCFIHX-NSHDSACASA-N 1 0 384.274 2.019 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302058114 532766300 /nfs/dbraw/zinc/76/63/00/532766300.db2.gz BIRHWFISTVGHCT-MRXNPFEDSA-N 1 0 377.286 2.064 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286805925 532770076 /nfs/dbraw/zinc/77/00/76/532770076.db2.gz HWEUPLFKRYQUPS-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000510436124 532773058 /nfs/dbraw/zinc/77/30/58/532773058.db2.gz OKIYENMMKAEWJU-AWEZNQCLSA-N 1 0 395.282 2.484 20 30 GEEDRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588986965 532773563 /nfs/dbraw/zinc/77/35/63/532773563.db2.gz SGUPTMADOTZLFC-INIZCTEOSA-N 1 0 393.285 2.083 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000326526442 532790194 /nfs/dbraw/zinc/79/01/94/532790194.db2.gz GCDLASHSIHRMBH-CXAGYDPISA-N 1 0 391.269 2.260 20 30 GEEDRO Cc1nc(N2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)sc1C ZINC000328664954 532794951 /nfs/dbraw/zinc/79/49/51/532794951.db2.gz CCACPPUVPWYPBG-KRWDZBQOSA-N 1 0 383.587 2.233 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1(=O)=O ZINC000329503140 532807653 /nfs/dbraw/zinc/80/76/53/532807653.db2.gz ANLKFECCUBWWSD-HUBLWGQQSA-N 1 0 383.539 2.343 20 30 GEEDRO C[C@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3nc[nH]c3C2)c2ccsc2S1(=O)=O ZINC000329696454 532809999 /nfs/dbraw/zinc/80/99/99/532809999.db2.gz BUHYCYNBXJCQQG-KWBADKCTSA-N 1 0 380.495 2.139 20 30 GEEDRO C[C@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3nc[nH]c3C2)c2ccsc2S1(=O)=O ZINC000329696453 532810132 /nfs/dbraw/zinc/81/01/32/532810132.db2.gz BUHYCYNBXJCQQG-CWSCBRNRSA-N 1 0 380.495 2.139 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 ZINC000272475196 532815847 /nfs/dbraw/zinc/81/58/47/532815847.db2.gz UHTVJWPWANXGSI-DOMZBBRYSA-N 1 0 384.299 2.035 20 30 GEEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc(I)c1 ZINC000330611271 532822092 /nfs/dbraw/zinc/82/20/92/532822092.db2.gz PSZYPKFIPWGREY-CQSZACIVSA-N 1 0 388.249 2.443 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000330619167 532822819 /nfs/dbraw/zinc/82/28/19/532822819.db2.gz ZAMLHKVKGMNULA-GJZGRUSLSA-N 1 0 386.315 2.271 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330682915 532825668 /nfs/dbraw/zinc/82/56/68/532825668.db2.gz OKKLCOUDZFMJFS-GFCCVEGCSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331179642 532834990 /nfs/dbraw/zinc/83/49/90/532834990.db2.gz GQVIPUJDAUGSPY-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1Br ZINC000415283610 532840306 /nfs/dbraw/zinc/84/03/06/532840306.db2.gz TZVWWKOEQUPULX-UHFFFAOYSA-N 1 0 379.258 2.037 20 30 GEEDRO C#C[C@H](C)[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000289349317 532852654 /nfs/dbraw/zinc/85/26/54/532852654.db2.gz IYMXHJPJRDQSRD-LBPRGKRZSA-N 1 0 383.286 2.426 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000274824642 532857422 /nfs/dbraw/zinc/85/74/22/532857422.db2.gz QRIGDVPCZREPTB-HZPDHXFCSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415805531 532858417 /nfs/dbraw/zinc/85/84/17/532858417.db2.gz NRPOWRYQSYYXDK-CYBMUJFWSA-N 1 0 383.290 2.039 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415847962 532860275 /nfs/dbraw/zinc/86/02/75/532860275.db2.gz XIIUSHJCQUPXSD-DGCLKSJQSA-N 1 0 396.285 2.196 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415864806 532861148 /nfs/dbraw/zinc/86/11/48/532861148.db2.gz IFNCLNIZTZWNGG-CYBMUJFWSA-N 1 0 396.285 2.211 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000333649106 532871442 /nfs/dbraw/zinc/87/14/42/532871442.db2.gz JMKPUUFHOFFXGC-GOEBONIOSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ncccc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000276988174 532905261 /nfs/dbraw/zinc/90/52/61/532905261.db2.gz ICCYMJYPRRZEMG-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000364261981 532905674 /nfs/dbraw/zinc/90/56/74/532905674.db2.gz UWVQMSXDWNYDNA-GJZGRUSLSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1ccc(CN2CCN([C@H]3CCCCNC3=O)CC2)c(Br)c1 ZINC000364862710 532908571 /nfs/dbraw/zinc/90/85/71/532908571.db2.gz YDEWGDCMRVKPPT-KRWDZBQOSA-N 1 0 391.313 2.107 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000365700111 532911712 /nfs/dbraw/zinc/91/17/12/532911712.db2.gz GQVMVKIQFUGWAM-GLQYFDAESA-N 1 0 384.299 2.069 20 30 GEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000292973842 532920476 /nfs/dbraw/zinc/92/04/76/532920476.db2.gz GZXFWACOXOYZJD-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000367743727 532926925 /nfs/dbraw/zinc/92/69/25/532926925.db2.gz ARUGHIOTLNKWCK-LBPRGKRZSA-N 1 0 384.299 2.180 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367849228 532927975 /nfs/dbraw/zinc/92/79/75/532927975.db2.gz OBCINMKHJZABFE-QGZVFWFLSA-N 1 0 391.313 2.235 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000170623049 570881327 /nfs/dbraw/zinc/88/13/27/570881327.db2.gz CSWOUGOXAAMCBG-UHFFFAOYSA-N 1 0 379.342 2.473 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821181175 607322493 /nfs/dbraw/zinc/32/24/93/607322493.db2.gz KMEYIFCRLOFDRT-HNNXBMFYSA-N 1 0 385.468 2.301 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399140 598361528 /nfs/dbraw/zinc/36/15/28/598361528.db2.gz PNIGAZDBDUHWIR-UHFFFAOYSA-N 1 0 386.525 2.257 20 30 GEEDRO COCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737003518 598539346 /nfs/dbraw/zinc/53/93/46/598539346.db2.gz XEIZOYYMAZTGRB-UHFFFAOYSA-N 1 0 378.436 2.418 20 30 GEEDRO N#CCOc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737694181 598812940 /nfs/dbraw/zinc/81/29/40/598812940.db2.gz BCHMNCCPESVSLM-UHFFFAOYSA-N 1 0 389.463 2.087 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000823878384 607454506 /nfs/dbraw/zinc/45/45/06/607454506.db2.gz XFIQGWZABMINDE-UHFFFAOYSA-N 1 0 381.484 2.196 20 30 GEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)CC1 ZINC000822399529 606515026 /nfs/dbraw/zinc/51/50/26/606515026.db2.gz ISEBLCPOIIQLEM-UHFFFAOYSA-N 1 0 388.435 2.297 20 30 GEEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822832776 606896516 /nfs/dbraw/zinc/89/65/16/606896516.db2.gz GGEPFUHRHMGTRG-HXUWFJFHSA-N 1 0 390.447 2.315 20 30 GEEDRO Clc1cc(-c2nn[nH]n2)cc(N=NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000826350498 608539742 /nfs/dbraw/zinc/53/97/42/608539742.db2.gz YZLXEZRULFUQMU-UHFFFAOYSA-N 1 0 383.847 2.374 20 30 GEEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000826384827 608661528 /nfs/dbraw/zinc/66/15/28/608661528.db2.gz LDIKRBUAQRNAFS-UHFFFAOYSA-N 1 0 377.408 2.182 20 30 GEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449206531 650034390 /nfs/dbraw/zinc/03/43/90/650034390.db2.gz PZJNHTSQSSWIEC-CHWSQXEVSA-N 1 0 385.302 2.237 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108391 650060218 /nfs/dbraw/zinc/06/02/18/650060218.db2.gz VIRCFYQEIWYJCJ-NHYWBVRUSA-N 1 0 378.270 2.298 20 30 GEEDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451422107 650112700 /nfs/dbraw/zinc/11/27/00/650112700.db2.gz ABZVVSFBWOQCCB-SNVBAGLBSA-N 1 0 392.294 2.468 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000500630663 650381572 /nfs/dbraw/zinc/38/15/72/650381572.db2.gz HDROSOITLKQMFR-LLVKDONJSA-N 1 0 391.269 2.026 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047393 650386607 /nfs/dbraw/zinc/38/66/07/650386607.db2.gz CXSZGHRCUKMYIU-MRXNPFEDSA-N 1 0 379.302 2.110 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000480734539 650629815 /nfs/dbraw/zinc/62/98/15/650629815.db2.gz QKHQYVNUWCLIMV-SJORKVTESA-N 1 0 383.514 2.039 20 30 GEEDRO N#Cc1ccc([C@H]([NH2+]CCCCn2cc(Br)cn2)C(N)=O)cc1 ZINC000481602652 650650358 /nfs/dbraw/zinc/65/03/58/650650358.db2.gz GTTFHFGILFBOSZ-HNNXBMFYSA-N 1 0 376.258 2.114 20 30 GEEDRO N#CCCCOc1cccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000533330515 650760282 /nfs/dbraw/zinc/76/02/82/650760282.db2.gz XGNQIYZLOOEVEK-UHFFFAOYSA-N 1 0 379.507 2.499 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000106035645 643218785 /nfs/dbraw/zinc/21/87/85/643218785.db2.gz BCDDHCNAYXVIRP-UHFFFAOYSA-N 1 0 385.917 2.482 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1cccc(Br)c1 ZINC000121433222 643632764 /nfs/dbraw/zinc/63/27/64/643632764.db2.gz HIABFERYBBQNLS-HNNXBMFYSA-N 1 0 378.274 2.224 20 30 GEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)n2c1 ZINC000123412697 643669011 /nfs/dbraw/zinc/66/90/11/643669011.db2.gz KMMQBRZFGAGZES-UHFFFAOYSA-N 1 0 398.264 2.488 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000125162562 643701652 /nfs/dbraw/zinc/70/16/52/643701652.db2.gz UKQGEUUHHQUPHU-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498664555 650862128 /nfs/dbraw/zinc/86/21/28/650862128.db2.gz ABAJAFXBTUYPRH-CQSZACIVSA-N 1 0 393.285 2.250 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498664552 650862178 /nfs/dbraw/zinc/86/21/78/650862178.db2.gz ABAJAFXBTUYPRH-AWEZNQCLSA-N 1 0 393.285 2.250 20 30 GEEDRO C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127869617 643788760 /nfs/dbraw/zinc/78/87/60/643788760.db2.gz MMZILSNANHHOIA-UHFFFAOYSA-N 1 0 384.910 2.482 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)s1 ZINC000151424203 643943433 /nfs/dbraw/zinc/94/34/33/643943433.db2.gz HAHHDLBDXUIMLV-UHFFFAOYSA-N 1 0 378.523 2.250 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000171095110 644307708 /nfs/dbraw/zinc/30/77/08/644307708.db2.gz DLBCEIQWRMTPRJ-CQSZACIVSA-N 1 0 376.507 2.205 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173101799 644352444 /nfs/dbraw/zinc/35/24/44/644352444.db2.gz GSBOEWLZOMBAJA-UHFFFAOYSA-N 1 0 381.270 2.407 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000180028855 644484131 /nfs/dbraw/zinc/48/41/31/644484131.db2.gz NINKBCLZKVYEPC-LBPRGKRZSA-N 1 0 379.258 2.382 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N(C)C[C@@H]1CCOC1 ZINC000261603914 645589160 /nfs/dbraw/zinc/58/91/60/645589160.db2.gz CUAUKRWAAXBPIA-LBPRGKRZSA-N 1 0 398.301 2.264 20 30 GEEDRO C[NH+]=C(NCCn1cccc1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000261690336 645593500 /nfs/dbraw/zinc/59/35/00/645593500.db2.gz FBFTUKMWAXJVAL-UHFFFAOYSA-N 1 0 393.285 2.387 20 30 GEEDRO [NH2+]=C(NCCOc1ccc(I)cc1)N1CCSCC1 ZINC000261667091 645593946 /nfs/dbraw/zinc/59/39/46/645593946.db2.gz GACLBCFSMKSDGK-UHFFFAOYSA-N 1 0 391.278 2.034 20 30 GEEDRO CCc1nsc(N2CCN(C(NCc3csc(CC)n3)=[NH+]C)CC2)n1 ZINC000261709305 645595273 /nfs/dbraw/zinc/59/52/73/645595273.db2.gz HARBWKDDHYCWIL-UHFFFAOYSA-N 1 0 379.559 2.017 20 30 GEEDRO CC[NH+]=C(NCCOc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261994339 645614761 /nfs/dbraw/zinc/61/47/61/645614761.db2.gz SBBSRTUHVAKHHN-UHFFFAOYSA-N 1 0 387.933 2.193 20 30 GEEDRO CC[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1CCCO1 ZINC000262591532 645638487 /nfs/dbraw/zinc/63/84/87/645638487.db2.gz UYTRTJIPJYHFKC-ZDUSSCGKSA-N 1 0 398.301 2.454 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262585517 645638536 /nfs/dbraw/zinc/63/85/36/645638536.db2.gz SEKUVPMVSWCMHO-GFCCVEGCSA-N 1 0 378.325 2.435 20 30 GEEDRO C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262761402 645644318 /nfs/dbraw/zinc/64/43/18/645644318.db2.gz INPNRAABYZNSIM-CYBMUJFWSA-N 1 0 393.289 2.084 20 30 GEEDRO [NH2+]=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@@H]1CCCO1 ZINC000262754678 645644595 /nfs/dbraw/zinc/64/45/95/645644595.db2.gz CXVYGWMFAVIELV-HNNXBMFYSA-N 1 0 378.274 2.218 20 30 GEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1ccc(Br)cc1 ZINC000262782106 645645263 /nfs/dbraw/zinc/64/52/63/645645263.db2.gz LHGYOMJHKJIBRV-UHFFFAOYSA-N 1 0 393.333 2.456 20 30 GEEDRO C[NH+]=C(NCc1nccn1C)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262832827 645646869 /nfs/dbraw/zinc/64/68/69/645646869.db2.gz VLEOOBDUEFSUSW-ZDUSSCGKSA-N 1 0 391.317 2.127 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000264499868 645686082 /nfs/dbraw/zinc/68/60/82/645686082.db2.gz QELMZPWSVYVGNF-OAHLLOKOSA-N 1 0 377.432 2.358 20 30 GEEDRO C#CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000268045507 645941792 /nfs/dbraw/zinc/94/17/92/645941792.db2.gz QBWTUNWQRZKNBA-UHFFFAOYSA-N 1 0 376.400 2.102 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271068549 646170258 /nfs/dbraw/zinc/17/02/58/646170258.db2.gz NKYQXFNFSMCOEP-MRXNPFEDSA-N 1 0 382.302 2.432 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000278611824 646530594 /nfs/dbraw/zinc/53/05/94/646530594.db2.gz BPSYBBWBIKRMLZ-CZUORRHYSA-N 1 0 398.326 2.426 20 30 GEEDRO C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000292752630 647209371 /nfs/dbraw/zinc/20/93/71/647209371.db2.gz IEUBVJNUGCLYAY-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+]1CCCC1 ZINC000293045450 647212521 /nfs/dbraw/zinc/21/25/21/647212521.db2.gz KFRJNZWYQRAGOX-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000296664347 647254346 /nfs/dbraw/zinc/25/43/46/647254346.db2.gz YTBKSVNUPWEGSC-HNNXBMFYSA-N 1 0 380.286 2.287 20 30 GEEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000303907913 647278391 /nfs/dbraw/zinc/27/83/91/647278391.db2.gz XFPDNCWMKPURTP-UHFFFAOYSA-N 1 0 382.873 2.184 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000330571733 647345965 /nfs/dbraw/zinc/34/59/65/647345965.db2.gz FSPVOLINWMWYCU-ZIAGYGMSSA-N 1 0 393.456 2.243 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000333627593 647477209 /nfs/dbraw/zinc/47/72/09/647477209.db2.gz GBYCAJFOTOHSKP-WBVHZDCISA-N 1 0 383.901 2.119 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CC(=O)Nc3cc(Br)ccc32)CC1 ZINC000362708455 647572033 /nfs/dbraw/zinc/57/20/33/647572033.db2.gz BYUYPKWZHAEOGZ-UHFFFAOYSA-N 1 0 376.254 2.079 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364922739 647649008 /nfs/dbraw/zinc/64/90/08/647649008.db2.gz YBICIZGRJBSXFW-HOCLYGCPSA-N 1 0 379.844 2.466 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408112793 647927467 /nfs/dbraw/zinc/92/74/67/647927467.db2.gz NYTPNNUFDLPLLL-KBPBESRZSA-N 1 0 384.299 2.226 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)C[NH+]1CCCC1 ZINC000419647964 648359380 /nfs/dbraw/zinc/35/93/80/648359380.db2.gz KPRZGOAMZCHUIS-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C(C)(C)C[NH+](C)C ZINC000419668317 648360953 /nfs/dbraw/zinc/36/09/53/648360953.db2.gz ALEZNCUKQFBNPE-NSHDSACASA-N 1 0 395.301 2.352 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419690822 648365222 /nfs/dbraw/zinc/36/52/22/648365222.db2.gz CSNJLKOHRILVRL-BXUZGUMPSA-N 1 0 393.285 2.058 20 30 GEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419736288 648372890 /nfs/dbraw/zinc/37/28/90/648372890.db2.gz XCPUROLEVWVRIT-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000556176818 651237809 /nfs/dbraw/zinc/23/78/09/651237809.db2.gz JGTSAUKPSFHYGW-AWEZNQCLSA-N 1 0 378.270 2.396 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N/[C@@H](C)c1cccs1 ZINC000730145094 651590997 /nfs/dbraw/zinc/59/09/97/651590997.db2.gz WNSNMQXFHYKXMI-GIZFXCGESA-N 1 0 382.555 2.197 20 30 GEEDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)OCCc2sccc21 ZINC000568742052 651678260 /nfs/dbraw/zinc/67/82/60/651678260.db2.gz FQLSJELWHBAESY-SFHVURJKSA-N 1 0 376.503 2.471 20 30 GEEDRO C#CC[N@@H+](CCCC(=O)NC(N)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195718 651693091 /nfs/dbraw/zinc/69/30/91/651693091.db2.gz USQWOPXNILCEPY-AWEZNQCLSA-N 1 0 394.269 2.183 20 30 GEEDRO C#CC[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733198214 651693286 /nfs/dbraw/zinc/69/32/86/651693286.db2.gz YXGIWBXDTJRDML-WBVHZDCISA-N 1 0 390.281 2.466 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000570161334 651750615 /nfs/dbraw/zinc/75/06/15/651750615.db2.gz UNRYZAGVMZOHEI-ZIAGYGMSSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000570161332 651750733 /nfs/dbraw/zinc/75/07/33/651750733.db2.gz UNRYZAGVMZOHEI-UONOGXRCSA-N 1 0 398.326 2.331 20 30 GEEDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)OCCc2sccc21 ZINC000572714907 651907428 /nfs/dbraw/zinc/90/74/28/651907428.db2.gz BJOJQGSUIWIGTB-GOSISDBHSA-N 1 0 376.503 2.471 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652634224 651920939 /nfs/dbraw/zinc/92/09/39/651920939.db2.gz VPLFPNKGOAHFGY-UHFFFAOYSA-N 1 0 396.285 2.198 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccccc2Br)nc1 ZINC000573676000 651972726 /nfs/dbraw/zinc/97/27/26/651972726.db2.gz GAVGVBIFLLBRBW-UHFFFAOYSA-N 1 0 394.294 2.322 20 30 GEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000573736187 651977144 /nfs/dbraw/zinc/97/71/44/651977144.db2.gz MFZKRRJARSKGNA-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000747816820 652179689 /nfs/dbraw/zinc/17/96/89/652179689.db2.gz YAFBTMWFLHNOQM-HNNXBMFYSA-N 1 0 385.291 2.195 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000578412365 652269840 /nfs/dbraw/zinc/26/98/40/652269840.db2.gz HIGRPVBNNYBQPA-UHFFFAOYSA-N 1 0 375.519 2.041 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659097801 652343478 /nfs/dbraw/zinc/34/34/78/652343478.db2.gz LRSCHTOKFRGIKI-UHFFFAOYSA-N 1 0 396.285 2.340 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492941 652452715 /nfs/dbraw/zinc/45/27/15/652452715.db2.gz VLILQUSTFWHRED-CJNGLKHVSA-N 1 0 379.302 2.413 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492943 652452758 /nfs/dbraw/zinc/45/27/58/652452758.db2.gz VLILQUSTFWHRED-XJKSGUPXSA-N 1 0 379.302 2.413 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000662517517 652465629 /nfs/dbraw/zinc/46/56/29/652465629.db2.gz ICHQOEWRHJDRGZ-CYBMUJFWSA-N 1 0 396.285 2.163 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202487 652476782 /nfs/dbraw/zinc/47/67/82/652476782.db2.gz UCLNXTUNNKJMQW-CZUORRHYSA-N 1 0 379.302 2.413 20 30 GEEDRO N#Cc1cnn2cc(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)cnc12 ZINC000584425385 652520766 /nfs/dbraw/zinc/52/07/66/652520766.db2.gz UUQWBEJWQNXRFC-UHFFFAOYSA-N 1 0 386.209 2.382 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000590215317 652576539 /nfs/dbraw/zinc/57/65/39/652576539.db2.gz UUKHMZRAEYJAMA-ZIAGYGMSSA-N 1 0 391.269 2.002 20 30 GEEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000590253566 652577712 /nfs/dbraw/zinc/57/77/12/652577712.db2.gz CODDUFMCFOMAPL-CQSZACIVSA-N 1 0 393.285 2.248 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667515389 652609641 /nfs/dbraw/zinc/60/96/41/652609641.db2.gz USZMFTPEGLBTRM-UHFFFAOYSA-N 1 0 396.285 2.292 20 30 GEEDRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593410122 652620424 /nfs/dbraw/zinc/62/04/24/652620424.db2.gz JHJVMWRRMMJWAE-UHFFFAOYSA-N 1 0 393.329 2.007 20 30 GEEDRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593447777 652621503 /nfs/dbraw/zinc/62/15/03/652621503.db2.gz DOMKJAJSPKCZTR-UHFFFAOYSA-N 1 0 394.313 2.480 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000594430012 652648362 /nfs/dbraw/zinc/64/83/62/652648362.db2.gz ZBGJHIJBPCJVLV-AWEZNQCLSA-N 1 0 381.274 2.305 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000595003891 652702565 /nfs/dbraw/zinc/70/25/65/652702565.db2.gz MWBZWGBUMUXKIF-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)ccc(Br)c1C#N ZINC000595126440 652706805 /nfs/dbraw/zinc/70/68/05/652706805.db2.gz XNBMCFFJYVRQPW-SNVBAGLBSA-N 1 0 381.274 2.024 20 30 GEEDRO N#Cc1cc(Br)cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314892 652760313 /nfs/dbraw/zinc/76/03/13/652760313.db2.gz AKXOGXBRKMXHDG-UHFFFAOYSA-N 1 0 379.302 3.019 20 30 GEEDRO CC(=NOCC(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000764835149 652813586 /nfs/dbraw/zinc/81/35/86/652813586.db2.gz IORHQAPCCIOHKD-UHFFFAOYSA-N 1 0 381.420 2.220 20 30 GEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000598540238 652820041 /nfs/dbraw/zinc/82/00/41/652820041.db2.gz NCAITXCIDUCYEY-QGZVFWFLSA-N 1 0 394.313 2.432 20 30 GEEDRO N#CC1(C[C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CCOCC1 ZINC000599291816 652859940 /nfs/dbraw/zinc/85/99/40/652859940.db2.gz RRIMXSAQBBBUCX-INIZCTEOSA-N 1 0 397.317 2.354 20 30 GEEDRO C[C@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000599415830 652869724 /nfs/dbraw/zinc/86/97/24/652869724.db2.gz RVPNEEGOIVKEPO-DLBZAZTESA-N 1 0 397.313 2.318 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCSCC3)c2)s1 ZINC000601517529 653105321 /nfs/dbraw/zinc/10/53/21/653105321.db2.gz UNBXEVIXGVHMGJ-UHFFFAOYSA-N 1 0 380.520 2.046 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000601974998 653134715 /nfs/dbraw/zinc/13/47/15/653134715.db2.gz XUGBPFMTEUWHBA-INIZCTEOSA-N 1 0 378.881 2.351 20 30 GEEDRO C=C(Br)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769077883 653142189 /nfs/dbraw/zinc/14/21/89/653142189.db2.gz SVZOCBOFLUHFSM-CVEARBPZSA-N 1 0 382.302 2.077 20 30 GEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000602708618 653201322 /nfs/dbraw/zinc/20/13/22/653201322.db2.gz RGFDEBSZLWVURG-ZDUSSCGKSA-N 1 0 395.301 2.262 20 30 GEEDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(Br)cc2C#N)C1 ZINC000808263778 653224396 /nfs/dbraw/zinc/22/43/96/653224396.db2.gz FMSLJCZLCHKPMV-OAHLLOKOSA-N 1 0 381.274 2.428 20 30 GEEDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)cc(C#N)c1 ZINC000808320441 653227043 /nfs/dbraw/zinc/22/70/43/653227043.db2.gz SYICAIRLEOXPRE-UHFFFAOYSA-N 1 0 382.873 2.354 20 30 GEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000641759810 653233231 /nfs/dbraw/zinc/23/32/31/653233231.db2.gz JLSXINDLJBUJAF-WFASDCNBSA-N 1 0 385.302 2.379 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000774808328 653259403 /nfs/dbraw/zinc/25/94/03/653259403.db2.gz FSESOTPHMDXGLE-UHFFFAOYSA-N 1 0 386.334 2.316 20 30 GEEDRO CON=CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000809686262 653289449 /nfs/dbraw/zinc/28/94/49/653289449.db2.gz FDCQNSYWPBCQFU-UHFFFAOYSA-N 1 0 384.274 2.041 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826843 653337996 /nfs/dbraw/zinc/33/79/96/653337996.db2.gz QDWNTZHRDDGAPW-LSDHHAIUSA-N 1 0 378.270 2.395 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000836275699 653342167 /nfs/dbraw/zinc/34/21/67/653342167.db2.gz NPRWMDOMMVICFW-INIZCTEOSA-N 1 0 393.329 2.282 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)c1ccc(Br)cc1 ZINC000836352763 653346486 /nfs/dbraw/zinc/34/64/86/653346486.db2.gz XLZXFDHWDDGQDN-WMLDXEAASA-N 1 0 394.313 2.391 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000778179628 653433952 /nfs/dbraw/zinc/43/39/52/653433952.db2.gz XRJXKZHTNQVMBL-KDOFPFPSSA-N 1 0 383.897 2.178 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000876609387 653437544 /nfs/dbraw/zinc/43/75/44/653437544.db2.gz LZTIXOOPIMIVPZ-WCQYABFASA-N 1 0 380.794 2.373 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000876664577 653442069 /nfs/dbraw/zinc/44/20/69/653442069.db2.gz WPZSOLJDRPTUQU-LLVKDONJSA-N 1 0 381.281 2.172 20 30 GEEDRO Cc1cc(Br)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1Br ZINC000876801774 653448736 /nfs/dbraw/zinc/44/87/36/653448736.db2.gz INPXOGLBSZNEJS-QPUJVOFHSA-N 1 0 387.075 2.361 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000815082250 653650573 /nfs/dbraw/zinc/65/05/73/653650573.db2.gz HGLOVUHZIDMAQR-UHFFFAOYSA-N 1 0 393.292 2.013 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c(=O)c1C#N ZINC000816410565 653683908 /nfs/dbraw/zinc/68/39/08/653683908.db2.gz DMCGQMLECDXLRU-ZDUSSCGKSA-N 1 0 395.301 2.434 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000840951674 653703434 /nfs/dbraw/zinc/70/34/34/653703434.db2.gz FRVFYZOFRZUINT-UHFFFAOYSA-N 1 0 399.354 2.399 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000840953802 653703626 /nfs/dbraw/zinc/70/36/26/653703626.db2.gz ZIMRHOPMZOHCKA-UHFFFAOYSA-N 1 0 389.836 2.153 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031723 653705314 /nfs/dbraw/zinc/70/53/14/653705314.db2.gz VYZUCKQOPWVYQL-CPCISQLKSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142519 653707609 /nfs/dbraw/zinc/70/76/09/653707609.db2.gz RHBGYSQZWRYUMH-CPCISQLKSA-N 1 0 390.612 2.178 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000863564430 653715684 /nfs/dbraw/zinc/71/56/84/653715684.db2.gz UBVZYJCDSIVEDM-WMLDXEAASA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000818609418 653734811 /nfs/dbraw/zinc/73/48/11/653734811.db2.gz UYXIYKQZIYANHL-UHFFFAOYSA-N 1 0 395.297 2.492 20 30 GEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc(C#N)cc1Br ZINC000881901759 653748446 /nfs/dbraw/zinc/74/84/46/653748446.db2.gz HRGXYLLQQQFWBM-CQSZACIVSA-N 1 0 380.290 2.070 20 30 GEEDRO Cc1cc(Br)cnc1N=NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000819826797 653758377 /nfs/dbraw/zinc/75/83/77/653758377.db2.gz BCGGCUMOJBDLCN-UHFFFAOYSA-N 1 0 396.333 2.348 20 30 GEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000865506256 653766984 /nfs/dbraw/zinc/76/69/84/653766984.db2.gz QTNODROUOVQOGP-UHFFFAOYSA-N 1 0 378.523 2.096 20 30 GEEDRO C#C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820612559 653778311 /nfs/dbraw/zinc/77/83/11/653778311.db2.gz XREFQTSIQLHOPY-JKIFEVAISA-N 1 0 394.313 2.220 20 30 GEEDRO C[N@H+](CCNc1c(C#N)cnc2c(Br)cccc21)CCOCCO ZINC000882951473 653819244 /nfs/dbraw/zinc/81/92/44/653819244.db2.gz GQSDGEKNCNXWTI-UHFFFAOYSA-N 1 0 393.285 2.222 20 30 GEEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883085449 653825440 /nfs/dbraw/zinc/82/54/40/653825440.db2.gz RNMGKCHTEBXSCH-UHFFFAOYSA-N 1 0 396.289 2.338 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000884955267 653897800 /nfs/dbraw/zinc/89/78/00/653897800.db2.gz RUVFJFCZSPIXKH-QWHCGFSZSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884956522 653898335 /nfs/dbraw/zinc/89/83/35/653898335.db2.gz ARESYHGAAITWQZ-KGLIPLIRSA-N 1 0 384.299 2.226 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000885117462 653913510 /nfs/dbraw/zinc/91/35/10/653913510.db2.gz ZPUMJNRJRZIUDX-ZWKOTPCHSA-N 1 0 379.551 2.343 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885891000 653962171 /nfs/dbraw/zinc/96/21/71/653962171.db2.gz NSQPDKOFMZCFSO-KRWDZBQOSA-N 1 0 392.297 2.233 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000867808744 653990397 /nfs/dbraw/zinc/99/03/97/653990397.db2.gz ONFJUAIISQEQNK-IUODEOHRSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)C1(c2cncc(Br)c2)CC1)C1CC[NH+](C)CC1 ZINC000886577456 653992604 /nfs/dbraw/zinc/99/26/04/653992604.db2.gz JCBHIGQIUAEORU-UHFFFAOYSA-N 1 0 376.298 2.432 20 30 GEEDRO C#CCN(C(=O)Cc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000886577827 653992634 /nfs/dbraw/zinc/99/26/34/653992634.db2.gz YTTSQBWPXUJOPM-UHFFFAOYSA-N 1 0 396.272 2.390 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877751 654045291 /nfs/dbraw/zinc/04/52/91/654045291.db2.gz BWXJAXKXCRDRQE-FMKPAKJESA-N 1 0 387.933 2.275 20 30 GEEDRO C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000888416296 654082438 /nfs/dbraw/zinc/08/24/38/654082438.db2.gz ZQRKSELNAKJLFS-RYUDHWBXSA-N 1 0 382.921 2.158 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000830168862 654103537 /nfs/dbraw/zinc/10/35/37/654103537.db2.gz PNTQJMYRKLQOPZ-UHFFFAOYSA-N 1 0 378.263 2.402 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799931839 654121481 /nfs/dbraw/zinc/12/14/81/654121481.db2.gz FBSWQPYMZYRALT-INIZCTEOSA-N 1 0 382.302 2.432 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830515446 654123398 /nfs/dbraw/zinc/12/33/98/654123398.db2.gz XGPPIYFGYMXOEA-HNNXBMFYSA-N 1 0 396.272 2.295 20 30 GEEDRO C#CCN(Cn1c2ccc(Br)cc2oc1=O)C1CC[NH+](C)CC1 ZINC000902538027 654182348 /nfs/dbraw/zinc/18/23/48/654182348.db2.gz HJGQIRGIPRIGBW-UHFFFAOYSA-N 1 0 378.270 2.344 20 30 GEEDRO N#CCSCCC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000831550507 654191348 /nfs/dbraw/zinc/19/13/48/654191348.db2.gz PAFXWSDLUSPKTI-KGLIPLIRSA-N 1 0 379.448 2.181 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000903498625 654242103 /nfs/dbraw/zinc/24/21/03/654242103.db2.gz HEPWYVDNKXCYOG-CYBMUJFWSA-N 1 0 398.326 2.331 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580436 654261346 /nfs/dbraw/zinc/26/13/46/654261346.db2.gz UUINWHKVMMAIAF-UONOGXRCSA-N 1 0 375.416 2.388 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000871813589 654263975 /nfs/dbraw/zinc/26/39/75/654263975.db2.gz VCZRPYKSPFRNAL-RISCZKNCSA-N 1 0 375.416 2.245 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc2cc(I)ccc2[nH]1 ZINC000852916560 654268522 /nfs/dbraw/zinc/26/85/22/654268522.db2.gz MCDILHUCUDAHEP-UHFFFAOYSA-N 1 0 394.216 2.109 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903637192 654271030 /nfs/dbraw/zinc/27/10/30/654271030.db2.gz IUZZQZMMFUIPQZ-UHFFFAOYSA-N 1 0 396.310 2.087 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489168 654329269 /nfs/dbraw/zinc/32/92/69/654329269.db2.gz KEIQRVRJYSOLLK-IAQYHMDHSA-N 1 0 390.237 2.462 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493495 654329678 /nfs/dbraw/zinc/32/96/78/654329678.db2.gz DTYDUELABCDSFN-KWQFWETISA-N 1 0 397.323 2.404 20 30 GEEDRO CCc1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489676 654329877 /nfs/dbraw/zinc/32/98/77/654329877.db2.gz OODDQFIIMGTVRT-XHDPSFHLSA-N 1 0 388.269 2.039 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489169 654329909 /nfs/dbraw/zinc/32/99/09/654329909.db2.gz KEIQRVRJYSOLLK-NHYWBVRUSA-N 1 0 390.237 2.462 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000922022551 654355997 /nfs/dbraw/zinc/35/59/97/654355997.db2.gz NQUBKJZBWMGRKA-UHFFFAOYSA-N 1 0 389.836 2.105 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557111 654365961 /nfs/dbraw/zinc/36/59/61/654365961.db2.gz SOBKUQPDZCNWHO-UKRRQHHQSA-N 1 0 376.400 2.422 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852593 654385116 /nfs/dbraw/zinc/38/51/16/654385116.db2.gz JKLHSHSPOKWNSA-MFKMUULPSA-N 1 0 382.258 2.263 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000855698141 654434548 /nfs/dbraw/zinc/43/45/48/654434548.db2.gz LNOMUHKKAIDXLM-INIZCTEOSA-N 1 0 393.281 2.125 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc(Br)c1C#N ZINC000923264075 654440210 /nfs/dbraw/zinc/44/02/10/654440210.db2.gz FOZGCVCIUWUQJL-QWHCGFSZSA-N 1 0 378.270 2.395 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C2)s1 ZINC000907344226 654533763 /nfs/dbraw/zinc/53/37/63/654533763.db2.gz DXZFUXSGZZAFSW-HOCLYGCPSA-N 1 0 384.571 2.289 20 30 GEEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925313085 654541015 /nfs/dbraw/zinc/54/10/15/654541015.db2.gz LMCIEGNXFNJMGP-HNNXBMFYSA-N 1 0 394.269 2.006 20 30 GEEDRO O=C(NCC[NH2+][C@@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407903 654543818 /nfs/dbraw/zinc/54/38/18/654543818.db2.gz HHKXBGAWVGUQSF-PHODEOQFSA-N 1 0 391.269 2.338 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927888360 654619873 /nfs/dbraw/zinc/61/98/73/654619873.db2.gz IZAOYZJMDSRSMU-GFCCVEGCSA-N 1 0 396.285 2.150 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000928363115 654644772 /nfs/dbraw/zinc/64/47/72/654644772.db2.gz RFHBJZUNJRKQQI-OAHLLOKOSA-N 1 0 377.286 2.248 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928459207 654648200 /nfs/dbraw/zinc/64/82/00/654648200.db2.gz VICYMPSAIPSNJW-SMDDNHRTSA-N 1 0 396.285 2.307 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000928648128 654653988 /nfs/dbraw/zinc/65/39/88/654653988.db2.gz HCNTXVUHGWNWPT-UHFFFAOYSA-N 1 0 379.254 2.048 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000928649242 654654299 /nfs/dbraw/zinc/65/42/99/654654299.db2.gz WNHNNTUDWKNBSR-LBPRGKRZSA-N 1 0 378.108 2.096 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000928653413 654654318 /nfs/dbraw/zinc/65/43/18/654654318.db2.gz LOKRHMPQHHGTQF-UHFFFAOYSA-N 1 0 381.270 2.294 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(C)c(I)c2)CC1 ZINC000928657902 654654846 /nfs/dbraw/zinc/65/48/46/654654846.db2.gz DLKASHJHKZHWFK-UHFFFAOYSA-N 1 0 382.245 2.427 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000928656316 654654881 /nfs/dbraw/zinc/65/48/81/654654881.db2.gz RYMPOGCNABWKGM-UHFFFAOYSA-N 1 0 382.245 2.427 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000928656546 654654892 /nfs/dbraw/zinc/65/48/92/654654892.db2.gz ZCDICKPMMFWTIG-UHFFFAOYSA-N 1 0 380.242 2.114 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000928658928 654655122 /nfs/dbraw/zinc/65/51/22/654655122.db2.gz YOEWRUPRXOFIBN-UHFFFAOYSA-N 1 0 381.270 2.294 20 30 GEEDRO COC(=O)c1cc(NC(=O)NCC#CC[NH+](C)C)c(C)cc1Br ZINC000931408857 654741826 /nfs/dbraw/zinc/74/18/26/654741826.db2.gz XVFVHYGROZZNHH-UHFFFAOYSA-N 1 0 382.258 2.231 20 30 GEEDRO Cn1c(C(=O)NC2(C#N)CC[NH+](C)CC2)cc2cc(Br)cnc21 ZINC000932179100 654769082 /nfs/dbraw/zinc/76/90/82/654769082.db2.gz YENITSDYPCWCRR-UHFFFAOYSA-N 1 0 376.258 2.054 20 30 GEEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932551866 654781474 /nfs/dbraw/zinc/78/14/74/654781474.db2.gz WKGIXMKVQQGGHO-UHFFFAOYSA-N 1 0 384.221 2.332 20 30 GEEDRO O=C1NCCN1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940997 654795011 /nfs/dbraw/zinc/79/50/11/654795011.db2.gz SSJIQRNFPXHDSE-OCAPTIKFSA-N 1 0 381.267 2.114 20 30 GEEDRO C#CCNC(=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942527 654795036 /nfs/dbraw/zinc/79/50/36/654795036.db2.gz HTHOINVIWSBPIV-RKDXNWHRSA-N 1 0 378.263 2.229 20 30 GEEDRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC#CC[NH+](C)C ZINC000913519968 654797024 /nfs/dbraw/zinc/79/70/24/654797024.db2.gz XAXLXWHHNJFCDB-UHFFFAOYSA-N 1 0 377.238 2.159 20 30 GEEDRO C[C@H]1CSCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934304893 654843595 /nfs/dbraw/zinc/84/35/95/654843595.db2.gz UWLLKJWRPIMXES-JKSUJKDBSA-N 1 0 378.567 2.284 20 30 GEEDRO C=C(C)CNC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916121481 654889298 /nfs/dbraw/zinc/88/92/98/654889298.db2.gz KBAZNSYLQVQWGD-UHFFFAOYSA-N 1 0 377.583 2.070 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(cc3C#N)COCC4)CC2)CC1 ZINC001164617213 719033731 /nfs/dbraw/zinc/03/37/31/719033731.db2.gz KAFSCMKVNPNLRS-UHFFFAOYSA-N 1 0 398.507 2.270 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001164808550 720117301 /nfs/dbraw/zinc/11/73/01/720117301.db2.gz FNGOKAFEKXSIIF-AUUYWEPGSA-N 1 0 386.887 2.058 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001164808565 720117575 /nfs/dbraw/zinc/11/75/75/720117575.db2.gz FNGOKAFEKXSIIF-KUHUBIRLSA-N 1 0 386.887 2.058 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c1 ZINC001164744925 720813780 /nfs/dbraw/zinc/81/37/80/720813780.db2.gz JSMFHCBXLVYPED-XUVXKRRUSA-N 1 0 377.496 2.233 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886191 721378174 /nfs/dbraw/zinc/37/81/74/721378174.db2.gz DPLBDDRBZNAJDP-PXNSSMCTSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887691 721404306 /nfs/dbraw/zinc/40/43/06/721404306.db2.gz MJQDKWNNCWWJQL-ICSRJNTNSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889839 721418078 /nfs/dbraw/zinc/41/80/78/721418078.db2.gz RQEVOBHHEUFGNS-GCJKJVERSA-N 1 0 394.523 2.200 20 30 GEEDRO N#Cc1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164900019 721509214 /nfs/dbraw/zinc/50/92/14/721509214.db2.gz NCHUYEATGINXPZ-RDJZCZTQSA-N 1 0 378.411 2.311 20 30 GEEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4ccc(C#N)cc42)CC3)CC1 ZINC001164794456 721512212 /nfs/dbraw/zinc/51/22/12/721512212.db2.gz PYZTWAQLBFBQKB-UHFFFAOYSA-N 1 0 387.491 2.071 20 30 GEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907313 721531707 /nfs/dbraw/zinc/53/17/07/721531707.db2.gz MXSBXKRMSXTTCZ-NVXWUHKLSA-N 1 0 383.383 2.342 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906043 721553267 /nfs/dbraw/zinc/55/32/67/721553267.db2.gz IJVBAPDTKIAORW-MJGOQNOKSA-N 1 0 396.466 2.478 20 30 GEEDRO N#Cc1nc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974532 722105805 /nfs/dbraw/zinc/10/58/05/722105805.db2.gz AFWFNLOTBWXHQD-DOTOQJQBSA-N 1 0 384.871 2.124 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000152900700 531577163 /nfs/dbraw/zinc/57/71/63/531577163.db2.gz WPXWRPHZIKGLRU-CZUORRHYSA-N 1 0 398.326 2.426 20 30 GEEDRO CC[NH+]=C(NCc1nc(C)cs1)N1CCN(c2nc(CC)ns2)CC1 ZINC000153151261 531591809 /nfs/dbraw/zinc/59/18/09/531591809.db2.gz MKLTVIDFDZGFPS-UHFFFAOYSA-N 1 0 379.559 2.153 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000173273355 532000482 /nfs/dbraw/zinc/00/04/82/532000482.db2.gz MVYDOPVIGBTTIB-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000173271957 532001050 /nfs/dbraw/zinc/00/10/50/532001050.db2.gz WUFURZYHIWASDQ-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000173275747 532001210 /nfs/dbraw/zinc/00/12/10/532001210.db2.gz YRTURGNVYUAOME-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000126905518 532151822 /nfs/dbraw/zinc/15/18/22/532151822.db2.gz UIOKTTKTLUECJG-XJKSGUPXSA-N 1 0 379.302 2.108 20 30 GEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000180927433 532285481 /nfs/dbraw/zinc/28/54/81/532285481.db2.gz HGVVJRVDAMHRQU-MRXNPFEDSA-N 1 0 392.297 2.392 20 30 GEEDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181166273 532292353 /nfs/dbraw/zinc/29/23/53/532292353.db2.gz OGGGRGSIVBVVMB-UHFFFAOYSA-N 1 0 393.329 2.211 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000181074745 532290262 /nfs/dbraw/zinc/29/02/62/532290262.db2.gz PAPATKDDLYMFQS-INIZCTEOSA-N 1 0 396.281 2.473 20 30 GEEDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc(Br)c1C#N ZINC000425776169 532395312 /nfs/dbraw/zinc/39/53/12/532395312.db2.gz YKPGCEDZMRNQSN-NSHDSACASA-N 1 0 393.285 2.120 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000591324653 532407135 /nfs/dbraw/zinc/40/71/35/532407135.db2.gz HPWLHZSWTJASPI-AWEZNQCLSA-N 1 0 384.299 2.083 20 30 GEEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000591415715 532411915 /nfs/dbraw/zinc/41/19/15/532411915.db2.gz AYXLOPURWDKSBS-ZDUSSCGKSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+]1CCCC1 ZINC000592759417 532460344 /nfs/dbraw/zinc/46/03/44/532460344.db2.gz YSVAHHFLUJJWFQ-CYBMUJFWSA-N 1 0 391.313 2.357 20 30 GEEDRO CC[N@@H+]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592763285 532460917 /nfs/dbraw/zinc/46/09/17/532460917.db2.gz SFZVUVMQOUXXCZ-UHFFFAOYSA-N 1 0 391.313 2.311 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000520230639 532486808 /nfs/dbraw/zinc/48/68/08/532486808.db2.gz XKBBUHRMDIZWHG-MRXNPFEDSA-N 1 0 398.326 2.473 20 30 GEEDRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000593560336 532488680 /nfs/dbraw/zinc/48/86/80/532488680.db2.gz DPUFUYYAIJLSPD-HUUCEWRRSA-N 1 0 382.327 2.367 20 30 GEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593635431 532491026 /nfs/dbraw/zinc/49/10/26/532491026.db2.gz LISZWDVXMJMUAW-ZDUSSCGKSA-N 1 0 394.313 2.167 20 30 GEEDRO CN(C)C(=O)CCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000520424047 532493422 /nfs/dbraw/zinc/49/34/22/532493422.db2.gz XDSPRZAGPBGHGG-QGZVFWFLSA-N 1 0 393.329 2.500 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000521624902 532517708 /nfs/dbraw/zinc/51/77/08/532517708.db2.gz LIQIIOKSULRYIL-ZDUSSCGKSA-N 1 0 398.326 2.331 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000595075785 532541969 /nfs/dbraw/zinc/54/19/69/532541969.db2.gz YTZNDCZTUVRYSH-GFCCVEGCSA-N 1 0 393.285 2.248 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595090026 532543882 /nfs/dbraw/zinc/54/38/82/532543882.db2.gz BUAPMARSDLXTKA-GFCCVEGCSA-N 1 0 393.285 2.248 20 30 GEEDRO CN(Cc1ccc(Cl)c(F)c1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262440658 532594986 /nfs/dbraw/zinc/59/49/86/532594986.db2.gz UOWUQYZROUOFNZ-CYBMUJFWSA-N 1 0 387.908 2.454 20 30 GEEDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000375752661 532581368 /nfs/dbraw/zinc/58/13/68/532581368.db2.gz FMGGRYWBDOICCH-CQSZACIVSA-N 1 0 375.372 2.376 20 30 GEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435443010 532619019 /nfs/dbraw/zinc/61/90/19/532619019.db2.gz LOTKSPGLQFRTMV-UHFFFAOYSA-N 1 0 385.555 2.379 20 30 GEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCSC1 ZINC000435174301 532608600 /nfs/dbraw/zinc/60/86/00/532608600.db2.gz TZLLIZCREIVYEQ-AWEZNQCLSA-N 1 0 393.456 2.293 20 30 GEEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673753 532623599 /nfs/dbraw/zinc/62/35/99/532623599.db2.gz ZHOUQCIVLKYNAU-OLZOCXBDSA-N 1 0 398.301 2.077 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376915036 532635177 /nfs/dbraw/zinc/63/51/77/532635177.db2.gz CQDQXUSPJDZWEE-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000567861608 532667520 /nfs/dbraw/zinc/66/75/20/532667520.db2.gz HKGHBEHOTVQIFO-KGLIPLIRSA-N 1 0 398.326 2.331 20 30 GEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000298757522 532672431 /nfs/dbraw/zinc/67/24/31/532672431.db2.gz QJZDIKWWSGMDMJ-QWHCGFSZSA-N 1 0 395.301 2.185 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCOc2ccc(I)cc2)CC1 ZINC000600741003 532681462 /nfs/dbraw/zinc/68/14/62/532681462.db2.gz MBZCBYSAVHRMNE-ZDUSSCGKSA-N 1 0 386.233 2.314 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000600744339 532681486 /nfs/dbraw/zinc/68/14/86/532681486.db2.gz BMXMUOMUFFGTSZ-DOMZBBRYSA-N 1 0 385.277 2.384 20 30 GEEDRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000603641666 532697580 /nfs/dbraw/zinc/69/75/80/532697580.db2.gz LRGGWXBFGZDHJR-LLVKDONJSA-N 1 0 384.249 2.460 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000286439845 532747306 /nfs/dbraw/zinc/74/73/06/532747306.db2.gz HYAPEPGNAXJOLE-UHFFFAOYSA-N 1 0 381.567 2.112 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000410157155 532735853 /nfs/dbraw/zinc/73/58/53/532735853.db2.gz WSANOTQQHWYHGD-INIZCTEOSA-N 1 0 388.603 2.054 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000411374383 532759013 /nfs/dbraw/zinc/75/90/13/532759013.db2.gz LWJFFESAKQJBHQ-UHFFFAOYSA-N 1 0 396.285 2.117 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1Br ZINC000287311943 532790714 /nfs/dbraw/zinc/79/07/14/532790714.db2.gz DQYRVPVFNWUUBX-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329336906 532805649 /nfs/dbraw/zinc/80/56/49/532805649.db2.gz YEHGPRHFJDQJKM-LBPRGKRZSA-N 1 0 391.269 2.352 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709609 532807509 /nfs/dbraw/zinc/80/75/09/532807509.db2.gz GEZOUHFRWDESSC-IUODEOHRSA-N 1 0 398.326 2.426 20 30 GEEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000288009547 532814538 /nfs/dbraw/zinc/81/45/38/532814538.db2.gz NAGLVVSHCDHKJQ-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288050490 532816091 /nfs/dbraw/zinc/81/60/91/532816091.db2.gz OWLKNAFCHMMJNH-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc(Br)c1OC ZINC000330484515 532819245 /nfs/dbraw/zinc/81/92/45/532819245.db2.gz XXRIUTTUQJGCEN-GFCCVEGCSA-N 1 0 386.290 2.017 20 30 GEEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(I)c1 ZINC000330611270 532822262 /nfs/dbraw/zinc/82/22/62/532822262.db2.gz PSZYPKFIPWGREY-AWEZNQCLSA-N 1 0 388.249 2.443 20 30 GEEDRO COc1ccc(Br)c(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000330813501 532827656 /nfs/dbraw/zinc/82/76/56/532827656.db2.gz CMTKYKOEERTOBL-AWEZNQCLSA-N 1 0 386.290 2.134 20 30 GEEDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000359976251 209208652 /nfs/dbraw/zinc/20/86/52/209208652.db2.gz GXIIVHZGOSLIGF-UHFFFAOYSA-N 1 0 380.448 2.461 20 30 GEEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328646194 209152978 /nfs/dbraw/zinc/15/29/78/209152978.db2.gz SMTBTRFEKPQDHE-IBGZPJMESA-N 1 0 395.507 2.372 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415428715 532844730 /nfs/dbraw/zinc/84/47/30/532844730.db2.gz AMWDIYQEMZLGIU-GFCCVEGCSA-N 1 0 384.274 2.052 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415571741 532850410 /nfs/dbraw/zinc/85/04/10/532850410.db2.gz UENVTWRGXHQEHE-VXGBXAGGSA-N 1 0 396.285 2.161 20 30 GEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000415682979 532853739 /nfs/dbraw/zinc/85/37/39/532853739.db2.gz YYOLRXCMUANDCW-AWEZNQCLSA-N 1 0 393.285 2.154 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000333649104 532871601 /nfs/dbraw/zinc/87/16/01/532871601.db2.gz JMKPUUFHOFFXGC-GDBMZVCRSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333735214 532872975 /nfs/dbraw/zinc/87/29/75/532872975.db2.gz WVGWBKUVPUNZEW-WMLDXEAASA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333735212 532872905 /nfs/dbraw/zinc/87/29/05/532872905.db2.gz WVGWBKUVPUNZEW-RHSMWYFYSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Br ZINC000333871305 532874805 /nfs/dbraw/zinc/87/48/05/532874805.db2.gz RXSHUAWVZXQLDE-XJKSGUPXSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000367887695 532928542 /nfs/dbraw/zinc/92/85/42/532928542.db2.gz TWOPQIZXMHKUSQ-ZIAGYGMSSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1=CC[N@H+](C)CC1 ZINC000294400732 532938578 /nfs/dbraw/zinc/93/85/78/532938578.db2.gz SLRNLIVMKCWHQA-LLVKDONJSA-N 1 0 391.269 2.026 20 30 GEEDRO CN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)S(=O)(=O)c1cccs1 ZINC000369842198 532941080 /nfs/dbraw/zinc/94/10/80/532941080.db2.gz SVXQMXOHEODKHV-FPCVCCKLSA-N 1 0 383.539 2.198 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21 ZINC000371505565 532948337 /nfs/dbraw/zinc/94/83/37/532948337.db2.gz KBQPDVOMOXGLIO-WFASDCNBSA-N 1 0 384.299 2.035 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000735425653 598391929 /nfs/dbraw/zinc/39/19/29/598391929.db2.gz DGEAHUKPMVOVQT-UHFFFAOYSA-N 1 0 383.500 2.437 20 30 GEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735419287 598764729 /nfs/dbraw/zinc/76/47/29/598764729.db2.gz RJGKEBUHNSJUPQ-MRXNPFEDSA-N 1 0 396.495 2.299 20 30 GEEDRO Clc1cnccc1N=NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822591114 606768722 /nfs/dbraw/zinc/76/87/22/606768722.db2.gz RCUBSHJZJYOWNI-UHFFFAOYSA-N 1 0 382.859 2.401 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(O)cc(Br)c2)c1C#N ZINC000530260702 649969192 /nfs/dbraw/zinc/96/91/92/649969192.db2.gz BGAIHZGGFOKMGK-UHFFFAOYSA-N 1 0 378.230 2.154 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000821586442 607114823 /nfs/dbraw/zinc/11/48/23/607114823.db2.gz YATPQJABGTUKCF-UHFFFAOYSA-N 1 0 392.423 2.215 20 30 GEEDRO C#Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823861527 607780732 /nfs/dbraw/zinc/78/07/32/607780732.db2.gz LTMYJWMIJPKZBT-UHFFFAOYSA-N 1 0 389.463 2.444 20 30 GEEDRO C[NH+](C)CCOc1ccc(CN=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825870703 608536008 /nfs/dbraw/zinc/53/60/08/608536008.db2.gz YXBINAWICBQVNL-UHFFFAOYSA-N 1 0 386.847 2.302 20 30 GEEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826387064 608585161 /nfs/dbraw/zinc/58/51/61/608585161.db2.gz FAOQVISNPULWBH-UHFFFAOYSA-N 1 0 399.462 2.098 20 30 GEEDRO N#Cc1c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccn12 ZINC000826383945 609458105 /nfs/dbraw/zinc/45/81/05/609458105.db2.gz YSJRTQIXQAMRGY-UHFFFAOYSA-N 1 0 399.462 2.098 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000449650982 650044889 /nfs/dbraw/zinc/04/48/89/650044889.db2.gz MPJSGCJHOMVZJG-HZPDHXFCSA-N 1 0 378.270 2.443 20 30 GEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449858842 650054359 /nfs/dbraw/zinc/05/43/59/650054359.db2.gz FTKBIGOPUCXRGY-TZMCWYRMSA-N 1 0 378.270 2.395 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449998827 650058071 /nfs/dbraw/zinc/05/80/71/650058071.db2.gz ZHNXPYLSJCFJDU-ZDUSSCGKSA-N 1 0 380.286 2.500 20 30 GEEDRO CS[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1[NH+](C)C ZINC000450266727 650063255 /nfs/dbraw/zinc/06/32/55/650063255.db2.gz STRBNXXGBMMATM-ZFWWWQNUSA-N 1 0 398.326 2.204 20 30 GEEDRO CC(C)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000451160908 650091598 /nfs/dbraw/zinc/09/15/98/650091598.db2.gz GPTRGKKJOQDDJX-INIZCTEOSA-N 1 0 380.286 2.498 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000452102221 650173656 /nfs/dbraw/zinc/17/36/56/650173656.db2.gz HKSVIVQDRPAFPL-LBPRGKRZSA-N 1 0 386.315 2.424 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000452109583 650174182 /nfs/dbraw/zinc/17/41/82/650174182.db2.gz YJTHTLDDIGFHMG-ZDUSSCGKSA-N 1 0 386.315 2.424 20 30 GEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453336113 650208300 /nfs/dbraw/zinc/20/83/00/650208300.db2.gz ARXSTUBPSMVWCZ-CMPLNLGQSA-N 1 0 377.304 2.074 20 30 GEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)c1cccs1 ZINC000453573181 650209297 /nfs/dbraw/zinc/20/92/97/650209297.db2.gz IBDRULSGSKHGHS-ZDUSSCGKSA-N 1 0 377.857 2.026 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517018905 650601730 /nfs/dbraw/zinc/60/17/30/650601730.db2.gz WIEXQKSVBWMNAW-AWEZNQCLSA-N 1 0 384.299 2.180 20 30 GEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000518180189 650602250 /nfs/dbraw/zinc/60/22/50/650602250.db2.gz QICDWYREVNEWSC-MRXNPFEDSA-N 1 0 378.567 2.190 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000486242242 650709816 /nfs/dbraw/zinc/70/98/16/650709816.db2.gz DWCGHOBHOJNWJP-KRWDZBQOSA-N 1 0 396.304 2.493 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC[C@@H]1CCCO1 ZINC000066244531 642902370 /nfs/dbraw/zinc/90/23/70/642902370.db2.gz XDYUCQJQFUDGMK-CJNGLKHVSA-N 1 0 381.318 2.359 20 30 GEEDRO C=C(Br)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000069117584 643019638 /nfs/dbraw/zinc/01/96/38/643019638.db2.gz XAEZXVCIYZIQMF-UHFFFAOYSA-N 1 0 381.318 2.012 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000106291065 643227545 /nfs/dbraw/zinc/22/75/45/643227545.db2.gz AABTVFMHXOPNQQ-UHFFFAOYSA-N 1 0 394.313 2.336 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000130776539 643850720 /nfs/dbraw/zinc/85/07/20/643850720.db2.gz HZRINKFRMIBBJR-UHFFFAOYSA-N 1 0 386.905 2.019 20 30 GEEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182613939 644965866 /nfs/dbraw/zinc/96/58/66/644965866.db2.gz NTMZYRJNLRKAAT-MRXNPFEDSA-N 1 0 382.302 2.351 20 30 GEEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N(C)Cc1ccc(Br)s1 ZINC000185501805 645046787 /nfs/dbraw/zinc/04/67/87/645046787.db2.gz WFCFEYSAPBHMED-UHFFFAOYSA-N 1 0 375.336 2.385 20 30 GEEDRO C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191771526 645182387 /nfs/dbraw/zinc/18/23/87/645182387.db2.gz OIRXEVUAGHHNHE-ZDUSSCGKSA-N 1 0 391.313 2.105 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000237830688 645444862 /nfs/dbraw/zinc/44/48/62/645444862.db2.gz QPPKQBYTCPCACI-OAHLLOKOSA-N 1 0 375.270 2.466 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246131912 645476831 /nfs/dbraw/zinc/47/68/31/645476831.db2.gz AZKICERPUXTRMW-IAQYHMDHSA-N 1 0 386.315 2.281 20 30 GEEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)N(C)Cc1cc(Br)cn1C ZINC000261691944 645593936 /nfs/dbraw/zinc/59/39/36/645593936.db2.gz FGGJFIULHSWFFD-UHFFFAOYSA-N 1 0 398.349 2.244 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261907796 645610765 /nfs/dbraw/zinc/61/07/65/645610765.db2.gz XPRMREYGQOQTGY-ZFWWWQNUSA-N 1 0 381.318 2.229 20 30 GEEDRO C[NH+]=C(NC[C@H](OC)c1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262011401 645615376 /nfs/dbraw/zinc/61/53/76/645615376.db2.gz WQNHXFQSYFIQSI-HNNXBMFYSA-N 1 0 387.933 2.112 20 30 GEEDRO C[NH+]=C(NCCSCc1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262007629 645615390 /nfs/dbraw/zinc/61/53/90/645615390.db2.gz VZCCJBIYKBREKD-UHFFFAOYSA-N 1 0 387.546 2.143 20 30 GEEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262246470 645621886 /nfs/dbraw/zinc/62/18/86/645621886.db2.gz OUDNRBSVWMYOEN-MELADBBJSA-N 1 0 384.571 2.419 20 30 GEEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CCSC3(CCCCC3)C2)C1 ZINC000262339420 645628255 /nfs/dbraw/zinc/62/82/55/645628255.db2.gz CHCSAWDAWBLVNG-HNNXBMFYSA-N 1 0 385.599 2.281 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000262647437 645641158 /nfs/dbraw/zinc/64/11/58/645641158.db2.gz JNBMKVJNSDXXFX-RISCZKNCSA-N 1 0 388.921 2.183 20 30 GEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000274640461 646326209 /nfs/dbraw/zinc/32/62/09/646326209.db2.gz FHPQCJMOTFIPLI-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275472337 646355028 /nfs/dbraw/zinc/35/50/28/646355028.db2.gz MBBBCCNXEOTGRK-GJZGRUSLSA-N 1 0 387.477 2.037 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275472349 646355124 /nfs/dbraw/zinc/35/51/24/646355124.db2.gz MBBBCCNXEOTGRK-LSDHHAIUSA-N 1 0 387.477 2.037 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000279100985 646577788 /nfs/dbraw/zinc/57/77/88/646577788.db2.gz OHYSFNKVGFLBTK-NSHDSACASA-N 1 0 384.299 2.083 20 30 GEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C ZINC000287533356 646891602 /nfs/dbraw/zinc/89/16/02/646891602.db2.gz SQZARYAYQAHDJY-AWEZNQCLSA-N 1 0 395.301 2.352 20 30 GEEDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000287760918 646895699 /nfs/dbraw/zinc/89/56/99/646895699.db2.gz MFVANXSZPALYFT-UHFFFAOYSA-N 1 0 393.329 2.211 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH+](C)C ZINC000330578692 647346233 /nfs/dbraw/zinc/34/62/33/647346233.db2.gz JNOBEMMJEZZOCG-CHWSQXEVSA-N 1 0 393.456 2.243 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000333386337 647470868 /nfs/dbraw/zinc/47/08/68/647470868.db2.gz WUNVDLIQGADZEF-ZDUSSCGKSA-N 1 0 398.326 2.427 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363496150 647597504 /nfs/dbraw/zinc/59/75/04/647597504.db2.gz NTPMIFWENXOQNP-ZDUSSCGKSA-N 1 0 382.306 2.291 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364922737 647649068 /nfs/dbraw/zinc/64/90/68/647649068.db2.gz YBICIZGRJBSXFW-GOEBONIOSA-N 1 0 379.844 2.466 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414707340 648100623 /nfs/dbraw/zinc/10/06/23/648100623.db2.gz HRPDPYRFWQJLEM-ZDUSSCGKSA-N 1 0 375.782 2.169 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416474725 648138942 /nfs/dbraw/zinc/13/89/42/648138942.db2.gz RYKNDFLXIHPPLN-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424122156 648614168 /nfs/dbraw/zinc/61/41/68/648614168.db2.gz GOKVZWFQAICBLN-SNVBAGLBSA-N 1 0 378.376 2.037 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)ccc(Br)c1C#N ZINC000425741196 648692858 /nfs/dbraw/zinc/69/28/58/648692858.db2.gz KXBMXFWTUMCGBM-UHFFFAOYSA-N 1 0 381.274 2.024 20 30 GEEDRO Cc1c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)ccc(Br)c1C#N ZINC000425758981 648696079 /nfs/dbraw/zinc/69/60/79/648696079.db2.gz SURRHCHYAISTFQ-UHFFFAOYSA-N 1 0 393.285 2.120 20 30 GEEDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc(Br)c1C#N ZINC000425756797 648696175 /nfs/dbraw/zinc/69/61/75/648696175.db2.gz MIGQCSPFIPXVGW-LBPRGKRZSA-N 1 0 393.285 2.120 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000443523451 648880784 /nfs/dbraw/zinc/88/07/84/648880784.db2.gz SSVUPNHWGCNVQV-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000550826905 651115407 /nfs/dbraw/zinc/11/54/07/651115407.db2.gz OSKYEIVHIRIGQR-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000556251637 651239145 /nfs/dbraw/zinc/23/91/45/651239145.db2.gz BLLHSVTZWZESLG-NSHDSACASA-N 1 0 381.274 2.104 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1cc(Cl)ccc1I ZINC000717665581 651475169 /nfs/dbraw/zinc/47/51/69/651475169.db2.gz JXMHRCQTSHRTRR-UHFFFAOYSA-N 1 0 376.625 2.239 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(I)cc1 ZINC000729809594 651579881 /nfs/dbraw/zinc/57/98/81/651579881.db2.gz MONORVQBVSEAME-CQSZACIVSA-N 1 0 399.228 2.311 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588573 651628011 /nfs/dbraw/zinc/62/80/11/651628011.db2.gz ABQWXVFWRRNSTP-WFASDCNBSA-N 1 0 379.810 2.188 20 30 GEEDRO Brc1ccc(CNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000731557866 651628025 /nfs/dbraw/zinc/62/80/25/651628025.db2.gz ADTJTGOMQUVTRE-UHFFFAOYSA-N 1 0 395.345 2.323 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588570 651628074 /nfs/dbraw/zinc/62/80/74/651628074.db2.gz ABQWXVFWRRNSTP-DOMZBBRYSA-N 1 0 379.810 2.188 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccccc2Br)CC1 ZINC000735939909 651803023 /nfs/dbraw/zinc/80/30/23/651803023.db2.gz LMJJYSYVNHVTFS-UHFFFAOYSA-N 1 0 379.254 2.276 20 30 GEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000571744678 651850876 /nfs/dbraw/zinc/85/08/76/651850876.db2.gz PEISNYDOPBVVTR-UHFFFAOYSA-N 1 0 393.285 2.059 20 30 GEEDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)OCCc2sccc21 ZINC000572714908 651907120 /nfs/dbraw/zinc/90/71/20/651907120.db2.gz BJOJQGSUIWIGTB-SFHVURJKSA-N 1 0 376.503 2.471 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000573871652 651984981 /nfs/dbraw/zinc/98/49/81/651984981.db2.gz HEQQFIYULRMKDF-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000576457309 652119824 /nfs/dbraw/zinc/11/98/24/652119824.db2.gz FVPZMXCYYDUTBA-YJBOKZPZSA-N 1 0 395.345 2.071 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000576457307 652119849 /nfs/dbraw/zinc/11/98/49/652119849.db2.gz FVPZMXCYYDUTBA-MAUKXSAKSA-N 1 0 395.345 2.071 20 30 GEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000576822170 652145889 /nfs/dbraw/zinc/14/58/89/652145889.db2.gz XSNOYNARNCMXML-MRXNPFEDSA-N 1 0 391.313 2.107 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000747404363 652162696 /nfs/dbraw/zinc/16/26/96/652162696.db2.gz JAXPODQXGFYYDM-UHFFFAOYSA-N 1 0 393.281 2.244 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000747816760 652179750 /nfs/dbraw/zinc/17/97/50/652179750.db2.gz VIRJXFJSQZGQMX-HNNXBMFYSA-N 1 0 385.291 2.195 20 30 GEEDRO C=CCC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 ZINC000657634897 652183101 /nfs/dbraw/zinc/18/31/01/652183101.db2.gz RQBHWQQGNLZITD-UHFFFAOYSA-N 1 0 389.315 2.311 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(I)ccc2O)CC1 ZINC000747975473 652186852 /nfs/dbraw/zinc/18/68/52/652186852.db2.gz VMDWFFOUKKGIKC-UHFFFAOYSA-N 1 0 384.217 2.281 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000623471777 652239537 /nfs/dbraw/zinc/23/95/37/652239537.db2.gz SAYKIDLVUWDSKH-CYBMUJFWSA-N 1 0 388.917 2.285 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659109242 652344434 /nfs/dbraw/zinc/34/44/34/652344434.db2.gz ZLXVVHSSBIGWJN-CYBMUJFWSA-N 1 0 398.301 2.442 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580174976 652369039 /nfs/dbraw/zinc/36/90/39/652369039.db2.gz YTPCGGNFPJAWKB-XJKSGUPXSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626894506 652408719 /nfs/dbraw/zinc/40/87/19/652408719.db2.gz ZLTVKQQQZYNWAV-WCQYABFASA-N 1 0 396.285 2.209 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492942 652452692 /nfs/dbraw/zinc/45/26/92/652452692.db2.gz VLILQUSTFWHRED-CZUORRHYSA-N 1 0 379.302 2.413 20 30 GEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000663310896 652493096 /nfs/dbraw/zinc/49/30/96/652493096.db2.gz YPTWEYXZYTUQEB-QMMMGPOBSA-N 1 0 384.273 2.234 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)c(OC)c2)c1C#N ZINC000600815709 652555032 /nfs/dbraw/zinc/55/50/32/652555032.db2.gz XNDJMSCEMAQWOK-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO N#CCN1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000589311405 652565467 /nfs/dbraw/zinc/56/54/67/652565467.db2.gz CNWJXZYDACOIDT-UHFFFAOYSA-N 1 0 375.274 2.107 20 30 GEEDRO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150962 652589304 /nfs/dbraw/zinc/58/93/04/652589304.db2.gz KYOKEWJFJIXWNB-WFASDCNBSA-N 1 0 389.677 2.193 20 30 GEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593516012 652623510 /nfs/dbraw/zinc/62/35/10/652623510.db2.gz MBDBHKMWEBIZCF-INIZCTEOSA-N 1 0 382.302 2.336 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000594436159 652649387 /nfs/dbraw/zinc/64/93/87/652649387.db2.gz IUUVDEUVFYZCGM-NSHDSACASA-N 1 0 391.278 2.423 20 30 GEEDRO COC[C@@]1(CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC[NH2+]1 ZINC000595112148 652704890 /nfs/dbraw/zinc/70/48/90/652704890.db2.gz UDHFHBKILNGKIH-KRWDZBQOSA-N 1 0 379.507 2.128 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000598721085 652831724 /nfs/dbraw/zinc/83/17/24/652831724.db2.gz RWDQTCFEAQXZPP-OAHLLOKOSA-N 1 0 382.302 2.459 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000599356154 652863619 /nfs/dbraw/zinc/86/36/19/652863619.db2.gz ADPMATVLRWHIMT-IRXDYDNUSA-N 1 0 391.265 2.384 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357390 652863693 /nfs/dbraw/zinc/86/36/93/652863693.db2.gz QAGIDRFRZMQBRE-JKSUJKDBSA-N 1 0 383.286 2.143 20 30 GEEDRO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470174 652917484 /nfs/dbraw/zinc/91/74/84/652917484.db2.gz GXXMHVZPTCVFED-QMTHXVAHSA-N 1 0 381.267 2.437 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000767781174 652949826 /nfs/dbraw/zinc/94/98/26/652949826.db2.gz HBOAYIAGPIHCGH-UHFFFAOYSA-N 1 0 388.291 2.107 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601351727 653087956 /nfs/dbraw/zinc/08/79/56/653087956.db2.gz NJBMIGBURHHFCC-SMDDNHRTSA-N 1 0 384.299 2.083 20 30 GEEDRO CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=S)NCCC[NH+](C)C)C1 ZINC000772843775 653168844 /nfs/dbraw/zinc/16/88/44/653168844.db2.gz DLNHASWJXLKTBQ-LBPRGKRZSA-N 1 0 378.489 2.147 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602538118 653189671 /nfs/dbraw/zinc/18/96/71/653189671.db2.gz ICKVUXJWUHOWME-UHFFFAOYSA-N 1 0 378.523 2.378 20 30 GEEDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602858075 653210148 /nfs/dbraw/zinc/21/01/48/653210148.db2.gz YRJCOOZKTAGRPL-IIAWOOMASA-N 1 0 382.302 2.107 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000808426275 653229286 /nfs/dbraw/zinc/22/92/86/653229286.db2.gz ABXVVNOERZEWFV-CYBMUJFWSA-N 1 0 386.311 2.376 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000876686207 653442379 /nfs/dbraw/zinc/44/23/79/653442379.db2.gz SHHAKWGLSVISMO-BBRMVZONSA-N 1 0 384.307 2.412 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000876801882 653449279 /nfs/dbraw/zinc/44/92/79/653449279.db2.gz KBOHUTJUCKLEAB-FSPLSTOPSA-N 1 0 379.077 2.114 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000876966194 653456688 /nfs/dbraw/zinc/45/66/88/653456688.db2.gz QVZVFCSHWUFUAO-RYUDHWBXSA-N 1 0 375.650 2.249 20 30 GEEDRO N#CCCNC(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000815124925 653653142 /nfs/dbraw/zinc/65/31/42/653653142.db2.gz OMVLNOOCWVFFPQ-UHFFFAOYSA-N 1 0 398.276 2.299 20 30 GEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+]1CCCCC1 ZINC000815401518 653658443 /nfs/dbraw/zinc/65/84/43/653658443.db2.gz BNPMSGJWJZKWTR-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000861872451 653669579 /nfs/dbraw/zinc/66/95/79/653669579.db2.gz PNROGWOZQMNDII-UHFFFAOYSA-N 1 0 398.326 2.181 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000840951878 653703421 /nfs/dbraw/zinc/70/34/21/653703421.db2.gz KYJHUZPHOVHDJE-UHFFFAOYSA-N 1 0 385.873 2.323 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000840952069 653703444 /nfs/dbraw/zinc/70/34/44/653703444.db2.gz QKJAPHVVSHNVJW-UHFFFAOYSA-N 1 0 376.400 2.193 20 30 GEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sc2c1CCCS2 ZINC000841157641 653708433 /nfs/dbraw/zinc/70/84/33/653708433.db2.gz IPQZYBKPUTZZJH-GXSJLCMTSA-N 1 0 380.495 2.196 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000863563216 653715591 /nfs/dbraw/zinc/71/55/91/653715591.db2.gz OURHGVYDIPKQBD-DLBZAZTESA-N 1 0 391.265 2.384 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)CCOCC1 ZINC000863564552 653715809 /nfs/dbraw/zinc/71/58/09/653715809.db2.gz VKQMGXAOBKQMSS-HZPDHXFCSA-N 1 0 383.286 2.143 20 30 GEEDRO COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(F)cc1Br ZINC000865463418 653766071 /nfs/dbraw/zinc/76/60/71/653766071.db2.gz ZZBQSFUBXIWPTO-FOCLMDBBSA-N 1 0 398.232 2.213 20 30 GEEDRO C#C[C@H](NC(=O)N(CCOC)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000820617639 653778857 /nfs/dbraw/zinc/77/88/57/653778857.db2.gz SUPHQFRSRQJIQH-INIZCTEOSA-N 1 0 382.302 2.343 20 30 GEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000883125349 653829638 /nfs/dbraw/zinc/82/96/38/653829638.db2.gz GJVVXGDCWQODIC-MRXNPFEDSA-N 1 0 387.307 2.178 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)ccc1C(F)(F)F ZINC000883470703 653840935 /nfs/dbraw/zinc/84/09/35/653840935.db2.gz DVOCGAOIMDXWRG-UHFFFAOYSA-N 1 0 389.321 2.479 20 30 GEEDRO C#CC[NH+]1CCC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000895810571 653850941 /nfs/dbraw/zinc/85/09/41/653850941.db2.gz FVTGWNIRYWTRON-UHFFFAOYSA-N 1 0 393.207 2.078 20 30 GEEDRO Brc1n[nH]c(Br)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000793033485 653863137 /nfs/dbraw/zinc/86/31/37/653863137.db2.gz BSUKZLNDWUELQH-YUMQZZPRSA-N 1 0 390.083 2.129 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884951911 653897547 /nfs/dbraw/zinc/89/75/47/653897547.db2.gz JKZBEZJBDPYWHZ-KBPBESRZSA-N 1 0 384.299 2.226 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000885117460 653913399 /nfs/dbraw/zinc/91/33/99/653913399.db2.gz ZPUMJNRJRZIUDX-ROUUACIJSA-N 1 0 379.551 2.343 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000885117458 653913408 /nfs/dbraw/zinc/91/34/08/653913408.db2.gz ZPUMJNRJRZIUDX-QZTJIDSGSA-N 1 0 379.551 2.343 20 30 GEEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000795575556 653959702 /nfs/dbraw/zinc/95/97/02/653959702.db2.gz WRISJRKFOYITIN-SFHVURJKSA-N 1 0 377.941 2.284 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000796602663 654001121 /nfs/dbraw/zinc/00/11/21/654001121.db2.gz NNFICRWRUZKRFS-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cc(Cl)cc(Br)c1 ZINC000849116935 654005339 /nfs/dbraw/zinc/00/53/39/654005339.db2.gz VNOUZZGTWYGZJC-UHFFFAOYSA-N 1 0 389.725 2.100 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000886900547 654008407 /nfs/dbraw/zinc/00/84/07/654008407.db2.gz ATWLDZSYEHPYPC-MRXNPFEDSA-N 1 0 398.326 2.475 20 30 GEEDRO C#CCC[N@@H+](CCOC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000827826342 654009594 /nfs/dbraw/zinc/00/95/94/654009594.db2.gz DJRDYFXJHWHYOD-AWEZNQCLSA-N 1 0 397.313 2.434 20 30 GEEDRO C#CCNC(=O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000849327585 654013047 /nfs/dbraw/zinc/01/30/47/654013047.db2.gz OUKUQFYEYRAFAA-UHFFFAOYSA-N 1 0 376.625 2.174 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000887007140 654014378 /nfs/dbraw/zinc/01/43/78/654014378.db2.gz DSXWUTSAFJNCSG-ZDUSSCGKSA-N 1 0 396.285 2.163 20 30 GEEDRO CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[NH2+]C1 ZINC000868268209 654026458 /nfs/dbraw/zinc/02/64/58/654026458.db2.gz AFTMMJLMWRYMOV-ZDUSSCGKSA-N 1 0 393.285 2.154 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000830162110 654102424 /nfs/dbraw/zinc/10/24/24/654102424.db2.gz FJOAGRAJUAAJCT-UHFFFAOYSA-N 1 0 389.249 2.383 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000830169456 654103523 /nfs/dbraw/zinc/10/35/23/654103523.db2.gz XRQHHPYRUWZWRS-OAHLLOKOSA-N 1 0 390.281 2.089 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(C#N)c1 ZINC000901728135 654144011 /nfs/dbraw/zinc/14/40/11/654144011.db2.gz LECHBMVQCMOHEF-FZMZJTMJSA-N 1 0 388.269 2.449 20 30 GEEDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000852061889 654215934 /nfs/dbraw/zinc/21/59/34/654215934.db2.gz SYWZRAOOPLLYTG-CQSZACIVSA-N 1 0 388.430 2.030 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000903494452 654241424 /nfs/dbraw/zinc/24/14/24/654241424.db2.gz IISSQRXODXXITJ-PSOPSSQASA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1Br ZINC000903532285 654250709 /nfs/dbraw/zinc/25/07/09/654250709.db2.gz VNGXKBQDTYCOKF-DOMZBBRYSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000903530706 654250808 /nfs/dbraw/zinc/25/08/08/654250808.db2.gz IVMUTBIOLVGDME-SWLSCSKDSA-N 1 0 384.299 2.213 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@H]1C(F)(F)F ZINC000903572213 654258337 /nfs/dbraw/zinc/25/83/37/654258337.db2.gz ILWYZYVJLRWDGD-RNFRBKRXSA-N 1 0 396.284 2.234 20 30 GEEDRO [NH3+][C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578009 654260510 /nfs/dbraw/zinc/26/05/10/654260510.db2.gz AOOISTUDHGPGEN-WHFBIAKZSA-N 1 0 398.275 2.282 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000852867720 654264391 /nfs/dbraw/zinc/26/43/91/654264391.db2.gz ACTPGMCHXXEOBC-OAHLLOKOSA-N 1 0 376.298 2.147 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852865409 654264531 /nfs/dbraw/zinc/26/45/31/654264531.db2.gz BRABCSZDZWQTIV-MRXNPFEDSA-N 1 0 376.298 2.147 20 30 GEEDRO C=CCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000853252210 654289484 /nfs/dbraw/zinc/28/94/84/654289484.db2.gz KQDCGQFLJOYMER-CQSZACIVSA-N 1 0 380.539 2.324 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cscc2Br)CC1 ZINC000872006407 654310352 /nfs/dbraw/zinc/31/03/52/654310352.db2.gz FTBKISGCCVYNQI-UHFFFAOYSA-N 1 0 377.329 2.277 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000804695142 654317608 /nfs/dbraw/zinc/31/76/08/654317608.db2.gz AKSJRDFLTQIKAQ-ZDUSSCGKSA-N 1 0 382.302 2.257 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CCOCC1 ZINC000872234605 654318329 /nfs/dbraw/zinc/31/83/29/654318329.db2.gz DHLYJQCTGZJHCF-UONOGXRCSA-N 1 0 395.297 2.414 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488205 654329240 /nfs/dbraw/zinc/32/92/40/654329240.db2.gz AIVOWNQDIGGSTK-IAQYHMDHSA-N 1 0 390.237 2.462 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494404 654329852 /nfs/dbraw/zinc/32/98/52/654329852.db2.gz MTRBMWCYBHTLSD-APPZFPTMSA-N 1 0 383.296 2.475 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494944 654330298 /nfs/dbraw/zinc/33/02/98/654330298.db2.gz REVFCFLPIZPEPL-BXUZGUMPSA-N 1 0 389.253 2.264 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)s1 ZINC000922025978 654356881 /nfs/dbraw/zinc/35/68/81/654356881.db2.gz KIZCELXUDOMZGF-UHFFFAOYSA-N 1 0 377.329 2.229 20 30 GEEDRO C[C@@]1(NC(=O)COc2ccc(C#N)c(Br)c2)C[NH+]2CCC1CC2 ZINC000892766179 654363426 /nfs/dbraw/zinc/36/34/26/654363426.db2.gz LCFXQBBLTTYHJC-QGZVFWFLSA-N 1 0 378.270 2.300 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905554018 654365546 /nfs/dbraw/zinc/36/55/46/654365546.db2.gz CYOLKKXKBOAWOK-ZFWWWQNUSA-N 1 0 376.400 2.422 20 30 GEEDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922106768 654367700 /nfs/dbraw/zinc/36/77/00/654367700.db2.gz TULSKMNUAIMPGU-DOMZBBRYSA-N 1 0 386.315 2.128 20 30 GEEDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922106769 654367850 /nfs/dbraw/zinc/36/78/50/654367850.db2.gz TULSKMNUAIMPGU-IUODEOHRSA-N 1 0 386.315 2.128 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663564 654387237 /nfs/dbraw/zinc/38/72/37/654387237.db2.gz KJUOYOPQBMSRQS-GJZGRUSLSA-N 1 0 384.299 2.178 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000906845144 654478735 /nfs/dbraw/zinc/47/87/35/654478735.db2.gz HCQILFGGVXJURZ-STQMWFEESA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000906976387 654494988 /nfs/dbraw/zinc/49/49/88/654494988.db2.gz DTAWQKXGBAGTNQ-CYBMUJFWSA-N 1 0 398.326 2.427 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979816 654495316 /nfs/dbraw/zinc/49/53/16/654495316.db2.gz CBZBQDVDDPVXCV-XHDPSFHLSA-N 1 0 386.315 2.281 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)C2)s1 ZINC000907344224 654533836 /nfs/dbraw/zinc/53/38/36/654533836.db2.gz DXZFUXSGZZAFSW-GDBMZVCRSA-N 1 0 384.571 2.289 20 30 GEEDRO O=C(NCC[NH2+][C@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407901 654544063 /nfs/dbraw/zinc/54/40/63/654544063.db2.gz HHKXBGAWVGUQSF-CMTMBAJVSA-N 1 0 391.269 2.338 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000928653696 654654370 /nfs/dbraw/zinc/65/43/70/654654370.db2.gz XCFYMPBUQZOHTL-UHFFFAOYSA-N 1 0 375.270 2.233 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000928655944 654654822 /nfs/dbraw/zinc/65/48/22/654654822.db2.gz FBCCQKQELOZXGK-UHFFFAOYSA-N 1 0 384.205 2.324 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000929309213 654678977 /nfs/dbraw/zinc/67/89/77/654678977.db2.gz SMOJQKBNEXZVKY-UHFFFAOYSA-N 1 0 394.269 2.439 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)nc1C ZINC000912215234 654746368 /nfs/dbraw/zinc/74/63/68/654746368.db2.gz URSOFNIFTUTOFH-HWPZZCPQSA-N 1 0 376.511 2.265 20 30 GEEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000933437567 654813166 /nfs/dbraw/zinc/81/31/66/654813166.db2.gz PFUNFMDVFDEBPR-ZWKOTPCHSA-N 1 0 394.313 2.141 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2 ZINC001164689327 719752525 /nfs/dbraw/zinc/75/25/25/719752525.db2.gz BBGPNGNFBPXGHE-UHFFFAOYSA-N 1 0 384.600 2.491 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001164808568 720117345 /nfs/dbraw/zinc/11/73/45/720117345.db2.gz FNGOKAFEKXSIIF-LIRRHRJNSA-N 1 0 386.887 2.058 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1C#N)CCC2 ZINC001164812860 720232381 /nfs/dbraw/zinc/23/23/81/720232381.db2.gz JHMIETWXDUUNMD-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO Cc1cc(C#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164823794 720311807 /nfs/dbraw/zinc/31/18/07/720311807.db2.gz PXBOPPUUZNNYQL-PMACEKPBSA-N 1 0 381.524 2.482 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001164830784 720335478 /nfs/dbraw/zinc/33/54/78/720335478.db2.gz PXTRLVWAWSOMTL-PMACEKPBSA-N 1 0 392.507 2.346 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826520 720342338 /nfs/dbraw/zinc/34/23/38/720342338.db2.gz KFHJECXCCUOZKS-VQTJNVASSA-N 1 0 381.524 2.368 20 30 GEEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748964 720802397 /nfs/dbraw/zinc/80/23/97/720802397.db2.gz SDJMFALRUMDAKR-RTBURBONSA-N 1 0 393.567 2.442 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c1 ZINC001164744923 720813980 /nfs/dbraw/zinc/81/39/80/720813980.db2.gz JSMFHCBXLVYPED-SLFFLAALSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C#N ZINC001164742095 720824023 /nfs/dbraw/zinc/82/40/23/720824023.db2.gz PTGXZYMRBBLANU-MISYRCLQSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748654 720855022 /nfs/dbraw/zinc/85/50/22/720855022.db2.gz LGZKLNFJVZSSAH-XUVXKRRUSA-N 1 0 377.496 2.233 20 30 GEEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774631 721301346 /nfs/dbraw/zinc/30/13/46/721301346.db2.gz FEZMZONYMSZOCO-MRXNPFEDSA-N 1 0 383.496 2.348 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890943 721395392 /nfs/dbraw/zinc/39/53/92/721395392.db2.gz PKOZYZLWEFGKJU-UZLBHIALSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890795 721427204 /nfs/dbraw/zinc/42/72/04/721427204.db2.gz FUQXMSUXEQEFEB-UYAOXDASSA-N 1 0 389.931 2.372 20 30 GEEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1CC#N ZINC001164889499 721438760 /nfs/dbraw/zinc/43/87/60/721438760.db2.gz BEPDDTKVIOIEAX-IFMALSPDSA-N 1 0 383.540 2.222 20 30 GEEDRO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1C#N ZINC001164795621 721526758 /nfs/dbraw/zinc/52/67/58/721526758.db2.gz PHPYPZBRTQKYOT-LVCYWYKZSA-N 1 0 379.464 2.225 20 30 GEEDRO COc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1C#N ZINC001164795622 721526904 /nfs/dbraw/zinc/52/69/04/721526904.db2.gz PHPYPZBRTQKYOT-WFXMLNOXSA-N 1 0 379.464 2.225 20 30 GEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902814 721528502 /nfs/dbraw/zinc/52/85/02/721528502.db2.gz BHWYGVBRBHNQQX-AEFFLSMTSA-N 1 0 383.383 2.342 20 30 GEEDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165026576 721805920 /nfs/dbraw/zinc/80/59/20/721805920.db2.gz RGYJHPMZSHTYAN-ZYSHUDEJSA-N 1 0 378.480 2.489 20 30 GEEDRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cnc1C#N ZINC001164962218 722058761 /nfs/dbraw/zinc/05/87/61/722058761.db2.gz QFHIQFGBYUGQSP-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO N#Cc1nc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974540 722105563 /nfs/dbraw/zinc/10/55/63/722105563.db2.gz AFWFNLOTBWXHQD-RDJZCZTQSA-N 1 0 384.871 2.124 20 30 GEEDRO C=CCOC[C@@H]1CCC[C@@]12CN(c1cccc(N3CC[NH+](C)CC3)n1)CCO2 ZINC001164974620 722168547 /nfs/dbraw/zinc/16/85/47/722168547.db2.gz GKYKACFOLHHINW-SIKLNZKXSA-N 1 0 386.540 2.412 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000155239126 531669062 /nfs/dbraw/zinc/66/90/62/531669062.db2.gz COTIKVHMZBYOID-RISCZKNCSA-N 1 0 386.315 2.424 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000173276355 532000460 /nfs/dbraw/zinc/00/04/60/532000460.db2.gz OZUHICKQWWBPFH-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC[NH+](C)C ZINC000122830053 532083794 /nfs/dbraw/zinc/08/37/94/532083794.db2.gz XJFOKZJEUNIULL-UHFFFAOYSA-N 1 0 384.274 2.166 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(Br)cc1 ZINC000125446834 532136315 /nfs/dbraw/zinc/13/63/15/532136315.db2.gz SYUUUUNMJFOMOC-UHFFFAOYSA-N 1 0 391.273 2.129 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCCS1 ZINC000132364088 532213460 /nfs/dbraw/zinc/21/34/60/532213460.db2.gz STIFGWPYQRFYLT-QGZVFWFLSA-N 1 0 378.567 2.480 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179669013 532241186 /nfs/dbraw/zinc/24/11/86/532241186.db2.gz ZFLWBEBDZHIWKQ-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517621 532300326 /nfs/dbraw/zinc/30/03/26/532300326.db2.gz UYQGYPSKKQGTMW-UHFFFAOYSA-N 1 0 383.290 2.353 20 30 GEEDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061518 532308712 /nfs/dbraw/zinc/30/87/12/532308712.db2.gz JMHXRFQQTJOCSY-ZFWWWQNUSA-N 1 0 380.491 2.136 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000181074724 532289814 /nfs/dbraw/zinc/28/98/14/532289814.db2.gz PAPATKDDLYMFQS-MRXNPFEDSA-N 1 0 396.281 2.473 20 30 GEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294529620 532365171 /nfs/dbraw/zinc/36/51/71/532365171.db2.gz ZWDSOZWNRQEVFZ-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191783147 532366383 /nfs/dbraw/zinc/36/63/83/532366383.db2.gz BCDYHZLNIVBLKC-UHFFFAOYSA-N 1 0 393.329 2.307 20 30 GEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747618 532458779 /nfs/dbraw/zinc/45/87/79/532458779.db2.gz HFVMWSFQVPZTGQ-UHFFFAOYSA-N 1 0 393.329 2.461 20 30 GEEDRO C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[N@H+](C)C1CC1 ZINC000592756470 532460104 /nfs/dbraw/zinc/46/01/04/532460104.db2.gz AOOWENSZGIOQRF-LBPRGKRZSA-N 1 0 391.313 2.356 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763416 532460974 /nfs/dbraw/zinc/46/09/74/532460974.db2.gz WYHZUYVSKOZHLT-ZDUSSCGKSA-N 1 0 391.313 2.215 20 30 GEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593465367 532484022 /nfs/dbraw/zinc/48/40/22/532484022.db2.gz QTZPNGRIFCTOIM-AWEZNQCLSA-N 1 0 393.329 2.005 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562840919 532486236 /nfs/dbraw/zinc/48/62/36/532486236.db2.gz IZWBCRULAREICT-NVXWUHKLSA-N 1 0 383.901 2.119 20 30 GEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000593656527 532493218 /nfs/dbraw/zinc/49/32/18/532493218.db2.gz FTWPSOQBUZVSSM-UHFFFAOYSA-N 1 0 395.301 2.353 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000296463241 532523259 /nfs/dbraw/zinc/52/32/59/532523259.db2.gz WBHNFKGDMYLKAE-UHFFFAOYSA-N 1 0 398.301 2.221 20 30 GEEDRO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000245909077 532525571 /nfs/dbraw/zinc/52/55/71/532525571.db2.gz UWNBIBIDRNFKRS-HZPDHXFCSA-N 1 0 378.567 2.284 20 30 GEEDRO N#Cc1nc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)sc1Cl ZINC000596076753 532585592 /nfs/dbraw/zinc/58/55/92/532585592.db2.gz CSDXGJQBUSPXDX-UHFFFAOYSA-N 1 0 381.933 2.487 20 30 GEEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H](O)c1cnn(C)c1 ZINC000262416409 532592862 /nfs/dbraw/zinc/59/28/62/532592862.db2.gz PZVPSLHIGLMAGM-ZDUSSCGKSA-N 1 0 378.889 2.082 20 30 GEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCSC1 ZINC000435174302 532609606 /nfs/dbraw/zinc/60/96/06/532609606.db2.gz TZLLIZCREIVYEQ-CQSZACIVSA-N 1 0 393.456 2.293 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000285003658 532639164 /nfs/dbraw/zinc/63/91/64/532639164.db2.gz MDZJTWONNOGNIB-UHFFFAOYSA-N 1 0 384.307 2.419 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572711 532665948 /nfs/dbraw/zinc/66/59/48/532665948.db2.gz GLBYSNAEACACBL-SFHVURJKSA-N 1 0 394.313 2.021 20 30 GEEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723299 532679686 /nfs/dbraw/zinc/67/96/86/532679686.db2.gz CAADOAFSSIYIHO-HNNXBMFYSA-N 1 0 394.313 2.442 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000600721171 532680386 /nfs/dbraw/zinc/68/03/86/532680386.db2.gz AXQGSSCBRXBLTL-HNNXBMFYSA-N 1 0 380.286 2.213 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2CC[NH+](C)CC2)nc1C ZINC000266122271 532703541 /nfs/dbraw/zinc/70/35/41/532703541.db2.gz MTIFIWVGXNNADC-UHFFFAOYSA-N 1 0 378.527 2.465 20 30 GEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000540780269 532744387 /nfs/dbraw/zinc/74/43/87/532744387.db2.gz VLKIIFHREDFTEQ-CYBMUJFWSA-N 1 0 386.233 2.397 20 30 GEEDRO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)C1=CC[N@H+](C)CC1 ZINC000450755487 532759690 /nfs/dbraw/zinc/75/96/90/532759690.db2.gz JMDZDBNYZVFJKC-GFCCVEGCSA-N 1 0 378.270 2.466 20 30 GEEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000328679598 532794779 /nfs/dbraw/zinc/79/47/79/532794779.db2.gz NBNPFVWIHMJIGG-IUODEOHRSA-N 1 0 386.949 2.358 20 30 GEEDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329681708 532810081 /nfs/dbraw/zinc/81/00/81/532810081.db2.gz SAXJVLCWSNJDQA-ITNZAGEZSA-N 1 0 387.615 2.493 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819126 532810355 /nfs/dbraw/zinc/81/03/55/532810355.db2.gz PILXISMQTIJOAG-XHDPSFHLSA-N 1 0 393.285 2.058 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329821636 532812363 /nfs/dbraw/zinc/81/23/63/532812363.db2.gz GVICDVXMELJYSX-OCCSQVGLSA-N 1 0 383.539 2.320 20 30 GEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288027188 532815526 /nfs/dbraw/zinc/81/55/26/532815526.db2.gz SEAYHXMDZNVPAB-UHFFFAOYSA-N 1 0 395.301 2.450 20 30 GEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000330248427 532816473 /nfs/dbraw/zinc/81/64/73/532816473.db2.gz ZIDJLAKUMAMUBH-LLVKDONJSA-N 1 0 393.285 2.253 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C[NH+]1CCCC1 ZINC000331197766 532835689 /nfs/dbraw/zinc/83/56/89/532835689.db2.gz OETDRXZOJJEXDZ-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414959440 532835930 /nfs/dbraw/zinc/83/59/30/532835930.db2.gz FMUHMABKPFHPBA-CQSZACIVSA-N 1 0 384.318 2.016 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1Br ZINC000415323322 532841145 /nfs/dbraw/zinc/84/11/45/532841145.db2.gz ZRFSBHUXSRICHP-UHFFFAOYSA-N 1 0 393.285 2.427 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000332096280 532849147 /nfs/dbraw/zinc/84/91/47/532849147.db2.gz XIZGQWJITUDCMC-GJZGRUSLSA-N 1 0 385.942 2.412 20 30 GEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1C#N ZINC000415843061 532860359 /nfs/dbraw/zinc/86/03/59/532860359.db2.gz RZMBXRDVAZHADW-JTQLQIEISA-N 1 0 376.404 2.252 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415864808 532861072 /nfs/dbraw/zinc/86/10/72/532861072.db2.gz IFNCLNIZTZWNGG-ZDUSSCGKSA-N 1 0 396.285 2.211 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187231 532904425 /nfs/dbraw/zinc/90/44/25/532904425.db2.gz ZZOGNDVJBFLMQV-NVXWUHKLSA-N 1 0 379.844 2.466 20 30 GEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292909328 532919758 /nfs/dbraw/zinc/91/97/58/532919758.db2.gz WTECFZIBPPHHQT-INIZCTEOSA-N 1 0 398.326 2.427 20 30 GEEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000367675759 532926444 /nfs/dbraw/zinc/92/64/44/532926444.db2.gz ZXCUWZQEVCPKEO-GFCCVEGCSA-N 1 0 386.315 2.426 20 30 GEEDRO C[N@@H+]1CC[C@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@H]1c1cccs1 ZINC000367732456 532926818 /nfs/dbraw/zinc/92/68/18/532926818.db2.gz ZNHZVXNNGVACAF-DYVFJYSZSA-N 1 0 376.507 2.372 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000367743726 532927019 /nfs/dbraw/zinc/92/70/19/532927019.db2.gz ARUGHIOTLNKWCK-GFCCVEGCSA-N 1 0 384.299 2.180 20 30 GEEDRO CN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)S(=O)(=O)c1cccs1 ZINC000369842199 532941165 /nfs/dbraw/zinc/94/11/65/532941165.db2.gz SVXQMXOHEODKHV-JJXSEGSLSA-N 1 0 383.539 2.198 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000735418654 598731831 /nfs/dbraw/zinc/73/18/31/598731831.db2.gz HXIQQWRRXYLOFI-SFHVURJKSA-N 1 0 383.500 2.439 20 30 GEEDRO C#CC[N@H+](CC#CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819697587 599581877 /nfs/dbraw/zinc/58/18/77/599581877.db2.gz IIHTWJVYYBFLPT-UHFFFAOYSA-N 1 0 396.520 2.484 20 30 GEEDRO CC(=NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnccn1 ZINC000819772723 599663781 /nfs/dbraw/zinc/66/37/81/599663781.db2.gz JZUCNGBUKVOCLQ-UHFFFAOYSA-N 1 0 375.440 2.118 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821586102 606494188 /nfs/dbraw/zinc/49/41/88/606494188.db2.gz JTRXINULHSZHGU-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822826014 606896575 /nfs/dbraw/zinc/89/65/75/606896575.db2.gz RHBZCDBJQGPFIK-HXUWFJFHSA-N 1 0 390.447 2.315 20 30 GEEDRO C=C[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823882961 608021877 /nfs/dbraw/zinc/02/18/77/608021877.db2.gz HCRQEAUUHRTHGA-CYBMUJFWSA-N 1 0 380.456 2.040 20 30 GEEDRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000826168865 608354582 /nfs/dbraw/zinc/35/45/82/608354582.db2.gz AVVYKDSLHDJMPO-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448604415 650017745 /nfs/dbraw/zinc/01/77/45/650017745.db2.gz MWCINTBUTUVYOC-AWEZNQCLSA-N 1 0 380.286 2.407 20 30 GEEDRO C[NH+](C)CC1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449879544 650055037 /nfs/dbraw/zinc/05/50/37/650055037.db2.gz IBBNRABXZAHMLS-UHFFFAOYSA-N 1 0 380.286 2.500 20 30 GEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451170375 650092710 /nfs/dbraw/zinc/09/27/10/650092710.db2.gz DZHQJGLFKKWYOI-UHFFFAOYSA-N 1 0 387.933 2.385 20 30 GEEDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452086528 650172088 /nfs/dbraw/zinc/17/20/88/650172088.db2.gz LGYALZOKKOMOBT-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000456889010 650365490 /nfs/dbraw/zinc/36/54/90/650365490.db2.gz XOYFJADXCQMUND-UHFFFAOYSA-N 1 0 393.329 2.467 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518192435 650602441 /nfs/dbraw/zinc/60/24/41/650602441.db2.gz JPWAUGLMBFMDEI-INIZCTEOSA-N 1 0 379.302 2.114 20 30 GEEDRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000522171960 650623267 /nfs/dbraw/zinc/62/32/67/650623267.db2.gz YQVDHTZLIUNPOM-LLVKDONJSA-N 1 0 383.279 2.216 20 30 GEEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC(C)(CO)CO)cc1OC ZINC000093502727 643077792 /nfs/dbraw/zinc/07/77/92/643077792.db2.gz ZEOVRNQWRLYXFG-UHFFFAOYSA-N 1 0 388.302 2.445 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000103036348 643151018 /nfs/dbraw/zinc/15/10/18/643151018.db2.gz OEHCKHDZFJHUGI-QGZVFWFLSA-N 1 0 390.325 2.489 20 30 GEEDRO C[C@@H]1C[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)S1 ZINC000539368895 650843473 /nfs/dbraw/zinc/84/34/73/650843473.db2.gz WMFBRRHSVQEAMV-OAGGEKHMSA-N 1 0 378.567 2.283 20 30 GEEDRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000118320453 643509641 /nfs/dbraw/zinc/50/96/41/643509641.db2.gz IMJXXFKBKCMHNJ-UHFFFAOYSA-N 1 0 385.917 2.441 20 30 GEEDRO CCOCCCNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119555750 643557218 /nfs/dbraw/zinc/55/72/18/643557218.db2.gz SYZWKKQZLHNZTJ-UHFFFAOYSA-N 1 0 399.333 2.117 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2-n2cncn2)CC1 ZINC000127837315 643787367 /nfs/dbraw/zinc/78/73/67/643787367.db2.gz BUABTVKXUIOTFJ-UHFFFAOYSA-N 1 0 388.269 2.314 20 30 GEEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000128179629 643794838 /nfs/dbraw/zinc/79/48/38/643794838.db2.gz XAJBSTTXJYATHA-UPTPFMHGSA-N 1 0 376.503 2.096 20 30 GEEDRO CC[NH+]=C(NCCOc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614730 644151560 /nfs/dbraw/zinc/15/15/60/644151560.db2.gz SDIXJOZGEWEXRA-UHFFFAOYSA-N 1 0 387.933 2.193 20 30 GEEDRO C[NH+]=C(NC[C@H](C)Oc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158637263 644152985 /nfs/dbraw/zinc/15/29/85/644152985.db2.gz HYXRXQJSCWNXSZ-ZDUSSCGKSA-N 1 0 387.933 2.192 20 30 GEEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)cc1 ZINC000160478691 644202856 /nfs/dbraw/zinc/20/28/56/644202856.db2.gz OYAHQROCTIGEPZ-UHFFFAOYSA-N 1 0 382.511 2.240 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000195158991 645358437 /nfs/dbraw/zinc/35/84/37/645358437.db2.gz YGUWEOWBOPTRQL-UHFFFAOYSA-N 1 0 382.258 2.485 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000247652782 645515583 /nfs/dbraw/zinc/51/55/83/645515583.db2.gz WPXWRPHZIKGLRU-XJKSGUPXSA-N 1 0 398.326 2.426 20 30 GEEDRO [NH2+]=C(NCCc1cc(Cl)cc(Cl)c1)N1CCN(c2ncccn2)CC1 ZINC000261983113 645614921 /nfs/dbraw/zinc/61/49/21/645614921.db2.gz ITMIWRZLHZXAAQ-UHFFFAOYSA-N 1 0 379.295 2.463 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)ccc1OC)N[C@H]1CCN(C2CC2)C1 ZINC000262084183 645616534 /nfs/dbraw/zinc/61/65/34/645616534.db2.gz XVPZIVXKFWGYPR-AWEZNQCLSA-N 1 0 381.318 2.359 20 30 GEEDRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NC1CCCC1 ZINC000262094890 645617036 /nfs/dbraw/zinc/61/70/36/645617036.db2.gz HOSFMRLAFKQCGZ-UHFFFAOYSA-N 1 0 379.313 2.119 20 30 GEEDRO [NH2+]=C(NCCc1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 ZINC000262238980 645621949 /nfs/dbraw/zinc/62/19/49/645621949.db2.gz HQADPGGLWKSLCF-UHFFFAOYSA-N 1 0 379.295 2.463 20 30 GEEDRO CCn1c(CNC(=[NH2+])N2CCO[C@@H](C)C2)nc2cc(Br)ccc21 ZINC000262495682 645633765 /nfs/dbraw/zinc/63/37/65/645633765.db2.gz WHZHTESERINWGY-NSHDSACASA-N 1 0 380.290 2.354 20 30 GEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)s1 ZINC000262503424 645634236 /nfs/dbraw/zinc/63/42/36/645634236.db2.gz ZCPSJMXONSDVEE-AWEZNQCLSA-N 1 0 379.507 2.470 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1CCCO1 ZINC000262513928 645634864 /nfs/dbraw/zinc/63/48/64/645634864.db2.gz CELAEJKSOCVCNB-LBPRGKRZSA-N 1 0 384.274 2.064 20 30 GEEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCN(c2ncccn2)CC1 ZINC000262526111 645635827 /nfs/dbraw/zinc/63/58/27/645635827.db2.gz GLXFIGHLJSKOLG-UHFFFAOYSA-N 1 0 395.330 2.198 20 30 GEEDRO C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262786544 645644960 /nfs/dbraw/zinc/64/49/60/645644960.db2.gz MHGZSABENNMSKN-CQSZACIVSA-N 1 0 391.317 2.425 20 30 GEEDRO C[NH+]=C(NCc1cc(OC)ccc1Br)N[C@H]1CCN(C2CC2)C1 ZINC000262821744 645646185 /nfs/dbraw/zinc/64/61/85/645646185.db2.gz SQDWZGIKHSGGKT-ZDUSSCGKSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262871965 645647471 /nfs/dbraw/zinc/64/74/71/645647471.db2.gz DCBCICRDWQVTFF-HOCLYGCPSA-N 1 0 381.318 2.372 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCCN1Cc1ccc(I)cc1)N1CCC1 ZINC000263181434 645656404 /nfs/dbraw/zinc/65/64/04/645656404.db2.gz UGYSTFYUYKMFOO-OAHLLOKOSA-N 1 0 398.292 2.276 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271717710 646224212 /nfs/dbraw/zinc/22/42/12/646224212.db2.gz CMYBQNHDYRYRGA-BSEYFRJRSA-N 1 0 376.503 2.420 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000278602596 646529867 /nfs/dbraw/zinc/52/98/67/646529867.db2.gz BEDPBQYARYFOLZ-NHYWBVRUSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000278602606 646529879 /nfs/dbraw/zinc/52/98/79/646529879.db2.gz BEDPBQYARYFOLZ-XHDPSFHLSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000279039946 646573435 /nfs/dbraw/zinc/57/34/35/646573435.db2.gz JGSQVFZWNHSTQC-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000279100981 646577569 /nfs/dbraw/zinc/57/75/69/646577569.db2.gz OHYSFNKVGFLBTK-LLVKDONJSA-N 1 0 384.299 2.083 20 30 GEEDRO CCS(=O)(=O)NCCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303968849 647278262 /nfs/dbraw/zinc/27/82/62/647278262.db2.gz BBHDNMMEOQWGQV-SNVBAGLBSA-N 1 0 381.329 2.288 20 30 GEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000330382255 647333690 /nfs/dbraw/zinc/33/36/90/647333690.db2.gz WZJMWXYNXQWWEW-JKSUJKDBSA-N 1 0 384.571 2.447 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccncc1I ZINC000330827615 647353666 /nfs/dbraw/zinc/35/36/66/647353666.db2.gz SEABWWOIYJVRRT-NSHDSACASA-N 1 0 388.253 2.308 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331208856 647370729 /nfs/dbraw/zinc/37/07/29/647370729.db2.gz GGMJJLGPBZMPKN-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCSC[C@H]3CO)c2C#N)C1 ZINC000334028334 647488150 /nfs/dbraw/zinc/48/81/50/647488150.db2.gz JEHMXIXJKWAMRA-QWHCGFSZSA-N 1 0 379.551 2.483 20 30 GEEDRO N#CCSCCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378543442 647883492 /nfs/dbraw/zinc/88/34/92/647883492.db2.gz WPQCTNXESAMRRT-QGZVFWFLSA-N 1 0 379.551 2.490 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000411665467 648030074 /nfs/dbraw/zinc/03/00/74/648030074.db2.gz GIRXMGFGNQOQIK-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000411673706 648030428 /nfs/dbraw/zinc/03/04/28/648030428.db2.gz OHFHWDQHTLOCDR-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694187 648365742 /nfs/dbraw/zinc/36/57/42/648365742.db2.gz JAHIUYNVEJWLGC-ZDUSSCGKSA-N 1 0 393.285 2.250 20 30 GEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CCCC1 ZINC000419698553 648366463 /nfs/dbraw/zinc/36/64/63/648366463.db2.gz PTRQJGIHWMTSFR-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000420744098 648447887 /nfs/dbraw/zinc/44/78/87/648447887.db2.gz KNJFOORQQGETRE-UHFFFAOYSA-N 1 0 386.315 2.472 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000424097180 648612993 /nfs/dbraw/zinc/61/29/93/648612993.db2.gz DXRHAFLDQBNDTR-AWEZNQCLSA-N 1 0 383.279 2.299 20 30 GEEDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443479629 648878835 /nfs/dbraw/zinc/87/88/35/648878835.db2.gz ZYZPMKDUNUKXMJ-CQSZACIVSA-N 1 0 386.315 2.473 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000552778971 651158097 /nfs/dbraw/zinc/15/80/97/651158097.db2.gz AKMUJOBEFRANEW-UHFFFAOYSA-N 1 0 393.329 2.329 20 30 GEEDRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000556914077 651257064 /nfs/dbraw/zinc/25/70/64/651257064.db2.gz YHJDFHNSYADTRZ-STQMWFEESA-N 1 0 386.315 2.318 20 30 GEEDRO CN1CC[NH+](CC2CCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603279061 651475817 /nfs/dbraw/zinc/47/58/17/651475817.db2.gz CAODOUVRJPNKKT-UHFFFAOYSA-N 1 0 378.318 2.180 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603292833 651477496 /nfs/dbraw/zinc/47/74/96/651477496.db2.gz AJDAYIFUPXTUAA-UHFFFAOYSA-N 1 0 380.290 2.070 20 30 GEEDRO C[C@H]1CN(c2cc(C#N)c(Br)cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000603332469 651481733 /nfs/dbraw/zinc/48/17/33/651481733.db2.gz LIZICWKXWYWMJZ-XJKSGUPXSA-N 1 0 378.318 2.178 20 30 GEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)CC1 ZINC000603384631 651487722 /nfs/dbraw/zinc/48/77/22/651487722.db2.gz RZPOQDPTCRMQPX-UHFFFAOYSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1ccc(Br)c(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1 ZINC000563081996 651508762 /nfs/dbraw/zinc/50/87/62/651508762.db2.gz STDSTDXAVZZHJZ-GUYCJALGSA-N 1 0 391.269 2.260 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)ccc(Br)c1C#N ZINC000563530747 651530396 /nfs/dbraw/zinc/53/03/96/651530396.db2.gz CFHFFZWSNPHDBW-NSHDSACASA-N 1 0 393.285 2.168 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000565294504 651591533 /nfs/dbraw/zinc/59/15/33/651591533.db2.gz FUTUHXZKHJMWKH-IAGOWNOFSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000609201238 651613362 /nfs/dbraw/zinc/61/33/62/651613362.db2.gz URXTXLLGQXWOSR-UHFFFAOYSA-N 1 0 387.196 2.148 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cnn(Cc2ccccc2Cl)c1 ZINC000731930838 651638904 /nfs/dbraw/zinc/63/89/04/651638904.db2.gz OLKVLJICQLJLQA-UHFFFAOYSA-N 1 0 378.933 2.335 20 30 GEEDRO CC(C)([NH3+])c1noc(COc2cc(C#N)ccc2I)n1 ZINC000568084824 651650323 /nfs/dbraw/zinc/65/03/23/651650323.db2.gz VNCXHXPHHZGDKO-UHFFFAOYSA-N 1 0 384.177 2.319 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000734243298 651740192 /nfs/dbraw/zinc/74/01/92/651740192.db2.gz DOXQECYAHFYVNX-HNNXBMFYSA-N 1 0 383.901 2.133 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2nc(C(F)(F)F)cs2)nc1 ZINC000574869325 652048586 /nfs/dbraw/zinc/04/85/86/652048586.db2.gz SGHSNQPHBLICAU-UHFFFAOYSA-N 1 0 390.412 2.035 20 30 GEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1cc(Br)cc(C#N)c1)CC[NH2+]CC2 ZINC000576270066 652101200 /nfs/dbraw/zinc/10/12/00/652101200.db2.gz XNWIVGLCMCNEHL-LBPRGKRZSA-N 1 0 398.326 2.473 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000576388284 652112730 /nfs/dbraw/zinc/11/27/30/652112730.db2.gz LBJKRGKZNHHZGG-ZFWWWQNUSA-N 1 0 375.416 2.385 20 30 GEEDRO C[S@](=O)Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000576392606 652113106 /nfs/dbraw/zinc/11/31/06/652113106.db2.gz AZAWFQJLPBMFHT-DEOSSOPVSA-N 1 0 376.503 2.000 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000576980906 652160291 /nfs/dbraw/zinc/16/02/91/652160291.db2.gz YRBBAXMXPFESME-INIZCTEOSA-N 1 0 380.535 2.366 20 30 GEEDRO C=CCCNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000658389289 652263856 /nfs/dbraw/zinc/26/38/56/652263856.db2.gz MFGXKBMEPZDTAZ-UHFFFAOYSA-N 1 0 397.317 2.078 20 30 GEEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000749970852 652277187 /nfs/dbraw/zinc/27/71/87/652277187.db2.gz DPFVKWPJZJQWKS-CQSZACIVSA-N 1 0 380.539 2.286 20 30 GEEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000749970851 652277272 /nfs/dbraw/zinc/27/72/72/652277272.db2.gz DPFVKWPJZJQWKS-AWEZNQCLSA-N 1 0 380.539 2.286 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000578769244 652292358 /nfs/dbraw/zinc/29/23/58/652292358.db2.gz OHAKVZPHTISSSW-LNSITVRQSA-N 1 0 384.299 2.069 20 30 GEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625700887 652367992 /nfs/dbraw/zinc/36/79/92/652367992.db2.gz MZMRAUGBUAEOFI-ZDUSSCGKSA-N 1 0 385.917 2.427 20 30 GEEDRO C=CCN1CC[C@H]([NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796935 652371922 /nfs/dbraw/zinc/37/19/22/652371922.db2.gz NZAKJOPFOLULEO-FUHWJXTLSA-N 1 0 379.298 2.045 20 30 GEEDRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000582315317 652445145 /nfs/dbraw/zinc/44/51/45/652445145.db2.gz LOBOGDFXQKQRTM-UHFFFAOYSA-N 1 0 391.269 2.027 20 30 GEEDRO C=CC[C@@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000662551130 652467635 /nfs/dbraw/zinc/46/76/35/652467635.db2.gz JLVBQAWHGRCPBV-SFHVURJKSA-N 1 0 394.313 2.384 20 30 GEEDRO FC(F)(F)c1csc(N=NC2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000755905607 652481037 /nfs/dbraw/zinc/48/10/37/652481037.db2.gz SKCOWWZIMFMUTP-UHFFFAOYSA-N 1 0 377.436 2.358 20 30 GEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316839 652565608 /nfs/dbraw/zinc/56/56/08/652565608.db2.gz XAMVLEVJMMNKML-JTQLQIEISA-N 1 0 376.194 2.474 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000592389801 652592831 /nfs/dbraw/zinc/59/28/31/652592831.db2.gz QTDASAHLKDFTCQ-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO Cn1nc2cc(Br)ccc2c1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000592611059 652601109 /nfs/dbraw/zinc/60/11/09/652601109.db2.gz ABXILGGSJQPUMQ-UHFFFAOYSA-N 1 0 376.258 2.054 20 30 GEEDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000593724181 652633603 /nfs/dbraw/zinc/63/36/03/652633603.db2.gz YLCOMUGUAZNDGJ-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000595119350 652705987 /nfs/dbraw/zinc/70/59/87/652705987.db2.gz HETDOROJOMPLDN-LBPRGKRZSA-N 1 0 384.299 2.274 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723644 652831481 /nfs/dbraw/zinc/83/14/81/652831481.db2.gz JFIBQMWWWOUKDS-CABCVRRESA-N 1 0 380.286 2.445 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000599099786 652849238 /nfs/dbraw/zinc/84/92/38/652849238.db2.gz DIEUBKNFCQKJNL-ZYHUDNBSSA-N 1 0 381.807 2.359 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000599356152 652863759 /nfs/dbraw/zinc/86/37/59/652863759.db2.gz ADPMATVLRWHIMT-DLBZAZTESA-N 1 0 391.265 2.384 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000601396685 653090940 /nfs/dbraw/zinc/09/09/40/653090940.db2.gz GONYDWDIROCBSP-JKSUJKDBSA-N 1 0 383.514 2.206 20 30 GEEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000601428979 653094318 /nfs/dbraw/zinc/09/43/18/653094318.db2.gz QDBXXSGFZORENQ-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601972772 653134212 /nfs/dbraw/zinc/13/42/12/653134212.db2.gz PAGYTPXVQYWMAA-INIZCTEOSA-N 1 0 378.881 2.351 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807114263 653184617 /nfs/dbraw/zinc/18/46/17/653184617.db2.gz MNKNMPBFULDXMJ-CJNGLKHVSA-N 1 0 394.313 2.038 20 30 GEEDRO C[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854376 653209724 /nfs/dbraw/zinc/20/97/24/653209724.db2.gz OJZPTOQPHFJQRL-JKIFEVAISA-N 1 0 391.313 2.473 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000836282349 653342676 /nfs/dbraw/zinc/34/26/76/653342676.db2.gz LAGYOPGPGKDICX-BBWFWOEESA-N 1 0 392.297 2.286 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000836349313 653346112 /nfs/dbraw/zinc/34/61/12/653346112.db2.gz LDOYJHCXUPCGFE-WMLDXEAASA-N 1 0 393.329 2.059 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000836487828 653355565 /nfs/dbraw/zinc/35/55/65/653355565.db2.gz KMIFWNQSBHPQIE-KRWDZBQOSA-N 1 0 394.313 2.487 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000859249929 653428917 /nfs/dbraw/zinc/42/89/17/653428917.db2.gz BMQRCLMEUSFHEQ-UHFFFAOYSA-N 1 0 391.269 2.290 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)nc1C ZINC000876575254 653436529 /nfs/dbraw/zinc/43/65/29/653436529.db2.gz YRIYDETWXGUOQP-ZJUUUORDSA-N 1 0 382.490 2.071 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662962 653442019 /nfs/dbraw/zinc/44/20/19/653442019.db2.gz UNOYBNAIVFXCEX-CHWSQXEVSA-N 1 0 375.778 2.397 20 30 GEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(I)cc1Cl ZINC000876801379 653448356 /nfs/dbraw/zinc/44/83/56/653448356.db2.gz BSBUPMRQELXQPZ-UFBFGSQYSA-N 1 0 389.624 2.094 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000838623735 653626500 /nfs/dbraw/zinc/62/65/00/653626500.db2.gz KEXGDHULLSTIKQ-INIZCTEOSA-N 1 0 382.302 2.127 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878019048 653626596 /nfs/dbraw/zinc/62/65/96/653626596.db2.gz PIOOGCPQIKCTSH-INIZCTEOSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000815082357 653650593 /nfs/dbraw/zinc/65/05/93/653650593.db2.gz MOHGYYNEGFLIFH-UHFFFAOYSA-N 1 0 397.697 2.475 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn2c(Br)cnc2s1 ZINC000815112428 653652541 /nfs/dbraw/zinc/65/25/41/653652541.db2.gz QISOGQTVRXHDRQ-UHFFFAOYSA-N 1 0 384.303 2.466 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000815147668 653653383 /nfs/dbraw/zinc/65/33/83/653653383.db2.gz VFSLVDGORUDNKW-ZDUSSCGKSA-N 1 0 382.277 2.016 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000815861160 653666919 /nfs/dbraw/zinc/66/69/19/653666919.db2.gz TYCHWWHOIRWYPR-UHFFFAOYSA-N 1 0 377.535 2.175 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000818595635 653734394 /nfs/dbraw/zinc/73/43/94/653734394.db2.gz GQSJYPDXHBVLON-AWEZNQCLSA-N 1 0 382.291 2.418 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000818606382 653734835 /nfs/dbraw/zinc/73/48/35/653734835.db2.gz QPDGIIMGNPWKDO-CYBMUJFWSA-N 1 0 382.291 2.418 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000818606253 653734841 /nfs/dbraw/zinc/73/48/41/653734841.db2.gz HISTYHWHKDKVAO-CQSZACIVSA-N 1 0 382.291 2.418 20 30 GEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)COc2cccc(Br)c2)nc1 ZINC000818952387 653739259 /nfs/dbraw/zinc/73/92/59/653739259.db2.gz KAIRRUPSMBFDQC-HNNXBMFYSA-N 1 0 391.269 2.157 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000787618887 653741066 /nfs/dbraw/zinc/74/10/66/653741066.db2.gz ZQNFGOIUBVADAC-ZDUSSCGKSA-N 1 0 388.331 2.272 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cnn(Cc2ccccc2)c1Cl ZINC000789018077 653768019 /nfs/dbraw/zinc/76/80/19/653768019.db2.gz NDUYCBQMOXPNMW-UHFFFAOYSA-N 1 0 378.933 2.335 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789404486 653774246 /nfs/dbraw/zinc/77/42/46/653774246.db2.gz VZDHLKJHGYJVGE-ZDUSSCGKSA-N 1 0 382.258 2.035 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843110817 653779652 /nfs/dbraw/zinc/77/96/52/653779652.db2.gz BJEVKMHRGKDOKB-WMZOPIPTSA-N 1 0 391.265 2.384 20 30 GEEDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883102072 653827065 /nfs/dbraw/zinc/82/70/65/653827065.db2.gz FKIXDYBAJNIUMK-UHFFFAOYSA-N 1 0 384.278 2.196 20 30 GEEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Br)c(C#N)n2)CCCO1 ZINC000883105225 653827420 /nfs/dbraw/zinc/82/74/20/653827420.db2.gz BMSFRWIUFLTPIE-LBPRGKRZSA-N 1 0 396.289 2.338 20 30 GEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000883181820 653831774 /nfs/dbraw/zinc/83/17/74/653831774.db2.gz LPGFNGLCPQHKSO-CYBMUJFWSA-N 1 0 394.356 2.222 20 30 GEEDRO [NH3+]CCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000883445186 653840189 /nfs/dbraw/zinc/84/01/89/653840189.db2.gz LXAZMVMIECDRSF-UHFFFAOYSA-N 1 0 375.288 2.284 20 30 GEEDRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000883470831 653841041 /nfs/dbraw/zinc/84/10/41/653841041.db2.gz JISCAGHBRFYVAT-UHFFFAOYSA-N 1 0 386.264 2.284 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCOc1cccc(Br)c1)C2 ZINC000884100105 653863523 /nfs/dbraw/zinc/86/35/23/653863523.db2.gz JDXNVDJAJRIWPP-JZLYGMAVSA-N 1 0 378.270 2.083 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884956523 653898221 /nfs/dbraw/zinc/89/82/21/653898221.db2.gz ARESYHGAAITWQZ-UONOGXRCSA-N 1 0 384.299 2.226 20 30 GEEDRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000846676034 653906254 /nfs/dbraw/zinc/90/62/54/653906254.db2.gz BIBLWSMDSIGNEO-OCCSQVGLSA-N 1 0 375.885 2.154 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867298270 653910969 /nfs/dbraw/zinc/91/09/69/653910969.db2.gz VSSRUCOFRDKWHG-ZFWWWQNUSA-N 1 0 381.929 2.469 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886258136 653974611 /nfs/dbraw/zinc/97/46/11/653974611.db2.gz WWDQBHPNXULCSA-YOWGUQMCSA-N 1 0 386.286 2.386 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000827245820 653982881 /nfs/dbraw/zinc/98/28/81/653982881.db2.gz MPDPYJGNBDTZOX-CZUORRHYSA-N 1 0 378.270 2.252 20 30 GEEDRO C#CCN(C(=O)c1n[nH]c2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000886581318 653992625 /nfs/dbraw/zinc/99/26/25/653992625.db2.gz SHKHCISAQYDWSR-UHFFFAOYSA-N 1 0 375.270 2.495 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886900551 654008787 /nfs/dbraw/zinc/00/87/87/654008787.db2.gz AVHZXCDPVYLKTL-MRXNPFEDSA-N 1 0 398.326 2.475 20 30 GEEDRO C#CCC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCOCC1 ZINC000887124475 654020997 /nfs/dbraw/zinc/02/09/97/654020997.db2.gz FYZNNJDRLJGVQZ-UHFFFAOYSA-N 1 0 386.311 2.385 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877753 654045267 /nfs/dbraw/zinc/04/52/67/654045267.db2.gz BWXJAXKXCRDRQE-YCPHGPKFSA-N 1 0 387.933 2.275 20 30 GEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@]2(C)C1 ZINC000887925471 654058699 /nfs/dbraw/zinc/05/86/99/654058699.db2.gz LAAVMANKCZZAOU-DYVFJYSZSA-N 1 0 378.270 2.110 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000829582200 654073107 /nfs/dbraw/zinc/07/31/07/654073107.db2.gz JCSGBKFXFZCAQL-TZMCWYRMSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000830609368 654129596 /nfs/dbraw/zinc/12/95/96/654129596.db2.gz FIQJXPLXJNTZPV-CALCHBBNSA-N 1 0 379.298 2.414 20 30 GEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000917745789 654133174 /nfs/dbraw/zinc/13/31/74/654133174.db2.gz IIGXINZCEQQYAK-OAHLLOKOSA-N 1 0 383.539 2.025 20 30 GEEDRO Cc1nc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)cc1C#N ZINC000902421933 654177400 /nfs/dbraw/zinc/17/74/00/654177400.db2.gz YOROSOIKLRGPLY-UHFFFAOYSA-N 1 0 395.301 2.392 20 30 GEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101241 654218155 /nfs/dbraw/zinc/21/81/55/654218155.db2.gz OWFRWVXDRUZWGT-YVEFUNNKSA-N 1 0 385.917 2.309 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1Br ZINC000903532287 654250780 /nfs/dbraw/zinc/25/07/80/654250780.db2.gz VNGXKBQDTYCOKF-SWLSCSKDSA-N 1 0 384.299 2.213 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@H]1C(F)(F)F ZINC000903573103 654258699 /nfs/dbraw/zinc/25/86/99/654258699.db2.gz QOGOFPKHAHIBNV-VXNVDRBHSA-N 1 0 380.285 2.355 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580438 654261830 /nfs/dbraw/zinc/26/18/30/654261830.db2.gz UUINWHKVMMAIAF-ZIAGYGMSSA-N 1 0 375.416 2.388 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000852856264 654263737 /nfs/dbraw/zinc/26/37/37/654263737.db2.gz XHIAGDCMIQYYHH-UHFFFAOYSA-N 1 0 392.297 2.227 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000852906541 654267545 /nfs/dbraw/zinc/26/75/45/654267545.db2.gz HVIWZKISMJOYNG-UHFFFAOYSA-N 1 0 376.298 2.101 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)ccc1Br ZINC000903648985 654272767 /nfs/dbraw/zinc/27/27/67/654272767.db2.gz JBZYSCGYWFXAEW-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490281 654329798 /nfs/dbraw/zinc/32/97/98/654329798.db2.gz UBTKKWCWPBXYLD-SKDRFNHKSA-N 1 0 378.219 2.417 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000922024675 654356389 /nfs/dbraw/zinc/35/63/89/654356389.db2.gz HRAIJEMVCFCMOO-UHFFFAOYSA-N 1 0 384.914 2.063 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000922026102 654356801 /nfs/dbraw/zinc/35/68/01/654356801.db2.gz LPGVUFGRYYPSFQ-UHFFFAOYSA-N 1 0 376.400 2.303 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cscc1Br ZINC000922026660 654356850 /nfs/dbraw/zinc/35/68/50/654356850.db2.gz WASJLHIKXJCOJA-UHFFFAOYSA-N 1 0 377.329 2.229 20 30 GEEDRO [NH3+]C[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000892708208 654360942 /nfs/dbraw/zinc/36/09/42/654360942.db2.gz RHFZXRIKPIAREG-YUMQZZPRSA-N 1 0 387.271 2.327 20 30 GEEDRO Cc1cc(Br)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C#N)c1 ZINC000893106874 654382587 /nfs/dbraw/zinc/38/25/87/654382587.db2.gz VQDJRMVDAGKRJF-UHFFFAOYSA-N 1 0 394.313 2.293 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000922509396 654398647 /nfs/dbraw/zinc/39/86/47/654398647.db2.gz FHUAFOUZBIMZFV-OAHLLOKOSA-N 1 0 380.286 2.327 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1 ZINC000922620479 654404579 /nfs/dbraw/zinc/40/45/79/654404579.db2.gz SQGOCYROHYJDGQ-UHFFFAOYSA-N 1 0 381.270 2.459 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000906202426 654421074 /nfs/dbraw/zinc/42/10/74/654421074.db2.gz UOKUVGVPXSOJJG-UHFFFAOYSA-N 1 0 393.228 2.447 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000906845141 654478874 /nfs/dbraw/zinc/47/88/74/654478874.db2.gz HCQILFGGVXJURZ-CHWSQXEVSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000906904195 654485351 /nfs/dbraw/zinc/48/53/51/654485351.db2.gz KKJOOVNFTYVNHK-CYBMUJFWSA-N 1 0 384.299 2.180 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856859273 654497963 /nfs/dbraw/zinc/49/79/63/654497963.db2.gz GWUWRGCGMVPTCP-UHFFFAOYSA-N 1 0 394.313 2.312 20 30 GEEDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907254239 654524205 /nfs/dbraw/zinc/52/42/05/654524205.db2.gz QQVAYSOPIRRXMU-UHFFFAOYSA-N 1 0 386.315 2.472 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)s1 ZINC000924978558 654530121 /nfs/dbraw/zinc/53/01/21/654530121.db2.gz WZFUVZCHJWZURB-RYUDHWBXSA-N 1 0 375.947 2.020 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328956 654532637 /nfs/dbraw/zinc/53/26/37/654532637.db2.gz JXCXCQATTBKULF-CABCVRRESA-N 1 0 384.299 2.178 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000928658628 654654623 /nfs/dbraw/zinc/65/46/23/654654623.db2.gz WFJNURPQGHHEKE-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000931086086 654728670 /nfs/dbraw/zinc/72/86/70/654728670.db2.gz FGMNMGUEWCBJAQ-UHFFFAOYSA-N 1 0 394.269 2.455 20 30 GEEDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932555457 654782061 /nfs/dbraw/zinc/78/20/61/654782061.db2.gz FSQRCQKRENSRCY-NSHDSACASA-N 1 0 384.221 2.379 20 30 GEEDRO COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942412 654795043 /nfs/dbraw/zinc/79/50/43/654795043.db2.gz HDMNSXLZDHIBHD-ZXFLCMHBSA-N 1 0 385.251 2.013 20 30 GEEDRO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945287 654795480 /nfs/dbraw/zinc/79/54/80/654795480.db2.gz UYYVTRFUCODEEY-IVZWLZJFSA-N 1 0 384.311 2.402 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913516949 654797074 /nfs/dbraw/zinc/79/70/74/654797074.db2.gz MKVWRJIDFGOKHX-MRXNPFEDSA-N 1 0 382.291 2.279 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000933356269 654810035 /nfs/dbraw/zinc/81/00/35/654810035.db2.gz WELYFVYLYAZZSR-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438352 654813478 /nfs/dbraw/zinc/81/34/78/654813478.db2.gz VQUXNZJAZYRYQI-ROUUACIJSA-N 1 0 396.329 2.387 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497004 654851213 /nfs/dbraw/zinc/85/12/13/654851213.db2.gz GSNYIJGCNCHQRC-CXAGYDPISA-N 1 0 382.302 2.254 20 30 GEEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@H]2CC ZINC001164699226 719820929 /nfs/dbraw/zinc/82/09/29/719820929.db2.gz GXZSZYKNUOHNPI-PGRDOPGGSA-N 1 0 398.555 2.154 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCC3)CC1 ZINC001164821452 720338705 /nfs/dbraw/zinc/33/87/05/720338705.db2.gz AIQGYRJMKIQDTB-NHCUHLMSSA-N 1 0 393.535 2.353 20 30 GEEDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1CC#N ZINC001164829314 720342580 /nfs/dbraw/zinc/34/25/80/720342580.db2.gz RCOYLLBTUXENKT-UXHICEINSA-N 1 0 381.524 2.368 20 30 GEEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164840330 720717145 /nfs/dbraw/zinc/71/71/45/720717145.db2.gz PIHCMXXUIFSSMG-GOSISDBHSA-N 1 0 388.475 2.480 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@H]2C1 ZINC001164861215 720864997 /nfs/dbraw/zinc/86/49/97/720864997.db2.gz XPMKHNZBIVCHON-VQTJNVASSA-N 1 0 387.600 2.484 20 30 GEEDRO N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866037 721061689 /nfs/dbraw/zinc/06/16/89/721061689.db2.gz BXKFRCQTPDOGHL-OALUTQOASA-N 1 0 386.459 2.376 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890745 721434642 /nfs/dbraw/zinc/43/46/42/721434642.db2.gz DXOABBJFUNCWJL-NZQKXSOJSA-N 1 0 395.551 2.207 20 30 GEEDRO N#Cc1nc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N ZINC001164903840 721534124 /nfs/dbraw/zinc/53/41/24/721534124.db2.gz DGWYYRBOWSPNJI-DZGCQCFKSA-N 1 0 398.829 2.354 20 30 GEEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C#N)c(OC)n2)CC1 ZINC001165021418 721839610 /nfs/dbraw/zinc/83/96/10/721839610.db2.gz MUAOWPSTNYMLLC-UHFFFAOYSA-N 1 0 397.479 2.475 20 30 GEEDRO N#Cc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164968078 722077560 /nfs/dbraw/zinc/07/75/60/722077560.db2.gz PFWSSXOBKNAARA-CALCHBBNSA-N 1 0 379.420 2.314 20 30 GEEDRO N#Cc1cc(Cl)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984356 722106919 /nfs/dbraw/zinc/10/69/19/722106919.db2.gz SSBLVPGNVXVCKC-NVXWUHKLSA-N 1 0 384.871 2.124 20 30 GEEDRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164982587 722119735 /nfs/dbraw/zinc/11/97/35/722119735.db2.gz XHVIMLOTNGGMFG-FUHWJXTLSA-N 1 0 398.898 2.432 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000024375305 531602412 /nfs/dbraw/zinc/60/24/12/531602412.db2.gz JYQPMHZQBZERHH-GFCCVEGCSA-N 1 0 384.274 2.160 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000155123394 531657597 /nfs/dbraw/zinc/65/75/97/531657597.db2.gz KALMHGJNNKZAOP-NSHDSACASA-N 1 0 384.299 2.083 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000171719575 531913594 /nfs/dbraw/zinc/91/35/94/531913594.db2.gz DEEJXECOVVPLKC-UHFFFAOYSA-N 1 0 376.400 2.360 20 30 GEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](C)CS(C)(=O)=O ZINC000122790239 532081973 /nfs/dbraw/zinc/08/19/73/532081973.db2.gz HIDDLLVPHHQTDX-OAHLLOKOSA-N 1 0 386.587 2.265 20 30 GEEDRO N#Cc1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000131558023 532200018 /nfs/dbraw/zinc/20/00/18/532200018.db2.gz WKLULOSUCUDODF-UHFFFAOYSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1ccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000134791097 532263156 /nfs/dbraw/zinc/26/31/56/532263156.db2.gz BISQHBLDTUDQCX-UHFFFAOYSA-N 1 0 377.286 2.065 20 30 GEEDRO COc1ccc(Br)c(C(=O)NCCC[NH+]=C(N(C)C)N(C)C)c1 ZINC000191159409 532359819 /nfs/dbraw/zinc/35/98/19/532359819.db2.gz SMLZSIOVQASQJU-UHFFFAOYSA-N 1 0 385.306 2.057 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886638 532388020 /nfs/dbraw/zinc/38/80/20/532388020.db2.gz SXSNQPUWMAGMBJ-IAQYHMDHSA-N 1 0 386.315 2.281 20 30 GEEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000517230562 532410503 /nfs/dbraw/zinc/41/05/03/532410503.db2.gz GLLQCHIJDBHYGK-XKQJLSEDSA-N 1 0 384.318 2.321 20 30 GEEDRO CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](O)c1ccccc1Br ZINC000295377699 532441259 /nfs/dbraw/zinc/44/12/59/532441259.db2.gz QJEXGROOZFLZPN-MRXNPFEDSA-N 1 0 393.285 2.070 20 30 GEEDRO N#Cc1ncn(C2CCN(Cc3cnc4ccc(Br)cn34)CC2)n1 ZINC000373469394 532452119 /nfs/dbraw/zinc/45/21/19/532452119.db2.gz ZJQIGJOERFMROU-UHFFFAOYSA-N 1 0 386.257 2.397 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000592364897 532451678 /nfs/dbraw/zinc/45/16/78/532451678.db2.gz GVVJTIQTLWCGJW-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO C[NH+](C)CCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592763490 532460372 /nfs/dbraw/zinc/46/03/72/532460372.db2.gz JDESEJABHYKMNE-UHFFFAOYSA-N 1 0 379.302 2.215 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000374399382 532500638 /nfs/dbraw/zinc/50/06/38/532500638.db2.gz BHRZJRWLPJADQM-HOTGVXAUSA-N 1 0 384.571 2.276 20 30 GEEDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000236870726 532500993 /nfs/dbraw/zinc/50/09/93/532500993.db2.gz SSHJNPQYMGMYCG-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000521908040 532520956 /nfs/dbraw/zinc/52/09/56/532520956.db2.gz MIXDDVYDEJVITM-UHFFFAOYSA-N 1 0 388.269 2.353 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000283727451 532552153 /nfs/dbraw/zinc/55/21/53/532552153.db2.gz HEDRWRSERMCVBY-UHFFFAOYSA-N 1 0 394.313 2.222 20 30 GEEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947532 532579165 /nfs/dbraw/zinc/57/91/65/532579165.db2.gz GIOIMTTTXCDWDD-UHFFFAOYSA-N 1 0 394.360 2.095 20 30 GEEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262657577 532596729 /nfs/dbraw/zinc/59/67/29/532596729.db2.gz KXKZBGJSJRPPBM-CYBMUJFWSA-N 1 0 393.329 2.267 20 30 GEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000567214402 532644406 /nfs/dbraw/zinc/64/44/06/532644406.db2.gz LOYLSBSNLDWFOH-MRXNPFEDSA-N 1 0 378.318 2.320 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573839 532666053 /nfs/dbraw/zinc/66/60/53/532666053.db2.gz ZTMXDUIPESMXRN-SFHVURJKSA-N 1 0 394.313 2.021 20 30 GEEDRO CCCOc1c(Br)cc(C[NH2+]CCn2cnc(C#N)n2)cc1OC ZINC000285443775 532680111 /nfs/dbraw/zinc/68/01/11/532680111.db2.gz IMQZIEKWCZMERY-UHFFFAOYSA-N 1 0 394.273 2.499 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000600744537 532681628 /nfs/dbraw/zinc/68/16/28/532681628.db2.gz CPTCOSXBLHWNPC-UONOGXRCSA-N 1 0 385.277 2.384 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000299530956 532724886 /nfs/dbraw/zinc/72/48/86/532724886.db2.gz STQXULCVVGLKKG-UHFFFAOYSA-N 1 0 395.297 2.428 20 30 GEEDRO C=CCN1CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000582600742 532760542 /nfs/dbraw/zinc/76/05/42/532760542.db2.gz AIFDBJVZWXCVFG-UHFFFAOYSA-N 1 0 387.343 2.463 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000583033864 532762748 /nfs/dbraw/zinc/76/27/48/532762748.db2.gz CTTUGUNIROJPKJ-CJNGLKHVSA-N 1 0 379.482 2.430 20 30 GEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286727358 532765278 /nfs/dbraw/zinc/76/52/78/532765278.db2.gz XPBYXICKZGYKMH-CXAGYDPISA-N 1 0 382.302 2.254 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286813361 532770600 /nfs/dbraw/zinc/77/06/00/532770600.db2.gz IJGMEFNEZORUGH-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287235792 532787493 /nfs/dbraw/zinc/78/74/93/532787493.db2.gz OGWKRYDUXKPDCU-UHFFFAOYSA-N 1 0 394.317 2.468 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000326526449 532790253 /nfs/dbraw/zinc/79/02/53/532790253.db2.gz GCDLASHSIHRMBH-SUMWQHHRSA-N 1 0 391.269 2.260 20 30 GEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC(F)(F)[C@H](CO)C1 ZINC000329810020 532812032 /nfs/dbraw/zinc/81/20/32/532812032.db2.gz MIDPTIYFCQZUGS-AWEZNQCLSA-N 1 0 377.501 2.212 20 30 GEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000288025191 532815121 /nfs/dbraw/zinc/81/51/21/532815121.db2.gz LGCMUWXVRLNINT-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000330374272 532817532 /nfs/dbraw/zinc/81/75/32/532817532.db2.gz MNVUJJKNMAEEFL-ZIAGYGMSSA-N 1 0 393.456 2.243 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414959439 532835912 /nfs/dbraw/zinc/83/59/12/532835912.db2.gz FMUHMABKPFHPBA-AWEZNQCLSA-N 1 0 384.318 2.016 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428352 532839448 /nfs/dbraw/zinc/83/94/48/532839448.db2.gz BUELBIQAGSMXBT-BMIGLBTASA-N 1 0 384.299 2.082 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415433225 532845254 /nfs/dbraw/zinc/84/52/54/532845254.db2.gz ABHKDIJOEPNYDH-OAHLLOKOSA-N 1 0 393.285 2.283 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000415728422 532854999 /nfs/dbraw/zinc/85/49/99/532854999.db2.gz SLZMRTQZUFHLBC-HAQNSBGRSA-N 1 0 393.285 2.141 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415823397 532858911 /nfs/dbraw/zinc/85/89/11/532858911.db2.gz PTNNTFOPKNQRRT-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000333150466 532865557 /nfs/dbraw/zinc/86/55/57/532865557.db2.gz KMTOKGDRBKDGPO-HIFRSBDPSA-N 1 0 398.326 2.426 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000290867440 532891221 /nfs/dbraw/zinc/89/12/21/532891221.db2.gz DXQPKWMEKLYOHQ-WFASDCNBSA-N 1 0 383.539 2.305 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[N@@H+]1C1CC1 ZINC000294051994 532935280 /nfs/dbraw/zinc/93/52/80/532935280.db2.gz JNSHDOYVTFTKDK-GWCFXTLKSA-N 1 0 391.269 2.001 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000294073132 532935600 /nfs/dbraw/zinc/93/56/00/532935600.db2.gz VZURLRMXZOGLID-UHFFFAOYSA-N 1 0 377.901 2.084 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735425365 598413032 /nfs/dbraw/zinc/41/30/32/598413032.db2.gz AHHURZARQUNETP-UHFFFAOYSA-N 1 0 393.398 2.240 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000445709802 649963884 /nfs/dbraw/zinc/96/38/84/649963884.db2.gz OZOKXJQPZTWSFF-LSDHHAIUSA-N 1 0 385.942 2.412 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420947 606299571 /nfs/dbraw/zinc/29/95/71/606299571.db2.gz YMFLUUHIIZPFIL-NHYWBVRUSA-N 1 0 379.449 2.256 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419828 606299630 /nfs/dbraw/zinc/29/96/30/606299630.db2.gz KKCTXYSDFCTCBS-XHDPSFHLSA-N 1 0 379.449 2.256 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000819744189 606878796 /nfs/dbraw/zinc/87/87/96/606878796.db2.gz ZNMATLHOCUQEMV-KBXCAEBGSA-N 1 0 381.484 2.047 20 30 GEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569048 608484077 /nfs/dbraw/zinc/48/40/77/608484077.db2.gz GBMBEPPOFACHDO-KSSFIOAISA-N 1 0 378.436 2.023 20 30 GEEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826387675 608529835 /nfs/dbraw/zinc/52/98/35/608529835.db2.gz KDMGHWCRPKKKQE-UHFFFAOYSA-N 1 0 379.449 2.407 20 30 GEEDRO Cc1oc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(C#N)c1C ZINC000826342670 608530894 /nfs/dbraw/zinc/53/08/94/608530894.db2.gz VMPCJNUDQOGMRE-UHFFFAOYSA-N 1 0 377.408 2.166 20 30 GEEDRO N#CCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000826380980 609428822 /nfs/dbraw/zinc/42/88/22/609428822.db2.gz SOIUUBSJPPIOBP-UHFFFAOYSA-N 1 0 385.497 2.371 20 30 GEEDRO N#Cc1csc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826387639 609600048 /nfs/dbraw/zinc/60/00/48/609600048.db2.gz HVBPHBWAXJURPX-INIZCTEOSA-N 1 0 379.449 2.085 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000446930303 649990771 /nfs/dbraw/zinc/99/07/71/649990771.db2.gz NLTFAFVBHPSBAB-XYPHTWIQSA-N 1 0 383.901 2.084 20 30 GEEDRO CC(C)[C@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCN(C)CC1 ZINC000448968987 650027298 /nfs/dbraw/zinc/02/72/98/650027298.db2.gz HVRYKMSSSOLQGW-INIZCTEOSA-N 1 0 393.329 2.323 20 30 GEEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449915256 650055558 /nfs/dbraw/zinc/05/55/58/650055558.db2.gz XNJSZGZBJGMAJZ-INIZCTEOSA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000450077987 650059549 /nfs/dbraw/zinc/05/95/49/650059549.db2.gz VOEXMISDSRMPEP-AAEUAGOBSA-N 1 0 378.270 2.441 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103226 650060059 /nfs/dbraw/zinc/06/00/59/650060059.db2.gz GFGSQUVKLBDSPQ-BDJLRTHQSA-N 1 0 378.270 2.298 20 30 GEEDRO N#Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1Br ZINC000450243056 650062734 /nfs/dbraw/zinc/06/27/34/650062734.db2.gz MQBABFJLSIIJHA-AWEZNQCLSA-N 1 0 380.286 2.287 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000501043683 650386693 /nfs/dbraw/zinc/38/66/93/650386693.db2.gz DJAMVKBXTNVQTF-KRWDZBQOSA-N 1 0 394.313 2.173 20 30 GEEDRO C=CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000460045780 650438751 /nfs/dbraw/zinc/43/87/51/650438751.db2.gz BZSPEBFLNQOHGC-UHFFFAOYSA-N 1 0 396.329 2.374 20 30 GEEDRO CCc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000460938610 650448493 /nfs/dbraw/zinc/44/84/93/650448493.db2.gz LGXLYCKOGOHPTF-UHFFFAOYSA-N 1 0 378.523 2.330 20 30 GEEDRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CC#N)CC1 ZINC000476019414 650543394 /nfs/dbraw/zinc/54/33/94/650543394.db2.gz MHSRPZGSHJMPIX-UHFFFAOYSA-N 1 0 397.292 2.078 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000514732108 650577857 /nfs/dbraw/zinc/57/78/57/650577857.db2.gz AQPWFVCPQGKVNO-UHFFFAOYSA-N 1 0 376.931 2.083 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000517018742 650601715 /nfs/dbraw/zinc/60/17/15/650601715.db2.gz NIVSELARBQLSEZ-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COCCN2)cc1OCC ZINC000530181066 650717288 /nfs/dbraw/zinc/71/72/88/650717288.db2.gz JMDWZAFMXFXMBP-CQSZACIVSA-N 1 0 385.302 2.491 20 30 GEEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000535052426 650784069 /nfs/dbraw/zinc/78/40/69/650784069.db2.gz QBISRAFXUBLDOT-WBVHZDCISA-N 1 0 391.313 2.110 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067936380 642981992 /nfs/dbraw/zinc/98/19/92/642981992.db2.gz SWHPWQDKYGNVJC-CQSZACIVSA-N 1 0 385.291 2.195 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C)nc2Br)c1C#N ZINC000134097931 643900836 /nfs/dbraw/zinc/90/08/36/643900836.db2.gz WEOSBTUSRVZDTQ-UHFFFAOYSA-N 1 0 377.246 2.152 20 30 GEEDRO C=C(Br)CNC(=[NH+]CC)N1CCN(c2nc(CC)ns2)CC1 ZINC000153157898 643978510 /nfs/dbraw/zinc/97/85/10/643978510.db2.gz QJNIJTKKAIUADV-UHFFFAOYSA-N 1 0 387.351 2.097 20 30 GEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320241 644142673 /nfs/dbraw/zinc/14/26/73/644142673.db2.gz WUBATGQPYJDGDY-AWEZNQCLSA-N 1 0 379.507 2.449 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177592990 644419711 /nfs/dbraw/zinc/41/97/11/644419711.db2.gz CEYUIMIMXCOUAN-GFCCVEGCSA-N 1 0 375.441 2.346 20 30 GEEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N1CCO[C@@H](COC)C1 ZINC000179265010 644454187 /nfs/dbraw/zinc/45/41/87/644454187.db2.gz KIEQFIHAJICBEA-MRXNPFEDSA-N 1 0 396.329 2.403 20 30 GEEDRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000190378082 645155605 /nfs/dbraw/zinc/15/56/05/645155605.db2.gz OXPYUUAZANDMPS-GOSISDBHSA-N 1 0 384.929 2.064 20 30 GEEDRO C=C(Br)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192358953 645200840 /nfs/dbraw/zinc/20/08/40/645200840.db2.gz XPRLSBWMAJXAOY-INIZCTEOSA-N 1 0 382.302 2.485 20 30 GEEDRO CC[NH+]=C(NCc1cc(F)cc(Br)c1)N1CCO[C@H](COC)C1 ZINC000261644306 645593111 /nfs/dbraw/zinc/59/31/11/645593111.db2.gz AMQRMGWBVHDMRL-HNNXBMFYSA-N 1 0 388.281 2.401 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000261702424 645595180 /nfs/dbraw/zinc/59/51/80/645595180.db2.gz JIYRDHJMSQHEDU-KBPBESRZSA-N 1 0 381.318 2.229 20 30 GEEDRO C#CCNC(=[NH+]C)N1CCC(Oc2ccccc2I)CC1 ZINC000261806575 645602212 /nfs/dbraw/zinc/60/22/12/645602212.db2.gz SFXYTADOBLWDKQ-UHFFFAOYSA-N 1 0 397.260 2.343 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCCN1Cc1ccc(I)cc1)NC1CC1 ZINC000262414355 645629371 /nfs/dbraw/zinc/62/93/71/645629371.db2.gz TTWQEGIHNSFOOP-OAHLLOKOSA-N 1 0 398.292 2.322 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000262488262 645632831 /nfs/dbraw/zinc/63/28/31/645632831.db2.gz UASQEUMNWWINTB-KGLIPLIRSA-N 1 0 381.318 2.311 20 30 GEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262755443 645644584 /nfs/dbraw/zinc/64/45/84/645644584.db2.gz AXMRFCUVQRDKRX-OAHLLOKOSA-N 1 0 395.345 2.498 20 30 GEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262822709 645646064 /nfs/dbraw/zinc/64/60/64/645646064.db2.gz YREAPUSQZWLPNQ-OAHLLOKOSA-N 1 0 395.345 2.498 20 30 GEEDRO C[NH+]=C(NCc1nc(C)no1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262826518 645646708 /nfs/dbraw/zinc/64/67/08/645646708.db2.gz UHLQEDDWOMFUPJ-LBPRGKRZSA-N 1 0 393.289 2.084 20 30 GEEDRO C[NH+]=C(NCc1nccn1C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262832826 645646716 /nfs/dbraw/zinc/64/67/16/645646716.db2.gz VLEOOBDUEFSUSW-CYBMUJFWSA-N 1 0 391.317 2.127 20 30 GEEDRO C#C[C@@H](NC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 ZINC000263139035 645654384 /nfs/dbraw/zinc/65/43/84/645654384.db2.gz NYBRYTAJMLZUBI-MRXNPFEDSA-N 1 0 399.296 2.050 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287154622 646883476 /nfs/dbraw/zinc/88/34/76/646883476.db2.gz BVGPJMVWXFJVED-LBPRGKRZSA-N 1 0 386.315 2.426 20 30 GEEDRO CS[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1[NH+](C)C ZINC000299683598 647273745 /nfs/dbraw/zinc/27/37/45/647273745.db2.gz NGONNMXWPCDRAK-HOCLYGCPSA-N 1 0 378.567 2.414 20 30 GEEDRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000303791537 647278545 /nfs/dbraw/zinc/27/85/45/647278545.db2.gz XPFNLFTUQJRWOU-UHFFFAOYSA-N 1 0 382.873 2.054 20 30 GEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000304747567 647279259 /nfs/dbraw/zinc/27/92/59/647279259.db2.gz GNAHRDPZAUUZGB-AWEZNQCLSA-N 1 0 384.571 2.305 20 30 GEEDRO C[C@@H](NC(=[NH2+])NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000304749634 647279341 /nfs/dbraw/zinc/27/93/41/647279341.db2.gz HUUFJTCXWJVPHW-SECBINFHSA-N 1 0 381.329 2.287 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000330571725 647345953 /nfs/dbraw/zinc/34/59/53/647345953.db2.gz FSPVOLINWMWYCU-KBPBESRZSA-N 1 0 393.456 2.243 20 30 GEEDRO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000331055197 647365006 /nfs/dbraw/zinc/36/50/06/647365006.db2.gz KJJHLIZSLCVWEC-GFCCVEGCSA-N 1 0 385.306 2.208 20 30 GEEDRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCSC[C@@H]3CO)c2C#N)C1 ZINC000334028335 647487949 /nfs/dbraw/zinc/48/79/49/647487949.db2.gz JEHMXIXJKWAMRA-STQMWFEESA-N 1 0 379.551 2.483 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000411120323 648023485 /nfs/dbraw/zinc/02/34/85/648023485.db2.gz OBZXJWMMLLLJFJ-UHFFFAOYSA-N 1 0 384.274 2.020 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432394 648126092 /nfs/dbraw/zinc/12/60/92/648126092.db2.gz JYONEYSOBPUGJK-DZGCQCFKSA-N 1 0 398.326 2.426 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000416560071 648171995 /nfs/dbraw/zinc/17/19/95/648171995.db2.gz RTODCWIGHOFDGI-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000416563281 648172714 /nfs/dbraw/zinc/17/27/14/648172714.db2.gz XVAWRVDHISRLIU-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419655944 648360143 /nfs/dbraw/zinc/36/01/43/648360143.db2.gz TXEVTFFTTGPZKH-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419673129 648362340 /nfs/dbraw/zinc/36/23/40/648362340.db2.gz IGHIOHYNKVWLFF-STQMWFEESA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419690824 648365313 /nfs/dbraw/zinc/36/53/13/648365313.db2.gz CSNJLKOHRILVRL-FZMZJTMJSA-N 1 0 393.285 2.058 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419704677 648367686 /nfs/dbraw/zinc/36/76/86/648367686.db2.gz HYFADWHGKNNNGT-CYBMUJFWSA-N 1 0 393.285 2.202 20 30 GEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425736105 648691915 /nfs/dbraw/zinc/69/19/15/648691915.db2.gz GMGAVAIGKLDMNF-LLVKDONJSA-N 1 0 395.301 2.414 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc(Br)c1C#N ZINC000425740700 648692797 /nfs/dbraw/zinc/69/27/97/648692797.db2.gz ISIXNQMEYDXNKB-XHDPSFHLSA-N 1 0 393.285 2.167 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc(Br)c1C#N ZINC000425749717 648694386 /nfs/dbraw/zinc/69/43/86/648694386.db2.gz XALYRTYCZSHEAO-HNNXBMFYSA-N 1 0 393.285 2.024 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(Br)ccc2[nH]1 ZINC000548488906 651078856 /nfs/dbraw/zinc/07/88/56/651078856.db2.gz PZENFWNRZIFYCR-UHFFFAOYSA-N 1 0 388.273 2.567 20 30 GEEDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000562071883 651488316 /nfs/dbraw/zinc/48/83/16/651488316.db2.gz XIHGYMAUTPPSSH-UHFFFAOYSA-N 1 0 375.416 2.338 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000603437202 651492487 /nfs/dbraw/zinc/49/24/87/651492487.db2.gz JGOFABFNCDGZCO-UHFFFAOYSA-N 1 0 377.251 2.128 20 30 GEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(Cl)cc1 ZINC000565653675 651596010 /nfs/dbraw/zinc/59/60/10/651596010.db2.gz GKDDSQJEZOZEPW-ZDUSSCGKSA-N 1 0 379.869 2.437 20 30 GEEDRO C=CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000569763874 651722678 /nfs/dbraw/zinc/72/26/78/651722678.db2.gz MBHLSTVPGDZKAA-UHFFFAOYSA-N 1 0 396.329 2.422 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000615279048 651860395 /nfs/dbraw/zinc/86/03/95/651860395.db2.gz JMZZIUUCCDMJSP-UHFFFAOYSA-N 1 0 379.302 2.311 20 30 GEEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc(Br)c1OC ZINC000572307238 651884160 /nfs/dbraw/zinc/88/41/60/651884160.db2.gz GVVVLJWWHKBRQJ-UHFFFAOYSA-N 1 0 382.258 2.184 20 30 GEEDRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000573730178 651976335 /nfs/dbraw/zinc/97/63/35/651976335.db2.gz DUHIPAQGXOOPMN-OAHLLOKOSA-N 1 0 378.885 2.230 20 30 GEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000575123534 652063404 /nfs/dbraw/zinc/06/34/04/652063404.db2.gz LSKDMHYKNXDVLO-TZMCWYRMSA-N 1 0 399.232 2.064 20 30 GEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000575123532 652063619 /nfs/dbraw/zinc/06/36/19/652063619.db2.gz LSKDMHYKNXDVLO-JSGCOSHPSA-N 1 0 399.232 2.064 20 30 GEEDRO C[NH+]1CCN(c2cccc(Cl)c2C=NNC(=S)NCC(F)(F)F)CC1 ZINC000746496320 652111224 /nfs/dbraw/zinc/11/12/24/652111224.db2.gz FSHVZDGZMRRWJW-UHFFFAOYSA-N 1 0 393.866 2.452 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1OC ZINC000623471796 652239299 /nfs/dbraw/zinc/23/92/99/652239299.db2.gz UAKQUNHSJGMIFX-CQSZACIVSA-N 1 0 388.917 2.427 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578132158 652246712 /nfs/dbraw/zinc/24/67/12/652246712.db2.gz PSPGBZSEPSQPNO-WDEREUQCSA-N 1 0 384.274 2.194 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000751105395 652323863 /nfs/dbraw/zinc/32/38/63/652323863.db2.gz VEFUPUBLACYCDR-AWEZNQCLSA-N 1 0 383.901 2.133 20 30 GEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(Cl)c1 ZINC000580553993 652383116 /nfs/dbraw/zinc/38/31/16/652383116.db2.gz KSIUNKFLMIZNCC-CYBMUJFWSA-N 1 0 379.869 2.437 20 30 GEEDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000581062114 652400064 /nfs/dbraw/zinc/40/00/64/652400064.db2.gz WHXXUHSEWUVKOX-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO [NH3+]C[C@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000627021570 652412664 /nfs/dbraw/zinc/41/26/64/652412664.db2.gz WEBZDPAONKUITE-DTWKUNHWSA-N 1 0 383.308 2.072 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492940 652452769 /nfs/dbraw/zinc/45/27/69/652452769.db2.gz VLILQUSTFWHRED-BBRMVZONSA-N 1 0 379.302 2.413 20 30 GEEDRO C=CC[C@@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000662551471 652467707 /nfs/dbraw/zinc/46/77/07/652467707.db2.gz MFTPSVBHHGBHLK-SFHVURJKSA-N 1 0 394.313 2.384 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC000588632208 652553585 /nfs/dbraw/zinc/55/35/85/652553585.db2.gz FFRFPOPSGVUOBB-NSHDSACASA-N 1 0 393.285 2.106 20 30 GEEDRO CC(C)([NH3+])c1noc(COc2ccc(C#N)cc2I)n1 ZINC000592171308 652589853 /nfs/dbraw/zinc/58/98/53/652589853.db2.gz MACMMXRXGFGOLY-UHFFFAOYSA-N 1 0 384.177 2.319 20 30 GEEDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)cc2C#N)cn1 ZINC000593048862 652612694 /nfs/dbraw/zinc/61/26/94/652612694.db2.gz KPNQKPYVWDQMNB-UHFFFAOYSA-N 1 0 376.258 2.260 20 30 GEEDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000593395501 652619687 /nfs/dbraw/zinc/61/96/87/652619687.db2.gz XNPOTDVJBVSXNY-ZIAGYGMSSA-N 1 0 394.313 2.479 20 30 GEEDRO COCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593418430 652620297 /nfs/dbraw/zinc/62/02/97/652620297.db2.gz GKOYMNHOOVITCK-UHFFFAOYSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593733472 652634023 /nfs/dbraw/zinc/63/40/23/652634023.db2.gz HKJRBDPKOLHINS-ZENOOKHLSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000593732832 652634075 /nfs/dbraw/zinc/63/40/75/652634075.db2.gz PVFDIMBIZNZMSG-KBRIMQKVSA-N 1 0 383.901 2.261 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000593738388 652634716 /nfs/dbraw/zinc/63/47/16/652634716.db2.gz ZGFSWYHLGAGSCO-RVSPLBMKSA-N 1 0 383.901 2.119 20 30 GEEDRO CCO[C@@H]1CN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C[NH3+] ZINC000595113040 652704585 /nfs/dbraw/zinc/70/45/85/652704585.db2.gz JXAUIUSLFKZWCU-UKRRQHHQSA-N 1 0 379.507 2.066 20 30 GEEDRO CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CC[N@H+](C)C1 ZINC000597944005 652793715 /nfs/dbraw/zinc/79/37/15/652793715.db2.gz BPCKVOXUMUFTDJ-MRXNPFEDSA-N 1 0 391.313 2.310 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598719082 652831194 /nfs/dbraw/zinc/83/11/94/652831194.db2.gz GAIQKDLREGVOAQ-AWEZNQCLSA-N 1 0 387.571 2.211 20 30 GEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599100570 652849154 /nfs/dbraw/zinc/84/91/54/652849154.db2.gz JVLDNAFJZPZOBP-CABCVRRESA-N 1 0 375.416 2.042 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000599100943 652849699 /nfs/dbraw/zinc/84/96/99/652849699.db2.gz KUPNKVPLNIZUMB-WDEREUQCSA-N 1 0 381.807 2.359 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1([NH2+]C)CCC1 ZINC000600825387 652934907 /nfs/dbraw/zinc/93/49/07/652934907.db2.gz SSTANHXDFCBWNY-UHFFFAOYSA-N 1 0 396.285 2.357 20 30 GEEDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000601578041 653111798 /nfs/dbraw/zinc/11/17/98/653111798.db2.gz XJDNMPAEDMTCFM-CYBMUJFWSA-N 1 0 393.285 2.154 20 30 GEEDRO C=CCN1CC[C@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641109122 653157840 /nfs/dbraw/zinc/15/78/40/653157840.db2.gz PMQVLARHDKDYKT-LSDHHAIUSA-N 1 0 376.258 2.048 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547496 653190857 /nfs/dbraw/zinc/19/08/57/653190857.db2.gz ZDFNFSZGYFBLNR-HUUCEWRRSA-N 1 0 393.285 2.082 20 30 GEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000602708617 653201249 /nfs/dbraw/zinc/20/12/49/653201249.db2.gz RGFDEBSZLWVURG-CYBMUJFWSA-N 1 0 395.301 2.262 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602885415 653212639 /nfs/dbraw/zinc/21/26/39/653212639.db2.gz DRUNIDMZQGIPPO-CQSZACIVSA-N 1 0 381.274 2.059 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000808718273 653234296 /nfs/dbraw/zinc/23/42/96/653234296.db2.gz RYFXSLCJIMNMJJ-ZDUSSCGKSA-N 1 0 388.693 2.084 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000836349309 653345939 /nfs/dbraw/zinc/34/59/39/653345939.db2.gz LDOYJHCXUPCGFE-RHSMWYFYSA-N 1 0 393.329 2.059 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000836820729 653379649 /nfs/dbraw/zinc/37/96/49/653379649.db2.gz SVZOUGUCAQZCEW-OAHLLOKOSA-N 1 0 399.285 2.248 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000778179630 653434092 /nfs/dbraw/zinc/43/40/92/653434092.db2.gz XRJXKZHTNQVMBL-RDTXWAMCSA-N 1 0 383.897 2.178 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567338 653436047 /nfs/dbraw/zinc/43/60/47/653436047.db2.gz IWJLUYLAYUNXSA-SECBINFHSA-N 1 0 382.173 2.488 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000876672948 653441997 /nfs/dbraw/zinc/44/19/97/653441997.db2.gz YSEHQUZEJZRDSG-ZDUSSCGKSA-N 1 0 377.794 2.250 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896226 653452887 /nfs/dbraw/zinc/45/28/87/653452887.db2.gz XZQGJMSXULZIBS-RYUDHWBXSA-N 1 0 375.778 2.397 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896224 653453041 /nfs/dbraw/zinc/45/30/41/653453041.db2.gz XZQGJMSXULZIBS-NEPJUHHUSA-N 1 0 375.778 2.397 20 30 GEEDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)cc2Br)C1 ZINC000779652140 653526247 /nfs/dbraw/zinc/52/62/47/653526247.db2.gz FYKPAAGPPBEHFW-HNNXBMFYSA-N 1 0 381.274 2.428 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000815118733 653652863 /nfs/dbraw/zinc/65/28/63/653652863.db2.gz KJODNWNIIHVMPJ-CYBMUJFWSA-N 1 0 383.286 2.000 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000815120079 653652937 /nfs/dbraw/zinc/65/29/37/653652937.db2.gz NYZVMIAKXLQFRE-MAUKXSAKSA-N 1 0 379.298 2.334 20 30 GEEDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350918 653655594 /nfs/dbraw/zinc/65/55/94/653655594.db2.gz AXXWGKHRWQMNAA-SJKOYZFVSA-N 1 0 397.269 2.352 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000817045060 653699096 /nfs/dbraw/zinc/69/90/96/653699096.db2.gz SBAOVFSPWLHRIV-MRXNPFEDSA-N 1 0 383.261 2.083 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000817045059 653699123 /nfs/dbraw/zinc/69/91/23/653699123.db2.gz SBAOVFSPWLHRIV-INIZCTEOSA-N 1 0 383.261 2.083 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007992 653704994 /nfs/dbraw/zinc/70/49/94/653704994.db2.gz WIADIIVQLGJMOK-RDDDGLTNSA-N 1 0 388.063 2.445 20 30 GEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sc2c1CCCS2 ZINC000841157642 653708456 /nfs/dbraw/zinc/70/84/56/653708456.db2.gz IPQZYBKPUTZZJH-KOLCDFICSA-N 1 0 380.495 2.196 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194667 653709847 /nfs/dbraw/zinc/70/98/47/653709847.db2.gz OUTHQVIJKILDEU-GXSJLCMTSA-N 1 0 393.270 2.201 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199690 653710236 /nfs/dbraw/zinc/71/02/36/653710236.db2.gz MWSDSZKFWXFQAN-HZMBPMFUSA-N 1 0 379.251 2.471 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225969 653711145 /nfs/dbraw/zinc/71/11/45/653711145.db2.gz LWSZSTHXISVWHF-SCZZXKLOSA-N 1 0 393.270 2.201 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2nn(CC(F)(F)F)cc2Br)CC1 ZINC000817481451 653712766 /nfs/dbraw/zinc/71/27/66/653712766.db2.gz OQEQJOCIIGUIQL-UHFFFAOYSA-N 1 0 393.207 2.492 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000818584247 653734095 /nfs/dbraw/zinc/73/40/95/653734095.db2.gz JNFIAZNTBMAFOZ-UHFFFAOYSA-N 1 0 395.301 2.032 20 30 GEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000818975855 653739638 /nfs/dbraw/zinc/73/96/38/653739638.db2.gz MVDNLJPMXGRPJE-OAHLLOKOSA-N 1 0 391.269 2.157 20 30 GEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000882144056 653765656 /nfs/dbraw/zinc/76/56/56/653765656.db2.gz ATUBMLJBHDUIFG-CZUORRHYSA-N 1 0 378.318 2.178 20 30 GEEDRO C#C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000820611652 653777989 /nfs/dbraw/zinc/77/79/89/653777989.db2.gz MTWCJSNZKHBDGZ-MRXNPFEDSA-N 1 0 394.313 2.222 20 30 GEEDRO C#C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000820612708 653778467 /nfs/dbraw/zinc/77/84/67/653778467.db2.gz ZYGUMJMVEWENBA-CPUCHLNUSA-N 1 0 394.313 2.220 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194378 653803034 /nfs/dbraw/zinc/80/30/34/653803034.db2.gz FWHZRZMICDMSPV-NHYWBVRUSA-N 1 0 376.869 2.146 20 30 GEEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771622 653806233 /nfs/dbraw/zinc/80/62/33/653806233.db2.gz IDSGSFYGYIHDTG-GOEBONIOSA-N 1 0 375.266 2.074 20 30 GEEDRO Cn1nc(Br)nc1CNC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895149742 653820325 /nfs/dbraw/zinc/82/03/25/653820325.db2.gz QDZQHQUZOYJTBC-UHFFFAOYSA-N 1 0 389.301 2.203 20 30 GEEDRO CS[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1[NH+](C)C ZINC000883099200 653826608 /nfs/dbraw/zinc/82/66/08/653826608.db2.gz MOYPVAPHTFFWTH-NEPJUHHUSA-N 1 0 384.303 2.225 20 30 GEEDRO Cn1nc(Br)nc1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000895440167 653834439 /nfs/dbraw/zinc/83/44/39/653834439.db2.gz PGPASGYNGVYYPS-UHFFFAOYSA-N 1 0 375.274 2.208 20 30 GEEDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000883611162 653847589 /nfs/dbraw/zinc/84/75/89/653847589.db2.gz PRIFNIXIIHWJFU-DTWKUNHWSA-N 1 0 375.244 2.204 20 30 GEEDRO CN(CCOc1ccc(Br)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884054800 653861606 /nfs/dbraw/zinc/86/16/06/653861606.db2.gz RNJHDRLHFXQUML-FVRSWCFKSA-N 1 0 392.297 2.426 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156187 653866357 /nfs/dbraw/zinc/86/63/57/653866357.db2.gz VNRMKQQFZXLORB-DWBBHFSCSA-N 1 0 392.297 2.472 20 30 GEEDRO C[NH+]1CCC2(CCN2C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000826068068 653946120 /nfs/dbraw/zinc/94/61/20/653946120.db2.gz BSFUMEQJCXDRMF-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccc(I)cc1NC ZINC000848143219 653961225 /nfs/dbraw/zinc/96/12/25/653961225.db2.gz SBJJCYFJLKRWKB-UHFFFAOYSA-N 1 0 385.249 2.018 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)C2CC[NH+](C(C)C)CC2)c(=O)c1C#N ZINC000848376641 653973596 /nfs/dbraw/zinc/97/35/96/653973596.db2.gz ZUEPAJSZMWNGKT-UHFFFAOYSA-N 1 0 395.301 2.290 20 30 GEEDRO C#CCN(C(=O)/C=C/c1ccc(I)o1)C1CC[NH+](C)CC1 ZINC000886572786 653992260 /nfs/dbraw/zinc/99/22/60/653992260.db2.gz ZWXNOEYMVOMOFZ-FNORWQNLSA-N 1 0 398.244 2.453 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000828033829 654018572 /nfs/dbraw/zinc/01/85/72/654018572.db2.gz RXAGHYIGPQWILS-AWEZNQCLSA-N 1 0 377.282 2.214 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000900111782 654050535 /nfs/dbraw/zinc/05/05/35/654050535.db2.gz HZIHIPWOEABYBQ-AWEZNQCLSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CCN(CN1Cc2c(cccc2Br)C1=O)C1CC[NH+](C)CC1 ZINC000902540715 654182446 /nfs/dbraw/zinc/18/24/46/654182446.db2.gz UXQZZXHYBFKHEZ-UHFFFAOYSA-N 1 0 376.298 2.392 20 30 GEEDRO C#CCN(Cn1c2cc(Br)ccc2oc1=O)C1CC[NH+](C)CC1 ZINC000902537539 654182470 /nfs/dbraw/zinc/18/24/70/654182470.db2.gz BIUCPQNDMGQUCU-UHFFFAOYSA-N 1 0 378.270 2.344 20 30 GEEDRO C#CCN(Cn1c2cc(Br)c(F)cc2oc1=O)C1CC[NH+](C)CC1 ZINC000902537934 654182633 /nfs/dbraw/zinc/18/26/33/654182633.db2.gz FQLYRGCXJIVLFG-UHFFFAOYSA-N 1 0 396.260 2.483 20 30 GEEDRO O=C(N1C[C@@H]2CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]2C1)C(F)(F)F ZINC000831576908 654192245 /nfs/dbraw/zinc/19/22/45/654192245.db2.gz LNGPVLHKKVNHQV-VHSXEESVSA-N 1 0 380.304 2.246 20 30 GEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Br)c(C#N)c1)CC[NH2+]CC2 ZINC000903506187 654242896 /nfs/dbraw/zinc/24/28/96/654242896.db2.gz QRBCCNFTPMXBGX-GFCCVEGCSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903571509 654257853 /nfs/dbraw/zinc/25/78/53/654257853.db2.gz HFGGWJCRHATMNP-WMLDXEAASA-N 1 0 375.475 2.154 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC000903572405 654258291 /nfs/dbraw/zinc/25/82/91/654258291.db2.gz OHFYGFKFTDAHLE-PSASIEDQSA-N 1 0 380.285 2.355 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000852824267 654261855 /nfs/dbraw/zinc/26/18/55/654261855.db2.gz ZXTGMAXGTJSEEB-QGZVFWFLSA-N 1 0 377.282 2.352 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489167 654329335 /nfs/dbraw/zinc/32/93/35/654329335.db2.gz KEIQRVRJYSOLLK-ABAIWWIYSA-N 1 0 390.237 2.462 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000854094508 654340289 /nfs/dbraw/zinc/34/02/89/654340289.db2.gz UCILIACHTHLVMR-KRWDZBQOSA-N 1 0 394.313 2.487 20 30 GEEDRO C[C@@](O)(C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905352622 654352730 /nfs/dbraw/zinc/35/27/30/654352730.db2.gz YAAYMMNZCYWIDR-QPUJVOFHSA-N 1 0 379.272 2.243 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000922022078 654356043 /nfs/dbraw/zinc/35/60/43/654356043.db2.gz GVJVERNOUNJSFZ-UHFFFAOYSA-N 1 0 396.310 2.039 20 30 GEEDRO [NH3+]C[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000892708207 654360903 /nfs/dbraw/zinc/36/09/03/654360903.db2.gz RHFZXRIKPIAREG-SFYZADRCSA-N 1 0 387.271 2.327 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557109 654365788 /nfs/dbraw/zinc/36/57/88/654365788.db2.gz SOBKUQPDZCNWHO-DZGCQCFKSA-N 1 0 376.400 2.422 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665428 654387925 /nfs/dbraw/zinc/38/79/25/654387925.db2.gz YBCWKKMVAIYCFR-LSDHHAIUSA-N 1 0 384.299 2.178 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922617236 654403633 /nfs/dbraw/zinc/40/36/33/654403633.db2.gz HMUHHFGPHLDFMP-QGZVFWFLSA-N 1 0 389.901 2.207 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922632039 654404894 /nfs/dbraw/zinc/40/48/94/654404894.db2.gz YFZJJINJEOTWHW-CQSZACIVSA-N 1 0 380.290 2.041 20 30 GEEDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417947 654474035 /nfs/dbraw/zinc/47/40/35/654474035.db2.gz XRHRJEBFCWDYOB-CXAGYDPISA-N 1 0 391.269 2.273 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000907331452 654532853 /nfs/dbraw/zinc/53/28/53/654532853.db2.gz ZALJHWYEGVUNKE-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907395800 654539078 /nfs/dbraw/zinc/53/90/78/654539078.db2.gz CIIWZMZBEWSWEY-QWHCGFSZSA-N 1 0 384.299 2.178 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926144312 654560718 /nfs/dbraw/zinc/56/07/18/654560718.db2.gz ZBYBOEPLJNVOPF-INIZCTEOSA-N 1 0 384.274 2.331 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000907796650 654579947 /nfs/dbraw/zinc/57/99/47/654579947.db2.gz NVGWWGUFMGVOLN-OAHLLOKOSA-N 1 0 380.286 2.179 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928459203 654648249 /nfs/dbraw/zinc/64/82/49/654648249.db2.gz VICYMPSAIPSNJW-FZMZJTMJSA-N 1 0 396.285 2.307 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000928649241 654654330 /nfs/dbraw/zinc/65/43/30/654654330.db2.gz WNHNNTUDWKNBSR-GFCCVEGCSA-N 1 0 378.108 2.096 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000928650151 654654477 /nfs/dbraw/zinc/65/44/77/654654477.db2.gz ZVGJOFKNGZWFAG-UHFFFAOYSA-N 1 0 375.270 2.163 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929426955 654683587 /nfs/dbraw/zinc/68/35/87/654683587.db2.gz DBXXGIAARIMZIF-DOTOQJQBSA-N 1 0 388.277 2.479 20 30 GEEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932551786 654781417 /nfs/dbraw/zinc/78/14/17/654781417.db2.gz UWPIHIDAVOGJAH-NSHDSACASA-N 1 0 384.221 2.236 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000913518431 654796917 /nfs/dbraw/zinc/79/69/17/654796917.db2.gz OOYKEWOBNZHYJT-UHFFFAOYSA-N 1 0 375.523 2.115 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1c(F)ccc(I)c1Cl ZINC000913525292 654796960 /nfs/dbraw/zinc/79/69/60/654796960.db2.gz QUHHXIIXMDJZSC-UHFFFAOYSA-N 1 0 394.615 2.379 20 30 GEEDRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913518254 654796969 /nfs/dbraw/zinc/79/69/69/654796969.db2.gz KFAJEMJPYNZQFI-HNNXBMFYSA-N 1 0 382.551 2.032 20 30 GEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCC1 ZINC000933300329 654807142 /nfs/dbraw/zinc/80/71/42/654807142.db2.gz YKAPRHPSAYNAOU-UHFFFAOYSA-N 1 0 383.901 2.064 20 30 GEEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000933437564 654813205 /nfs/dbraw/zinc/81/32/05/654813205.db2.gz PFUNFMDVFDEBPR-MSOLQXFVSA-N 1 0 394.313 2.141 20 30 GEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2csc(C#N)c2)c1 ZINC000913937381 654817264 /nfs/dbraw/zinc/81/72/64/654817264.db2.gz QFINKFOVVPBRDT-UHFFFAOYSA-N 1 0 379.507 2.180 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497007 654851238 /nfs/dbraw/zinc/85/12/38/654851238.db2.gz GSNYIJGCNCHQRC-SUMWQHHRSA-N 1 0 382.302 2.254 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)cc(C#N)n1)CCC2 ZINC001164812877 720219143 /nfs/dbraw/zinc/21/91/43/720219143.db2.gz JXZNOVBFWCFOMX-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826523 720342196 /nfs/dbraw/zinc/34/21/96/720342196.db2.gz KFHJECXCCUOZKS-WOJBJXKFSA-N 1 0 381.524 2.368 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C#N)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841293 720523842 /nfs/dbraw/zinc/52/38/42/720523842.db2.gz YAZYLVZSMSQMSE-SLFFLAALSA-N 1 0 375.480 2.399 20 30 GEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834038 720533563 /nfs/dbraw/zinc/53/35/63/720533563.db2.gz CIAYRFVITLBUCL-YTQUADARSA-N 1 0 395.467 2.436 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164838496 720541991 /nfs/dbraw/zinc/54/19/91/720541991.db2.gz OCYOICIHELWLPR-NJAFHUGGSA-N 1 0 395.467 2.436 20 30 GEEDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164752798 720814333 /nfs/dbraw/zinc/81/43/33/720814333.db2.gz ZYEXFPHTKYIASH-CMKODMSKSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1CC#N ZINC001164745210 720850085 /nfs/dbraw/zinc/85/00/85/720850085.db2.gz MUFVDMUWQKATIS-NJDAHSKKSA-N 1 0 391.523 2.427 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893818 721439079 /nfs/dbraw/zinc/43/90/79/721439079.db2.gz KSZIIAHQFHDRMC-IFMALSPDSA-N 1 0 383.540 2.222 20 30 GEEDRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164985869 722100045 /nfs/dbraw/zinc/10/00/45/722100045.db2.gz XHOXARFWCTZOIW-FXAWDEMLSA-N 1 0 379.464 2.084 20 30 GEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155169891 531661159 /nfs/dbraw/zinc/66/11/59/531661159.db2.gz XDIQBUHTWFPYJJ-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000171718488 531914075 /nfs/dbraw/zinc/91/40/75/531914075.db2.gz YMOWDAYOICWYEI-UHFFFAOYSA-N 1 0 395.301 2.337 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000173271303 532000846 /nfs/dbraw/zinc/00/08/46/532000846.db2.gz GUUDZXRCSSENKX-UHFFFAOYSA-N 1 0 384.249 2.293 20 30 GEEDRO COC(=O)C1CC[NH+](CCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603284959 532087664 /nfs/dbraw/zinc/08/76/64/532087664.db2.gz XCOWXWZIISOQJI-UHFFFAOYSA-N 1 0 381.274 2.403 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178089901 532192274 /nfs/dbraw/zinc/19/22/74/532192274.db2.gz GHCOHJFWTRSJLA-INIZCTEOSA-N 1 0 382.302 2.432 20 30 GEEDRO CCNC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440083 532298629 /nfs/dbraw/zinc/29/86/29/532298629.db2.gz GOKOWCZXBXEMGC-MRXNPFEDSA-N 1 0 379.302 2.158 20 30 GEEDRO CC1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000182835958 532318744 /nfs/dbraw/zinc/31/87/44/532318744.db2.gz YVMZDPIQOMLTSW-HNNXBMFYSA-N 1 0 378.567 2.284 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185056104 532336772 /nfs/dbraw/zinc/33/67/72/532336772.db2.gz FMPSIAMIYNKHTA-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184822339 532334931 /nfs/dbraw/zinc/33/49/31/532334931.db2.gz NXXZDDUPXBBRTG-UHFFFAOYSA-N 1 0 394.317 2.057 20 30 GEEDRO CCCCNC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br ZINC000191159659 532359778 /nfs/dbraw/zinc/35/97/78/532359778.db2.gz QSENUACBPFEIIF-UHFFFAOYSA-N 1 0 385.306 2.282 20 30 GEEDRO N#CCCN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000591020594 532395494 /nfs/dbraw/zinc/39/54/94/532395494.db2.gz PZGRFAKTEQQMCH-UHFFFAOYSA-N 1 0 383.265 2.448 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc(Br)c1C#N ZINC000425733063 532391124 /nfs/dbraw/zinc/39/11/24/532391124.db2.gz AEVSRFTXOGAPCD-PWSUYJOCSA-N 1 0 393.285 2.167 20 30 GEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295059661 532400455 /nfs/dbraw/zinc/40/04/55/532400455.db2.gz CAQTZBRWXZGEKO-UHFFFAOYSA-N 1 0 390.278 2.175 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591324654 532407251 /nfs/dbraw/zinc/40/72/51/532407251.db2.gz HPWLHZSWTJASPI-CQSZACIVSA-N 1 0 384.299 2.083 20 30 GEEDRO C=CCN1CC[C@@H](N(C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388633 532422836 /nfs/dbraw/zinc/42/28/36/532422836.db2.gz VGOXOSJYCGHXFK-HZPDHXFCSA-N 1 0 392.297 2.421 20 30 GEEDRO C[NH+](C)[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 ZINC000592751406 532459352 /nfs/dbraw/zinc/45/93/52/532459352.db2.gz UDHQXCLFNXZZBU-QGZVFWFLSA-N 1 0 391.313 2.213 20 30 GEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295584754 532460646 /nfs/dbraw/zinc/46/06/46/532460646.db2.gz XDAXEKDTDKEMPO-UHFFFAOYSA-N 1 0 380.286 2.286 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282586231 532480802 /nfs/dbraw/zinc/48/08/02/532480802.db2.gz GLWLETPZHYXQGE-OAHLLOKOSA-N 1 0 381.245 2.483 20 30 GEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000593657987 532493049 /nfs/dbraw/zinc/49/30/49/532493049.db2.gz QDSOGLXCLZXHBP-UHFFFAOYSA-N 1 0 395.301 2.353 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000594532816 532513941 /nfs/dbraw/zinc/51/39/41/532513941.db2.gz VYDJRMOKEJNEHM-UHFFFAOYSA-N 1 0 384.299 2.213 20 30 GEEDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000564853692 532535185 /nfs/dbraw/zinc/53/51/85/532535185.db2.gz HQCDHXNCPQHABR-INIZCTEOSA-N 1 0 379.869 2.358 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000595129993 532545107 /nfs/dbraw/zinc/54/51/07/532545107.db2.gz HRJQHBRMIGSYOP-CQSZACIVSA-N 1 0 393.285 2.202 20 30 GEEDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000564849687 532534426 /nfs/dbraw/zinc/53/44/26/532534426.db2.gz NYKBNCYXDAFMTH-INIZCTEOSA-N 1 0 379.869 2.358 20 30 GEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3CC[C@@H](C1)[S@]3=O)CCC2 ZINC000528789551 532582906 /nfs/dbraw/zinc/58/29/06/532582906.db2.gz UCYAXZJCLXGPTF-OCDDVZBJSA-N 1 0 377.535 2.422 20 30 GEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N(C)Cc1ccccc1Br ZINC000262803988 532602739 /nfs/dbraw/zinc/60/27/39/532602739.db2.gz WGFLMLWYBKKJKG-UHFFFAOYSA-N 1 0 384.318 2.245 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262834137 532604386 /nfs/dbraw/zinc/60/43/86/532604386.db2.gz RZGJCQANNZMSOI-GJZGRUSLSA-N 1 0 395.345 2.477 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000474154984 532607700 /nfs/dbraw/zinc/60/77/00/532607700.db2.gz BHMJOEUHEPNCMT-HNNXBMFYSA-N 1 0 385.917 2.333 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC1C[NH+](C)C1 ZINC000598164833 532641873 /nfs/dbraw/zinc/64/18/73/532641873.db2.gz WUOPKOULOSREMY-UHFFFAOYSA-N 1 0 396.285 2.118 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](C)[NH+](C)C ZINC000298506398 532654704 /nfs/dbraw/zinc/65/47/04/532654704.db2.gz MZGWCTVEGSHJDA-NSHDSACASA-N 1 0 384.274 2.165 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000378238258 532685362 /nfs/dbraw/zinc/68/53/62/532685362.db2.gz ZTJWGZVCNHZQBU-COXVUDFISA-N 1 0 383.901 2.084 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]CCOc2cccc(Br)c2)CCOCC1 ZINC000600719348 532679275 /nfs/dbraw/zinc/67/92/75/532679275.db2.gz JUWMMAAZVPKVEM-HNNXBMFYSA-N 1 0 383.286 2.489 20 30 GEEDRO CN1C(=O)CSC12CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000378624099 532699837 /nfs/dbraw/zinc/69/98/37/532699837.db2.gz QWGCAZJMVHWHFB-UHFFFAOYSA-N 1 0 378.885 2.147 20 30 GEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000500679356 532732627 /nfs/dbraw/zinc/73/26/27/532732627.db2.gz QSBPSCMWDJAZKS-BXUZGUMPSA-N 1 0 393.285 2.200 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+](C)CC ZINC000411244752 532751026 /nfs/dbraw/zinc/75/10/26/532751026.db2.gz NOVCJKZPPDVUOL-UHFFFAOYSA-N 1 0 384.274 2.020 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302066972 532765650 /nfs/dbraw/zinc/76/56/50/532765650.db2.gz AYOJQARYDIUBFO-UHFFFAOYSA-N 1 0 379.302 2.311 20 30 GEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccc(C#N)c1Br ZINC000451799461 532769942 /nfs/dbraw/zinc/76/99/42/532769942.db2.gz XDMSAAZMLJJTCB-UHFFFAOYSA-N 1 0 381.318 2.276 20 30 GEEDRO Cn1ccnc1[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000510436125 532773068 /nfs/dbraw/zinc/77/30/68/532773068.db2.gz OKIYENMMKAEWJU-CQSZACIVSA-N 1 0 395.282 2.484 20 30 GEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000328752935 532797019 /nfs/dbraw/zinc/79/70/19/532797019.db2.gz DDHIENWMTDIRNZ-HNNXBMFYSA-N 1 0 392.301 2.185 20 30 GEEDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329787379 532811215 /nfs/dbraw/zinc/81/12/15/532811215.db2.gz RBSKIXBHOGQHIL-OAHLLOKOSA-N 1 0 385.555 2.041 20 30 GEEDRO C[N@H+]1CC=C(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000329213694 532804183 /nfs/dbraw/zinc/80/41/83/532804183.db2.gz JWEJRWWJVQWBFJ-UHFFFAOYSA-N 1 0 383.539 2.489 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329284543 532804801 /nfs/dbraw/zinc/80/48/01/532804801.db2.gz GCDSSHZINDTSPZ-CYBMUJFWSA-N 1 0 395.301 2.436 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000331166431 532834538 /nfs/dbraw/zinc/83/45/38/532834538.db2.gz GWLXKYUNBBUCKZ-HUUCEWRRSA-N 1 0 386.315 2.271 20 30 GEEDRO C[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000331199434 532835753 /nfs/dbraw/zinc/83/57/53/532835753.db2.gz PFPCXWXALNZWHM-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414918210 532836315 /nfs/dbraw/zinc/83/63/15/532836315.db2.gz YJHUJZSANCCCFJ-ZDUSSCGKSA-N 1 0 376.511 2.807 20 30 GEEDRO C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CC(C)(C)O ZINC000331289723 532837129 /nfs/dbraw/zinc/83/71/29/532837129.db2.gz AXGMKTVPJRNYES-GFCCVEGCSA-N 1 0 380.286 2.238 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000288760899 532837730 /nfs/dbraw/zinc/83/77/30/532837730.db2.gz KXETVQRXWAYFJB-GWCFXTLKSA-N 1 0 391.269 2.001 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000415304829 532840670 /nfs/dbraw/zinc/84/06/70/532840670.db2.gz GJDCEGDOFFJMTI-CYBMUJFWSA-N 1 0 375.782 2.169 20 30 GEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000009917540 209162499 /nfs/dbraw/zinc/16/24/99/209162499.db2.gz NTQVDQICHUKCKP-UHFFFAOYSA-N 1 0 387.505 2.143 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000415393958 532843975 /nfs/dbraw/zinc/84/39/75/532843975.db2.gz LRZKEFVMUKDMRZ-LBPRGKRZSA-N 1 0 396.285 2.020 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415522357 532848832 /nfs/dbraw/zinc/84/88/32/532848832.db2.gz MPEKVTFICJJSQL-NEPJUHHUSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415693871 532853927 /nfs/dbraw/zinc/85/39/27/532853927.db2.gz QLSKNPZMGAYAQY-KRWDZBQOSA-N 1 0 396.285 2.150 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000416366029 532872067 /nfs/dbraw/zinc/87/20/67/532872067.db2.gz BPPGTFMGTISFBT-KGLIPLIRSA-N 1 0 384.299 2.226 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000363736498 532900697 /nfs/dbraw/zinc/90/06/97/532900697.db2.gz HINPCYFZXVTGAF-KBMXLJTQSA-N 1 0 383.901 2.084 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292064875 532912395 /nfs/dbraw/zinc/91/23/95/532912395.db2.gz PDFJQCISLBWJBB-HNNXBMFYSA-N 1 0 384.299 2.037 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000293139337 532922591 /nfs/dbraw/zinc/92/25/91/532922591.db2.gz VILAGMXEVPPXNP-HUUCEWRRSA-N 1 0 391.269 2.002 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000293139330 532922708 /nfs/dbraw/zinc/92/27/08/532922708.db2.gz VILAGMXEVPPXNP-CABCVRRESA-N 1 0 391.269 2.002 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293644358 532929896 /nfs/dbraw/zinc/92/98/96/532929896.db2.gz DOVXEXQGKMSNSE-GFCCVEGCSA-N 1 0 398.301 2.412 20 30 GEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294423068 532939038 /nfs/dbraw/zinc/93/90/38/532939038.db2.gz UJIWHLITYXWXJC-UHFFFAOYSA-N 1 0 395.301 2.450 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)s1 ZINC000369842355 532941123 /nfs/dbraw/zinc/94/11/23/532941123.db2.gz UIHGWJDPFYZBPR-JJXSEGSLSA-N 1 0 383.539 2.164 20 30 GEEDRO CN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)S(=O)(=O)c1cccs1 ZINC000369842201 532941139 /nfs/dbraw/zinc/94/11/39/532941139.db2.gz SVXQMXOHEODKHV-QXSJWSMHSA-N 1 0 383.539 2.198 20 30 GEEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000371732488 532949537 /nfs/dbraw/zinc/94/95/37/532949537.db2.gz ILVGZKBRBHTTQD-ZBFHGGJFSA-N 1 0 385.555 2.031 20 30 GEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737727197 599483311 /nfs/dbraw/zinc/48/33/11/599483311.db2.gz FZBYQWIMKPCOAC-UHFFFAOYSA-N 1 0 390.476 2.409 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000819701324 599633383 /nfs/dbraw/zinc/63/33/83/599633383.db2.gz CLQGVFQPGNDULX-UHFFFAOYSA-N 1 0 378.358 2.169 20 30 GEEDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000829780035 601301116 /nfs/dbraw/zinc/30/11/16/601301116.db2.gz AJEAXVCWUKHEDW-HXUWFJFHSA-N 1 0 379.464 2.011 20 30 GEEDRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000826243977 607673538 /nfs/dbraw/zinc/67/35/38/607673538.db2.gz CHVCYGHASSJZLD-UHFFFAOYSA-N 1 0 389.463 2.251 20 30 GEEDRO CCOCC[C@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681091 649951676 /nfs/dbraw/zinc/95/16/76/649951676.db2.gz SJRPGOOXJYXQOH-ROUUACIJSA-N 1 0 396.329 2.419 20 30 GEEDRO N#CCC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381702 608555811 /nfs/dbraw/zinc/55/58/11/608555811.db2.gz VPUDVPDTSKWIOX-PKOBYXMFSA-N 1 0 378.436 2.241 20 30 GEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449858840 650053874 /nfs/dbraw/zinc/05/38/74/650053874.db2.gz FTKBIGOPUCXRGY-JSGCOSHPSA-N 1 0 378.270 2.395 20 30 GEEDRO C[NH+](C)[C@]1(CNC(=O)COc2cccc(Br)c2C#N)CCSC1 ZINC000450041385 650058914 /nfs/dbraw/zinc/05/89/14/650058914.db2.gz JQDOLTSLNBQXTG-INIZCTEOSA-N 1 0 398.326 2.253 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000450896251 650074886 /nfs/dbraw/zinc/07/48/86/650074886.db2.gz ZTSDHNBMWBYRPJ-OAHLLOKOSA-N 1 0 377.286 2.111 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000453644088 650211834 /nfs/dbraw/zinc/21/18/34/650211834.db2.gz QFHXGSCERAQLDJ-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC000455450559 650304242 /nfs/dbraw/zinc/30/42/42/650304242.db2.gz CUQPTVFPOPLGEX-AWEZNQCLSA-N 1 0 381.274 2.289 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503480569 650418291 /nfs/dbraw/zinc/41/82/91/650418291.db2.gz XRHNJHKDGRWCKN-OAHLLOKOSA-N 1 0 385.917 2.333 20 30 GEEDRO CCc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000460947310 650448536 /nfs/dbraw/zinc/44/85/36/650448536.db2.gz QUZVDYSJJANLTA-UHFFFAOYSA-N 1 0 378.523 2.330 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000514719522 650577661 /nfs/dbraw/zinc/57/76/61/650577661.db2.gz GDGTURWGOUZFEV-UHFFFAOYSA-N 1 0 396.285 2.068 20 30 GEEDRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Cl ZINC000478167612 650583585 /nfs/dbraw/zinc/58/35/85/650583585.db2.gz BHSJSZUMFZNVMM-UHFFFAOYSA-N 1 0 376.869 2.426 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000515367486 650592544 /nfs/dbraw/zinc/59/25/44/650592544.db2.gz UXIFIVBHBNGQND-SNVBAGLBSA-N 1 0 390.278 2.080 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000517018743 650601656 /nfs/dbraw/zinc/60/16/56/650601656.db2.gz NIVSELARBQLSEZ-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1cccc(CO)c1 ZINC000022733855 642409819 /nfs/dbraw/zinc/40/98/19/642409819.db2.gz AYXLHHRVSHNWGA-UHFFFAOYSA-O 1 0 380.287 2.387 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CC[NH+](C)CC1 ZINC000031224338 642479424 /nfs/dbraw/zinc/47/94/24/642479424.db2.gz UCRDPQSUOBWGFU-UHFFFAOYSA-N 1 0 396.285 2.309 20 30 GEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000125162825 643701600 /nfs/dbraw/zinc/70/16/00/643701600.db2.gz HWAOHOUFOHVGNQ-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000125302434 643704985 /nfs/dbraw/zinc/70/49/85/643704985.db2.gz LWNKPYOSZBXSSK-MRXNPFEDSA-N 1 0 380.286 2.394 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127849816 643787519 /nfs/dbraw/zinc/78/75/19/643787519.db2.gz KZVPGGWZCBKLBQ-KRWDZBQOSA-N 1 0 393.329 2.500 20 30 GEEDRO C[C@@H](NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000133854564 643898506 /nfs/dbraw/zinc/89/85/06/643898506.db2.gz IVHIEUKVEDKIBX-MNOVXSKESA-N 1 0 393.340 2.240 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000499402690 650882330 /nfs/dbraw/zinc/88/23/30/650882330.db2.gz BBEXUGRCFUMOEF-LLVKDONJSA-N 1 0 395.301 2.352 20 30 GEEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261780392 645599359 /nfs/dbraw/zinc/59/93/59/645599359.db2.gz PFIWFCBURUIASB-ZDUSSCGKSA-N 1 0 398.330 2.393 20 30 GEEDRO C[NH+]=C(NC[C@@](C)(O)c1ccco1)N(C)Cc1cc(Br)cn1C ZINC000261849449 645605119 /nfs/dbraw/zinc/60/51/19/645605119.db2.gz XVAITZJSLRKBLN-MRXNPFEDSA-N 1 0 383.290 2.296 20 30 GEEDRO C[NH+]=C(NCc1ccccc1Br)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261936500 645613256 /nfs/dbraw/zinc/61/32/56/645613256.db2.gz CMMURHAOFPKGBH-UHFFFAOYSA-N 1 0 388.331 2.034 20 30 GEEDRO C[NH+]=C(NCc1ccc(Br)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262024096 645615382 /nfs/dbraw/zinc/61/53/82/645615382.db2.gz ZHFLLSPEIRLNFR-UHFFFAOYSA-N 1 0 388.331 2.034 20 30 GEEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262246468 645622100 /nfs/dbraw/zinc/62/21/00/645622100.db2.gz OUDNRBSVWMYOEN-BFHYXJOUSA-N 1 0 384.571 2.419 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262585518 645638327 /nfs/dbraw/zinc/63/83/27/645638327.db2.gz SEKUVPMVSWCMHO-LBPRGKRZSA-N 1 0 378.325 2.435 20 30 GEEDRO CC[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CCCO1 ZINC000262603064 645640010 /nfs/dbraw/zinc/64/00/10/645640010.db2.gz ZBLRXBOKQJXBHE-LBPRGKRZSA-N 1 0 384.274 2.412 20 30 GEEDRO C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262826515 645646663 /nfs/dbraw/zinc/64/66/63/645646663.db2.gz UHLQEDDWOMFUPJ-GFCCVEGCSA-N 1 0 393.289 2.084 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NCc2c(Br)cncc2Br)CCO1 ZINC000263081094 645652179 /nfs/dbraw/zinc/65/21/79/645652179.db2.gz HRCPJJOZRPSMLF-QMMMGPOBSA-N 1 0 392.095 2.142 20 30 GEEDRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Br ZINC000273218563 646310607 /nfs/dbraw/zinc/31/06/07/646310607.db2.gz MPBGSKJDVSFYMP-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716319 646542594 /nfs/dbraw/zinc/54/25/94/646542594.db2.gz IGWBFDKHZCPLOG-XJKSGUPXSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000278877024 646560049 /nfs/dbraw/zinc/56/00/49/646560049.db2.gz SHEJFXCQLFROCG-DGCLKSJQSA-N 1 0 386.315 2.424 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278937456 646564333 /nfs/dbraw/zinc/56/43/33/646564333.db2.gz XBWOXHGGVGHXQF-QGZVFWFLSA-N 1 0 390.325 2.489 20 30 GEEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000283669395 646826390 /nfs/dbraw/zinc/82/63/90/646826390.db2.gz ZVWPZJRMEMOHSZ-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO CS[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1[NH+](C)C ZINC000299683592 647273769 /nfs/dbraw/zinc/27/37/69/647273769.db2.gz NGONNMXWPCDRAK-GOEBONIOSA-N 1 0 378.567 2.414 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000321727723 647293617 /nfs/dbraw/zinc/29/36/17/647293617.db2.gz ZGEHCBLSHPSEFG-SJORKVTESA-N 1 0 379.298 2.414 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000321727720 647293795 /nfs/dbraw/zinc/29/37/95/647293795.db2.gz ZGEHCBLSHPSEFG-IRXDYDNUSA-N 1 0 379.298 2.414 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000330538104 647343501 /nfs/dbraw/zinc/34/35/01/647343501.db2.gz KXUVGXXUOUKNHB-RYUDHWBXSA-N 1 0 386.290 2.390 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCCC1 ZINC000331273502 647377097 /nfs/dbraw/zinc/37/70/97/647377097.db2.gz CRVFGDLYHOUJCV-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364922740 647649070 /nfs/dbraw/zinc/64/90/70/647649070.db2.gz YBICIZGRJBSXFW-ZBFHGGJFSA-N 1 0 379.844 2.466 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408112794 647927501 /nfs/dbraw/zinc/92/75/01/647927501.db2.gz NYTPNNUFDLPLLL-KGLIPLIRSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000419639182 648358959 /nfs/dbraw/zinc/35/89/59/648358959.db2.gz GRYMAFAOKTWJLV-TZMCWYRMSA-N 1 0 391.269 2.002 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1Br ZINC000419656943 648360123 /nfs/dbraw/zinc/36/01/23/648360123.db2.gz UTCYZARIDJBHMQ-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419703157 648367268 /nfs/dbraw/zinc/36/72/68/648367268.db2.gz VUGXWWLXQDSWKS-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419704679 648367683 /nfs/dbraw/zinc/36/76/83/648367683.db2.gz HYFADWHGKNNNGT-ZDUSSCGKSA-N 1 0 393.285 2.202 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420030639 648397531 /nfs/dbraw/zinc/39/75/31/648397531.db2.gz GOYHGDIZERTVLD-YPMHNXCESA-N 1 0 385.917 2.145 20 30 GEEDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000420749770 648449988 /nfs/dbraw/zinc/44/99/88/648449988.db2.gz SFRXRMAEWBPBNP-UHFFFAOYSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C[NH3+] ZINC000422554580 648558828 /nfs/dbraw/zinc/55/88/28/648558828.db2.gz MRWHSTDSZHJZFQ-IJLUTSLNSA-N 1 0 386.315 2.315 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423118710 648582504 /nfs/dbraw/zinc/58/25/04/648582504.db2.gz BZFNROVOVJQFLR-UHFFFAOYSA-N 1 0 396.264 2.357 20 30 GEEDRO COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Br)cc1 ZINC000424088466 648611900 /nfs/dbraw/zinc/61/19/00/648611900.db2.gz JGOZJPHUBZVRCP-KBPBESRZSA-N 1 0 382.258 2.191 20 30 GEEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093947 648612529 /nfs/dbraw/zinc/61/25/29/648612529.db2.gz SNZSKFVEFKHPFV-GXFFZTMASA-N 1 0 382.258 2.419 20 30 GEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425737343 648691869 /nfs/dbraw/zinc/69/18/69/648691869.db2.gz GAMJDRDRHILADE-NSHDSACASA-N 1 0 395.301 2.414 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550671633 651114034 /nfs/dbraw/zinc/11/40/34/651114034.db2.gz JVPXCUFVCJIXHO-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(C)C ZINC000559628464 651299371 /nfs/dbraw/zinc/29/93/71/651299371.db2.gz IVKUYJBKMZDXPI-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000603241748 651473642 /nfs/dbraw/zinc/47/36/42/651473642.db2.gz NFCBTISOUDYJOG-MRXNPFEDSA-N 1 0 376.258 2.387 20 30 GEEDRO C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000603344226 651482654 /nfs/dbraw/zinc/48/26/54/651482654.db2.gz NZLWVZNURBWSOC-DLBZAZTESA-N 1 0 381.567 2.167 20 30 GEEDRO N#Cc1ccc(NC(=S)NCCC[NH+]2CCC(C(N)=O)CC2)cc1Cl ZINC000726465143 651494082 /nfs/dbraw/zinc/49/40/82/651494082.db2.gz KBJSQNUATOHFLV-UHFFFAOYSA-N 1 0 379.917 2.085 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(I)cc1 ZINC000729809593 651579932 /nfs/dbraw/zinc/57/99/32/651579932.db2.gz MONORVQBVSEAME-AWEZNQCLSA-N 1 0 399.228 2.311 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000729811703 651580130 /nfs/dbraw/zinc/58/01/30/651580130.db2.gz AVEMPGJEJIQHBB-LBPRGKRZSA-N 1 0 399.310 2.223 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000729812114 651580472 /nfs/dbraw/zinc/58/04/72/651580472.db2.gz LYYKAOUYBWMPCE-ZDUSSCGKSA-N 1 0 380.238 2.475 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000610429138 651660947 /nfs/dbraw/zinc/66/09/47/651660947.db2.gz WHVWKSBXDQTVGZ-INIZCTEOSA-N 1 0 379.302 2.158 20 30 GEEDRO N#Cc1cc(F)c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Br ZINC000569867221 651730220 /nfs/dbraw/zinc/73/02/20/651730220.db2.gz GESWMJJXHFPRGV-UHFFFAOYSA-N 1 0 395.276 2.204 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000734244926 651740707 /nfs/dbraw/zinc/74/07/07/651740707.db2.gz ZGEHBLUDPDPKDU-OAHLLOKOSA-N 1 0 383.901 2.133 20 30 GEEDRO CCn1c(C[NH2+]C[C@@H](O)CN(C)CCC#N)nc2cc(Br)ccc21 ZINC000572993070 651927974 /nfs/dbraw/zinc/92/79/74/651927974.db2.gz MEUKNUXVCVWTCZ-CQSZACIVSA-N 1 0 394.317 2.115 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000743489913 652021303 /nfs/dbraw/zinc/02/13/03/652021303.db2.gz MBDJYVMHNQEZBT-UHFFFAOYSA-N 1 0 379.254 2.395 20 30 GEEDRO COc1sc(C=NNC(=S)NCCC[NH+](C)C)cc1Br ZINC000746575883 652115205 /nfs/dbraw/zinc/11/52/05/652115205.db2.gz MBMWEJZBJGIJNP-UHFFFAOYSA-N 1 0 379.349 2.269 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc(Br)c1C#N ZINC000577949244 652231019 /nfs/dbraw/zinc/23/10/19/652231019.db2.gz BEUHMBLAMPSXFV-GFCCVEGCSA-N 1 0 393.285 2.026 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCCS2(=O)=O)cc1OC ZINC000623404663 652235000 /nfs/dbraw/zinc/23/50/00/652235000.db2.gz FQRFCXCRULWGDS-UHFFFAOYSA-N 1 0 388.917 2.429 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)cc1OC ZINC000623836005 652264228 /nfs/dbraw/zinc/26/42/28/652264228.db2.gz HFKDBVVWCWYKFS-AWEZNQCLSA-N 1 0 385.302 2.179 20 30 GEEDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1C(F)(F)F ZINC000624392323 652289499 /nfs/dbraw/zinc/28/94/99/652289499.db2.gz OVRSTPNYBDFKQO-NKWVEPMBSA-N 1 0 394.312 2.391 20 30 GEEDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000581130987 652403166 /nfs/dbraw/zinc/40/31/66/652403166.db2.gz BZDPJCOBIXRAMB-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C=CC[C@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCC[NH2+]1 ZINC000662639833 652469706 /nfs/dbraw/zinc/46/97/06/652469706.db2.gz LSMSIWWHCNGNBO-CXAGYDPISA-N 1 0 383.286 2.003 20 30 GEEDRO Cc1ncc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1C#N ZINC000583239149 652478378 /nfs/dbraw/zinc/47/83/78/652478378.db2.gz BQVVHZZJNUUUMS-QGZVFWFLSA-N 1 0 378.885 2.496 20 30 GEEDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583782172 652496996 /nfs/dbraw/zinc/49/69/96/652496996.db2.gz YEMJUTUKQMQIIW-CQSZACIVSA-N 1 0 375.416 2.481 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000588115134 652547647 /nfs/dbraw/zinc/54/76/47/652547647.db2.gz GJHCVLXKKZQQHV-GFCCVEGCSA-N 1 0 384.299 2.083 20 30 GEEDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589319898 652565707 /nfs/dbraw/zinc/56/57/07/652565707.db2.gz XYLJELVQFBOBDN-HIFRSBDPSA-N 1 0 375.416 2.385 20 30 GEEDRO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000590763051 652581346 /nfs/dbraw/zinc/58/13/46/652581346.db2.gz RHFYJILUSNLAFQ-INIZCTEOSA-N 1 0 391.313 2.107 20 30 GEEDRO CC(C)(C)[NH2+]CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592946290 652609781 /nfs/dbraw/zinc/60/97/81/652609781.db2.gz IJWUEBXSTLPZES-UHFFFAOYSA-N 1 0 379.302 2.261 20 30 GEEDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCSC1 ZINC000593504800 652623194 /nfs/dbraw/zinc/62/31/94/652623194.db2.gz ZSCOKSUCACZKRO-INIZCTEOSA-N 1 0 382.327 2.417 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000593507783 652623378 /nfs/dbraw/zinc/62/33/78/652623378.db2.gz KUKKRBPYDUWSFU-CQSZACIVSA-N 1 0 392.297 2.044 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593733470 652633995 /nfs/dbraw/zinc/63/39/95/652633995.db2.gz HKJRBDPKOLHINS-WOSRLPQWSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000593735917 652634260 /nfs/dbraw/zinc/63/42/60/652634260.db2.gz RCFMMWOMUXVZBN-OFQRWUPVSA-N 1 0 383.901 2.119 20 30 GEEDRO Cc1c(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc(Br)c1C#N ZINC000594318668 652644999 /nfs/dbraw/zinc/64/49/99/652644999.db2.gz QEIFSPYAKISECO-TXEJJXNPSA-N 1 0 393.285 2.024 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000594436155 652649161 /nfs/dbraw/zinc/64/91/61/652649161.db2.gz IUUVDEUVFYZCGM-LLVKDONJSA-N 1 0 391.278 2.423 20 30 GEEDRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436452 652649214 /nfs/dbraw/zinc/64/92/14/652649214.db2.gz JHBFDKVZGNTZAO-CYBMUJFWSA-N 1 0 381.274 2.224 20 30 GEEDRO N#Cc1cc(F)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1Br ZINC000594566127 652665514 /nfs/dbraw/zinc/66/55/14/652665514.db2.gz DHSNVUVQFPFGCV-OAHLLOKOSA-N 1 0 395.276 2.378 20 30 GEEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000668911145 652675472 /nfs/dbraw/zinc/67/54/72/652675472.db2.gz PJCHPDFHUYRPQH-GOSISDBHSA-N 1 0 397.313 2.346 20 30 GEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[NH2+]1 ZINC000595412932 652724865 /nfs/dbraw/zinc/72/48/65/652724865.db2.gz PHBYRKNIEPWIJS-ZDUSSCGKSA-N 1 0 390.278 2.078 20 30 GEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000764691507 652808790 /nfs/dbraw/zinc/80/87/90/652808790.db2.gz AYRVTXCJWJRCBF-UHFFFAOYSA-N 1 0 379.921 2.061 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000599416745 652869735 /nfs/dbraw/zinc/86/97/35/652869735.db2.gz YAFLNJUJYDWPQM-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470173 652917534 /nfs/dbraw/zinc/91/75/34/652917534.db2.gz GXXMHVZPTCVFED-IINYFYTJSA-N 1 0 381.267 2.437 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000601396678 653090934 /nfs/dbraw/zinc/09/09/34/653090934.db2.gz GONYDWDIROCBSP-CVEARBPZSA-N 1 0 383.514 2.206 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196486 653104007 /nfs/dbraw/zinc/10/40/07/653104007.db2.gz XNSNNBNJCHDWMY-SFHVURJKSA-N 1 0 394.313 2.182 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)OCc2cn3cc(Br)ccc3n2)CC1 ZINC000772114236 653139773 /nfs/dbraw/zinc/13/97/73/653139773.db2.gz MYSICDITUWLLKB-UHFFFAOYSA-N 1 0 376.254 2.485 20 30 GEEDRO C=CCN1CC[C@@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641109120 653157926 /nfs/dbraw/zinc/15/79/26/653157926.db2.gz PMQVLARHDKDYKT-HUUCEWRRSA-N 1 0 376.258 2.048 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807114266 653184793 /nfs/dbraw/zinc/18/47/93/653184793.db2.gz MNKNMPBFULDXMJ-XJKSGUPXSA-N 1 0 394.313 2.038 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641821482 653234554 /nfs/dbraw/zinc/23/45/54/653234554.db2.gz HLHVYJYNVLTAMP-UHFFFAOYSA-N 1 0 384.274 2.196 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000836425447 653351325 /nfs/dbraw/zinc/35/13/25/653351325.db2.gz BVTZGJAWDPWTSL-INIZCTEOSA-N 1 0 393.329 2.282 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)nc1C ZINC000876574652 653436549 /nfs/dbraw/zinc/43/65/49/653436549.db2.gz HWLUCKWHFACAGM-VHSXEESVSA-N 1 0 378.527 2.497 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000876966192 653456897 /nfs/dbraw/zinc/45/68/97/653456897.db2.gz QVZVFCSHWUFUAO-NEPJUHHUSA-N 1 0 375.650 2.249 20 30 GEEDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877504986 653603689 /nfs/dbraw/zinc/60/36/89/653603689.db2.gz VZHPGZKVXXPWEJ-CYBMUJFWSA-N 1 0 378.885 2.453 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000815106210 653652436 /nfs/dbraw/zinc/65/24/36/653652436.db2.gz QEVAVGOHHWHKCE-CYBMUJFWSA-N 1 0 393.203 2.230 20 30 GEEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000879541707 653671943 /nfs/dbraw/zinc/67/19/43/653671943.db2.gz BPBCCOHBEQFZQN-ZDUSSCGKSA-N 1 0 381.274 2.287 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)CC[C@H]2CCCC[N@H+]2C)c(=O)c1C#N ZINC000816410564 653683861 /nfs/dbraw/zinc/68/38/61/653683861.db2.gz DMCGQMLECDXLRU-CYBMUJFWSA-N 1 0 395.301 2.434 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Br)c(F)c1F ZINC000863093131 653702210 /nfs/dbraw/zinc/70/22/10/653702210.db2.gz YXRNMQJRWVWDHB-UHFFFAOYSA-N 1 0 379.274 2.477 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000840952101 653703417 /nfs/dbraw/zinc/70/34/17/653703417.db2.gz RHDADWXGSIECIA-UHFFFAOYSA-N 1 0 386.901 2.123 20 30 GEEDRO CCOc1cc(Br)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000841082423 653706172 /nfs/dbraw/zinc/70/61/72/653706172.db2.gz KXZDDWYEBVJUNY-ZWNOBZJWSA-N 1 0 397.273 2.480 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145840 653707676 /nfs/dbraw/zinc/70/76/76/653707676.db2.gz WJTYKTVNQUVPPA-WRWORJQWSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199692 653710395 /nfs/dbraw/zinc/71/03/95/653710395.db2.gz MWSDSZKFWXFQAN-QMTHXVAHSA-N 1 0 379.251 2.471 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251385 653712441 /nfs/dbraw/zinc/71/24/41/653712441.db2.gz UGCGXYGMYQOAIF-RDDDGLTNSA-N 1 0 390.612 2.178 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000818592831 653734244 /nfs/dbraw/zinc/73/42/44/653734244.db2.gz BCAWMGWCBCFPEI-KRWDZBQOSA-N 1 0 394.313 2.088 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC2(O)CC[NH+](C)CC2)s1 ZINC000819337721 653749446 /nfs/dbraw/zinc/74/94/46/653749446.db2.gz YYXSFDRTXVRZSO-UHFFFAOYSA-N 1 0 389.974 2.412 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000819642849 653755390 /nfs/dbraw/zinc/75/53/90/653755390.db2.gz OYWYIGSNYXHVLJ-JKSUJKDBSA-N 1 0 395.297 2.282 20 30 GEEDRO Cn1c(Sc2ncc(C#N)cc2Br)nnc1C1CC[NH2+]CC1 ZINC000881993699 653756004 /nfs/dbraw/zinc/75/60/04/653756004.db2.gz YVCQXLLESCRRLZ-UHFFFAOYSA-N 1 0 379.287 2.462 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000788599517 653760371 /nfs/dbraw/zinc/76/03/71/653760371.db2.gz CGFZDYQYMSFYNQ-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO C#CCN(C(=O)[C@H](O)c1cnc[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825768 653776323 /nfs/dbraw/zinc/77/63/23/653776323.db2.gz GJYIIQVBOVOEAQ-GOEBONIOSA-N 1 0 390.237 2.191 20 30 GEEDRO COCC[NH+](CCOC)C1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882351886 653777534 /nfs/dbraw/zinc/77/75/34/653777534.db2.gz FAOBQRPDFBBARW-UHFFFAOYSA-N 1 0 397.317 2.279 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000820612237 653778255 /nfs/dbraw/zinc/77/82/55/653778255.db2.gz SNMYIGIVNNBVNK-IRXDYDNUSA-N 1 0 394.313 2.269 20 30 GEEDRO C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790027031 653784902 /nfs/dbraw/zinc/78/49/02/653784902.db2.gz QBDLMHIXSMLTKR-BNOWGMLFSA-N 1 0 380.539 2.156 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(I)c1)C2 ZINC000884047496 653861243 /nfs/dbraw/zinc/86/12/43/653861243.db2.gz XCQLFMBWZSBPFL-VTWZXRTESA-N 1 0 381.217 2.369 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1ccccc1Br ZINC000884155543 653866425 /nfs/dbraw/zinc/86/64/25/653866425.db2.gz FFOJYLFNRKMHML-FMHYQEOESA-N 1 0 392.297 2.472 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCOc3cccc(Br)c3C1)C2 ZINC000884391143 653875080 /nfs/dbraw/zinc/87/50/80/653875080.db2.gz RQZVRXNPLYLFJW-YNAXMUEKSA-N 1 0 390.281 2.309 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000884955265 653897788 /nfs/dbraw/zinc/89/77/88/653897788.db2.gz RUVFJFCZSPIXKH-CHWSQXEVSA-N 1 0 384.299 2.226 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)ccc(Br)c1C#N ZINC000824519277 653899912 /nfs/dbraw/zinc/89/99/12/653899912.db2.gz ZLXZAZDSMMNCJY-LLVKDONJSA-N 1 0 393.285 2.168 20 30 GEEDRO C#CCN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1CC[NH+](C)CC1 ZINC000886577347 653992726 /nfs/dbraw/zinc/99/27/26/653992726.db2.gz FRGOFQXGLWEEAX-KRWDZBQOSA-N 1 0 377.282 2.309 20 30 GEEDRO C#CCN(C(=O)c1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000886589588 653992872 /nfs/dbraw/zinc/99/28/72/653992872.db2.gz ZOGBDYRNRHZLHV-UHFFFAOYSA-N 1 0 382.245 2.461 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000900464472 654065524 /nfs/dbraw/zinc/06/55/24/654065524.db2.gz NMGXCWJSLBQHJU-AWEZNQCLSA-N 1 0 376.258 2.202 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C23CC[NH+](CC2)C3)nc1C ZINC000900632106 654073678 /nfs/dbraw/zinc/07/36/78/654073678.db2.gz GFELDCQXRFZKLN-UHFFFAOYSA-N 1 0 376.511 2.219 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000850459857 654077808 /nfs/dbraw/zinc/07/78/08/654077808.db2.gz IHBZRVUGSPFIDG-AWEZNQCLSA-N 1 0 391.274 2.469 20 30 GEEDRO N#CCCNC(=O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830514785 654123456 /nfs/dbraw/zinc/12/34/56/654123456.db2.gz LROWNOOMXDLMJK-CQSZACIVSA-N 1 0 397.260 2.185 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccccc1C#N ZINC000901729830 654144404 /nfs/dbraw/zinc/14/44/04/654144404.db2.gz USMIGLQWSZOAFV-AAEUAGOBSA-N 1 0 388.269 2.449 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccccc1C#N ZINC000901729842 654144489 /nfs/dbraw/zinc/14/44/89/654144489.db2.gz USMIGLQWSZOAFV-WCQYABFASA-N 1 0 388.269 2.449 20 30 GEEDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(C#N)ccn1 ZINC000902800469 654198539 /nfs/dbraw/zinc/19/85/39/654198539.db2.gz OMHBIOGAEZJOFX-LLVKDONJSA-N 1 0 376.404 2.165 20 30 GEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930238 654212538 /nfs/dbraw/zinc/21/25/38/654212538.db2.gz KBKWPWIRUJFHQC-OLZOCXBDSA-N 1 0 381.274 2.423 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000903494455 654241404 /nfs/dbraw/zinc/24/14/04/654241404.db2.gz IISSQRXODXXITJ-ZBINZKHDSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Br ZINC000903506378 654242796 /nfs/dbraw/zinc/24/27/96/654242796.db2.gz ULXKCOMQHNJAQI-WFASDCNBSA-N 1 0 384.299 2.070 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578006 654260432 /nfs/dbraw/zinc/26/04/32/654260432.db2.gz AOOISTUDHGPGEN-CRCLSJGQSA-N 1 0 398.275 2.282 20 30 GEEDRO C#C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000853116552 654280144 /nfs/dbraw/zinc/28/01/44/654280144.db2.gz XIPWFYYFLMSLPP-MRXNPFEDSA-N 1 0 386.311 2.241 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715744 654281089 /nfs/dbraw/zinc/28/10/89/654281089.db2.gz MCUMUMVSDIYTKY-QWHCGFSZSA-N 1 0 375.416 2.001 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493496 654329743 /nfs/dbraw/zinc/32/97/43/654329743.db2.gz DTYDUELABCDSFN-LDYMZIIASA-N 1 0 397.323 2.404 20 30 GEEDRO C[C@](O)(C[NH2+]CCNC(=O)c1c(F)cccc1F)C(F)(F)C(F)(F)F ZINC000905109518 654332654 /nfs/dbraw/zinc/33/26/54/654332654.db2.gz HFAPTSVHUMPRKF-LBPRGKRZSA-N 1 0 376.272 2.233 20 30 GEEDRO C[C@@](O)(C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905352619 654352698 /nfs/dbraw/zinc/35/26/98/654352698.db2.gz YAAYMMNZCYWIDR-PRHODGIISA-N 1 0 379.272 2.243 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905588051 654368202 /nfs/dbraw/zinc/36/82/02/654368202.db2.gz STYKMIJRQFWASA-OAHLLOKOSA-N 1 0 391.269 2.036 20 30 GEEDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000835297991 654378370 /nfs/dbraw/zinc/37/83/70/654378370.db2.gz RDIVPEXYVKZZGW-OAHLLOKOSA-N 1 0 397.269 2.352 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000923574038 654469827 /nfs/dbraw/zinc/46/98/27/654469827.db2.gz COZWCQVOTVBNNE-ZDUSSCGKSA-N 1 0 388.265 2.118 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907199385 654519820 /nfs/dbraw/zinc/51/98/20/654519820.db2.gz XHXFCXAVWDKVHH-OAHLLOKOSA-N 1 0 384.299 2.037 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)C2)s1 ZINC000907344187 654533691 /nfs/dbraw/zinc/53/36/91/654533691.db2.gz CVUSJUSIKSHCJW-GOEBONIOSA-N 1 0 384.571 2.147 20 30 GEEDRO C#CC[N@H+](C)CCCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000925305596 654540692 /nfs/dbraw/zinc/54/06/92/654540692.db2.gz CSWGGZJUTLXSEF-UHFFFAOYSA-N 1 0 378.270 2.168 20 30 GEEDRO Cc1c(C)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1I ZINC000926204422 654563290 /nfs/dbraw/zinc/56/32/90/654563290.db2.gz UXCNMNCBYUDQKO-ZWNOBZJWSA-N 1 0 384.221 2.141 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(I)ccc2C)CC1 ZINC000928654606 654654684 /nfs/dbraw/zinc/65/46/84/654654684.db2.gz JCHUBZPGBSYZQB-UHFFFAOYSA-N 1 0 382.245 2.427 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(C)c2I)CC1 ZINC000928657278 654654864 /nfs/dbraw/zinc/65/48/64/654654864.db2.gz VBUYFVUVVCSLPT-UHFFFAOYSA-N 1 0 382.245 2.427 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000928654149 654654886 /nfs/dbraw/zinc/65/48/86/654654886.db2.gz PDLKNEYJPCYWGP-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(F)ccc2I)CC1 ZINC000928658722 654655155 /nfs/dbraw/zinc/65/51/55/654655155.db2.gz ZUJDPMGODIAOOS-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000909362940 654661436 /nfs/dbraw/zinc/66/14/36/654661436.db2.gz NTWXSULCXQZGKZ-CQSZACIVSA-N 1 0 387.293 2.363 20 30 GEEDRO C#CC1(O)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000931142960 654730552 /nfs/dbraw/zinc/73/05/52/654730552.db2.gz BYXJMBAKARXAHZ-ZDUSSCGKSA-N 1 0 388.689 2.302 20 30 GEEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932548093 654781043 /nfs/dbraw/zinc/78/10/43/654781043.db2.gz YYEDQIYAQHGKJX-FZMZJTMJSA-N 1 0 396.232 2.331 20 30 GEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932554828 654781858 /nfs/dbraw/zinc/78/18/58/654781858.db2.gz ZLVSHPYWYGINTD-NSHDSACASA-N 1 0 384.221 2.379 20 30 GEEDRO FC1(F)[C@H]2C[NH+](CCN3CCOCC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941316 654794957 /nfs/dbraw/zinc/79/49/57/654794957.db2.gz AHFJNDKLDXFPDX-UWVGGRQHSA-N 1 0 382.295 2.421 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000913521538 654797030 /nfs/dbraw/zinc/79/70/30/654797030.db2.gz DCTORWPTWVZWAP-UHFFFAOYSA-N 1 0 382.245 2.004 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913516902 654797063 /nfs/dbraw/zinc/79/70/63/654797063.db2.gz LBPCHTMJXAWTIF-INIZCTEOSA-N 1 0 382.291 2.279 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000933355025 654810030 /nfs/dbraw/zinc/81/00/30/654810030.db2.gz MVNLEUURTJWLOX-SFHVURJKSA-N 1 0 397.288 2.400 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934827638 654861891 /nfs/dbraw/zinc/86/18/91/654861891.db2.gz YEIBJVIKBFPDIB-FZMZJTMJSA-N 1 0 388.249 2.215 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC001164614695 719025056 /nfs/dbraw/zinc/02/50/56/719025056.db2.gz WXYFQORXQYFSBI-UHFFFAOYSA-N 1 0 387.440 2.105 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164685596 719722802 /nfs/dbraw/zinc/72/28/02/719722802.db2.gz MNSUYILPNFHWNZ-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@@H]2CC ZINC001164699224 719821018 /nfs/dbraw/zinc/82/10/18/719821018.db2.gz GXZSZYKNUOHNPI-GCJKJVERSA-N 1 0 398.555 2.154 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001164808562 720117330 /nfs/dbraw/zinc/11/73/30/720117330.db2.gz FNGOKAFEKXSIIF-IFXJQAMLSA-N 1 0 386.887 2.058 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001164820044 720187505 /nfs/dbraw/zinc/18/75/05/720187505.db2.gz ZDJIBHLUSFPHHV-SIKLNZKXSA-N 1 0 382.508 2.211 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828430 720320189 /nfs/dbraw/zinc/32/01/89/720320189.db2.gz JLMDCEQGZVLOLB-OALUTQOASA-N 1 0 399.539 2.261 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828432 720320641 /nfs/dbraw/zinc/32/06/41/720320641.db2.gz JLMDCEQGZVLOLB-RTBURBONSA-N 1 0 399.539 2.261 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001164830323 720333447 /nfs/dbraw/zinc/33/34/47/720333447.db2.gz POBJSGLFBFURCS-OALUTQOASA-N 1 0 392.507 2.346 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001164830786 720335399 /nfs/dbraw/zinc/33/53/99/720335399.db2.gz PXTRLVWAWSOMTL-UXHICEINSA-N 1 0 392.507 2.346 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCC3)CC1 ZINC001164821455 720338725 /nfs/dbraw/zinc/33/87/25/720338725.db2.gz AIQGYRJMKIQDTB-RTWAWAEBSA-N 1 0 393.535 2.353 20 30 GEEDRO Cc1ccc(CC#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826519 720342595 /nfs/dbraw/zinc/34/25/95/720342595.db2.gz KFHJECXCCUOZKS-UXHICEINSA-N 1 0 381.524 2.368 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C#N)cc3C#N)CC[C@@H]21 ZINC001164841288 720524124 /nfs/dbraw/zinc/52/41/24/720524124.db2.gz YAZYLVZSMSQMSE-AABGKKOBSA-N 1 0 375.480 2.399 20 30 GEEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742808 720801604 /nfs/dbraw/zinc/80/16/04/720801604.db2.gz FCDAQJUHTPGXHU-NWDGAFQWSA-N 1 0 391.262 2.392 20 30 GEEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164748962 720802079 /nfs/dbraw/zinc/80/20/79/720802079.db2.gz SDJMFALRUMDAKR-RBUKOAKNSA-N 1 0 393.567 2.442 20 30 GEEDRO Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C#N ZINC001164745112 720826360 /nfs/dbraw/zinc/82/63/60/720826360.db2.gz WJGWEBJRDZQHQZ-QWFCFKBJSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748653 720854978 /nfs/dbraw/zinc/85/49/78/720854978.db2.gz LGZKLNFJVZSSAH-VAMGGRTRSA-N 1 0 377.496 2.233 20 30 GEEDRO N#Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164865774 721086264 /nfs/dbraw/zinc/08/62/64/721086264.db2.gz PLAGITLFKMTQLQ-MSOLQXFVSA-N 1 0 394.866 2.353 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890747 721434985 /nfs/dbraw/zinc/43/49/85/721434985.db2.gz DXOABBJFUNCWJL-REWPJTCUSA-N 1 0 395.551 2.207 20 30 GEEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1CC#N ZINC001164889503 721438596 /nfs/dbraw/zinc/43/85/96/721438596.db2.gz BEPDDTKVIOIEAX-RBBKRZOGSA-N 1 0 383.540 2.222 20 30 GEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc12 ZINC001164902784 721546528 /nfs/dbraw/zinc/54/65/28/721546528.db2.gz BFKHQJFVMVOQMJ-DOTOQJQBSA-N 1 0 378.411 2.311 20 30 GEEDRO COc1cc(C#N)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164798565 721558098 /nfs/dbraw/zinc/55/80/98/721558098.db2.gz BLCPYPQAWOCBRU-SVFBPWRDSA-N 1 0 379.464 2.225 20 30 GEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(CC#N)cc2Cl)CC1 ZINC001165013092 721747758 /nfs/dbraw/zinc/74/77/58/721747758.db2.gz UDZWHKUBDLOEKC-UHFFFAOYSA-N 1 0 375.904 2.324 20 30 GEEDRO N#Cc1c2c(cnc1N1CCN(CCOc3ccccc3)CC1)C[NH2+]CCC2 ZINC001165042391 721952226 /nfs/dbraw/zinc/95/22/26/721952226.db2.gz MURRTFJSJHTGKX-UHFFFAOYSA-N 1 0 377.492 2.190 20 30 GEEDRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C#N)n1 ZINC001164961684 722058706 /nfs/dbraw/zinc/05/87/06/722058706.db2.gz OBSTWFGILWGSCM-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO N#Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984767 722106315 /nfs/dbraw/zinc/10/63/15/722106315.db2.gz UXNNFDOZQFBFSH-NVXWUHKLSA-N 1 0 384.871 2.124 20 30 GEEDRO N#Cc1cc(Cl)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984358 722107046 /nfs/dbraw/zinc/10/70/46/722107046.db2.gz SSBLVPGNVXVCKC-WBVHZDCISA-N 1 0 384.871 2.124 20 30 GEEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1cccc(N3CC[NH+](C)CC3)n1)CCO2 ZINC001164974614 722168688 /nfs/dbraw/zinc/16/86/88/722168688.db2.gz GKYKACFOLHHINW-DENIHFKCSA-N 1 0 386.540 2.412 20 30 GEEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000155239239 531668421 /nfs/dbraw/zinc/66/84/21/531668421.db2.gz COTIKVHMZBYOID-FZMZJTMJSA-N 1 0 386.315 2.424 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CCc2sccc2C1 ZINC000171418092 531905709 /nfs/dbraw/zinc/90/57/09/531905709.db2.gz BUTWKRVHAZZICW-LBPRGKRZSA-N 1 0 379.482 2.484 20 30 GEEDRO CC(C)NC(=O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120989972 532006380 /nfs/dbraw/zinc/00/63/80/532006380.db2.gz UGSZMCOVGWXWTA-INIZCTEOSA-N 1 0 379.302 2.156 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000122075339 532056669 /nfs/dbraw/zinc/05/66/69/532056669.db2.gz JEIYHZRBLXFOIY-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000122110310 532058712 /nfs/dbraw/zinc/05/87/12/532058712.db2.gz XCDDUFGJKZNKGB-UHFFFAOYSA-N 1 0 399.264 2.221 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000122156999 532060033 /nfs/dbraw/zinc/06/00/33/532060033.db2.gz AZMFQOABRPYKPT-UHFFFAOYSA-N 1 0 381.274 2.082 20 30 GEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc(C#N)c(Br)cn1 ZINC000603287155 532088532 /nfs/dbraw/zinc/08/85/32/532088532.db2.gz XRYIWAQIVUOEMC-AWEZNQCLSA-N 1 0 380.290 2.070 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180080563 532255627 /nfs/dbraw/zinc/25/56/27/532255627.db2.gz YFKLZBSSNFQAFJ-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000137044962 532288556 /nfs/dbraw/zinc/28/85/56/532288556.db2.gz NNKKRQHBSLKXKW-UHFFFAOYSA-N 1 0 385.295 2.417 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182742203 532317157 /nfs/dbraw/zinc/31/71/57/532317157.db2.gz KJTJEARLCMJRTO-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO COc1nc(C)c(Br)cc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000188187663 532347110 /nfs/dbraw/zinc/34/71/10/532347110.db2.gz AGBFLLUNDBVHOG-UHFFFAOYSA-N 1 0 383.290 2.469 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191822276 532368524 /nfs/dbraw/zinc/36/85/24/532368524.db2.gz ABNXWCHRQYIZIK-CYBMUJFWSA-N 1 0 380.286 2.390 20 30 GEEDRO CN(c1ncc(Br)cc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000590690250 532381883 /nfs/dbraw/zinc/38/18/83/532381883.db2.gz XJBRYLSLGKDOCO-INIZCTEOSA-N 1 0 378.318 2.320 20 30 GEEDRO C[C@@H]1CC[N@H+](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767972 532462223 /nfs/dbraw/zinc/46/22/23/532462223.db2.gz CHVQRKDAIVMKHV-CYBMUJFWSA-N 1 0 391.313 2.215 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@@H+]1C ZINC000592767275 532462426 /nfs/dbraw/zinc/46/24/26/532462426.db2.gz SGXSAXXQADWEDG-WBMJQRKESA-N 1 0 391.313 2.356 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000563129120 532497016 /nfs/dbraw/zinc/49/70/16/532497016.db2.gz ANOANDXEYHJDDU-HAQNSBGRSA-N 1 0 386.315 2.364 20 30 GEEDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2C#N)CCCO1 ZINC000593656334 532492633 /nfs/dbraw/zinc/49/26/33/532492633.db2.gz DPJHCLXMWMYTGL-CQSZACIVSA-N 1 0 394.313 2.480 20 30 GEEDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000593666292 532494247 /nfs/dbraw/zinc/49/42/47/532494247.db2.gz PIDDGOSXWAYYAQ-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000593667238 532494998 /nfs/dbraw/zinc/49/49/98/532494998.db2.gz XECZXEKBFVSPMT-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000374588015 532513245 /nfs/dbraw/zinc/51/32/45/532513245.db2.gz UXKNSFYWZORINZ-UNEWFSDZSA-N 1 0 384.933 2.401 20 30 GEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000520777579 532498526 /nfs/dbraw/zinc/49/85/26/532498526.db2.gz HOIXLZWWIVBIRU-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000594801304 532531303 /nfs/dbraw/zinc/53/13/03/532531303.db2.gz MRWCGQNCMFCYKA-ZDUSSCGKSA-N 1 0 386.315 2.472 20 30 GEEDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000564849690 532534315 /nfs/dbraw/zinc/53/43/15/532534315.db2.gz NYKBNCYXDAFMTH-MRXNPFEDSA-N 1 0 379.869 2.358 20 30 GEEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262021654 532582296 /nfs/dbraw/zinc/58/22/96/532582296.db2.gz YYEAUBWCQHLSRA-UHFFFAOYSA-N 1 0 398.476 2.136 20 30 GEEDRO C=CC[NH+]1CCC(Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000472362094 532574152 /nfs/dbraw/zinc/57/41/52/532574152.db2.gz UWWRREDHTXVYSW-UHFFFAOYSA-N 1 0 392.294 2.298 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(Br)c2)nc1 ZINC000565828620 532580242 /nfs/dbraw/zinc/58/02/42/532580242.db2.gz CDDRNGMRPMILCG-UHFFFAOYSA-N 1 0 394.294 2.322 20 30 GEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@H]2C1 ZINC000566602588 532619462 /nfs/dbraw/zinc/61/94/62/532619462.db2.gz UMSWMIUJHNAPTN-LSDHHAIUSA-N 1 0 378.270 2.256 20 30 GEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N(C)Cc1ccc(Br)s1 ZINC000262822792 532601831 /nfs/dbraw/zinc/60/18/31/532601831.db2.gz YSIZDRLALJHYDT-UHFFFAOYSA-N 1 0 390.347 2.307 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC[C@@H]1CCOC1 ZINC000262834133 532603868 /nfs/dbraw/zinc/60/38/68/532603868.db2.gz RZGJCQANNZMSOI-CABCVRRESA-N 1 0 395.345 2.477 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337371 532606636 /nfs/dbraw/zinc/60/66/36/532606636.db2.gz FBFPYLVSSNTMAT-GDBMZVCRSA-N 1 0 386.949 2.301 20 30 GEEDRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)sc1C ZINC000435218282 532610831 /nfs/dbraw/zinc/61/08/31/532610831.db2.gz UTFCJSWEHCIKMU-UHFFFAOYSA-N 1 0 378.523 2.384 20 30 GEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000298940720 532685584 /nfs/dbraw/zinc/68/55/84/532685584.db2.gz CTJSVXTXIMILDS-LBPRGKRZSA-N 1 0 395.301 2.185 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000600744345 532680803 /nfs/dbraw/zinc/68/08/03/532680803.db2.gz BMXMUOMUFFGTSZ-IUODEOHRSA-N 1 0 385.277 2.384 20 30 GEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000500679357 532732741 /nfs/dbraw/zinc/73/27/41/532732741.db2.gz QSBPSCMWDJAZKS-FZMZJTMJSA-N 1 0 393.285 2.200 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000270388634 532796897 /nfs/dbraw/zinc/79/68/97/532796897.db2.gz XQEIJEQDHCBRMY-UHFFFAOYSA-N 1 0 376.254 2.079 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000459663947 532797354 /nfs/dbraw/zinc/79/73/54/532797354.db2.gz ZMVIYGCDIBTBMT-INIZCTEOSA-N 1 0 384.274 2.202 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000459663949 532797629 /nfs/dbraw/zinc/79/76/29/532797629.db2.gz ZMVIYGCDIBTBMT-MRXNPFEDSA-N 1 0 384.274 2.202 20 30 GEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(S(C)(=O)=O)s3)C2)CC1 ZINC000329876885 532812816 /nfs/dbraw/zinc/81/28/16/532812816.db2.gz IMMJPDWYRQXMDZ-CQSZACIVSA-N 1 0 385.555 2.229 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000330619168 532822712 /nfs/dbraw/zinc/82/27/12/532822712.db2.gz ZAMLHKVKGMNULA-HUUCEWRRSA-N 1 0 386.315 2.271 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677142 532824980 /nfs/dbraw/zinc/82/49/80/532824980.db2.gz UXAONPWNDBIAOL-VXGBXAGGSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C[NH+]1CCCC1 ZINC000331197767 532835650 /nfs/dbraw/zinc/83/56/50/532835650.db2.gz OETDRXZOJJEXDZ-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO CCC[NH2+]CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414918676 532835992 /nfs/dbraw/zinc/83/59/92/532835992.db2.gz ZCBNCNSBPUZYAP-UHFFFAOYSA-N 1 0 376.511 2.823 20 30 GEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331176660 532835244 /nfs/dbraw/zinc/83/52/44/532835244.db2.gz FPKNXSIHHKMGBD-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428373 532839342 /nfs/dbraw/zinc/83/93/42/532839342.db2.gz BUELBIQAGSMXBT-MEBBXXQBSA-N 1 0 384.299 2.082 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415369080 532842903 /nfs/dbraw/zinc/84/29/03/532842903.db2.gz LFAQVDOOHHLETF-UHFFFAOYSA-N 1 0 396.285 2.339 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000289093807 532847282 /nfs/dbraw/zinc/84/72/82/532847282.db2.gz IOEMESBAHNYNRY-LLVKDONJSA-N 1 0 390.278 2.175 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415660381 532852502 /nfs/dbraw/zinc/85/25/02/532852502.db2.gz NQBTXHBKROQHEB-AAEUAGOBSA-N 1 0 396.285 2.209 20 30 GEEDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000415839151 532859851 /nfs/dbraw/zinc/85/98/51/532859851.db2.gz OICFFYKRYZYBIM-VIFPVBQESA-N 1 0 375.244 2.179 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726727 532882791 /nfs/dbraw/zinc/88/27/91/532882791.db2.gz HUDVFWHWACKVNZ-ZDUSSCGKSA-N 1 0 393.285 2.200 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187232 532904344 /nfs/dbraw/zinc/90/43/44/532904344.db2.gz ZZOGNDVJBFLMQV-RDJZCZTQSA-N 1 0 379.844 2.466 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187233 532904488 /nfs/dbraw/zinc/90/44/88/532904488.db2.gz ZZOGNDVJBFLMQV-WBVHZDCISA-N 1 0 379.844 2.466 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000293412677 532926601 /nfs/dbraw/zinc/92/66/01/532926601.db2.gz PILHVDSLWOFKJW-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO C[N@@H+]1CC[C@@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@H]1c1cccs1 ZINC000367732457 532926685 /nfs/dbraw/zinc/92/66/85/532926685.db2.gz ZNHZVXNNGVACAF-GUYCJALGSA-N 1 0 376.507 2.372 20 30 GEEDRO C[N@@H+]1CC[C@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@@H]1c1cccs1 ZINC000367732455 532926859 /nfs/dbraw/zinc/92/68/59/532926859.db2.gz ZNHZVXNNGVACAF-CXAGYDPISA-N 1 0 376.507 2.372 20 30 GEEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000368700890 532933830 /nfs/dbraw/zinc/93/38/30/532933830.db2.gz WXBXHSBTAKVYQM-UHFFFAOYSA-N 1 0 394.313 2.254 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])nc1C ZINC000294130288 532936069 /nfs/dbraw/zinc/93/60/69/532936069.db2.gz PQMREAFZXLNOOE-GHMZBOCLSA-N 1 0 378.527 2.498 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)s1 ZINC000369842353 532941134 /nfs/dbraw/zinc/94/11/34/532941134.db2.gz UIHGWJDPFYZBPR-FPCVCCKLSA-N 1 0 383.539 2.164 20 30 GEEDRO CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000819772680 607254222 /nfs/dbraw/zinc/25/42/22/607254222.db2.gz JFLJGRDOGHXYEX-UHFFFAOYSA-N 1 0 379.468 2.321 20 30 GEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735419723 598248548 /nfs/dbraw/zinc/24/85/48/598248548.db2.gz ZGRWACDOGJTYNH-INIZCTEOSA-N 1 0 396.495 2.299 20 30 GEEDRO N#Cc1ccccc1N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737727703 598251755 /nfs/dbraw/zinc/25/17/55/598251755.db2.gz RDCHLKXFEWIYFF-UHFFFAOYSA-N 1 0 389.463 2.329 20 30 GEEDRO N#CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000737696130 598537925 /nfs/dbraw/zinc/53/79/25/598537925.db2.gz OHBDLMACXBQJQL-UHFFFAOYSA-N 1 0 393.426 2.230 20 30 GEEDRO C[N@H+](CCN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440534 600569018 /nfs/dbraw/zinc/56/90/18/600569018.db2.gz BXGWKVGGUMTGRJ-JOCHJYFZSA-N 1 0 392.503 2.434 20 30 GEEDRO CCOCC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681089 649951457 /nfs/dbraw/zinc/95/14/57/649951457.db2.gz SJRPGOOXJYXQOH-MSOLQXFVSA-N 1 0 396.329 2.419 20 30 GEEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000821589323 606176980 /nfs/dbraw/zinc/17/69/80/606176980.db2.gz JBCPLSCETDQGOK-UHFFFAOYSA-N 1 0 376.424 2.023 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821585934 606511423 /nfs/dbraw/zinc/51/14/23/606511423.db2.gz BGPXDZBZUPTCSH-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448604418 650017721 /nfs/dbraw/zinc/01/77/21/650017721.db2.gz MWCINTBUTUVYOC-CQSZACIVSA-N 1 0 380.286 2.407 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448606157 650017766 /nfs/dbraw/zinc/01/77/66/650017766.db2.gz SXNSBVKMGSGKTF-OAHLLOKOSA-N 1 0 380.286 2.407 20 30 GEEDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448693996 650019406 /nfs/dbraw/zinc/01/94/06/650019406.db2.gz INZJTBAZYCPOSV-UHFFFAOYSA-N 1 0 379.302 2.078 20 30 GEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000448922429 650025664 /nfs/dbraw/zinc/02/56/64/650025664.db2.gz CHGMNEALYNKKRB-HNNXBMFYSA-N 1 0 391.313 2.173 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449748396 650048650 /nfs/dbraw/zinc/04/86/50/650048650.db2.gz LVHFPNSQLKWNHO-STQMWFEESA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449750443 650048893 /nfs/dbraw/zinc/04/88/93/650048893.db2.gz UNSBCIYBMXQOII-KGLIPLIRSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449788594 650049972 /nfs/dbraw/zinc/04/99/72/650049972.db2.gz CGSXANAHBFBDRE-LBPRGKRZSA-N 1 0 378.270 2.300 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1cccc(Br)c1C#N ZINC000449842306 650053255 /nfs/dbraw/zinc/05/32/55/650053255.db2.gz MJQPUBAWBKACGH-UHFFFAOYSA-N 1 0 380.286 2.500 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1cccc(Br)c1C#N ZINC000449865795 650054668 /nfs/dbraw/zinc/05/46/68/650054668.db2.gz BBFLKVROKNMQKC-CYBMUJFWSA-N 1 0 380.286 2.500 20 30 GEEDRO C[NH+](C)[C@@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCSC1 ZINC000450046860 650059169 /nfs/dbraw/zinc/05/91/69/650059169.db2.gz TYFYTPUVHRMKLP-MRXNPFEDSA-N 1 0 398.326 2.253 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C[N@@H+]1C1CC1 ZINC000450074296 650059622 /nfs/dbraw/zinc/05/96/22/650059622.db2.gz KXBKXQMTEBBTAP-NWDGAFQWSA-N 1 0 378.270 2.441 20 30 GEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453336122 650208270 /nfs/dbraw/zinc/20/82/70/650208270.db2.gz ARXSTUBPSMVWCZ-ZYHUDNBSSA-N 1 0 377.304 2.074 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503480568 650418367 /nfs/dbraw/zinc/41/83/67/650418367.db2.gz XRHNJHKDGRWCKN-HNNXBMFYSA-N 1 0 385.917 2.333 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000459648851 650429770 /nfs/dbraw/zinc/42/97/70/650429770.db2.gz ATUNUCPUNKCZFH-AWEZNQCLSA-N 1 0 397.317 2.381 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000525122515 650649772 /nfs/dbraw/zinc/64/97/72/650649772.db2.gz IVUQZASJTAJPEL-UHFFFAOYSA-N 1 0 384.274 2.162 20 30 GEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cs1)C(C)C ZINC000482296610 650663996 /nfs/dbraw/zinc/66/39/96/650663996.db2.gz NBRQFPIXJBIUEK-HNNXBMFYSA-N 1 0 385.555 2.085 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067936379 642981794 /nfs/dbraw/zinc/98/17/94/642981794.db2.gz SWHPWQDKYGNVJC-AWEZNQCLSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000101583496 643112355 /nfs/dbraw/zinc/11/23/55/643112355.db2.gz YWMISGWPMFLQRD-AWEZNQCLSA-N 1 0 379.298 2.225 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916578 643118233 /nfs/dbraw/zinc/11/82/33/643118233.db2.gz OSPNWIYPSPZOCW-ZDUSSCGKSA-N 1 0 392.297 2.238 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N2CCC[C@H](C)C2)s1 ZINC000104193998 643179390 /nfs/dbraw/zinc/17/93/90/643179390.db2.gz IKBNDPPNSAUNMF-AWEZNQCLSA-N 1 0 386.587 2.368 20 30 GEEDRO [NH2+]=C(NCCc1ccc(I)s1)N1CCSCC1 ZINC000104192779 643179433 /nfs/dbraw/zinc/17/94/33/643179433.db2.gz FPODYUQWEWOUEY-UHFFFAOYSA-N 1 0 381.308 2.259 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N2CCC[C@@H](C)C2)s1 ZINC000104194002 643179521 /nfs/dbraw/zinc/17/95/21/643179521.db2.gz IKBNDPPNSAUNMF-CQSZACIVSA-N 1 0 386.587 2.368 20 30 GEEDRO COC[C@@H](C)NC(=[NH2+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000104192100 643179683 /nfs/dbraw/zinc/17/96/83/643179683.db2.gz SNFXTFJMEITGCU-CYBMUJFWSA-N 1 0 384.318 2.437 20 30 GEEDRO C=CC1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000111259744 643330776 /nfs/dbraw/zinc/33/07/76/643330776.db2.gz ZEPXTKLHRLSJJV-UHFFFAOYSA-N 1 0 380.286 2.402 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000121468135 643632700 /nfs/dbraw/zinc/63/27/00/643632700.db2.gz LHFZWUBPIXUESS-CYBMUJFWSA-N 1 0 399.285 2.391 20 30 GEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498661591 650861909 /nfs/dbraw/zinc/86/19/09/650861909.db2.gz WJZBTZFRBQAGMG-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000156322015 644088700 /nfs/dbraw/zinc/08/87/00/644088700.db2.gz BFAYUFXHLXOVPX-UHFFFAOYSA-N 1 0 392.297 2.157 20 30 GEEDRO [NH2+]=C(NCc1cc(Br)ccc1Br)N1CCOCC1 ZINC000187050154 645081135 /nfs/dbraw/zinc/08/11/35/645081135.db2.gz NIORMJRGFHORAL-UHFFFAOYSA-N 1 0 377.080 2.359 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000246068421 645474195 /nfs/dbraw/zinc/47/41/95/645474195.db2.gz ZBLHJJTUPSVZAW-WBVHZDCISA-N 1 0 382.302 2.469 20 30 GEEDRO CC[NH+]=C(NCC1CCSCC1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261826864 645603569 /nfs/dbraw/zinc/60/35/69/645603569.db2.gz VBMIHPOZFSUVGD-UHFFFAOYSA-N 1 0 382.603 2.331 20 30 GEEDRO C[NH+]=C(NCc1ccc(N(C)C)nc1)N(C)Cc1cc(Br)cn1C ZINC000261837231 645604303 /nfs/dbraw/zinc/60/43/03/645604303.db2.gz WFNOJIBLKVJVJF-UHFFFAOYSA-N 1 0 393.333 2.456 20 30 GEEDRO C[NH+]=C(NCCc1csc(C)n1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261853685 645605933 /nfs/dbraw/zinc/60/59/33/645605933.db2.gz YITMQMYMRGRQIW-ZDUSSCGKSA-N 1 0 378.933 2.486 20 30 GEEDRO [NH2+]=C(NCc1ccc(I)cc1Cl)N1CCOCC1 ZINC000262487200 645632861 /nfs/dbraw/zinc/63/28/61/645632861.db2.gz SXCCUWNOLVSZOG-UHFFFAOYSA-N 1 0 379.629 2.092 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000262498574 645634271 /nfs/dbraw/zinc/63/42/71/645634271.db2.gz XITBKVGVORSLCQ-ZIAGYGMSSA-N 1 0 381.318 2.311 20 30 GEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)s1 ZINC000262503426 645634402 /nfs/dbraw/zinc/63/44/02/645634402.db2.gz ZCPSJMXONSDVEE-CQSZACIVSA-N 1 0 379.507 2.470 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NCc2c(Br)cncc2Br)CCO1 ZINC000263081091 645652069 /nfs/dbraw/zinc/65/20/69/645652069.db2.gz HRCPJJOZRPSMLF-MRVPVSSYSA-N 1 0 392.095 2.142 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000278602589 646530021 /nfs/dbraw/zinc/53/00/21/646530021.db2.gz BEDPBQYARYFOLZ-IAQYHMDHSA-N 1 0 384.299 2.035 20 30 GEEDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000280913931 646732862 /nfs/dbraw/zinc/73/28/62/646732862.db2.gz AFXWWFGISXIEAK-UHFFFAOYSA-N 1 0 386.315 2.427 20 30 GEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293054899 647213932 /nfs/dbraw/zinc/21/39/32/647213932.db2.gz LCGPSNMVJNIHKT-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccccc2)cc1Cl ZINC000303775061 647278352 /nfs/dbraw/zinc/27/83/52/647278352.db2.gz GOTDXWUCJRKIHX-UHFFFAOYSA-N 1 0 382.873 2.054 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCc1ccc(Br)cc1Cl ZINC000303870653 647278398 /nfs/dbraw/zinc/27/83/98/647278398.db2.gz FJHKERZRYWZBSJ-UHFFFAOYSA-N 1 0 389.725 2.229 20 30 GEEDRO C=CC[NH+]1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418854560 648318184 /nfs/dbraw/zinc/31/81/84/648318184.db2.gz BPMFHIKAQZOXBB-UHFFFAOYSA-N 1 0 388.209 2.079 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419672921 648362381 /nfs/dbraw/zinc/36/23/81/648362381.db2.gz IGHIOHYNKVWLFF-CHWSQXEVSA-N 1 0 393.285 2.248 20 30 GEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C(C)C ZINC000419703568 648367476 /nfs/dbraw/zinc/36/74/76/648367476.db2.gz WLHIBGKVVONYPN-UHFFFAOYSA-N 1 0 381.274 2.106 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000424088306 648611830 /nfs/dbraw/zinc/61/18/30/648611830.db2.gz GTMDYJIIENQERF-HNNXBMFYSA-N 1 0 383.279 2.299 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc(Br)c1C#N ZINC000425740699 648692817 /nfs/dbraw/zinc/69/28/17/648692817.db2.gz ISIXNQMEYDXNKB-NHYWBVRUSA-N 1 0 393.285 2.167 20 30 GEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000551297127 651121906 /nfs/dbraw/zinc/12/19/06/651121906.db2.gz RTMAUYAUOROOLC-LBPRGKRZSA-N 1 0 395.301 2.496 20 30 GEEDRO N#Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000556176820 651237797 /nfs/dbraw/zinc/23/77/97/651237797.db2.gz JGTSAUKPSFHYGW-CQSZACIVSA-N 1 0 378.270 2.396 20 30 GEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(C)C ZINC000557833681 651274588 /nfs/dbraw/zinc/27/45/88/651274588.db2.gz UFQXVAQBPLJXCH-CQSZACIVSA-N 1 0 386.543 2.078 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000559639894 651299877 /nfs/dbraw/zinc/29/98/77/651299877.db2.gz QQZQMNMISKVCCP-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603309269 651479703 /nfs/dbraw/zinc/47/97/03/651479703.db2.gz CVZHMXKDZCEJSE-OAHLLOKOSA-N 1 0 378.318 2.320 20 30 GEEDRO C[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000603332459 651481722 /nfs/dbraw/zinc/48/17/22/651481722.db2.gz LIZICWKXWYWMJZ-CZUORRHYSA-N 1 0 378.318 2.178 20 30 GEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000603432426 651491309 /nfs/dbraw/zinc/49/13/09/651491309.db2.gz MQJVGPRYGRXMJP-GFCCVEGCSA-N 1 0 389.233 2.172 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2nc(C#N)cs2)s1 ZINC000564415409 651565776 /nfs/dbraw/zinc/56/57/76/651565776.db2.gz OMLVAGABBABUDB-UHFFFAOYSA-N 1 0 384.552 2.439 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000729811702 651580354 /nfs/dbraw/zinc/58/03/54/651580354.db2.gz AVEMPGJEJIQHBB-GFCCVEGCSA-N 1 0 399.310 2.223 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Cl ZINC000565294493 651591478 /nfs/dbraw/zinc/59/14/78/651591478.db2.gz FUTUHXZKHJMWKH-DLBZAZTESA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC000730275585 651594100 /nfs/dbraw/zinc/59/41/00/651594100.db2.gz NQJUNCFSJSXGFX-CYBMUJFWSA-N 1 0 380.543 2.325 20 30 GEEDRO C#CC[N@@H+](CCC(=O)NC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195044 651693336 /nfs/dbraw/zinc/69/33/36/651693336.db2.gz BQPAESNVZPNMJZ-AWEZNQCLSA-N 1 0 394.269 2.054 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000570276332 651757074 /nfs/dbraw/zinc/75/70/74/651757074.db2.gz HCIPABOJPVRRCL-ROUUACIJSA-N 1 0 379.551 2.094 20 30 GEEDRO C#CCNC(=O)CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000735309170 651775959 /nfs/dbraw/zinc/77/59/59/651775959.db2.gz HWWVIKATIATMCF-HWKANZROSA-N 1 0 390.325 2.219 20 30 GEEDRO C#CCC[NH+]1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000742397207 651987341 /nfs/dbraw/zinc/98/73/41/651987341.db2.gz CZMKLXPLRKZUHU-UHFFFAOYSA-N 1 0 392.244 2.380 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577497034 652193256 /nfs/dbraw/zinc/19/32/56/652193256.db2.gz VVYDNQPYQGTEKY-CYBMUJFWSA-N 1 0 381.274 2.245 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000748812737 652217721 /nfs/dbraw/zinc/21/77/21/652217721.db2.gz FDCMTWZXILCJLF-UHFFFAOYSA-N 1 0 390.325 2.195 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659091938 652342925 /nfs/dbraw/zinc/34/29/25/652342925.db2.gz KYIBHLJQZDZSDC-UHFFFAOYSA-N 1 0 384.274 2.148 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000582044125 652432884 /nfs/dbraw/zinc/43/28/84/652432884.db2.gz KUIWWSCIBSWUPE-KRWDZBQOSA-N 1 0 391.313 2.107 20 30 GEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000582721633 652460479 /nfs/dbraw/zinc/46/04/79/652460479.db2.gz WKEMFYYBORBTOG-INIZCTEOSA-N 1 0 380.286 2.404 20 30 GEEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000588637789 652553575 /nfs/dbraw/zinc/55/35/75/652553575.db2.gz PDIRXOTZEYMHTK-CQSZACIVSA-N 1 0 393.285 2.248 20 30 GEEDRO CC(C)([NH3+])c1noc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)n1 ZINC000592158467 652589161 /nfs/dbraw/zinc/58/91/61/652589161.db2.gz DEIDGNMBPASNBI-UHFFFAOYSA-N 1 0 388.225 2.261 20 30 GEEDRO COCC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C(C)(C)C1 ZINC000593339768 652617383 /nfs/dbraw/zinc/61/73/83/652617383.db2.gz JVMLGGIJTFXCHD-UHFFFAOYSA-N 1 0 394.313 2.432 20 30 GEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593390493 652619367 /nfs/dbraw/zinc/61/93/67/652619367.db2.gz DYTMSAIGVCLNNU-KRWDZBQOSA-N 1 0 394.313 2.336 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593531427 652624514 /nfs/dbraw/zinc/62/45/14/652624514.db2.gz SCMXIXDQVWZANX-KRWDZBQOSA-N 1 0 392.297 2.233 20 30 GEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000594401917 652647060 /nfs/dbraw/zinc/64/70/60/652647060.db2.gz KGACRSROOLJTBQ-DRQUAOQDSA-N 1 0 391.313 2.213 20 30 GEEDRO N#CC[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615252 652734915 /nfs/dbraw/zinc/73/49/15/652734915.db2.gz LMZJBZFBKJWACB-CYBMUJFWSA-N 1 0 393.285 2.129 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636676124 652816112 /nfs/dbraw/zinc/81/61/12/652816112.db2.gz DPUQRAWBQGZVKW-UHFFFAOYSA-N 1 0 375.416 2.150 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000598727324 652831708 /nfs/dbraw/zinc/83/17/08/652831708.db2.gz GNBBGIOMRROGAS-ZDUSSCGKSA-N 1 0 378.416 2.499 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599105650 652850070 /nfs/dbraw/zinc/85/00/70/652850070.db2.gz ZNJBFLBFCSSXMC-GXSJLCMTSA-N 1 0 381.807 2.359 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000599415269 652869195 /nfs/dbraw/zinc/86/91/95/652869195.db2.gz MEZNAGLMGUOQST-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH2+]C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 ZINC000600825452 652935179 /nfs/dbraw/zinc/93/51/79/652935179.db2.gz HRMXPDYSSLTTAI-UHFFFAOYSA-N 1 0 377.286 2.015 20 30 GEEDRO Cc1ccc(Br)c2ncc(C#N)c(NC[C@@H]3C[N@@H+](C)CCN3C)c12 ZINC000601115799 652955157 /nfs/dbraw/zinc/95/51/57/652955157.db2.gz KUKGMELLRZXMAI-CQSZACIVSA-N 1 0 388.313 2.257 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351725 653087928 /nfs/dbraw/zinc/08/79/28/653087928.db2.gz NJBMIGBURHHFCC-FZMZJTMJSA-N 1 0 384.299 2.083 20 30 GEEDRO C[C@H](CCC#N)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602732274 653203362 /nfs/dbraw/zinc/20/33/62/653203362.db2.gz GLBRELRGXZXYII-GFCCVEGCSA-N 1 0 385.253 2.143 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000774141167 653226419 /nfs/dbraw/zinc/22/64/19/653226419.db2.gz IKRWGVYOQYJKHF-GFCCVEGCSA-N 1 0 383.286 2.347 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000808924845 653237391 /nfs/dbraw/zinc/23/73/91/653237391.db2.gz WGDSNFJAFKQDKU-INIZCTEOSA-N 1 0 396.329 2.284 20 30 GEEDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CCC1(C)C ZINC000874098805 653262725 /nfs/dbraw/zinc/26/27/25/653262725.db2.gz PFHAKAKRLQHHDX-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809459460 653273329 /nfs/dbraw/zinc/27/33/29/653273329.db2.gz YLDGXOWURSWETH-HOCLYGCPSA-N 1 0 394.313 2.038 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809459459 653273653 /nfs/dbraw/zinc/27/36/53/653273653.db2.gz YLDGXOWURSWETH-GOEBONIOSA-N 1 0 394.313 2.038 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1C ZINC000874446425 653319461 /nfs/dbraw/zinc/31/94/61/653319461.db2.gz JVTOICQVTQNTDS-NSHDSACASA-N 1 0 378.527 2.465 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000836282353 653342733 /nfs/dbraw/zinc/34/27/33/653342733.db2.gz LAGYOPGPGKDICX-ZACQAIPSSA-N 1 0 392.297 2.286 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837432997 653437502 /nfs/dbraw/zinc/43/75/02/653437502.db2.gz ZSAKAXBRNLKLPL-UHFFFAOYSA-N 1 0 379.302 2.199 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625503 653438680 /nfs/dbraw/zinc/43/86/80/653438680.db2.gz WVULNWLYEHJQDQ-LLVKDONJSA-N 1 0 375.650 2.306 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802665 653449184 /nfs/dbraw/zinc/44/91/84/653449184.db2.gz RMQHEFRMNUYLIX-CABZTGNLSA-N 1 0 377.267 2.414 20 30 GEEDRO C=C(Br)C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000779054301 653465974 /nfs/dbraw/zinc/46/59/74/653465974.db2.gz NVLQINJTSDEODJ-UHFFFAOYSA-N 1 0 389.315 2.347 20 30 GEEDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2Br)C1 ZINC000779652145 653525211 /nfs/dbraw/zinc/52/52/11/653525211.db2.gz FYKPAAGPPBEHFW-OAHLLOKOSA-N 1 0 381.274 2.428 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000815082226 653650694 /nfs/dbraw/zinc/65/06/94/653650694.db2.gz GRNFIJVEUBWVCR-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840785501 653693894 /nfs/dbraw/zinc/69/38/94/653693894.db2.gz HEKNNCZNNLDURQ-ZDUSSCGKSA-N 1 0 387.527 2.003 20 30 GEEDRO CCOc1cc(Br)c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000841082422 653706114 /nfs/dbraw/zinc/70/61/14/653706114.db2.gz KXZDDWYEBVJUNY-MFKMUULPSA-N 1 0 397.273 2.480 20 30 GEEDRO C#CCC1(O)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000880483778 653706687 /nfs/dbraw/zinc/70/66/87/653706687.db2.gz KMAPKKBMUSIILE-OAHLLOKOSA-N 1 0 386.261 2.178 20 30 GEEDRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841176676 653709112 /nfs/dbraw/zinc/70/91/12/653709112.db2.gz MPUZNQNZVVRDME-RISCZKNCSA-N 1 0 397.273 2.097 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241422 653712072 /nfs/dbraw/zinc/71/20/72/653712072.db2.gz NDUSTDQUPJJFJL-XPUUQOCRSA-N 1 0 378.152 2.096 20 30 GEEDRO C[C@@](O)(C[NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1Cl ZINC000819305343 653748666 /nfs/dbraw/zinc/74/86/66/653748666.db2.gz JGPPJXXVYQZWFD-CQSZACIVSA-N 1 0 384.665 2.063 20 30 GEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000819312168 653749063 /nfs/dbraw/zinc/74/90/63/653749063.db2.gz PEZUXVDKEQCIKD-OAHLLOKOSA-N 1 0 380.217 2.384 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@](C)(O)C[NH+](C)C)s1 ZINC000819425363 653750459 /nfs/dbraw/zinc/75/04/59/653750459.db2.gz WPPJLDAANJBICB-OAHLLOKOSA-N 1 0 377.963 2.267 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000820611651 653777953 /nfs/dbraw/zinc/77/79/53/653777953.db2.gz MTWCJSNZKHBDGZ-INIZCTEOSA-N 1 0 394.313 2.222 20 30 GEEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843099539 653779339 /nfs/dbraw/zinc/77/93/39/653779339.db2.gz GIOXJZZKPMOLHI-CHWSQXEVSA-N 1 0 376.678 2.206 20 30 GEEDRO O=C1[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1O ZINC000895163636 653821107 /nfs/dbraw/zinc/82/11/07/653821107.db2.gz WVPWEZFCKLGHAF-INIZCTEOSA-N 1 0 382.302 2.383 20 30 GEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@H](C)O1 ZINC000883077800 653824821 /nfs/dbraw/zinc/82/48/21/653824821.db2.gz WLBZJIAXIMPWBX-TXEJJXNPSA-N 1 0 396.289 2.337 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCOc3ccc(Br)cc3C1)C2 ZINC000884334688 653872769 /nfs/dbraw/zinc/87/27/69/653872769.db2.gz YOJVABIHQFKCLX-TXKKKEFDSA-N 1 0 390.281 2.309 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957603 653898291 /nfs/dbraw/zinc/89/82/91/653898291.db2.gz TYBXBHWFAGQRPB-NWDGAFQWSA-N 1 0 384.299 2.226 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)C[N@@H+](C)CC(C)(C)C)c(=O)c1C#N ZINC000897598047 653929421 /nfs/dbraw/zinc/92/94/21/653929421.db2.gz GBAPZRFKRMILDK-UHFFFAOYSA-N 1 0 383.290 2.147 20 30 GEEDRO C[NH+]1CCN(c2ccc(CN=Nc3ncc(Br)cn3)cc2)CC1 ZINC000848421638 653975186 /nfs/dbraw/zinc/97/51/86/653975186.db2.gz ZDFRRUBSRAHBIY-UHFFFAOYSA-N 1 0 375.274 2.437 20 30 GEEDRO C#CCN(C(=O)c1cc(I)ccc1O)C1CC[NH+](C)CC1 ZINC000886578881 653992490 /nfs/dbraw/zinc/99/24/90/653992490.db2.gz PQQFTQBARHFDCH-UHFFFAOYSA-N 1 0 398.244 2.166 20 30 GEEDRO C#CCN(C(=O)Cc1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000886580066 653992616 /nfs/dbraw/zinc/99/26/16/653992616.db2.gz UKBDLFHYWNQURK-UHFFFAOYSA-N 1 0 396.272 2.390 20 30 GEEDRO C=CCC1(O)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000886768615 653999227 /nfs/dbraw/zinc/99/92/27/653999227.db2.gz DVCLNFLGGLSPAN-UHFFFAOYSA-N 1 0 378.270 2.360 20 30 GEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSCC(F)(F)F)=[NH+]C[C@H]2C1 ZINC000849057258 654003625 /nfs/dbraw/zinc/00/36/25/654003625.db2.gz JJXJJAOOHGDEAO-NSHDSACASA-N 1 0 382.452 2.162 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900605324 654072482 /nfs/dbraw/zinc/07/24/82/654072482.db2.gz JBIGNYXDGAFBFW-UHFFFAOYSA-N 1 0 378.274 2.262 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000829582648 654073220 /nfs/dbraw/zinc/07/32/20/654073220.db2.gz ORVUOHDJSCUWAR-ZFWWWQNUSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000830163475 654102653 /nfs/dbraw/zinc/10/26/53/654102653.db2.gz YTKRLKLDALSTKR-KRWDZBQOSA-N 1 0 383.261 2.010 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000917097853 654113626 /nfs/dbraw/zinc/11/36/26/654113626.db2.gz LDOQSQROYPPRHI-UHFFFAOYSA-N 1 0 396.333 2.474 20 30 GEEDRO C=C(Br)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000851655941 654168191 /nfs/dbraw/zinc/16/81/91/654168191.db2.gz DDGMZNIIPDRFGF-JSGCOSHPSA-N 1 0 386.265 2.488 20 30 GEEDRO C#CCN(Cn1c2cc(F)c(Br)cc2oc1=O)C1CC[NH+](C)CC1 ZINC000902540777 654182594 /nfs/dbraw/zinc/18/25/94/654182594.db2.gz VYNJMJKSMARILN-UHFFFAOYSA-N 1 0 396.260 2.483 20 30 GEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101238 654218073 /nfs/dbraw/zinc/21/80/73/654218073.db2.gz OWFRWVXDRUZWGT-SJKOYZFVSA-N 1 0 385.917 2.309 20 30 GEEDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903488239 654240629 /nfs/dbraw/zinc/24/06/29/654240629.db2.gz VKQKHEABZLGSPL-FUNVUKJBSA-N 1 0 384.299 2.224 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000903483359 654240787 /nfs/dbraw/zinc/24/07/87/654240787.db2.gz FBGHZRMACMCWRS-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1Br ZINC000903516264 654246026 /nfs/dbraw/zinc/24/60/26/654246026.db2.gz YHIJIYIKBQJOBL-NHYWBVRUSA-N 1 0 384.299 2.083 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903525440 654249447 /nfs/dbraw/zinc/24/94/47/654249447.db2.gz IPFWNRLVNVJMEK-UKRRQHHQSA-N 1 0 375.416 2.074 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903525441 654249508 /nfs/dbraw/zinc/24/95/08/654249508.db2.gz IPFWNRLVNVJMEK-ZFWWWQNUSA-N 1 0 375.416 2.074 20 30 GEEDRO [NH3+][C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578008 654260443 /nfs/dbraw/zinc/26/04/43/654260443.db2.gz AOOISTUDHGPGEN-UHNVWZDZSA-N 1 0 398.275 2.282 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715742 654280942 /nfs/dbraw/zinc/28/09/42/654280942.db2.gz MCUMUMVSDIYTKY-CHWSQXEVSA-N 1 0 375.416 2.001 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903715743 654281114 /nfs/dbraw/zinc/28/11/14/654281114.db2.gz MCUMUMVSDIYTKY-OLZOCXBDSA-N 1 0 375.416 2.001 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000804269281 654303803 /nfs/dbraw/zinc/30/38/03/654303803.db2.gz UFIKLYYBCSIKEL-UHFFFAOYSA-N 1 0 381.274 2.385 20 30 GEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234277 654318381 /nfs/dbraw/zinc/31/83/81/654318381.db2.gz NOMHGNZQCRTUHC-INIZCTEOSA-N 1 0 376.254 2.440 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921834931 654329214 /nfs/dbraw/zinc/32/92/14/654329214.db2.gz ZEKWDIQKECRRKF-SWLSCSKDSA-N 1 0 386.315 2.128 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490273 654329764 /nfs/dbraw/zinc/32/97/64/654329764.db2.gz UBTKKWCWPBXYLD-BXKDBHETSA-N 1 0 378.219 2.417 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490301 654329844 /nfs/dbraw/zinc/32/98/44/654329844.db2.gz UDFXVDYOZJSUBU-HTQZYQBOSA-N 1 0 383.296 2.475 20 30 GEEDRO C[C@]1(NC(=O)COc2ccc(C#N)c(Br)c2)C[NH+]2CCC1CC2 ZINC000892766178 654363359 /nfs/dbraw/zinc/36/33/59/654363359.db2.gz LCFXQBBLTTYHJC-KRWDZBQOSA-N 1 0 378.270 2.300 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905554016 654365526 /nfs/dbraw/zinc/36/55/26/654365526.db2.gz CYOLKKXKBOAWOK-HIFRSBDPSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905587374 654368102 /nfs/dbraw/zinc/36/81/02/654368102.db2.gz OVRNORHKOCJORO-HNNXBMFYSA-N 1 0 391.269 2.036 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000835367150 654384001 /nfs/dbraw/zinc/38/40/01/654384001.db2.gz SKJBBQILWDRJFV-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO Cc1nn(C)c(N2CCN(c3cc[nH+]c(C)c3Br)CC2)c1C#N ZINC000893426381 654400459 /nfs/dbraw/zinc/40/04/59/654400459.db2.gz GUDCALKESLWTRQ-UHFFFAOYSA-N 1 0 375.274 2.393 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccn2ncc(Br)c12 ZINC000906413280 654435612 /nfs/dbraw/zinc/43/56/12/654435612.db2.gz BPTHMVGPVTYGET-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(I)cc2)CC1 ZINC000856152836 654465854 /nfs/dbraw/zinc/46/58/54/654465854.db2.gz DXURTTKGMVJDOS-UHFFFAOYSA-N 1 0 396.272 2.295 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328962 654532574 /nfs/dbraw/zinc/53/25/74/654532574.db2.gz JXCXCQATTBKULF-LSDHHAIUSA-N 1 0 384.299 2.178 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C2)s1 ZINC000907344225 654533702 /nfs/dbraw/zinc/53/37/02/654533702.db2.gz DXZFUXSGZZAFSW-GOEBONIOSA-N 1 0 384.571 2.289 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000927933085 654622263 /nfs/dbraw/zinc/62/22/63/654622263.db2.gz YOUFPBBBRGOPPS-QGZVFWFLSA-N 1 0 391.269 2.004 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Br ZINC000927932968 654622270 /nfs/dbraw/zinc/62/22/70/654622270.db2.gz WZZPMAQRHNPPSI-KRWDZBQOSA-N 1 0 391.269 2.004 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928459199 654648222 /nfs/dbraw/zinc/64/82/22/654648222.db2.gz VICYMPSAIPSNJW-BXUZGUMPSA-N 1 0 396.285 2.307 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000928649827 654654414 /nfs/dbraw/zinc/65/44/14/654654414.db2.gz SIBXPQBMVGRJCL-UHFFFAOYSA-N 1 0 380.242 2.114 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)/C=C\c2cc(Br)c(O)c(OC)c2)CC1 ZINC000928657348 654654639 /nfs/dbraw/zinc/65/46/39/654654639.db2.gz YGNWMNPFZXUWNR-PLNGDYQASA-N 1 0 393.281 2.390 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000909363861 654661722 /nfs/dbraw/zinc/66/17/22/654661722.db2.gz ZAYIBWIDCIBPHS-AWEZNQCLSA-N 1 0 399.329 2.233 20 30 GEEDRO CON1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942634 654795023 /nfs/dbraw/zinc/79/50/23/654795023.db2.gz ZWJJQHFGFLURJW-RNJXMRFFSA-N 1 0 382.251 2.252 20 30 GEEDRO CC[N@H+](C)C[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945286 654795534 /nfs/dbraw/zinc/79/55/34/654795534.db2.gz UYYVTRFUCODEEY-GUBZILKMSA-N 1 0 384.311 2.402 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164682747 719699837 /nfs/dbraw/zinc/69/98/37/719699837.db2.gz GZYJFYMMCSLSPW-UHFFFAOYSA-N 1 0 375.904 2.404 20 30 GEEDRO C=CCOc1cc(C)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813484 720223466 /nfs/dbraw/zinc/22/34/66/720223466.db2.gz MTVBBCNYCHXIAN-UHFFFAOYSA-N 1 0 398.511 2.157 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)CC[C@@H]21 ZINC001164834037 720533397 /nfs/dbraw/zinc/53/33/97/720533397.db2.gz CIAYRFVITLBUCL-WDSOQIARSA-N 1 0 395.467 2.436 20 30 GEEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738056 720728135 /nfs/dbraw/zinc/72/81/35/720728135.db2.gz DONVZIGLKDOLMR-RBUKOAKNSA-N 1 0 393.567 2.442 20 30 GEEDRO Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C#N ZINC001164745111 720826250 /nfs/dbraw/zinc/82/62/50/720826250.db2.gz WJGWEBJRDZQHQZ-NLWGTHIKSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@H]2C1 ZINC001164861697 720855386 /nfs/dbraw/zinc/85/53/86/720855386.db2.gz YCXPTVSMEALPRA-WFASDCNBSA-N 1 0 385.295 2.434 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866973 721092578 /nfs/dbraw/zinc/09/25/78/721092578.db2.gz WAQSIEWOHAIBQP-RTBURBONSA-N 1 0 381.480 2.225 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889847 721417807 /nfs/dbraw/zinc/41/78/07/721417807.db2.gz RQEVOBHHEUFGNS-XMSQKQJNSA-N 1 0 394.523 2.200 20 30 GEEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1CC#N ZINC001164889501 721439055 /nfs/dbraw/zinc/43/90/55/721439055.db2.gz BEPDDTKVIOIEAX-IRLDBZIGSA-N 1 0 383.540 2.222 20 30 GEEDRO CC(C)c1ccc(C#N)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796658 721509533 /nfs/dbraw/zinc/50/95/33/721509533.db2.gz VMLOCNAXPLTKCA-UHFFFAOYSA-N 1 0 379.512 2.041 20 30 GEEDRO N#Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984768 722106081 /nfs/dbraw/zinc/10/60/81/722106081.db2.gz UXNNFDOZQFBFSH-RDJZCZTQSA-N 1 0 384.871 2.124 20 30 GEEDRO N#Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984769 722106219 /nfs/dbraw/zinc/10/62/19/722106219.db2.gz UXNNFDOZQFBFSH-WBVHZDCISA-N 1 0 384.871 2.124 20 30 GEEDRO N#Cc1cc(Cl)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984355 722107065 /nfs/dbraw/zinc/10/70/65/722107065.db2.gz SSBLVPGNVXVCKC-DOTOQJQBSA-N 1 0 384.871 2.124 20 30 GEEDRO COc1cc(C#N)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978326 722121667 /nfs/dbraw/zinc/12/16/67/722121667.db2.gz OKUIGWYTXAFQLJ-PXNSSMCTSA-N 1 0 379.464 2.084 20 30 GEEDRO C[NH+]=C(NCc1ccc(Br)cc1)N[C@H]1CCc2nc(C)nn2C1 ZINC000152600975 531561033 /nfs/dbraw/zinc/56/10/33/531561033.db2.gz WDYZOZSJURNMNY-AWEZNQCLSA-N 1 0 377.290 2.029 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000171716448 531914671 /nfs/dbraw/zinc/91/46/71/531914671.db2.gz NLGYINIYFYAXTC-UHFFFAOYSA-N 1 0 377.539 2.402 20 30 GEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000122106150 532058039 /nfs/dbraw/zinc/05/80/39/532058039.db2.gz BNCPSPRSHXDNSW-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000122115769 532058439 /nfs/dbraw/zinc/05/84/39/532058439.db2.gz WJGMWSJCHDJUSQ-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000122157211 532060316 /nfs/dbraw/zinc/06/03/16/532060316.db2.gz WQGYGMMPMCNIHK-UHFFFAOYSA-N 1 0 381.274 2.082 20 30 GEEDRO C=CCc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc(OC)c1O ZINC000122189603 532061705 /nfs/dbraw/zinc/06/17/05/532061705.db2.gz UQALTXAFNCKQDR-UHFFFAOYSA-N 1 0 382.507 2.259 20 30 GEEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000136425565 532284912 /nfs/dbraw/zinc/28/49/12/532284912.db2.gz GJOSVDJTXSTCPG-QGZVFWFLSA-N 1 0 375.579 2.366 20 30 GEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640894 532304068 /nfs/dbraw/zinc/30/40/68/532304068.db2.gz ZAADNBOWWFFORI-GDBMZVCRSA-N 1 0 379.503 2.246 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183432161 532325318 /nfs/dbraw/zinc/32/53/18/532325318.db2.gz XNDNPKZWGQBATI-UHFFFAOYSA-N 1 0 394.269 2.160 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)c2cccc(Br)n2)CC1 ZINC000187225230 532343560 /nfs/dbraw/zinc/34/35/60/532343560.db2.gz JVACZTVWFANRTF-UHFFFAOYSA-N 1 0 380.286 2.169 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc(Br)c3C#N)[C@@H]2C1 ZINC000425214590 532375041 /nfs/dbraw/zinc/37/50/41/532375041.db2.gz JUKOPBJPMMGWOY-SMDDNHRTSA-N 1 0 384.299 2.035 20 30 GEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000294860635 532387971 /nfs/dbraw/zinc/38/79/71/532387971.db2.gz SYYYHGMOXOBYAD-FZMZJTMJSA-N 1 0 393.285 2.200 20 30 GEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328759 532408884 /nfs/dbraw/zinc/40/88/84/532408884.db2.gz PLPFTGGCJGYOSY-MRXNPFEDSA-N 1 0 398.326 2.427 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000591413708 532411657 /nfs/dbraw/zinc/41/16/57/532411657.db2.gz YPQJGNWMYAKZSE-ZDUSSCGKSA-N 1 0 393.285 2.250 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000295204013 532418380 /nfs/dbraw/zinc/41/83/80/532418380.db2.gz VSNUULPMYJVKDG-IRXDYDNUSA-N 1 0 383.514 2.039 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000592381960 532452881 /nfs/dbraw/zinc/45/28/81/532452881.db2.gz BURSFQKJKJFBAW-ZKYQVNSYSA-N 1 0 384.299 2.069 20 30 GEEDRO C[NH+]1CCN(c2ncccc2CNc2ncc(Br)cc2C#N)CC1 ZINC000295505149 532453944 /nfs/dbraw/zinc/45/39/44/532453944.db2.gz KYJWGAIWEJNADO-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO C[NH+](C)C(C)(C)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592745649 532459547 /nfs/dbraw/zinc/45/95/47/532459547.db2.gz FLOOOWSTSBXBSR-UHFFFAOYSA-N 1 0 379.302 2.213 20 30 GEEDRO C[NH+](C)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592762796 532459952 /nfs/dbraw/zinc/45/99/52/532459952.db2.gz NPLMHURZDGSRFV-UHFFFAOYSA-N 1 0 391.313 2.310 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763414 532460833 /nfs/dbraw/zinc/46/08/33/532460833.db2.gz WYHZUYVSKOZHLT-CYBMUJFWSA-N 1 0 391.313 2.215 20 30 GEEDRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000373818101 532472528 /nfs/dbraw/zinc/47/25/28/532472528.db2.gz DSJJDRJDGCIAEA-KBPBESRZSA-N 1 0 383.539 2.130 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282586230 532480039 /nfs/dbraw/zinc/48/00/39/532480039.db2.gz GLWLETPZHYXQGE-HNNXBMFYSA-N 1 0 381.245 2.483 20 30 GEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544483 532485605 /nfs/dbraw/zinc/48/56/05/532485605.db2.gz VDHHGVWXMSWYFI-UHFFFAOYSA-N 1 0 379.507 2.429 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000593545114 532485823 /nfs/dbraw/zinc/48/58/23/532485823.db2.gz ZREYVOQVZNYWBB-INIZCTEOSA-N 1 0 375.519 2.463 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000593545123 532486153 /nfs/dbraw/zinc/48/61/53/532486153.db2.gz ZREYVOQVZNYWBB-MRXNPFEDSA-N 1 0 375.519 2.463 20 30 GEEDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000237241418 532505280 /nfs/dbraw/zinc/50/52/80/532505280.db2.gz SDNAAXPMXMVEGK-PBWFPOADSA-N 1 0 384.299 2.224 20 30 GEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCS(=O)(=O)C1 ZINC000432482607 532539995 /nfs/dbraw/zinc/53/99/95/532539995.db2.gz HHTUOSUGYAVXTN-OAHLLOKOSA-N 1 0 384.571 2.019 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000595075131 532542845 /nfs/dbraw/zinc/54/28/45/532542845.db2.gz WILPCGJEDZWOHQ-ZDUSSCGKSA-N 1 0 393.285 2.248 20 30 GEEDRO CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000595131675 532544910 /nfs/dbraw/zinc/54/49/10/532544910.db2.gz RUPXEPXOMRJZOK-CYBMUJFWSA-N 1 0 393.285 2.202 20 30 GEEDRO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262882617 532605781 /nfs/dbraw/zinc/60/57/81/532605781.db2.gz FQXKAUBYSIDRPW-CQSZACIVSA-N 1 0 391.317 2.127 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000567861609 532667194 /nfs/dbraw/zinc/66/71/94/532667194.db2.gz HKGHBEHOTVQIFO-UONOGXRCSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378233862 532685174 /nfs/dbraw/zinc/68/51/74/532685174.db2.gz UWUITDRDASOONR-CJNGLKHVSA-N 1 0 398.326 2.473 20 30 GEEDRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1Br ZINC000600750410 532681850 /nfs/dbraw/zinc/68/18/50/532681850.db2.gz VXYYNRJOSGZHGH-LSDHHAIUSA-N 1 0 397.313 2.253 20 30 GEEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600748471 532682051 /nfs/dbraw/zinc/68/20/51/532682051.db2.gz NMMHRSZABUXCKE-CZUORRHYSA-N 1 0 397.313 2.253 20 30 GEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000569635946 532700993 /nfs/dbraw/zinc/70/09/93/532700993.db2.gz LOLPUQRVLGXZCX-STQMWFEESA-N 1 0 386.315 2.399 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000266870746 532728380 /nfs/dbraw/zinc/72/83/80/532728380.db2.gz XMSYPXQNQZTZNM-INIZCTEOSA-N 1 0 379.302 2.158 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000442300823 532730170 /nfs/dbraw/zinc/73/01/70/532730170.db2.gz ZWXOKTXARKVXFS-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCSC1 ZINC000267157640 532735555 /nfs/dbraw/zinc/73/55/55/532735555.db2.gz IUMFVGVBIWUJCU-AWEZNQCLSA-N 1 0 393.456 2.293 20 30 GEEDRO C[C@H]1CCSCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502842971 532741249 /nfs/dbraw/zinc/74/12/49/532741249.db2.gz OOPNGJXGNLVSNL-HOTGVXAUSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000542046631 532764103 /nfs/dbraw/zinc/76/41/03/532764103.db2.gz IYVAKCKSYMKSAU-LFPIHBKWSA-N 1 0 376.503 2.420 20 30 GEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287197397 532785966 /nfs/dbraw/zinc/78/59/66/532785966.db2.gz LLOGHLBUJAPHRT-ZDUSSCGKSA-N 1 0 394.317 2.468 20 30 GEEDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287206880 532786237 /nfs/dbraw/zinc/78/62/37/532786237.db2.gz MEEHFEBHCDPWFK-UHFFFAOYSA-N 1 0 394.317 2.468 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000549636673 532795916 /nfs/dbraw/zinc/79/59/16/532795916.db2.gz RQVAUJOAFRMOBH-RHSMWYFYSA-N 1 0 384.571 2.327 20 30 GEEDRO O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329354206 532806523 /nfs/dbraw/zinc/80/65/23/532806523.db2.gz YIHLIUUHFHTHCD-HIFRSBDPSA-N 1 0 383.539 2.485 20 30 GEEDRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329499835 532807916 /nfs/dbraw/zinc/80/79/16/532807916.db2.gz YDBQMULOMAIDEW-ZDUSSCGKSA-N 1 0 396.285 2.414 20 30 GEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCS(=O)(=O)C1 ZINC000329576814 532808681 /nfs/dbraw/zinc/80/86/81/532808681.db2.gz OJYAALYBYVPLSO-LBPRGKRZSA-N 1 0 381.523 2.453 20 30 GEEDRO C=CCCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000288478267 532828584 /nfs/dbraw/zinc/82/85/84/532828584.db2.gz GHBQLABSEBSKKR-UHFFFAOYSA-N 1 0 393.285 2.446 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000288606080 532833053 /nfs/dbraw/zinc/83/30/53/532833053.db2.gz NBTGDGNBDVMGQP-UHFFFAOYSA-N 1 0 384.322 2.328 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000331231750 532836438 /nfs/dbraw/zinc/83/64/38/532836438.db2.gz QQZCNCFPOBWFKA-AWEZNQCLSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000288760910 532837670 /nfs/dbraw/zinc/83/76/70/532837670.db2.gz KXETVQRXWAYFJB-ZWNOBZJWSA-N 1 0 391.269 2.001 20 30 GEEDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc(I)c1 ZINC000331327765 532837962 /nfs/dbraw/zinc/83/79/62/532837962.db2.gz NJBFMIIAWVPBNB-AWEZNQCLSA-N 1 0 388.249 2.443 20 30 GEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000017962573 209173504 /nfs/dbraw/zinc/17/35/04/209173504.db2.gz YOEFMCBCRRTNOL-UHFFFAOYSA-N 1 0 379.526 2.145 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288948928 532843014 /nfs/dbraw/zinc/84/30/14/532843014.db2.gz WXNPFWSHYGNVGU-JSGCOSHPSA-N 1 0 393.285 2.248 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415806604 532858378 /nfs/dbraw/zinc/85/83/78/532858378.db2.gz PHEPZZCWBHUYSR-UHFFFAOYSA-N 1 0 383.290 2.041 20 30 GEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)s1 ZINC000415834024 532859362 /nfs/dbraw/zinc/85/93/62/532859362.db2.gz KVQFWJGKYXXPNY-VIFPVBQESA-N 1 0 376.404 2.252 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000333150470 532865571 /nfs/dbraw/zinc/86/55/71/532865571.db2.gz KMTOKGDRBKDGPO-UKRRQHHQSA-N 1 0 398.326 2.426 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000416365223 532872095 /nfs/dbraw/zinc/87/20/95/532872095.db2.gz AMWNZQMQZLPMOU-LLVKDONJSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000416365229 532872236 /nfs/dbraw/zinc/87/22/36/532872236.db2.gz AMWNZQMQZLPMOU-NSHDSACASA-N 1 0 384.299 2.083 20 30 GEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416380995 532874258 /nfs/dbraw/zinc/87/42/58/532874258.db2.gz GCWGIAXXDIBSIE-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000364261980 532905333 /nfs/dbraw/zinc/90/53/33/532905333.db2.gz UWVQMSXDWNYDNA-CABCVRRESA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000293139341 532922594 /nfs/dbraw/zinc/92/25/94/532922594.db2.gz VILAGMXEVPPXNP-LSDHHAIUSA-N 1 0 391.269 2.002 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000293161884 532922901 /nfs/dbraw/zinc/92/29/01/532922901.db2.gz WSOGHOUUTZMPKE-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000367887692 532928487 /nfs/dbraw/zinc/92/84/87/532928487.db2.gz TWOPQIZXMHKUSQ-KGLIPLIRSA-N 1 0 391.269 2.002 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000293869834 532932653 /nfs/dbraw/zinc/93/26/53/532932653.db2.gz BSGIXURGJOJULV-UHFFFAOYSA-N 1 0 381.270 2.102 20 30 GEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293943501 532933759 /nfs/dbraw/zinc/93/37/59/532933759.db2.gz YVXSQBNFDYGIFP-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000294215953 532937096 /nfs/dbraw/zinc/93/70/96/532937096.db2.gz WQLRCGCSNGBRLK-TZMCWYRMSA-N 1 0 393.285 2.248 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000821181271 607322580 /nfs/dbraw/zinc/32/25/80/607322580.db2.gz LCKMODRQTXVTFO-AWEZNQCLSA-N 1 0 396.451 2.449 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821181176 607322639 /nfs/dbraw/zinc/32/26/39/607322639.db2.gz KMEYIFCRLOFDRT-OAHLLOKOSA-N 1 0 385.468 2.301 20 30 GEEDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000737123484 600593601 /nfs/dbraw/zinc/59/36/01/600593601.db2.gz VGXVXOZMQHIFBC-FQEVSTJZSA-N 1 0 379.464 2.011 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420240 606309108 /nfs/dbraw/zinc/30/91/08/606309108.db2.gz NVOUFEXPGDJCMA-XHDPSFHLSA-N 1 0 379.449 2.256 20 30 GEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745483 606888512 /nfs/dbraw/zinc/88/85/12/606888512.db2.gz FYQHXNSGDSJGSA-SFHVURJKSA-N 1 0 380.408 2.497 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586013 607114234 /nfs/dbraw/zinc/11/42/34/607114234.db2.gz FWIXTWNDKBOBDD-UHFFFAOYSA-N 1 0 392.423 2.215 20 30 GEEDRO C#CCCCCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823841575 609140570 /nfs/dbraw/zinc/14/05/70/609140570.db2.gz PSLRTXVMMPKGIS-UHFFFAOYSA-N 1 0 380.496 2.485 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000449200330 650033820 /nfs/dbraw/zinc/03/38/20/650033820.db2.gz BXCMZIZMHYVQGP-UHFFFAOYSA-N 1 0 378.270 2.443 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449652035 650045021 /nfs/dbraw/zinc/04/50/21/650045021.db2.gz PAZCFZJBSOCWPD-GJZGRUSLSA-N 1 0 378.270 2.443 20 30 GEEDRO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000450028640 650058625 /nfs/dbraw/zinc/05/86/25/650058625.db2.gz RSQCYJMZVICDDU-TZMCWYRMSA-N 1 0 380.286 2.238 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449868465 650054563 /nfs/dbraw/zinc/05/45/63/650054563.db2.gz KNLSUNKQPRTJOK-CYBMUJFWSA-N 1 0 380.286 2.500 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1 ZINC000450487965 650066013 /nfs/dbraw/zinc/06/60/13/650066013.db2.gz NVZBVNGBYYFWOH-WFASDCNBSA-N 1 0 378.270 2.252 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[N@H+](C)C1CC1 ZINC000451163842 650091910 /nfs/dbraw/zinc/09/19/10/650091910.db2.gz HKTYRSOIQUBQGV-VIFPVBQESA-N 1 0 390.278 2.221 20 30 GEEDRO C=CCNC(=O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451188011 650094675 /nfs/dbraw/zinc/09/46/75/650094675.db2.gz HCUMWQNOPSGSGY-CQSZACIVSA-N 1 0 384.261 2.458 20 30 GEEDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000451191311 650094802 /nfs/dbraw/zinc/09/48/02/650094802.db2.gz ZFJCYXDABIQECU-GFCCVEGCSA-N 1 0 380.286 2.238 20 30 GEEDRO C[NH+](C)CCn1nccc1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000452525580 650188252 /nfs/dbraw/zinc/18/82/52/650188252.db2.gz UANILBGXIJNUPG-UHFFFAOYSA-N 1 0 392.257 2.096 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000454107741 650253613 /nfs/dbraw/zinc/25/36/13/650253613.db2.gz RQUSHLRVVWHUDV-AWEZNQCLSA-N 1 0 393.285 2.200 20 30 GEEDRO N#Cc1ccc([C@@H]([NH2+]CCCCn2cc(Br)cn2)C(N)=O)cc1 ZINC000481602666 650650256 /nfs/dbraw/zinc/65/02/56/650650256.db2.gz GTTFHFGILFBOSZ-OAHLLOKOSA-N 1 0 376.258 2.114 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531030435 650733555 /nfs/dbraw/zinc/73/35/55/650733555.db2.gz BLSVCKVGIMJBRQ-UHFFFAOYSA-N 1 0 381.230 2.004 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000106040511 643218805 /nfs/dbraw/zinc/21/88/05/643218805.db2.gz KIZHAJXAVJRDAB-UHFFFAOYSA-N 1 0 385.917 2.018 20 30 GEEDRO COc1ccc(Br)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000113361174 643394744 /nfs/dbraw/zinc/39/47/44/643394744.db2.gz XRROKZBMNYLTIX-FOCLMDBBSA-N 1 0 380.242 2.074 20 30 GEEDRO COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000113360856 643394873 /nfs/dbraw/zinc/39/48/73/643394873.db2.gz FBPPDISQIQKJBU-FOCLMDBBSA-N 1 0 380.242 2.074 20 30 GEEDRO COc1cc(Br)ccc1CCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000542930248 650895234 /nfs/dbraw/zinc/89/52/34/650895234.db2.gz VBQBZIGSUFZBJT-UHFFFAOYSA-N 1 0 380.286 2.494 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181150542 644526188 /nfs/dbraw/zinc/52/61/88/644526188.db2.gz WJRILEHVEWJBPB-KRWDZBQOSA-N 1 0 391.313 2.059 20 30 GEEDRO C=C(Br)CNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000186601377 645069085 /nfs/dbraw/zinc/06/90/85/645069085.db2.gz WHQAJBIRLMGMEF-QGZVFWFLSA-N 1 0 382.302 2.173 20 30 GEEDRO C=CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751572 645492872 /nfs/dbraw/zinc/49/28/72/645492872.db2.gz QFTWDWGCTBFAMS-LSDHHAIUSA-N 1 0 377.428 2.284 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000247652777 645515414 /nfs/dbraw/zinc/51/54/14/645515414.db2.gz WPXWRPHZIKGLRU-BBRMVZONSA-N 1 0 398.326 2.426 20 30 GEEDRO CC[NH+]=C(NCc1ccc(Cl)cc1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261617973 645590744 /nfs/dbraw/zinc/59/07/44/645590744.db2.gz HEKZHVMDXYTVEL-UHFFFAOYSA-N 1 0 386.949 2.067 20 30 GEEDRO C[NH+]=C(NCc1cccnc1N(C)C)N(C)Cc1cc(Br)cn1C ZINC000261742284 645597302 /nfs/dbraw/zinc/59/73/02/645597302.db2.gz KUACTIFZDNOJAH-UHFFFAOYSA-N 1 0 393.333 2.456 20 30 GEEDRO CC[NH+]=C(NCc1cc(F)ccc1Br)N1CCO[C@H](COC)C1 ZINC000261809458 645602135 /nfs/dbraw/zinc/60/21/35/645602135.db2.gz HONFYXHHJLZSDC-AWEZNQCLSA-N 1 0 388.281 2.401 20 30 GEEDRO CNC(=O)CNC(=[NH+]C)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000261844480 645605127 /nfs/dbraw/zinc/60/51/27/645605127.db2.gz XBKVRLPTKMTMRG-UHFFFAOYSA-N 1 0 387.311 2.406 20 30 GEEDRO Cc1nc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)sc1C ZINC000262414007 645629411 /nfs/dbraw/zinc/62/94/11/645629411.db2.gz PTCODVGWMHTIBV-CQSZACIVSA-N 1 0 384.571 2.172 20 30 GEEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1 ZINC000262409283 645629731 /nfs/dbraw/zinc/62/97/31/645629731.db2.gz PAWHIKXWRARRBO-HRCADAONSA-N 1 0 375.604 2.239 20 30 GEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N(C)Cc1ccc(Br)cc1 ZINC000262598494 645639224 /nfs/dbraw/zinc/63/92/24/645639224.db2.gz XVRSSBJYIUJDSM-UHFFFAOYSA-N 1 0 377.290 2.194 20 30 GEEDRO [NH2+]=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@H]1CCCO1 ZINC000262754681 645644486 /nfs/dbraw/zinc/64/44/86/645644486.db2.gz CXVYGWMFAVIELV-OAHLLOKOSA-N 1 0 378.274 2.218 20 30 GEEDRO CC[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1 ZINC000263079216 645652125 /nfs/dbraw/zinc/65/21/25/645652125.db2.gz KYACQZSBOFTYPE-UHFFFAOYSA-N 1 0 380.505 2.139 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271068547 646170238 /nfs/dbraw/zinc/17/02/38/646170238.db2.gz NKYQXFNFSMCOEP-INIZCTEOSA-N 1 0 382.302 2.432 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277248566 646393864 /nfs/dbraw/zinc/39/38/64/646393864.db2.gz DMWICWBOLBQOSA-MRXNPFEDSA-N 1 0 393.325 2.062 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716303 646542741 /nfs/dbraw/zinc/54/27/41/646542741.db2.gz IGWBFDKHZCPLOG-BBRMVZONSA-N 1 0 398.326 2.426 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278917897 646562320 /nfs/dbraw/zinc/56/23/20/646562320.db2.gz WIKMASQBWOKUDL-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(Br)cc1 ZINC000303878795 647278626 /nfs/dbraw/zinc/27/86/26/647278626.db2.gz JIDPEKNQMSRRIM-UHFFFAOYSA-N 1 0 397.361 2.353 20 30 GEEDRO C[C@H](NC(=[NH2+])NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000304749635 647278991 /nfs/dbraw/zinc/27/89/91/647278991.db2.gz HUUFJTCXWJVPHW-VIFPVBQESA-N 1 0 381.329 2.287 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CCCC1 ZINC000331200440 647369628 /nfs/dbraw/zinc/36/96/28/647369628.db2.gz PNRATUXETXZMFV-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331200734 647369640 /nfs/dbraw/zinc/36/96/40/647369640.db2.gz ALYWHYWHXFGPAE-QWHCGFSZSA-N 1 0 386.315 2.472 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccncc1I ZINC000331299522 647378059 /nfs/dbraw/zinc/37/80/59/647378059.db2.gz DLWMMMAHKLPSEY-NSHDSACASA-N 1 0 388.253 2.308 20 30 GEEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370200727 647781589 /nfs/dbraw/zinc/78/15/89/647781589.db2.gz ZUWPHNJNIZUGAX-HNNXBMFYSA-N 1 0 376.551 2.364 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432396 648126064 /nfs/dbraw/zinc/12/60/64/648126064.db2.gz JYONEYSOBPUGJK-UKRRQHHQSA-N 1 0 398.326 2.426 20 30 GEEDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416495644 648148497 /nfs/dbraw/zinc/14/84/97/648148497.db2.gz MVOKLMOPFDMHTM-AWEZNQCLSA-N 1 0 386.315 2.424 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418764783 648310515 /nfs/dbraw/zinc/31/05/15/648310515.db2.gz OGLJXLWFLNBRHW-HNNXBMFYSA-N 1 0 399.308 2.189 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C[N@@H+]1C1CC1 ZINC000419677336 648363139 /nfs/dbraw/zinc/36/31/39/648363139.db2.gz NZCOQVAWEPWPJG-CMPLNLGQSA-N 1 0 391.269 2.001 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1=CC[N@H+](C)CC1 ZINC000419729553 648371706 /nfs/dbraw/zinc/37/17/06/648371706.db2.gz OPEPZVVDLCJKCX-LLVKDONJSA-N 1 0 391.269 2.026 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732359 648372147 /nfs/dbraw/zinc/37/21/47/648372147.db2.gz SLJUQZFSDSEQTO-DOMZBBRYSA-N 1 0 389.315 2.167 20 30 GEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1 ZINC000419734971 648372573 /nfs/dbraw/zinc/37/25/73/648372573.db2.gz ROYGOPICCWGYGO-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093949 648612593 /nfs/dbraw/zinc/61/25/93/648612593.db2.gz SNZSKFVEFKHPFV-ZWNOBZJWSA-N 1 0 382.258 2.419 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCCC[NH+](C)C)n1 ZINC000729518045 651571585 /nfs/dbraw/zinc/57/15/85/651571585.db2.gz GJYZTCVANJMYMU-UHFFFAOYSA-N 1 0 380.543 2.471 20 30 GEEDRO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000565624561 651593838 /nfs/dbraw/zinc/59/38/38/651593838.db2.gz DWMLIADBRDEADH-UHFFFAOYSA-N 1 0 384.933 2.005 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=C1CCOc2c(Br)cccc21 ZINC000731929409 651639148 /nfs/dbraw/zinc/63/91/48/651639148.db2.gz WOIDUQJGTAGNHA-UHFFFAOYSA-N 1 0 385.331 2.352 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000734243301 651740169 /nfs/dbraw/zinc/74/01/69/651740169.db2.gz DOXQECYAHFYVNX-OAHLLOKOSA-N 1 0 383.901 2.133 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000570276330 651756965 /nfs/dbraw/zinc/75/69/65/651756965.db2.gz HCIPABOJPVRRCL-MSOLQXFVSA-N 1 0 379.551 2.094 20 30 GEEDRO Cc1nc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000619167447 652046151 /nfs/dbraw/zinc/04/61/51/652046151.db2.gz OEVCALGMFLVDBJ-UHFFFAOYSA-N 1 0 378.523 2.217 20 30 GEEDRO N#Cc1cc(F)c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000575816526 652079461 /nfs/dbraw/zinc/07/94/61/652079461.db2.gz SGGLHKXZGXKVOS-LLVKDONJSA-N 1 0 383.265 2.459 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000576013736 652090604 /nfs/dbraw/zinc/09/06/04/652090604.db2.gz YSNIFNFCCPAAPP-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C[NH+](C)C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000576641006 652133444 /nfs/dbraw/zinc/13/34/44/652133444.db2.gz GLQGXFNTSCRSBM-AWEZNQCLSA-N 1 0 378.885 2.230 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577633491 652203505 /nfs/dbraw/zinc/20/35/05/652203505.db2.gz LAYUETHVJUAAIN-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000578428862 652270814 /nfs/dbraw/zinc/27/08/14/652270814.db2.gz LQJBSZQZILONLZ-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000751104737 652323685 /nfs/dbraw/zinc/32/36/85/652323685.db2.gz GJVVMSAFCIKNMU-MRXNPFEDSA-N 1 0 383.901 2.133 20 30 GEEDRO C=CC[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000662551470 652467622 /nfs/dbraw/zinc/46/76/22/652467622.db2.gz MFTPSVBHHGBHLK-GOSISDBHSA-N 1 0 394.313 2.384 20 30 GEEDRO C=CC[C@@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCC[NH2+]1 ZINC000662639834 652469709 /nfs/dbraw/zinc/46/97/09/652469709.db2.gz LSMSIWWHCNGNBO-DYVFJYSZSA-N 1 0 383.286 2.003 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202484 652476837 /nfs/dbraw/zinc/47/68/37/652476837.db2.gz UCLNXTUNNKJMQW-BBRMVZONSA-N 1 0 379.302 2.413 20 30 GEEDRO N#Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c(Br)c1 ZINC000592173402 652590143 /nfs/dbraw/zinc/59/01/43/652590143.db2.gz SCZKEORKOVOGDA-GUYCJALGSA-N 1 0 391.269 2.260 20 30 GEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593716618 652633338 /nfs/dbraw/zinc/63/33/38/652633338.db2.gz UCXCGMMQZJRZOI-UHFFFAOYSA-N 1 0 395.345 2.205 20 30 GEEDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593718105 652633352 /nfs/dbraw/zinc/63/33/52/652633352.db2.gz KJYMKPWLRZOAHA-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO C[C@@H](CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+](C)C ZINC000594820324 652688278 /nfs/dbraw/zinc/68/82/78/652688278.db2.gz BFXXBRFENPXUCV-VIFPVBQESA-N 1 0 378.267 2.078 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000599356155 652863737 /nfs/dbraw/zinc/86/37/37/652863737.db2.gz ADPMATVLRWHIMT-SJORKVTESA-N 1 0 391.265 2.384 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000599414557 652869250 /nfs/dbraw/zinc/86/92/50/652869250.db2.gz GEDJSKZHIQJKBH-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000600030465 652899403 /nfs/dbraw/zinc/89/94/03/652899403.db2.gz CWXZQDGPYREOAT-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CCN(CCCF)CC1 ZINC000600075192 652901877 /nfs/dbraw/zinc/90/18/77/652901877.db2.gz AIYYFQQABRQQCQ-UHFFFAOYSA-N 1 0 384.249 2.203 20 30 GEEDRO N#Cc1ccc(Br)c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000601091601 652953525 /nfs/dbraw/zinc/95/35/25/652953525.db2.gz ORSXAMQMGQRZGI-UHFFFAOYSA-N 1 0 378.270 2.443 20 30 GEEDRO CCC[NH+]1CCN(c2ccccc2C=NNC(=S)NCCSC)CC1 ZINC000769601703 653165213 /nfs/dbraw/zinc/16/52/13/653165213.db2.gz HMRZNHOVMPZVTF-UHFFFAOYSA-N 1 0 379.599 2.380 20 30 GEEDRO C[C@](C#N)(NC(=O)CN1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880702 653211304 /nfs/dbraw/zinc/21/13/04/653211304.db2.gz IFRFGJUKLSOWSS-WMLDXEAASA-N 1 0 393.285 2.106 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000808426276 653229459 /nfs/dbraw/zinc/22/94/59/653229459.db2.gz ABXVVNOERZEWFV-ZDUSSCGKSA-N 1 0 386.311 2.376 20 30 GEEDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCC1(C)C ZINC000874099424 653262870 /nfs/dbraw/zinc/26/28/70/653262870.db2.gz XPJVIBHRKLZISV-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000774956083 653273418 /nfs/dbraw/zinc/27/34/18/653273418.db2.gz OBYGVKHEUOZLEC-GFCCVEGCSA-N 1 0 386.315 2.026 20 30 GEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000874291291 653303070 /nfs/dbraw/zinc/30/30/70/653303070.db2.gz NHKTUDWNJXAHQD-NSHDSACASA-N 1 0 378.527 2.080 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000810130470 653328082 /nfs/dbraw/zinc/32/80/82/653328082.db2.gz ONUVEUJFQTVXBX-UHFFFAOYSA-N 1 0 392.341 2.360 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823604 653338017 /nfs/dbraw/zinc/33/80/17/653338017.db2.gz BFZZVIAGYGNCAK-HOTGVXAUSA-N 1 0 378.270 2.395 20 30 GEEDRO C#C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000836475086 653355035 /nfs/dbraw/zinc/35/50/35/653355035.db2.gz XMWKEFKLVODAMI-INIZCTEOSA-N 1 0 380.286 2.145 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000859327459 653441830 /nfs/dbraw/zinc/44/18/30/653441830.db2.gz SDIVKSMSWWOPEG-RHSMWYFYSA-N 1 0 397.313 2.486 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000815083028 653650684 /nfs/dbraw/zinc/65/06/84/653650684.db2.gz LTKNKAKLIFDQEQ-UHFFFAOYSA-N 1 0 396.310 2.231 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000815106211 653652319 /nfs/dbraw/zinc/65/23/19/653652319.db2.gz QEVAVGOHHWHKCE-ZDUSSCGKSA-N 1 0 393.203 2.230 20 30 GEEDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861354003 653655543 /nfs/dbraw/zinc/65/55/43/653655543.db2.gz RTFYFKRZKPILFB-YOEHRIQHSA-N 1 0 397.269 2.352 20 30 GEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000815652593 653662551 /nfs/dbraw/zinc/66/25/51/653662551.db2.gz JKADDORPDXOEJZ-OAHLLOKOSA-N 1 0 385.327 2.212 20 30 GEEDRO C=C(Br)CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840273340 653681240 /nfs/dbraw/zinc/68/12/40/653681240.db2.gz NBSQDSBBLCJMGG-UHFFFAOYSA-N 1 0 382.302 2.221 20 30 GEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218287 653700884 /nfs/dbraw/zinc/70/08/84/653700884.db2.gz KREXZFTYXWQUJH-WOVMCDHWSA-N 1 0 380.286 2.151 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007990 653704849 /nfs/dbraw/zinc/70/48/49/653704849.db2.gz WIADIIVQLGJMOK-CPCISQLKSA-N 1 0 388.063 2.445 20 30 GEEDRO C#CCC1(O)CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000880477496 653706652 /nfs/dbraw/zinc/70/66/52/653706652.db2.gz RLSLBCZWEKBFRO-UHFFFAOYSA-N 1 0 379.298 2.258 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149704 653707873 /nfs/dbraw/zinc/70/78/73/653707873.db2.gz LEVULPSMXZTVGR-FZMZJTMJSA-N 1 0 378.274 2.282 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199102 653710226 /nfs/dbraw/zinc/71/02/26/653710226.db2.gz BATFEXHXHMRHEV-DGCLKSJQSA-N 1 0 379.251 2.471 20 30 GEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F ZINC000817407312 653710662 /nfs/dbraw/zinc/71/06/62/653710662.db2.gz JEWAWKCYOFNUAK-UHFFFAOYSA-N 1 0 379.379 2.349 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241420 653712093 /nfs/dbraw/zinc/71/20/93/653712093.db2.gz NDUSTDQUPJJFJL-POYBYMJQSA-N 1 0 378.152 2.096 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251384 653712415 /nfs/dbraw/zinc/71/24/15/653712415.db2.gz UGCGXYGMYQOAIF-HQJQHLMTSA-N 1 0 390.612 2.178 20 30 GEEDRO N#CCCNC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786442759 653722476 /nfs/dbraw/zinc/72/24/76/653722476.db2.gz UIIMZKWLSISSHN-UHFFFAOYSA-N 1 0 380.286 2.460 20 30 GEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000818976027 653739742 /nfs/dbraw/zinc/73/97/42/653739742.db2.gz RGCNGCZICDRYKP-OAHLLOKOSA-N 1 0 391.269 2.157 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000819271919 653747662 /nfs/dbraw/zinc/74/76/62/653747662.db2.gz XRRDEJVHGTWEMZ-CYBMUJFWSA-N 1 0 388.990 2.201 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865193910 653756741 /nfs/dbraw/zinc/75/67/41/653756741.db2.gz PJUNDFIYTUCEAK-QGZVFWFLSA-N 1 0 394.313 2.393 20 30 GEEDRO C#C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820612560 653778266 /nfs/dbraw/zinc/77/82/66/653778266.db2.gz XREFQTSIQLHOPY-VBQJREDUSA-N 1 0 394.313 2.220 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1 ZINC000820612486 653778297 /nfs/dbraw/zinc/77/82/97/653778297.db2.gz WSETXLZTOIQZAZ-IRXDYDNUSA-N 1 0 394.313 2.269 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1 ZINC000820612482 653778305 /nfs/dbraw/zinc/77/83/05/653778305.db2.gz WSETXLZTOIQZAZ-DLBZAZTESA-N 1 0 394.313 2.269 20 30 GEEDRO C#C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000820616219 653778445 /nfs/dbraw/zinc/77/84/45/653778445.db2.gz GVIOAAQTMZUJQO-MRXNPFEDSA-N 1 0 394.313 2.222 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459498 653787428 /nfs/dbraw/zinc/78/74/28/653787428.db2.gz FKPRDHLHAZRIOM-WFASDCNBSA-N 1 0 388.269 2.093 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462057 653787621 /nfs/dbraw/zinc/78/76/21/653787621.db2.gz ZKKATZHWFFXYRF-LKFCYVNXSA-N 1 0 381.219 2.402 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194376 653803084 /nfs/dbraw/zinc/80/30/84/653803084.db2.gz FWHZRZMICDMSPV-ABAIWWIYSA-N 1 0 376.869 2.146 20 30 GEEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Br)c(C#N)n2)CCSC1 ZINC000883094762 653826464 /nfs/dbraw/zinc/82/64/64/653826464.db2.gz LAIHSTSKOGWMNQ-AWEZNQCLSA-N 1 0 384.303 2.275 20 30 GEEDRO CN(CCOc1ccc(Br)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884054801 653861689 /nfs/dbraw/zinc/86/16/89/653861689.db2.gz RNJHDRLHFXQUML-TXKKKEFDSA-N 1 0 392.297 2.426 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250316 653869331 /nfs/dbraw/zinc/86/93/31/653869331.db2.gz BTVICJYGQIMVGP-KCJUWKMLSA-N 1 0 397.323 2.404 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250318 653869410 /nfs/dbraw/zinc/86/94/10/653869410.db2.gz BTVICJYGQIMVGP-LDYMZIIASA-N 1 0 397.323 2.404 20 30 GEEDRO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438644 653876964 /nfs/dbraw/zinc/87/69/64/653876964.db2.gz GPCDJQMDOICMLX-LSDHHAIUSA-N 1 0 388.295 2.159 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(I)n1 ZINC000823735605 653878224 /nfs/dbraw/zinc/87/82/24/653878224.db2.gz BJJCWDFDMXDKDC-UHFFFAOYSA-N 1 0 392.266 2.055 20 30 GEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O ZINC000848376498 653973549 /nfs/dbraw/zinc/97/35/49/653973549.db2.gz XWIFVTUGONSVPH-SNVBAGLBSA-N 1 0 383.290 2.336 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000867808748 653990683 /nfs/dbraw/zinc/99/06/83/653990683.db2.gz ONFJUAIISQEQNK-WFASDCNBSA-N 1 0 384.299 2.035 20 30 GEEDRO CNC(NC[C@H]1CCCN1Cc1ccc(I)cc1)=[NH+]C ZINC000849093058 654003925 /nfs/dbraw/zinc/00/39/25/654003925.db2.gz HATXUSXYMIZNGP-CQSZACIVSA-N 1 0 386.281 2.050 20 30 GEEDRO N#C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000900112004 654050526 /nfs/dbraw/zinc/05/05/26/654050526.db2.gz ODMULXPTNQENQD-INIZCTEOSA-N 1 0 378.270 2.241 20 30 GEEDRO N#C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(Br)c1 ZINC000900465299 654065959 /nfs/dbraw/zinc/06/59/59/654065959.db2.gz ZNQPFLXTKVTDBI-INIZCTEOSA-N 1 0 378.270 2.241 20 30 GEEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000829794094 654080461 /nfs/dbraw/zinc/08/04/61/654080461.db2.gz REGZLQXBSVWEKT-CQSZACIVSA-N 1 0 392.297 2.239 20 30 GEEDRO C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000888416298 654082387 /nfs/dbraw/zinc/08/23/87/654082387.db2.gz ZQRKSELNAKJLFS-VXGBXAGGSA-N 1 0 382.921 2.158 20 30 GEEDRO C=CCN1CC[C@H]([N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1=O ZINC000799141877 654085848 /nfs/dbraw/zinc/08/58/48/654085848.db2.gz DQCQNTBXEFGNCB-HNNXBMFYSA-N 1 0 390.281 2.440 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000919841651 654194290 /nfs/dbraw/zinc/19/42/90/654194290.db2.gz DLWJWJYXNHJWCD-QWHCGFSZSA-N 1 0 384.299 2.178 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941703 654210386 /nfs/dbraw/zinc/21/03/86/654210386.db2.gz YTCQZWAOCVEMGH-HQJQHLMTSA-N 1 0 378.148 2.189 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC000871397407 654232831 /nfs/dbraw/zinc/23/28/31/654232831.db2.gz RZGXKPJTCLYMRU-GFCCVEGCSA-N 1 0 375.288 2.301 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000852870349 654264491 /nfs/dbraw/zinc/26/44/91/654264491.db2.gz LCVVHVRIPVYMKE-UHFFFAOYSA-N 1 0 375.778 2.252 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000852907052 654267448 /nfs/dbraw/zinc/26/74/48/654267448.db2.gz BZAGOBWLYOFZQK-KRWDZBQOSA-N 1 0 377.282 2.352 20 30 GEEDRO C[NH+]1CCN(c2ncccc2CNc2cc(Br)cnc2C#N)CC1 ZINC000853234162 654288217 /nfs/dbraw/zinc/28/82/17/654288217.db2.gz NFUXJLPDADKGKP-UHFFFAOYSA-N 1 0 387.285 2.475 20 30 GEEDRO COCC[NH+](CCOC)C1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853619285 654310571 /nfs/dbraw/zinc/31/05/71/654310571.db2.gz YNJKGQDFQVTELN-UHFFFAOYSA-N 1 0 397.317 2.279 20 30 GEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234278 654318669 /nfs/dbraw/zinc/31/86/69/654318669.db2.gz NOMHGNZQCRTUHC-MRXNPFEDSA-N 1 0 376.254 2.440 20 30 GEEDRO C#CCC[NH+]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000892083683 654327583 /nfs/dbraw/zinc/32/75/83/654327583.db2.gz STOPZRDPGFTUTA-UHFFFAOYSA-N 1 0 391.317 2.489 20 30 GEEDRO CCc1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489675 654329816 /nfs/dbraw/zinc/32/98/16/654329816.db2.gz OODDQFIIMGTVRT-NHYWBVRUSA-N 1 0 388.269 2.039 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490308 654329893 /nfs/dbraw/zinc/32/98/93/654329893.db2.gz UDFXVDYOZJSUBU-YUMQZZPRSA-N 1 0 383.296 2.475 20 30 GEEDRO COCCC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921857727 654333132 /nfs/dbraw/zinc/33/31/32/654333132.db2.gz AOVJSHRMIWVGER-UHFFFAOYSA-N 1 0 380.286 2.438 20 30 GEEDRO C[C@@](O)(C[NH2+]CCNc1nccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905135870 654333544 /nfs/dbraw/zinc/33/35/44/654333544.db2.gz QIUVYVXCUPECMX-SECBINFHSA-N 1 0 382.255 2.446 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000922023635 654355924 /nfs/dbraw/zinc/35/59/24/654355924.db2.gz KEYINUPLACCLOP-UHFFFAOYSA-N 1 0 385.873 2.275 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665425 654387844 /nfs/dbraw/zinc/38/78/44/654387844.db2.gz YBCWKKMVAIYCFR-CABCVRRESA-N 1 0 384.299 2.178 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000922509395 654398733 /nfs/dbraw/zinc/39/87/33/654398733.db2.gz FHUAFOUZBIMZFV-HNNXBMFYSA-N 1 0 380.286 2.327 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000923571089 654469270 /nfs/dbraw/zinc/46/92/70/654469270.db2.gz ZHYSUXMLQQDSLS-NSHDSACASA-N 1 0 384.205 2.324 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906773558 654470626 /nfs/dbraw/zinc/47/06/26/654470626.db2.gz NIVCEWGDHYTCPI-UHFFFAOYSA-N 1 0 392.297 2.163 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000906986171 654496369 /nfs/dbraw/zinc/49/63/69/654496369.db2.gz HTRQHXKAICLAQV-WMLDXEAASA-N 1 0 376.507 2.376 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907005660 654498607 /nfs/dbraw/zinc/49/86/07/654498607.db2.gz SNYHWHPSXGLZND-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328961 654532491 /nfs/dbraw/zinc/53/24/91/654532491.db2.gz JXCXCQATTBKULF-HUUCEWRRSA-N 1 0 384.299 2.178 20 30 GEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)C2)s1 ZINC000907344188 654533846 /nfs/dbraw/zinc/53/38/46/654533846.db2.gz CVUSJUSIKSHCJW-HOCLYGCPSA-N 1 0 384.571 2.147 20 30 GEEDRO C#CC[N@@H+](C)CCCN1C(=O)[C@H](c2ccc(Br)s2)N(C)C1=O ZINC000925315450 654540975 /nfs/dbraw/zinc/54/09/75/654540975.db2.gz XZBSRNLPWODTQG-ZDUSSCGKSA-N 1 0 384.299 2.401 20 30 GEEDRO Cc1c(C)c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1I ZINC000926204421 654563251 /nfs/dbraw/zinc/56/32/51/654563251.db2.gz UXCNMNCBYUDQKO-MFKMUULPSA-N 1 0 384.221 2.141 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000928651208 654654352 /nfs/dbraw/zinc/65/43/52/654654352.db2.gz QUVLQPLKXCCGKW-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912904062 654773790 /nfs/dbraw/zinc/77/37/90/654773790.db2.gz VIMZIOKVMNPYDR-MRXNPFEDSA-N 1 0 389.297 2.064 20 30 GEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2csc(C#N)c2)cc1 ZINC000913936938 654817236 /nfs/dbraw/zinc/81/72/36/654817236.db2.gz DACOBQWEAUDHKH-UHFFFAOYSA-N 1 0 379.507 2.180 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC1 ZINC000914171581 654831574 /nfs/dbraw/zinc/83/15/74/654831574.db2.gz YRMJNCFIKOUHFZ-IZAXUBKRSA-N 1 0 391.309 2.261 20 30 GEEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164407232 718861158 /nfs/dbraw/zinc/86/11/58/718861158.db2.gz YGCLDSJDXNADBB-UHFFFAOYSA-N 1 0 391.809 2.392 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(Cl)c3C#N)CC2)CC1 ZINC001164614327 719023452 /nfs/dbraw/zinc/02/34/52/719023452.db2.gz RJEDSJMGONZADC-UHFFFAOYSA-N 1 0 377.876 2.246 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164690318 719736051 /nfs/dbraw/zinc/73/60/51/719736051.db2.gz ZUZWXICGWLHTRF-UHFFFAOYSA-N 1 0 390.491 2.196 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C)c1C#N)C2 ZINC001164809661 720120388 /nfs/dbraw/zinc/12/03/88/720120388.db2.gz HUZVUQZQMDMUPH-DNVCBOLYSA-N 1 0 375.904 2.495 20 30 GEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001164820042 720186730 /nfs/dbraw/zinc/18/67/30/720186730.db2.gz ZDJIBHLUSFPHHV-KNQAVFIVSA-N 1 0 382.508 2.211 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001164820047 720187119 /nfs/dbraw/zinc/18/71/19/720187119.db2.gz ZDJIBHLUSFPHHV-UGKGYDQZSA-N 1 0 382.508 2.211 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001164827049 720323357 /nfs/dbraw/zinc/32/33/57/720323357.db2.gz GMFIISYPUBBNNY-OALUTQOASA-N 1 0 392.507 2.346 20 30 GEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)C1 ZINC001164734836 720520506 /nfs/dbraw/zinc/52/05/06/720520506.db2.gz RQTRGZPRDQPWGZ-OAHLLOKOSA-N 1 0 395.511 2.332 20 30 GEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164743037 720621723 /nfs/dbraw/zinc/62/17/23/720621723.db2.gz OKMLXOAGHORTGC-CABCVRRESA-N 1 0 384.871 2.355 20 30 GEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737423 720817929 /nfs/dbraw/zinc/81/79/29/720817929.db2.gz AZTCWTYQGUWXNQ-SLFFLAALSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@@H]2C1 ZINC001164864370 720887960 /nfs/dbraw/zinc/88/79/60/720887960.db2.gz VLJJFJHYCJDZNB-WOJBJXKFSA-N 1 0 387.600 2.484 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@H]2C1 ZINC001164864358 720888012 /nfs/dbraw/zinc/88/80/12/720888012.db2.gz VLJJFJHYCJDZNB-PMACEKPBSA-N 1 0 387.600 2.484 20 30 GEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)c(C#N)nc1Cl)[C@H]2C ZINC001164860439 720962932 /nfs/dbraw/zinc/96/29/32/720962932.db2.gz PSQUUWLYGJOCJI-LBPRGKRZSA-N 1 0 384.875 2.491 20 30 GEEDRO N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866039 721061309 /nfs/dbraw/zinc/06/13/09/721061309.db2.gz BXKFRCQTPDOGHL-RTBURBONSA-N 1 0 386.459 2.376 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893549 721386958 /nfs/dbraw/zinc/38/69/58/721386958.db2.gz VBPCMDZKSSZIAC-UZLBHIALSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890794 721426858 /nfs/dbraw/zinc/42/68/58/721426858.db2.gz FUQXMSUXEQEFEB-QUCCMNQESA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888747 721428717 /nfs/dbraw/zinc/42/87/17/721428717.db2.gz AQJDRGHEUQKSHT-AVRDEDQJSA-N 1 0 394.523 2.200 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889537 721431035 /nfs/dbraw/zinc/43/10/35/721431035.db2.gz BKKSSIXXJPXVLV-GCJKJVERSA-N 1 0 394.523 2.200 20 30 GEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902817 721528326 /nfs/dbraw/zinc/52/83/26/721528326.db2.gz BHWYGVBRBHNQQX-FUHWJXTLSA-N 1 0 383.383 2.342 20 30 GEEDRO COC(=O)c1cc(C#N)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909222 721563262 /nfs/dbraw/zinc/56/32/62/721563262.db2.gz TUWHTAIBYFEVHQ-AEFFLSMTSA-N 1 0 396.422 2.221 20 30 GEEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C=NO)c1 ZINC001164809835 721570274 /nfs/dbraw/zinc/57/02/74/721570274.db2.gz XKNUMNUERABPRZ-SLFFLAALSA-N 1 0 381.480 2.461 20 30 GEEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967824 722074197 /nfs/dbraw/zinc/07/41/97/722074197.db2.gz YGGVVJPLEHUVET-CALCHBBNSA-N 1 0 383.496 2.237 20 30 GEEDRO COc1cc(C#N)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978327 722121350 /nfs/dbraw/zinc/12/13/50/722121350.db2.gz OKUIGWYTXAFQLJ-XLIONFOSSA-N 1 0 379.464 2.084 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155238677 531668372 /nfs/dbraw/zinc/66/83/72/531668372.db2.gz AZKICERPUXTRMW-ABAIWWIYSA-N 1 0 386.315 2.281 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000155235721 531666250 /nfs/dbraw/zinc/66/62/50/531666250.db2.gz AWSQZRAUJDUUIF-CYBMUJFWSA-N 1 0 398.326 2.427 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736549 532075131 /nfs/dbraw/zinc/07/51/31/532075131.db2.gz UYQSVMIQSSCXSP-WFASDCNBSA-N 1 0 383.279 2.084 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2C(=O)NC)CC1 ZINC000128841695 532169321 /nfs/dbraw/zinc/16/93/21/532169321.db2.gz RAESLSIKELOVQH-UHFFFAOYSA-N 1 0 378.270 2.092 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181232271 532293773 /nfs/dbraw/zinc/29/37/73/532293773.db2.gz NYMMRTDIAUJROO-CYBMUJFWSA-N 1 0 380.286 2.390 20 30 GEEDRO COc1c(Br)cccc1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000187239976 532343642 /nfs/dbraw/zinc/34/36/42/532343642.db2.gz FDPPAIJRMPYAEY-PEZBUJJGSA-N 1 0 380.242 2.074 20 30 GEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000294641613 532373948 /nfs/dbraw/zinc/37/39/48/532373948.db2.gz OZICMHDQJNTCLS-INIZCTEOSA-N 1 0 391.313 2.173 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294723188 532377176 /nfs/dbraw/zinc/37/71/76/532377176.db2.gz VHGBJAZMCPIWIY-UHFFFAOYSA-N 1 0 390.285 2.410 20 30 GEEDRO C#CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000294834460 532386230 /nfs/dbraw/zinc/38/62/30/532386230.db2.gz XQHQONODKNBGGQ-CYBMUJFWSA-N 1 0 380.286 2.178 20 30 GEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000294860644 532387902 /nfs/dbraw/zinc/38/79/02/532387902.db2.gz SYYYHGMOXOBYAD-SMDDNHRTSA-N 1 0 393.285 2.200 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)ccc(Br)c1C#N ZINC000425745583 532392068 /nfs/dbraw/zinc/39/20/68/532392068.db2.gz SPHCEOGCOWCMTL-JTQLQIEISA-N 1 0 381.274 2.024 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nnnn2C)cc1OCC ZINC000678498218 532396759 /nfs/dbraw/zinc/39/67/59/532396759.db2.gz FJQHGWQBCKVSSV-UHFFFAOYSA-N 1 0 396.289 2.268 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)nc1 ZINC000561785249 532452473 /nfs/dbraw/zinc/45/24/73/532452473.db2.gz PEEUDDGZBVVFFO-MRXNPFEDSA-N 1 0 379.869 2.094 20 30 GEEDRO CC[NH+]1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592747842 532459113 /nfs/dbraw/zinc/45/91/13/532459113.db2.gz NMFRWXNVAGVONL-UHFFFAOYSA-N 1 0 391.313 2.357 20 30 GEEDRO CC[N@@H+]1CC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592751572 532459167 /nfs/dbraw/zinc/45/91/67/532459167.db2.gz ZPPKWHXRZKVTMX-CYBMUJFWSA-N 1 0 391.313 2.215 20 30 GEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592763989 532460402 /nfs/dbraw/zinc/46/04/02/532460402.db2.gz RNGHBQMYHURMED-LBPRGKRZSA-N 1 0 379.302 2.213 20 30 GEEDRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593464367 532482749 /nfs/dbraw/zinc/48/27/49/532482749.db2.gz FHCCDLPFELUCQB-UHFFFAOYSA-N 1 0 393.329 2.007 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000520549216 532494883 /nfs/dbraw/zinc/49/48/83/532494883.db2.gz KNBGAAJNSLYYFB-UHFFFAOYSA-N 1 0 385.295 2.417 20 30 GEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000374588014 532513285 /nfs/dbraw/zinc/51/32/85/532513285.db2.gz UXKNSFYWZORINZ-UKPHBRMFSA-N 1 0 384.933 2.401 20 30 GEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCS(=O)(=O)C1 ZINC000432482606 532539940 /nfs/dbraw/zinc/53/99/40/532539940.db2.gz HHTUOSUGYAVXTN-HNNXBMFYSA-N 1 0 384.571 2.019 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000595075786 532543097 /nfs/dbraw/zinc/54/30/97/532543097.db2.gz YTZNDCZTUVRYSH-LBPRGKRZSA-N 1 0 393.285 2.248 20 30 GEEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000296573739 532529484 /nfs/dbraw/zinc/52/94/84/532529484.db2.gz DIRWWNDFIPOCNB-SNVBAGLBSA-N 1 0 390.278 2.032 20 30 GEEDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595345194 532558248 /nfs/dbraw/zinc/55/82/48/532558248.db2.gz NSVCHVPJSRFLGC-GFCCVEGCSA-N 1 0 386.315 2.426 20 30 GEEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@]1(O)CCSC1 ZINC000262044231 532582654 /nfs/dbraw/zinc/58/26/54/532582654.db2.gz YSUQHLIRTDQPOF-ZFWWWQNUSA-N 1 0 378.325 2.060 20 30 GEEDRO CNC(=O)CC1CCN(C(NCc2nc(C(F)(F)F)cs2)=[NH+]C)CC1 ZINC000261735265 532577533 /nfs/dbraw/zinc/57/75/33/532577533.db2.gz JWUFPXPKNAMNCT-UHFFFAOYSA-N 1 0 377.436 2.085 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]CC ZINC000566549609 532615076 /nfs/dbraw/zinc/61/50/76/532615076.db2.gz FNEPKLPJHMLCQM-UHFFFAOYSA-N 1 0 384.274 2.068 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000597532454 532620584 /nfs/dbraw/zinc/62/05/84/532620584.db2.gz AQFRTICFUCDTCK-NVXWUHKLSA-N 1 0 391.313 2.356 20 30 GEEDRO C#CC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000298356471 532645050 /nfs/dbraw/zinc/64/50/50/532645050.db2.gz CCBFWMGDJWWVMH-UHFFFAOYSA-N 1 0 383.901 2.018 20 30 GEEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000567866225 532666724 /nfs/dbraw/zinc/66/67/24/532666724.db2.gz RGLOJJWMYLSSRN-WDEREUQCSA-N 1 0 376.511 2.949 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000567861607 532666993 /nfs/dbraw/zinc/66/69/93/532666993.db2.gz HKGHBEHOTVQIFO-KBPBESRZSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378233857 532685291 /nfs/dbraw/zinc/68/52/91/532685291.db2.gz UWUITDRDASOONR-BBRMVZONSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccsc2S1(=O)=O ZINC000600739573 532681427 /nfs/dbraw/zinc/68/14/27/532681427.db2.gz QNSGSOKHKRTHFK-GUTXKFCHSA-N 1 0 384.523 2.016 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000266870748 532728190 /nfs/dbraw/zinc/72/81/90/532728190.db2.gz XMSYPXQNQZTZNM-MRXNPFEDSA-N 1 0 379.302 2.158 20 30 GEEDRO N#Cc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000408450546 532719401 /nfs/dbraw/zinc/71/94/01/532719401.db2.gz FKPBFSBRCFMECV-UHFFFAOYSA-N 1 0 378.270 2.258 20 30 GEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000540780270 532744235 /nfs/dbraw/zinc/74/42/35/532744235.db2.gz VLKIIFHREDFTEQ-ZDUSSCGKSA-N 1 0 386.233 2.397 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000410157156 532736367 /nfs/dbraw/zinc/73/63/67/532736367.db2.gz WSANOTQQHWYHGD-MRXNPFEDSA-N 1 0 388.603 2.054 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286582351 532756827 /nfs/dbraw/zinc/75/68/27/532756827.db2.gz VCTJOUYHAGDLND-HNNXBMFYSA-N 1 0 381.567 2.112 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000411401163 532760278 /nfs/dbraw/zinc/76/02/78/532760278.db2.gz WRMWIFQIVVQCHG-UHFFFAOYSA-N 1 0 398.301 2.457 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584231847 532767618 /nfs/dbraw/zinc/76/76/18/532767618.db2.gz TYZXXNCFKQSZLX-OLZOCXBDSA-N 1 0 398.326 2.331 20 30 GEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287301881 532790518 /nfs/dbraw/zinc/79/05/18/532790518.db2.gz CZLQNUSMKIWVBA-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000329360052 532806349 /nfs/dbraw/zinc/80/63/49/532806349.db2.gz XUCNPLQAMQOROL-CYBMUJFWSA-N 1 0 383.539 2.488 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000287624474 532803335 /nfs/dbraw/zinc/80/33/35/532803335.db2.gz ZAZLOIQWBDCOPI-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 ZINC000272475205 532815798 /nfs/dbraw/zinc/81/57/98/532815798.db2.gz UHTVJWPWANXGSI-WFASDCNBSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000272475202 532815908 /nfs/dbraw/zinc/81/59/08/532815908.db2.gz UHTVJWPWANXGSI-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000330482194 532819452 /nfs/dbraw/zinc/81/94/52/532819452.db2.gz SSYXTBYRXMTVCL-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000272924888 532819925 /nfs/dbraw/zinc/81/99/25/532819925.db2.gz YNVWLYLQAGKRKL-LBPRGKRZSA-N 1 0 389.315 2.357 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000330619169 532822880 /nfs/dbraw/zinc/82/28/80/532822880.db2.gz ZAMLHKVKGMNULA-LSDHHAIUSA-N 1 0 386.315 2.271 20 30 GEEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCSC1 ZINC000331106181 532833156 /nfs/dbraw/zinc/83/31/56/532833156.db2.gz QWRCXZCPSYSLCT-OAHLLOKOSA-N 1 0 391.946 2.453 20 30 GEEDRO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCn1cc(Br)cn1 ZINC000288731707 532836621 /nfs/dbraw/zinc/83/66/21/532836621.db2.gz GSBXXFQMDMBTLB-UHFFFAOYSA-N 1 0 376.258 2.478 20 30 GEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000415496530 532847797 /nfs/dbraw/zinc/84/77/97/532847797.db2.gz OBKYBDBJBUKFCR-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000332496523 532856349 /nfs/dbraw/zinc/85/63/49/532856349.db2.gz VCFICEDILLFUGM-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1([NH+](C)C)CC1 ZINC000416302147 532869910 /nfs/dbraw/zinc/86/99/10/532869910.db2.gz NNKABLJZARKOEW-UHFFFAOYSA-N 1 0 396.285 2.309 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000291538677 532904059 /nfs/dbraw/zinc/90/40/59/532904059.db2.gz RYICJDRBOYMRQH-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293326754 532925367 /nfs/dbraw/zinc/92/53/67/532925367.db2.gz IBQQZPKSLYHMPE-LBPRGKRZSA-N 1 0 393.285 2.059 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682831 532926528 /nfs/dbraw/zinc/92/65/28/532926528.db2.gz BXUVECXEKRRJHL-GDBMZVCRSA-N 1 0 379.844 2.466 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)CC1 ZINC000735426669 598361512 /nfs/dbraw/zinc/36/15/12/598361512.db2.gz UTVNKXCNRQNROE-UHFFFAOYSA-N 1 0 399.524 2.241 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000819743164 599676694 /nfs/dbraw/zinc/67/66/94/599676694.db2.gz DKQDTVGBOIWGLM-UHFFFAOYSA-N 1 0 383.500 2.439 20 30 GEEDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000737123497 600593691 /nfs/dbraw/zinc/59/36/91/600593691.db2.gz VGXVXOZMQHIFBC-HXUWFJFHSA-N 1 0 379.464 2.011 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821586112 606511989 /nfs/dbraw/zinc/51/19/89/606511989.db2.gz KDMYYXAPEDLEDI-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)OCC ZINC000823872714 607882563 /nfs/dbraw/zinc/88/25/63/607882563.db2.gz CUZFMWPRPNYWAC-GOSISDBHSA-N 1 0 386.500 2.128 20 30 GEEDRO C=C[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823882962 608021889 /nfs/dbraw/zinc/02/18/89/608021889.db2.gz HCRQEAUUHRTHGA-ZDUSSCGKSA-N 1 0 380.456 2.040 20 30 GEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553269 608464542 /nfs/dbraw/zinc/46/45/42/608464542.db2.gz AVSYEEBVTXHXGH-HNNXBMFYSA-N 1 0 375.436 2.464 20 30 GEEDRO N#CCc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000826382708 609513252 /nfs/dbraw/zinc/51/32/52/609513252.db2.gz RKGFCYIOCMNTQH-UHFFFAOYSA-N 1 0 377.427 2.394 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000449857453 650053923 /nfs/dbraw/zinc/05/39/23/650053923.db2.gz BJBNSTNNHABZNV-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450027219 650058673 /nfs/dbraw/zinc/05/86/73/650058673.db2.gz KSTZNNBIJYHDSO-ZDUSSCGKSA-N 1 0 394.313 2.486 20 30 GEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449860051 650054344 /nfs/dbraw/zinc/05/43/44/650054344.db2.gz IHKLJKLGUOGNOC-QWHCGFSZSA-N 1 0 378.270 2.395 20 30 GEEDRO N#Cc1cccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000450056575 650059129 /nfs/dbraw/zinc/05/91/29/650059129.db2.gz LNXPEMPHUYWJOT-CYBMUJFWSA-N 1 0 378.270 2.115 20 30 GEEDRO CS[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1[NH+](C)C ZINC000450266726 650063331 /nfs/dbraw/zinc/06/33/31/650063331.db2.gz STRBNXXGBMMATM-UKRRQHHQSA-N 1 0 398.326 2.204 20 30 GEEDRO C[NH+](C)CCOc1cnccc1CNc1ncc(Br)cc1C#N ZINC000450526843 650066810 /nfs/dbraw/zinc/06/68/10/650066810.db2.gz HQUZZVQHDXSMLP-UHFFFAOYSA-N 1 0 376.258 2.663 20 30 GEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@@H+]1C ZINC000451243260 650097621 /nfs/dbraw/zinc/09/76/21/650097621.db2.gz KKXQEANTZJKHHK-ONGXEEELSA-N 1 0 390.278 2.221 20 30 GEEDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174296 650093256 /nfs/dbraw/zinc/09/32/56/650093256.db2.gz WITGPDVHZDGKGJ-SNVBAGLBSA-N 1 0 392.294 2.468 20 30 GEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C ZINC000451430685 650113252 /nfs/dbraw/zinc/11/32/52/650113252.db2.gz NMIKYNLKLIXEBZ-UHFFFAOYSA-N 1 0 392.294 2.468 20 30 GEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453361745 650208602 /nfs/dbraw/zinc/20/86/02/650208602.db2.gz PIGBLCJXIUAONI-BIMULSAOSA-N 1 0 375.288 2.091 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000454107742 650253701 /nfs/dbraw/zinc/25/37/01/650253701.db2.gz RQUSHLRVVWHUDV-CQSZACIVSA-N 1 0 393.285 2.200 20 30 GEEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC000455450560 650304385 /nfs/dbraw/zinc/30/43/85/650304385.db2.gz CUQPTVFPOPLGEX-CQSZACIVSA-N 1 0 381.274 2.289 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000480734537 650629873 /nfs/dbraw/zinc/62/98/73/650629873.db2.gz QKHQYVNUWCLIMV-IAGOWNOFSA-N 1 0 383.514 2.039 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ncn(C)n2)cc1OC ZINC000531525187 650740263 /nfs/dbraw/zinc/74/02/63/650740263.db2.gz BECMCTVUPYEZSW-UHFFFAOYSA-N 1 0 381.274 2.483 20 30 GEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(I)c1 ZINC000539003488 650840761 /nfs/dbraw/zinc/84/07/61/650840761.db2.gz QKEGZIUFOIFIGI-UHFFFAOYSA-N 1 0 399.232 2.018 20 30 GEEDRO COc1ccc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000128035082 643790625 /nfs/dbraw/zinc/79/06/25/643790625.db2.gz VEBSDKWALWTCHQ-NXVVXOECSA-N 1 0 380.242 2.074 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH+]=C(NCc2ccccc2)N(C)C)s1 ZINC000151421364 643943421 /nfs/dbraw/zinc/94/34/21/643943421.db2.gz BKBRAMREULVXDI-UHFFFAOYSA-N 1 0 380.539 2.042 20 30 GEEDRO COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000151409412 643943497 /nfs/dbraw/zinc/94/34/97/643943497.db2.gz JBDRJAUEQIZUFK-UHFFFAOYSA-N 1 0 382.511 2.079 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000499402693 650882271 /nfs/dbraw/zinc/88/22/71/650882271.db2.gz BBEXUGRCFUMOEF-NSHDSACASA-N 1 0 395.301 2.352 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000179820062 644476393 /nfs/dbraw/zinc/47/63/93/644476393.db2.gz XHYBUMLRJZPHNU-UHFFFAOYSA-N 1 0 380.286 2.288 20 30 GEEDRO CS(=O)(=O)CCCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000187055551 645081716 /nfs/dbraw/zinc/08/17/16/645081716.db2.gz ZKCJHHTYEVJKFF-UHFFFAOYSA-N 1 0 381.420 2.204 20 30 GEEDRO [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCCO1 ZINC000261725751 645596487 /nfs/dbraw/zinc/59/64/87/645596487.db2.gz GOXAQYNNRJAQKI-BBRMVZONSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)N(C)Cc1cc(Br)cn1C ZINC000261849448 645605068 /nfs/dbraw/zinc/60/50/68/645605068.db2.gz XVAITZJSLRKBLN-INIZCTEOSA-N 1 0 383.290 2.296 20 30 GEEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Cl)cn1C ZINC000261939897 645614240 /nfs/dbraw/zinc/61/42/40/645614240.db2.gz DHLMFKNCXCELAD-UHFFFAOYSA-N 1 0 382.917 2.289 20 30 GEEDRO C[NH+]=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261998587 645615117 /nfs/dbraw/zinc/61/51/17/645615117.db2.gz SYYKSVXNPTYUTA-UHFFFAOYSA-N 1 0 383.945 2.456 20 30 GEEDRO C[NH+]=C(NC[C@@H](OC)c1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262011403 645615694 /nfs/dbraw/zinc/61/56/94/645615694.db2.gz WQNHXFQSYFIQSI-OAHLLOKOSA-N 1 0 387.933 2.112 20 30 GEEDRO Cc1cc(Br)cn2cc(CCNC(=[NH2+])N3CCSCC3)nc12 ZINC000262369677 645629163 /nfs/dbraw/zinc/62/91/63/645629163.db2.gz LGANTANBLZFLNR-UHFFFAOYSA-N 1 0 382.331 2.311 20 30 GEEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1 ZINC000262409284 645629707 /nfs/dbraw/zinc/62/97/07/645629707.db2.gz PAWHIKXWRARRBO-JYJNAYRXSA-N 1 0 375.604 2.239 20 30 GEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1 ZINC000262435375 645630109 /nfs/dbraw/zinc/63/01/09/645630109.db2.gz SZGMUIRVOPXGDC-INIZCTEOSA-N 1 0 385.599 2.304 20 30 GEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262775500 645645484 /nfs/dbraw/zinc/64/54/84/645645484.db2.gz JESQIKURIUOCFG-AWEZNQCLSA-N 1 0 395.345 2.498 20 30 GEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262792645 645645937 /nfs/dbraw/zinc/64/59/37/645645937.db2.gz OMNHEFOAZIJZIW-ZDUSSCGKSA-N 1 0 381.318 2.108 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000277544783 646439378 /nfs/dbraw/zinc/43/93/78/646439378.db2.gz XEDOQZPFYKTWNO-UHFFFAOYSA-N 1 0 382.302 2.227 20 30 GEEDRO C#CCSCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295679408 647237073 /nfs/dbraw/zinc/23/70/73/647237073.db2.gz KUCJIXNEIVFDJP-GFCCVEGCSA-N 1 0 385.327 2.418 20 30 GEEDRO C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000331055198 647365217 /nfs/dbraw/zinc/36/52/17/647365217.db2.gz KJJHLIZSLCVWEC-LBPRGKRZSA-N 1 0 385.306 2.208 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000332107929 647411845 /nfs/dbraw/zinc/41/18/45/647411845.db2.gz ZZURHMMRYITYAR-CVEARBPZSA-N 1 0 385.942 2.412 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000333627590 647477287 /nfs/dbraw/zinc/47/72/87/647477287.db2.gz GBYCAJFOTOHSKP-DOTOQJQBSA-N 1 0 383.901 2.119 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786350 647704317 /nfs/dbraw/zinc/70/43/17/647704317.db2.gz FIUFRWZERBXZCR-DYVFJYSZSA-N 1 0 376.507 2.376 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21 ZINC000367769921 647743983 /nfs/dbraw/zinc/74/39/83/647743983.db2.gz COMSPQLCGSJTQQ-BXUZGUMPSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1c(Br)cccc1N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368174214 647752849 /nfs/dbraw/zinc/75/28/49/647752849.db2.gz DUKKGDPYYJGPDL-CYBMUJFWSA-N 1 0 398.326 2.066 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000374650887 647824309 /nfs/dbraw/zinc/82/43/09/647824309.db2.gz YOKMMNKXEBRDDC-UHFFFAOYSA-N 1 0 382.306 2.120 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000411665472 648029876 /nfs/dbraw/zinc/02/98/76/648029876.db2.gz GIRXMGFGNQOQIK-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000419639163 648358688 /nfs/dbraw/zinc/35/86/88/648358688.db2.gz GRYMAFAOKTWJLV-GXTWGEPZSA-N 1 0 391.269 2.002 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420197830 648408758 /nfs/dbraw/zinc/40/87/58/648408758.db2.gz CCHJGLNLRWFOQF-HZSPNIEDSA-N 1 0 381.929 2.420 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)c(Br)c2)c1C#N ZINC000517502617 648567915 /nfs/dbraw/zinc/56/79/15/648567915.db2.gz SPXYZAMYJVZEGY-UHFFFAOYSA-N 1 0 392.257 2.457 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000550434003 651111394 /nfs/dbraw/zinc/11/13/94/651111394.db2.gz IDHUYFTWUCWYJU-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCCC1 ZINC000550435181 651111411 /nfs/dbraw/zinc/11/14/11/651111411.db2.gz DZMQCRQFAYHLMR-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000550837150 651115738 /nfs/dbraw/zinc/11/57/38/651115738.db2.gz OAIQGXIPWOYFFO-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)cc1 ZINC000554978392 651215355 /nfs/dbraw/zinc/21/53/55/651215355.db2.gz KCMQLDMMPRXLPE-UHFFFAOYSA-N 1 0 376.507 2.266 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N\[C@@H](C)c1cccs1 ZINC000730145096 651591156 /nfs/dbraw/zinc/59/11/56/651591156.db2.gz WNSNMQXFHYKXMI-PJCYBFAGSA-N 1 0 382.555 2.197 20 30 GEEDRO C#CC[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733198212 651693017 /nfs/dbraw/zinc/69/30/17/651693017.db2.gz YXGIWBXDTJRDML-RDJZCZTQSA-N 1 0 390.281 2.466 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000736309029 651817795 /nfs/dbraw/zinc/81/77/95/651817795.db2.gz REHLXUCRAOHVEV-UHFFFAOYSA-N 1 0 392.297 2.239 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000574323124 652016104 /nfs/dbraw/zinc/01/61/04/652016104.db2.gz YYFFJUAGYGNJBA-HAQNSBGRSA-N 1 0 386.315 2.364 20 30 GEEDRO Cc1nc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000619168292 652046129 /nfs/dbraw/zinc/04/61/29/652046129.db2.gz WTESLNRTODODTJ-UHFFFAOYSA-N 1 0 378.523 2.217 20 30 GEEDRO N#CCc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000619476079 652060742 /nfs/dbraw/zinc/06/07/42/652060742.db2.gz BNGOKKZWGAGTKH-UHFFFAOYSA-N 1 0 379.551 2.393 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCN(C)C[C@H]2C[NH3+])cc1OCC ZINC000576280175 652102845 /nfs/dbraw/zinc/10/28/45/652102845.db2.gz VXCGHACBXHUPJR-OAHLLOKOSA-N 1 0 398.345 2.487 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000576865581 652148946 /nfs/dbraw/zinc/14/89/46/652148946.db2.gz AJHBFCCELNUWLN-UHFFFAOYSA-N 1 0 376.507 2.047 20 30 GEEDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000578026684 652237266 /nfs/dbraw/zinc/23/72/66/652237266.db2.gz PBGHLWOORZEEBE-JTQLQIEISA-N 1 0 390.278 2.080 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)cc1OC ZINC000623538138 652245552 /nfs/dbraw/zinc/24/55/52/652245552.db2.gz YJCWZGLGDCRHDN-ZDUSSCGKSA-N 1 0 376.906 2.331 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000578803083 652294992 /nfs/dbraw/zinc/29/49/92/652294992.db2.gz JECSJSFPSVLSMI-HNNXBMFYSA-N 1 0 384.571 2.475 20 30 GEEDRO C=CCN1CC[C@@H]([NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796934 652371738 /nfs/dbraw/zinc/37/17/38/652371738.db2.gz NZAKJOPFOLULEO-AEFFLSMTSA-N 1 0 379.298 2.045 20 30 GEEDRO N#Cc1cnn2c1NC[C@H](C[NH+]1CCN(Cc3ccc(Cl)s3)CC1)C2 ZINC000580565070 652384003 /nfs/dbraw/zinc/38/40/03/652384003.db2.gz TZRLAPKVAMUNAT-CYBMUJFWSA-N 1 0 376.917 2.329 20 30 GEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000753909960 652420611 /nfs/dbraw/zinc/42/06/11/652420611.db2.gz IRZGUXPIWVFMBX-NSHDSACASA-N 1 0 378.479 2.281 20 30 GEEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCn1cnc(C#N)n1 ZINC000583923217 652502757 /nfs/dbraw/zinc/50/27/57/652502757.db2.gz YRROUNLSHQPUEX-GFCCVEGCSA-N 1 0 395.248 2.365 20 30 GEEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCn1cnc(C#N)n1 ZINC000583923218 652502835 /nfs/dbraw/zinc/50/28/35/652502835.db2.gz YRROUNLSHQPUEX-LBPRGKRZSA-N 1 0 395.248 2.365 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588633789 652553530 /nfs/dbraw/zinc/55/35/30/652553530.db2.gz OYQQKHPEDQZZRV-ZDUSSCGKSA-N 1 0 393.285 2.250 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CC([NH+](C)C)C1 ZINC000588828502 652556141 /nfs/dbraw/zinc/55/61/41/652556141.db2.gz IUQFEIKHKVBWQU-UHFFFAOYSA-N 1 0 396.285 2.307 20 30 GEEDRO O=C(CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F)NC(=O)NCC(F)(F)F ZINC000593055623 652613133 /nfs/dbraw/zinc/61/31/33/652613133.db2.gz XLBYHHZFAQLQPX-UHFFFAOYSA-N 1 0 379.276 2.131 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000760629996 652618784 /nfs/dbraw/zinc/61/87/84/652618784.db2.gz JOGZFAHLBXRWCI-UHFFFAOYSA-N 1 0 396.272 2.438 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(I)c(O)c2)CC1 ZINC000760895607 652627319 /nfs/dbraw/zinc/62/73/19/652627319.db2.gz WQDPLRDWVKKHQB-UHFFFAOYSA-N 1 0 398.244 2.214 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593733469 652633976 /nfs/dbraw/zinc/63/39/76/652633976.db2.gz HKJRBDPKOLHINS-HEHGZKQESA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1cc(F)c(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000596014857 652746565 /nfs/dbraw/zinc/74/65/65/652746565.db2.gz UTFRGFNWWYBUSK-GFCCVEGCSA-N 1 0 379.237 2.352 20 30 GEEDRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1Br ZINC000598730081 652832000 /nfs/dbraw/zinc/83/20/00/652832000.db2.gz QVRVALXLNJEMFA-CABCVRRESA-N 1 0 399.329 2.499 20 30 GEEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728646 652832042 /nfs/dbraw/zinc/83/20/42/652832042.db2.gz DYVKFDRATHETAT-CZUORRHYSA-N 1 0 399.329 2.499 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000599102184 652849589 /nfs/dbraw/zinc/84/95/89/652849589.db2.gz OZCIIUOUQNKIGM-CMPLNLGQSA-N 1 0 381.807 2.359 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000599100624 652849613 /nfs/dbraw/zinc/84/96/13/652849613.db2.gz KUPNKVPLNIZUMB-MNOVXSKESA-N 1 0 381.807 2.359 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000599100625 652849667 /nfs/dbraw/zinc/84/96/67/652849667.db2.gz KUPNKVPLNIZUMB-QWRGUYRKSA-N 1 0 381.807 2.359 20 30 GEEDRO Brc1cc(N=NC2CC[NH+](CCN3CCOCC3)CC2)ccn1 ZINC000769811045 653178856 /nfs/dbraw/zinc/17/88/56/653178856.db2.gz VTMCSMRSFKSVMU-UHFFFAOYSA-N 1 0 382.306 2.040 20 30 GEEDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(C)s1 ZINC000602575283 653192045 /nfs/dbraw/zinc/19/20/45/653192045.db2.gz RRSPCVMEAMBYAP-ZDUSSCGKSA-N 1 0 385.555 2.332 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nccn2c(Br)cnc12 ZINC000770156197 653200965 /nfs/dbraw/zinc/20/09/65/653200965.db2.gz HQFIGCDTTQUIBF-LBPRGKRZSA-N 1 0 379.258 2.382 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000808924846 653237368 /nfs/dbraw/zinc/23/73/68/653237368.db2.gz WGDSNFJAFKQDKU-MRXNPFEDSA-N 1 0 396.329 2.284 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823603 653338083 /nfs/dbraw/zinc/33/80/83/653338083.db2.gz BFZZVIAGYGNCAK-CVEARBPZSA-N 1 0 378.270 2.395 20 30 GEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826841 653338345 /nfs/dbraw/zinc/33/83/45/653338345.db2.gz QDWNTZHRDDGAPW-GJZGRUSLSA-N 1 0 378.270 2.395 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000836446021 653352684 /nfs/dbraw/zinc/35/26/84/653352684.db2.gz PEVMVGJDCMAQGO-AWEZNQCLSA-N 1 0 384.249 2.276 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567339 653436171 /nfs/dbraw/zinc/43/61/71/653436171.db2.gz IWJLUYLAYUNXSA-VIFPVBQESA-N 1 0 382.173 2.488 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000876644746 653440892 /nfs/dbraw/zinc/44/08/92/653440892.db2.gz HCXIMPSCBVLQAR-VIFPVBQESA-N 1 0 384.670 2.481 20 30 GEEDRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000877128435 653467675 /nfs/dbraw/zinc/46/76/75/653467675.db2.gz BHLORZIOSMYFGH-INIZCTEOSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Br)ccc1OCC ZINC000815082129 653650351 /nfs/dbraw/zinc/65/03/51/653650351.db2.gz AGFRQWDAWQDZRR-UHFFFAOYSA-N 1 0 389.315 2.081 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc(Br)s2)c1C#N ZINC000839489082 653651579 /nfs/dbraw/zinc/65/15/79/653651579.db2.gz IQUZGTAIGIEFTP-UHFFFAOYSA-N 1 0 396.270 2.079 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+]1CCCCC1 ZINC000815401517 653658401 /nfs/dbraw/zinc/65/84/01/653658401.db2.gz BNPMSGJWJZKWTR-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000816705096 653690851 /nfs/dbraw/zinc/69/08/51/653690851.db2.gz SPPBBMREEWQPMA-MRXNPFEDSA-N 1 0 392.297 2.169 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028170 653705302 /nfs/dbraw/zinc/70/53/02/653705302.db2.gz CEPTVFZYSWLFSJ-HQJQHLMTSA-N 1 0 388.063 2.445 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142521 653707617 /nfs/dbraw/zinc/70/76/17/653707617.db2.gz RHBGYSQZWRYUMH-RDDDGLTNSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149706 653707931 /nfs/dbraw/zinc/70/79/31/653707931.db2.gz LEVULPSMXZTVGR-SMDDNHRTSA-N 1 0 378.274 2.282 20 30 GEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)sc2c1CCCS2 ZINC000841157644 653708404 /nfs/dbraw/zinc/70/84/04/653708404.db2.gz IPQZYBKPUTZZJH-ONGXEEELSA-N 1 0 380.495 2.196 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199691 653710411 /nfs/dbraw/zinc/71/04/11/653710411.db2.gz MWSDSZKFWXFQAN-IINYFYTJSA-N 1 0 379.251 2.471 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000818584750 653734040 /nfs/dbraw/zinc/73/40/40/653734040.db2.gz XBORWMOZLFITMK-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000787287345 653736713 /nfs/dbraw/zinc/73/67/13/653736713.db2.gz DEVVGOLIYPNXCM-UHFFFAOYSA-N 1 0 382.302 2.169 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000841999088 653743414 /nfs/dbraw/zinc/74/34/14/653743414.db2.gz ZWUXCNTYSYJJPP-WBVHZDCISA-N 1 0 380.286 2.191 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881864646 653744480 /nfs/dbraw/zinc/74/44/80/653744480.db2.gz WRMMQLIWZWXBDW-UHFFFAOYSA-N 1 0 380.242 2.319 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1OC ZINC000865814079 653775973 /nfs/dbraw/zinc/77/59/73/653775973.db2.gz PVWLFJFYTMITLB-UHFFFAOYSA-N 1 0 376.906 2.318 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000820611430 653778081 /nfs/dbraw/zinc/77/80/81/653778081.db2.gz KTPZFQUPURRYOS-DLBZAZTESA-N 1 0 394.313 2.269 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000820612233 653778220 /nfs/dbraw/zinc/77/82/20/653778220.db2.gz SNMYIGIVNNBVNK-DLBZAZTESA-N 1 0 394.313 2.269 20 30 GEEDRO CN1CC[C@@H]([NH+]2CCC(Nc3c(Br)cccc3C#N)CC2)C1=O ZINC000865885783 653778437 /nfs/dbraw/zinc/77/84/37/653778437.db2.gz AHYSAGBJPUHJTH-OAHLLOKOSA-N 1 0 377.286 2.428 20 30 GEEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000843099787 653779289 /nfs/dbraw/zinc/77/92/89/653779289.db2.gz GIOXJZZKPMOLHI-STQMWFEESA-N 1 0 376.678 2.206 20 30 GEEDRO N#Cc1ncc(Br)cc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882815089 653811362 /nfs/dbraw/zinc/81/13/62/653811362.db2.gz ZTXWEAMNVFOVBL-UHFFFAOYSA-N 1 0 392.301 2.026 20 30 GEEDRO Cn1cc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c(I)n1 ZINC000895466198 653836390 /nfs/dbraw/zinc/83/63/90/653836390.db2.gz GKGDIQJFXPPTAD-CQSZACIVSA-N 1 0 378.217 2.153 20 30 GEEDRO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438643 653876959 /nfs/dbraw/zinc/87/69/59/653876959.db2.gz GPCDJQMDOICMLX-GJZGRUSLSA-N 1 0 388.295 2.159 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793840418 653886346 /nfs/dbraw/zinc/88/63/46/653886346.db2.gz IETOWUMQHYYJNX-INIZCTEOSA-N 1 0 394.313 2.040 20 30 GEEDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)ccc(Br)c1C#N ZINC000824519278 653899951 /nfs/dbraw/zinc/89/99/51/653899951.db2.gz ZLXZAZDSMMNCJY-NSHDSACASA-N 1 0 393.285 2.168 20 30 GEEDRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000846676035 653906194 /nfs/dbraw/zinc/90/61/94/653906194.db2.gz BIBLWSMDSIGNEO-TZMCWYRMSA-N 1 0 375.885 2.154 20 30 GEEDRO C#CCN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C1CC[NH+](C)CC1 ZINC000886577348 653992471 /nfs/dbraw/zinc/99/24/71/653992471.db2.gz FRGOFQXGLWEEAX-QGZVFWFLSA-N 1 0 377.282 2.309 20 30 GEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662499 653994306 /nfs/dbraw/zinc/99/43/06/653994306.db2.gz FOAHSCOQMAECNQ-VXGBXAGGSA-N 1 0 390.336 2.389 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-c2csc(C)n2)s1 ZINC000849055966 654003392 /nfs/dbraw/zinc/00/33/92/654003392.db2.gz OFWFPMGUDGCGQQ-UHFFFAOYSA-N 1 0 379.555 2.177 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000900657253 654074912 /nfs/dbraw/zinc/07/49/12/654074912.db2.gz UOFROMHHSNWDIN-UHFFFAOYSA-N 1 0 396.329 2.422 20 30 GEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000888417504 654082700 /nfs/dbraw/zinc/08/27/00/654082700.db2.gz HTLMSIDTDDAPKQ-UHFFFAOYSA-N 1 0 382.921 2.348 20 30 GEEDRO C#CC1CC[NH+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000830321327 654110529 /nfs/dbraw/zinc/11/05/29/654110529.db2.gz GQUOBIDUDJFNFV-UHFFFAOYSA-N 1 0 381.307 2.382 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941708 654210473 /nfs/dbraw/zinc/21/04/73/654210473.db2.gz YTCQZWAOCVEMGH-WRWORJQWSA-N 1 0 378.148 2.189 20 30 GEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930237 654212811 /nfs/dbraw/zinc/21/28/11/654212811.db2.gz KBKWPWIRUJFHQC-CHWSQXEVSA-N 1 0 381.274 2.423 20 30 GEEDRO C[C@H](C#N)OCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000801930308 654212840 /nfs/dbraw/zinc/21/28/40/654212840.db2.gz MLAQZLSYRZZTBZ-GFCCVEGCSA-N 1 0 381.274 2.423 20 30 GEEDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903487303 654240618 /nfs/dbraw/zinc/24/06/18/654240618.db2.gz WEMWBJUFKBHDDI-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903538551 654251883 /nfs/dbraw/zinc/25/18/83/654251883.db2.gz WTZFXQDXFXQWBT-UHFFFAOYSA-N 1 0 379.507 2.210 20 30 GEEDRO C[C@]12CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C2(Br)Br ZINC000852901423 654266664 /nfs/dbraw/zinc/26/66/64/654266664.db2.gz HQRTWADUEHDPBC-FOGDFJRCSA-N 1 0 393.123 2.362 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C(F)(F)F ZINC000871813457 654263581 /nfs/dbraw/zinc/26/35/81/654263581.db2.gz IQWHPIJJRUUASB-UHNVWZDZSA-N 1 0 398.275 2.140 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871813586 654263933 /nfs/dbraw/zinc/26/39/33/654263933.db2.gz VCZRPYKSPFRNAL-BXUZGUMPSA-N 1 0 375.416 2.245 20 30 GEEDRO COCCOc1ccc(Br)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852883815 654265805 /nfs/dbraw/zinc/26/58/05/654265805.db2.gz ONEQRYOJHNHKCM-UHFFFAOYSA-N 1 0 381.270 2.416 20 30 GEEDRO C#CCN(C(=O)NCc1ccc(O)c(Br)c1)C1CC[NH+](C)CC1 ZINC000921528993 654278496 /nfs/dbraw/zinc/27/84/96/654278496.db2.gz XCHRWXWDNKLWGZ-UHFFFAOYSA-N 1 0 380.286 2.394 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000803540039 654283291 /nfs/dbraw/zinc/28/32/91/654283291.db2.gz QVGRTYMHBXAVRW-INIZCTEOSA-N 1 0 394.313 2.273 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[NH+]1CCCCC1 ZINC000804961102 654328966 /nfs/dbraw/zinc/32/89/66/654328966.db2.gz IELDXBYNIUGCMV-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494405 654329693 /nfs/dbraw/zinc/32/96/93/654329693.db2.gz MTRBMWCYBHTLSD-CBAPKCEASA-N 1 0 383.296 2.475 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495738 654330177 /nfs/dbraw/zinc/33/01/77/654330177.db2.gz YSOQMGVRNVIISL-HIFRSBDPSA-N 1 0 397.260 2.232 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968905 654349372 /nfs/dbraw/zinc/34/93/72/654349372.db2.gz HGESAORQYJTBLA-GOEBONIOSA-N 1 0 399.310 2.147 20 30 GEEDRO C[C@](O)(C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905352624 654352639 /nfs/dbraw/zinc/35/26/39/654352639.db2.gz YAAYMMNZCYWIDR-UFBFGSQYSA-N 1 0 379.272 2.243 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)ccc1Br ZINC000922024379 654356307 /nfs/dbraw/zinc/35/63/07/654356307.db2.gz QCNQKKGXJMVUDD-UHFFFAOYSA-N 1 0 385.327 2.476 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000905569712 654366770 /nfs/dbraw/zinc/36/67/70/654366770.db2.gz XIUPYRGRVAYXEU-ZFWWWQNUSA-N 1 0 376.400 2.422 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000922135445 654370785 /nfs/dbraw/zinc/37/07/85/654370785.db2.gz RFISOBBUAASEPK-BFYDXBDKSA-N 1 0 378.270 2.237 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663566 654387389 /nfs/dbraw/zinc/38/73/89/654387389.db2.gz KJUOYOPQBMSRQS-HUUCEWRRSA-N 1 0 384.299 2.178 20 30 GEEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907167967 654516871 /nfs/dbraw/zinc/51/68/71/654516871.db2.gz FCZXNKGOUMHDIT-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)s1 ZINC000924978557 654530346 /nfs/dbraw/zinc/53/03/46/654530346.db2.gz WZFUVZCHJWZURB-NWDGAFQWSA-N 1 0 375.947 2.020 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000907796649 654579927 /nfs/dbraw/zinc/57/99/27/654579927.db2.gz NVGWWGUFMGVOLN-HNNXBMFYSA-N 1 0 380.286 2.179 20 30 GEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000907856438 654583789 /nfs/dbraw/zinc/58/37/89/654583789.db2.gz WPLCJTAKJSWYQE-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000928654481 654654629 /nfs/dbraw/zinc/65/46/29/654654629.db2.gz DJRQAHCAMGIUCD-UHFFFAOYSA-N 1 0 380.242 2.493 20 30 GEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000929162413 654674053 /nfs/dbraw/zinc/67/40/53/654674053.db2.gz ZTLWSYIFQNWLKL-AWEZNQCLSA-N 1 0 376.507 2.059 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nc1C ZINC000912213813 654746250 /nfs/dbraw/zinc/74/62/50/654746250.db2.gz GOVSPUFHDVYYJG-HBNTYKKESA-N 1 0 376.511 2.264 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000913002470 654778427 /nfs/dbraw/zinc/77/84/27/654778427.db2.gz LLBPZRYBNHPBQH-GOSISDBHSA-N 1 0 381.314 2.293 20 30 GEEDRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913518255 654797061 /nfs/dbraw/zinc/79/70/61/654797061.db2.gz KFAJEMJPYNZQFI-OAHLLOKOSA-N 1 0 382.551 2.032 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000933356573 654810119 /nfs/dbraw/zinc/81/01/19/654810119.db2.gz YVEHKTBMUBPAQR-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO N#Cc1cc(CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000913905229 654815352 /nfs/dbraw/zinc/81/53/52/654815352.db2.gz IEAQYYAARBIKAM-UHFFFAOYSA-N 1 0 375.519 2.488 20 30 GEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498591 654851389 /nfs/dbraw/zinc/85/13/89/654851389.db2.gz ANVKXYAUOCJTKJ-IRXDYDNUSA-N 1 0 380.286 2.055 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164817201 720166514 /nfs/dbraw/zinc/16/65/14/720166514.db2.gz OWKZNQVIWIHWFR-GCJKJVERSA-N 1 0 384.524 2.182 20 30 GEEDRO C=CCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164817206 720166682 /nfs/dbraw/zinc/16/66/82/720166682.db2.gz OWKZNQVIWIHWFR-XMSQKQJNSA-N 1 0 384.524 2.182 20 30 GEEDRO Cc1cc(C#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164823797 720311586 /nfs/dbraw/zinc/31/15/86/720311586.db2.gz PXBOPPUUZNNYQL-UXHICEINSA-N 1 0 381.524 2.482 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C=NO)c1 ZINC001164831341 720331862 /nfs/dbraw/zinc/33/18/62/720331862.db2.gz RBXVUDQIJVBZCC-RBUKOAKNSA-N 1 0 385.512 2.110 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(Cl)c(C)c3C#N)CC[C@@H]2C1 ZINC001164855610 720835587 /nfs/dbraw/zinc/83/55/87/720835587.db2.gz UJUCMJJSJOFSAV-NVXWUHKLSA-N 1 0 378.904 2.397 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@H]2C1 ZINC001164865108 720872533 /nfs/dbraw/zinc/87/25/33/720872533.db2.gz YKTPXAPCINFHNP-PZJWPPBQSA-N 1 0 393.491 2.189 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889538 721430705 /nfs/dbraw/zinc/43/07/05/721430705.db2.gz BKKSSIXXJPXVLV-PGRDOPGGSA-N 1 0 394.523 2.200 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1C#N)CC2 ZINC001164788551 721450797 /nfs/dbraw/zinc/45/07/97/721450797.db2.gz RFLAKUFXEIDFDO-SFHVURJKSA-N 1 0 385.512 2.082 20 30 GEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907317 721532012 /nfs/dbraw/zinc/53/20/12/721532012.db2.gz MXSBXKRMSXTTCZ-WBVHZDCISA-N 1 0 383.383 2.342 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001164926930 721873109 /nfs/dbraw/zinc/87/31/09/721873109.db2.gz SXMORCVYCZBERW-QZTJIDSGSA-N 1 0 384.528 2.152 20 30 GEEDRO N#Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984766 722106093 /nfs/dbraw/zinc/10/60/93/722106093.db2.gz UXNNFDOZQFBFSH-DOTOQJQBSA-N 1 0 384.871 2.124 20 30 GEEDRO COc1cc(C#N)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978324 722121253 /nfs/dbraw/zinc/12/12/53/722121253.db2.gz OKUIGWYTXAFQLJ-FXAWDEMLSA-N 1 0 379.464 2.084 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161539 531662139 /nfs/dbraw/zinc/66/21/39/531662139.db2.gz XJKVQDVDHHVLLL-ZDUSSCGKSA-N 1 0 392.297 2.238 20 30 GEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157341433 531741124 /nfs/dbraw/zinc/74/11/24/531741124.db2.gz DKTJQQPSGOCTPV-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094123151 531931428 /nfs/dbraw/zinc/93/14/28/531931428.db2.gz NLXQEHYGIPMJBJ-UHFFFAOYSA-N 1 0 378.274 2.262 20 30 GEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3cccc(Br)c3)n2c1 ZINC000123758468 532107567 /nfs/dbraw/zinc/10/75/67/532107567.db2.gz NDFXOPMHFQVTAQ-UHFFFAOYSA-N 1 0 398.264 2.488 20 30 GEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000129291904 532176019 /nfs/dbraw/zinc/17/60/19/532176019.db2.gz KUNKHPOCSSLYQC-MRXNPFEDSA-N 1 0 379.503 2.075 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c(C(C)C)c2Br)c1C#N ZINC000133682374 532240741 /nfs/dbraw/zinc/24/07/41/532240741.db2.gz OXDVETZQFQXTLW-UHFFFAOYSA-N 1 0 394.277 2.295 20 30 GEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640855 532303554 /nfs/dbraw/zinc/30/35/54/532303554.db2.gz ZAADNBOWWFFORI-ZBFHGGJFSA-N 1 0 379.503 2.246 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3C#N)[C@@H]2C1 ZINC000425216986 532374954 /nfs/dbraw/zinc/37/49/54/532374954.db2.gz SXSCKLFPHXSAIZ-GXTWGEPZSA-N 1 0 384.299 2.035 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000278893767 532387496 /nfs/dbraw/zinc/38/74/96/532387496.db2.gz UHRPHOPHWHGJTI-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955952 532393190 /nfs/dbraw/zinc/39/31/90/532393190.db2.gz YTPUIDABLJTDKM-XHDPSFHLSA-N 1 0 393.285 2.058 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000295204014 532417703 /nfs/dbraw/zinc/41/77/03/532417703.db2.gz VSNUULPMYJVKDG-SJORKVTESA-N 1 0 383.514 2.039 20 30 GEEDRO N#Cc1cnn2c1NC[C@H](C[NH2+]Cc1cc(Br)cc3c1OCC3)C2 ZINC000517567272 532420195 /nfs/dbraw/zinc/42/01/95/532420195.db2.gz IETIEEBMKYGJBY-NSHDSACASA-N 1 0 388.269 2.284 20 30 GEEDRO C=CCN1CC[C@H](N(C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388632 532422556 /nfs/dbraw/zinc/42/25/56/532422556.db2.gz VGOXOSJYCGHXFK-HOTGVXAUSA-N 1 0 392.297 2.421 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Br ZINC000592373042 532451650 /nfs/dbraw/zinc/45/16/50/532451650.db2.gz QRJNICFPCDHPJV-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO CC(C)[N@H+](C)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592762892 532460557 /nfs/dbraw/zinc/46/05/57/532460557.db2.gz CZSRLWYYRWYSKE-UHFFFAOYSA-N 1 0 379.302 2.213 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000563035295 532495727 /nfs/dbraw/zinc/49/57/27/532495727.db2.gz TZJRMCIWQKUQMS-CYBMUJFWSA-N 1 0 385.331 2.176 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000595074340 532541925 /nfs/dbraw/zinc/54/19/25/532541925.db2.gz QRRCGCVCCFUWBM-CYBMUJFWSA-N 1 0 393.285 2.248 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283471495 532542229 /nfs/dbraw/zinc/54/22/29/532542229.db2.gz GRDKPHVQEODBOT-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Br ZINC000297146317 532570314 /nfs/dbraw/zinc/57/03/14/532570314.db2.gz UFFGEBDGRDNZNG-CQSZACIVSA-N 1 0 381.274 2.289 20 30 GEEDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595345489 532557267 /nfs/dbraw/zinc/55/72/67/532557267.db2.gz QDMAZJLHYWYQLE-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283573912 532546490 /nfs/dbraw/zinc/54/64/90/532546490.db2.gz QODYOGNWFJSUMT-MFKMUULPSA-N 1 0 382.258 2.263 20 30 GEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N(C)Cc1ccccc1Br ZINC000262427092 532593062 /nfs/dbraw/zinc/59/30/62/532593062.db2.gz RTRIWMDBBNCTKL-UHFFFAOYSA-N 1 0 379.258 2.348 20 30 GEEDRO CN(Cc1ccc(Cl)c(F)c1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262440662 532594872 /nfs/dbraw/zinc/59/48/72/532594872.db2.gz UOWUQYZROUOFNZ-ZDUSSCGKSA-N 1 0 387.908 2.454 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000435448499 532618711 /nfs/dbraw/zinc/61/87/11/532618711.db2.gz WZFVRNXJOWUGDI-UHFFFAOYSA-N 1 0 383.539 2.133 20 30 GEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](Cc2ccsc2)CC1 ZINC000376232101 532602774 /nfs/dbraw/zinc/60/27/74/532602774.db2.gz UNGRIVKKYGQFHL-UHFFFAOYSA-N 1 0 376.507 2.344 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000474172960 532608918 /nfs/dbraw/zinc/60/89/18/532608918.db2.gz HSFQAUPABREOPJ-HNNXBMFYSA-N 1 0 385.917 2.333 20 30 GEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000597701278 532624673 /nfs/dbraw/zinc/62/46/73/532624673.db2.gz SACIVBKWPMFTOH-MLGOLLRUSA-N 1 0 391.313 2.308 20 30 GEEDRO CCC[N@@H+]1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000598342198 532645131 /nfs/dbraw/zinc/64/51/31/532645131.db2.gz KEQUTDZFOGZLCP-INIZCTEOSA-N 1 0 391.313 2.357 20 30 GEEDRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl ZINC000478232691 532656718 /nfs/dbraw/zinc/65/67/18/532656718.db2.gz LLONHZNHVPANSR-UHFFFAOYSA-N 1 0 376.869 2.426 20 30 GEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000569635939 532700254 /nfs/dbraw/zinc/70/02/54/532700254.db2.gz LOLPUQRVLGXZCX-CHWSQXEVSA-N 1 0 386.315 2.399 20 30 GEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000500679360 532732723 /nfs/dbraw/zinc/73/27/23/532732723.db2.gz QSBPSCMWDJAZKS-SMDDNHRTSA-N 1 0 393.285 2.200 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000408435102 532719090 /nfs/dbraw/zinc/71/90/90/532719090.db2.gz LDDYPYGOQOMNSW-LSDHHAIUSA-N 1 0 384.299 2.226 20 30 GEEDRO C[C@@](CO)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000286594649 532757290 /nfs/dbraw/zinc/75/72/90/532757290.db2.gz QUOXXEQALJGACP-SJORKVTESA-N 1 0 380.286 2.055 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000411247011 532751666 /nfs/dbraw/zinc/75/16/66/532751666.db2.gz SSSPUBABTBJLOT-UHFFFAOYSA-N 1 0 398.301 2.410 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302058112 532765567 /nfs/dbraw/zinc/76/55/67/532765567.db2.gz BIRHWFISTVGHCT-INIZCTEOSA-N 1 0 377.286 2.064 20 30 GEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000269683583 532786128 /nfs/dbraw/zinc/78/61/28/532786128.db2.gz TZXDOBBJBIEWRP-UHFFFAOYSA-N 1 0 383.901 2.135 20 30 GEEDRO COc1ccc(CNC(=[NH2+])NCCCn2cc(Br)cn2)cc1OC ZINC000287328676 532791967 /nfs/dbraw/zinc/79/19/67/532791967.db2.gz VYOAMJULDHXITA-UHFFFAOYSA-N 1 0 396.289 2.157 20 30 GEEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000328679599 532794659 /nfs/dbraw/zinc/79/46/59/532794659.db2.gz NBNPFVWIHMJIGG-SWLSCSKDSA-N 1 0 386.949 2.358 20 30 GEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709610 532807453 /nfs/dbraw/zinc/80/74/53/532807453.db2.gz GEZOUHFRWDESSC-SWLSCSKDSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329681707 532810264 /nfs/dbraw/zinc/81/02/64/532810264.db2.gz SAXJVLCWSNJDQA-TWKFVSLJSA-N 1 0 387.615 2.493 20 30 GEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000328752938 532797231 /nfs/dbraw/zinc/79/72/31/532797231.db2.gz DDHIENWMTDIRNZ-OAHLLOKOSA-N 1 0 392.301 2.185 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000330670171 532824956 /nfs/dbraw/zinc/82/49/56/532824956.db2.gz LKOPYURMLQMSMR-GFCCVEGCSA-N 1 0 386.315 2.426 20 30 GEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288369348 532825455 /nfs/dbraw/zinc/82/54/55/532825455.db2.gz KURZOLYXBLMUIW-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288370592 532825774 /nfs/dbraw/zinc/82/57/74/532825774.db2.gz YYDCUKJHTFMECX-RISCZKNCSA-N 1 0 386.315 2.281 20 30 GEEDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cccc(I)c1 ZINC000331327766 532837774 /nfs/dbraw/zinc/83/77/74/532837774.db2.gz NJBFMIIAWVPBNB-CQSZACIVSA-N 1 0 388.249 2.443 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000332085167 532848390 /nfs/dbraw/zinc/84/83/90/532848390.db2.gz QFUMHZREYMZSLR-LSDHHAIUSA-N 1 0 385.942 2.412 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000332096287 532849135 /nfs/dbraw/zinc/84/91/35/532849135.db2.gz XIZGQWJITUDCMC-LSDHHAIUSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415554796 532849925 /nfs/dbraw/zinc/84/99/25/532849925.db2.gz BIJXRCQZJXROQR-NEPJUHHUSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415693874 532854069 /nfs/dbraw/zinc/85/40/69/532854069.db2.gz QLSKNPZMGAYAQY-QGZVFWFLSA-N 1 0 396.285 2.150 20 30 GEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416458428 532878037 /nfs/dbraw/zinc/87/80/37/532878037.db2.gz YYVJTPIHYDKMOM-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726725 532882717 /nfs/dbraw/zinc/88/27/17/532882717.db2.gz HUDVFWHWACKVNZ-CYBMUJFWSA-N 1 0 393.285 2.200 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1 ZINC000366472199 532917747 /nfs/dbraw/zinc/91/77/47/532917747.db2.gz KVQODYJLWXPJPE-CZUORRHYSA-N 1 0 398.326 2.473 20 30 GEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293019944 532921241 /nfs/dbraw/zinc/92/12/41/532921241.db2.gz LGKATFLOXJONQI-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293184105 532923190 /nfs/dbraw/zinc/92/31/90/532923190.db2.gz VHEYRIXSERXXFO-AWEZNQCLSA-N 1 0 395.301 2.352 20 30 GEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293251972 532924233 /nfs/dbraw/zinc/92/42/33/532924233.db2.gz CZOSKVWGKVDWMH-AWEZNQCLSA-N 1 0 393.285 2.250 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000367887690 532928439 /nfs/dbraw/zinc/92/84/39/532928439.db2.gz TWOPQIZXMHKUSQ-KBPBESRZSA-N 1 0 391.269 2.002 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1ncc(Br)cc1Br ZINC000293945179 532933819 /nfs/dbraw/zinc/93/38/19/532933819.db2.gz JNWJRWHNDGHJLY-UHFFFAOYSA-N 1 0 389.091 2.292 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000294215949 532937147 /nfs/dbraw/zinc/93/71/47/532937147.db2.gz WQLRCGCSNGBRLK-OCCSQVGLSA-N 1 0 393.285 2.248 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000821181275 607322577 /nfs/dbraw/zinc/32/25/77/607322577.db2.gz LCKMODRQTXVTFO-CQSZACIVSA-N 1 0 396.451 2.449 20 30 GEEDRO C#CC[N@H+](CC#CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000819697895 599640723 /nfs/dbraw/zinc/64/07/23/599640723.db2.gz NYZADSGOJDQVAQ-UHFFFAOYSA-N 1 0 382.493 2.094 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743293 606602439 /nfs/dbraw/zinc/60/24/39/606602439.db2.gz GMPXNUZNZJWTCB-ROUUACIJSA-N 1 0 383.500 2.437 20 30 GEEDRO N#CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381701 608555815 /nfs/dbraw/zinc/55/58/15/608555815.db2.gz VPUDVPDTSKWIOX-MJGOQNOKSA-N 1 0 378.436 2.241 20 30 GEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000825411870 609257449 /nfs/dbraw/zinc/25/74/49/609257449.db2.gz FVHUZCWRJZLYEE-APWZRJJASA-N 1 0 396.495 2.112 20 30 GEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(C#N)c1Br ZINC000448955156 650026649 /nfs/dbraw/zinc/02/66/49/650026649.db2.gz XCHOEMTYRCIDQE-UHFFFAOYSA-N 1 0 379.302 2.030 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000449793336 650050509 /nfs/dbraw/zinc/05/05/09/650050509.db2.gz BYCFOSRBMKXNTM-UHFFFAOYSA-N 1 0 378.270 2.254 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000449803546 650050914 /nfs/dbraw/zinc/05/09/14/650050914.db2.gz ONWPMWMDSIOSTD-CYBMUJFWSA-N 1 0 378.270 2.396 20 30 GEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449865052 650054337 /nfs/dbraw/zinc/05/43/37/650054337.db2.gz SWKRCYVVUPOHNV-CYBMUJFWSA-N 1 0 378.270 2.395 20 30 GEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000449865595 650054352 /nfs/dbraw/zinc/05/43/52/650054352.db2.gz VSUCKSSYGBANFJ-INIZCTEOSA-N 1 0 378.270 2.252 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108392 650060247 /nfs/dbraw/zinc/06/02/47/650060247.db2.gz VIRCFYQEIWYJCJ-XHDPSFHLSA-N 1 0 378.270 2.298 20 30 GEEDRO N#Cc1cc(F)c(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000451000357 650078924 /nfs/dbraw/zinc/07/89/24/650078924.db2.gz NQEVFZHAVMJXEM-UHFFFAOYSA-N 1 0 390.278 2.224 20 30 GEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451158535 650091467 /nfs/dbraw/zinc/09/14/67/650091467.db2.gz ZQHGLRZMWWVBKY-UHFFFAOYSA-N 1 0 390.278 2.222 20 30 GEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453336119 650208302 /nfs/dbraw/zinc/20/83/02/650208302.db2.gz ARXSTUBPSMVWCZ-PWSUYJOCSA-N 1 0 377.304 2.074 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518192436 650602524 /nfs/dbraw/zinc/60/25/24/650602524.db2.gz JPWAUGLMBFMDEI-MRXNPFEDSA-N 1 0 379.302 2.114 20 30 GEEDRO C=C(Br)CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000105196608 643201478 /nfs/dbraw/zinc/20/14/78/643201478.db2.gz HGMJDACIYOWWQX-UHFFFAOYSA-N 1 0 395.345 2.354 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497899865 650841156 /nfs/dbraw/zinc/84/11/56/650841156.db2.gz QOWDTLFVOVPBFM-LBPRGKRZSA-N 1 0 393.285 2.250 20 30 GEEDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1C#N ZINC000127838490 643787540 /nfs/dbraw/zinc/78/75/40/643787540.db2.gz VSIIXGNTXHEQRN-UHFFFAOYSA-N 1 0 385.898 2.350 20 30 GEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000130782586 643850700 /nfs/dbraw/zinc/85/07/00/643850700.db2.gz RJOSCRPECAXNBV-HNNXBMFYSA-N 1 0 381.523 2.433 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CC[NH+](CCO)CC2)cc1OC ZINC000156506577 644099558 /nfs/dbraw/zinc/09/95/58/644099558.db2.gz LOQUSKWKRYEKSF-UHFFFAOYSA-N 1 0 385.302 2.132 20 30 GEEDRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000499752497 650892304 /nfs/dbraw/zinc/89/23/04/650892304.db2.gz WRCJXTWLPNXIRC-UHFFFAOYSA-N 1 0 391.269 2.027 20 30 GEEDRO C[NH+]=C(NCC1(c2cccc(Cl)c2)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158610368 644151696 /nfs/dbraw/zinc/15/16/96/644151696.db2.gz VVZUIGXBOMKFBE-UHFFFAOYSA-N 1 0 383.945 2.456 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171087149 644307297 /nfs/dbraw/zinc/30/72/97/644307297.db2.gz RPDHVLKDUBHXLW-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000174939483 644384290 /nfs/dbraw/zinc/38/42/90/644384290.db2.gz QMKHHZWZFOBISC-UHFFFAOYSA-N 1 0 386.311 2.376 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546565091 651002247 /nfs/dbraw/zinc/00/22/47/651002247.db2.gz MFXFGOLSYUHKNE-KRWDZBQOSA-N 1 0 385.302 2.179 20 30 GEEDRO C[C@@H]1SCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000245839711 645470207 /nfs/dbraw/zinc/47/02/07/645470207.db2.gz JMQWOQWPOQRGMD-HRCADAONSA-N 1 0 378.567 2.283 20 30 GEEDRO [NH2+]=C(NCc1ccc(I)c(Cl)c1)N1CCOCC1 ZINC000261733111 645596410 /nfs/dbraw/zinc/59/64/10/645596410.db2.gz OOVFMLXUZYUDDE-UHFFFAOYSA-N 1 0 379.629 2.092 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCCO1 ZINC000261725753 645596719 /nfs/dbraw/zinc/59/67/19/645596719.db2.gz GOXAQYNNRJAQKI-CJNGLKHVSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCOC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261907792 645610807 /nfs/dbraw/zinc/61/08/07/645610807.db2.gz XPRMREYGQOQTGY-HIFRSBDPSA-N 1 0 381.318 2.229 20 30 GEEDRO CC[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CCS[C@@H](CC)C1 ZINC000261983659 645614982 /nfs/dbraw/zinc/61/49/82/645614982.db2.gz RRAWBYVCGRRNGO-INIZCTEOSA-N 1 0 384.571 2.351 20 30 GEEDRO CC[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CCS[C@H](CC)C1 ZINC000261983661 645615026 /nfs/dbraw/zinc/61/50/26/645615026.db2.gz RRAWBYVCGRRNGO-MRXNPFEDSA-N 1 0 384.571 2.351 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NCc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000262453526 645631134 /nfs/dbraw/zinc/63/11/34/645631134.db2.gz KLIBXCRIQHZCQG-JTQLQIEISA-N 1 0 380.246 2.035 20 30 GEEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000262488264 645633037 /nfs/dbraw/zinc/63/30/37/645633037.db2.gz UASQEUMNWWINTB-ZIAGYGMSSA-N 1 0 381.318 2.311 20 30 GEEDRO C[NH+]=C(NC[C@H]1COCCO1)NCC1(c2ccccc2Br)CC1 ZINC000262514775 645634886 /nfs/dbraw/zinc/63/48/86/645634886.db2.gz MRCIPPWAPYAZOY-ZDUSSCGKSA-N 1 0 382.302 2.061 20 30 GEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262661806 645641136 /nfs/dbraw/zinc/64/11/36/645641136.db2.gz LYIQNKWHCKJWFG-UHFFFAOYSA-N 1 0 384.571 2.269 20 30 GEEDRO [NH2+]=C(NCCn1cc(Br)cn1)Nc1ccc2c(c1)OCCCO2 ZINC000262687370 645641916 /nfs/dbraw/zinc/64/19/16/645641916.db2.gz YWFVLYHNTADXOL-UHFFFAOYSA-N 1 0 380.246 2.234 20 30 GEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262781729 645645088 /nfs/dbraw/zinc/64/50/88/645645088.db2.gz LEOOIZYDPQERKX-AWEZNQCLSA-N 1 0 381.318 2.108 20 30 GEEDRO C[NH+]=C(NCCn1cccn1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262835672 645646527 /nfs/dbraw/zinc/64/65/27/645646527.db2.gz WFOMOCLXNMNZJU-AWEZNQCLSA-N 1 0 391.317 2.090 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047428 646298996 /nfs/dbraw/zinc/29/89/96/646298996.db2.gz DTTLRLINHLVUGD-SJLPKXTDSA-N 1 0 391.265 2.384 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275487727 646356954 /nfs/dbraw/zinc/35/69/54/646356954.db2.gz ORIGRSZJIAZQOU-LSDHHAIUSA-N 1 0 385.942 2.412 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000278794595 646550258 /nfs/dbraw/zinc/55/02/58/646550258.db2.gz MKNRMIQEKKHUPP-CYBMUJFWSA-N 1 0 398.326 2.427 20 30 GEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294871842 647224360 /nfs/dbraw/zinc/22/43/60/647224360.db2.gz CTAPCMLUMZYXHO-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000297823354 647264760 /nfs/dbraw/zinc/26/47/60/647264760.db2.gz LSNBHLNQZLGNIQ-GOSISDBHSA-N 1 0 381.929 2.470 20 30 GEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1cccc(Br)c1 ZINC000303986767 647278515 /nfs/dbraw/zinc/27/85/15/647278515.db2.gz UWAPTNMVZUAYPK-UHFFFAOYSA-N 1 0 397.361 2.224 20 30 GEEDRO O=C(NCc1ccsc1Br)NCC1CC[NH+](CCO)CC1 ZINC000330457360 647338192 /nfs/dbraw/zinc/33/81/92/647338192.db2.gz YBEVSRCZFHPJLU-UHFFFAOYSA-N 1 0 376.320 2.219 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000330578694 647346356 /nfs/dbraw/zinc/34/63/56/647346356.db2.gz JNOBEMMJEZZOCG-QWHCGFSZSA-N 1 0 393.456 2.243 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000330711360 647347883 /nfs/dbraw/zinc/34/78/83/647347883.db2.gz UUMGZSQFDUMMOX-NEPJUHHUSA-N 1 0 386.290 2.390 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786354 647704405 /nfs/dbraw/zinc/70/44/05/647704405.db2.gz FIUFRWZERBXZCR-SUMWQHHRSA-N 1 0 376.507 2.376 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000369629372 647780594 /nfs/dbraw/zinc/78/05/94/647780594.db2.gz MFNOAZKLMMEVIX-IAQYHMDHSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415422290 648104882 /nfs/dbraw/zinc/10/48/82/648104882.db2.gz DMIYRZJXQLVBQZ-OAHLLOKOSA-N 1 0 393.285 2.283 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409187 648115154 /nfs/dbraw/zinc/11/51/54/648115154.db2.gz UHRMFNWCZXXBTH-FZMZJTMJSA-N 1 0 386.315 2.281 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409190 648115195 /nfs/dbraw/zinc/11/51/95/648115195.db2.gz UHRMFNWCZXXBTH-SMDDNHRTSA-N 1 0 386.315 2.281 20 30 GEEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416410904 648116242 /nfs/dbraw/zinc/11/62/42/648116242.db2.gz YHKYRANFSVVAOZ-FZMZJTMJSA-N 1 0 386.315 2.424 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416466903 648134706 /nfs/dbraw/zinc/13/47/06/648134706.db2.gz SNZNSPPYQZLDMR-CQSZACIVSA-N 1 0 386.315 2.472 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418616328 648305245 /nfs/dbraw/zinc/30/52/45/648305245.db2.gz MNTIXWQUYKMGCD-CQSZACIVSA-N 1 0 376.448 2.282 20 30 GEEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419671398 648361790 /nfs/dbraw/zinc/36/17/90/648361790.db2.gz YMDZMJGOIYTXBY-UHFFFAOYSA-N 1 0 393.285 2.202 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419677005 648362571 /nfs/dbraw/zinc/36/25/71/648362571.db2.gz NBSSPLCUMIGNCL-UHFFFAOYSA-N 1 0 391.269 2.026 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)CC[N@@H+]1C ZINC000419698720 648366481 /nfs/dbraw/zinc/36/64/81/648366481.db2.gz TYJCLAZTFSTRPG-YPMHNXCESA-N 1 0 393.285 2.200 20 30 GEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)CC[N@@H+]1C ZINC000419698719 648366668 /nfs/dbraw/zinc/36/66/68/648366668.db2.gz TYJCLAZTFSTRPG-WCQYABFASA-N 1 0 393.285 2.200 20 30 GEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419740248 648373717 /nfs/dbraw/zinc/37/37/17/648373717.db2.gz BDBJRAQJYOUBJN-NSHDSACASA-N 1 0 381.274 2.104 20 30 GEEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425509153 648682589 /nfs/dbraw/zinc/68/25/89/648682589.db2.gz KIMAUWLRPXGJDF-VBNZEHGJSA-N 1 0 395.297 2.328 20 30 GEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425736107 648691818 /nfs/dbraw/zinc/69/18/18/648691818.db2.gz GMGAVAIGKLDMNF-NSHDSACASA-N 1 0 395.301 2.414 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc(Br)c1C#N ZINC000425740696 648693015 /nfs/dbraw/zinc/69/30/15/648693015.db2.gz ISIXNQMEYDXNKB-IAQYHMDHSA-N 1 0 393.285 2.167 20 30 GEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553879192 651192336 /nfs/dbraw/zinc/19/23/36/651192336.db2.gz UNKVSRNUGRMANK-CYBMUJFWSA-N 1 0 380.286 2.390 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000559639890 651299941 /nfs/dbraw/zinc/29/99/41/651299941.db2.gz QQZQMNMISKVCCP-GFCCVEGCSA-N 1 0 386.315 2.331 20 30 GEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)NCCc2cccs2)CC1 ZINC000727061654 651509952 /nfs/dbraw/zinc/50/99/52/651509952.db2.gz MHXKNFXJNBMRII-UHFFFAOYSA-N 1 0 382.555 2.160 20 30 GEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000730143571 651590937 /nfs/dbraw/zinc/59/09/37/651590937.db2.gz URVRVMWDWAAKKD-CQSZACIVSA-N 1 0 382.917 2.359 20 30 GEEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1I ZINC000609076626 651609929 /nfs/dbraw/zinc/60/99/29/651609929.db2.gz IZVDQDVTHRJIAN-UHFFFAOYSA-N 1 0 383.233 2.317 20 30 GEEDRO CNC(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000569985849 651738278 /nfs/dbraw/zinc/73/82/78/651738278.db2.gz UGGGAKLVUCEKCA-INIZCTEOSA-N 1 0 379.302 2.158 20 30 GEEDRO C[NH+](C)C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000573730177 651976533 /nfs/dbraw/zinc/97/65/33/651976533.db2.gz DUHIPAQGXOOPMN-HNNXBMFYSA-N 1 0 378.885 2.230 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000574034679 651996463 /nfs/dbraw/zinc/99/64/63/651996463.db2.gz GNZLSAQVCHICMT-UHFFFAOYSA-N 1 0 393.245 2.599 20 30 GEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000619465576 652059770 /nfs/dbraw/zinc/05/97/70/652059770.db2.gz DKHKEOSBUIYVBY-SNVBAGLBSA-N 1 0 391.324 2.279 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000747968488 652186325 /nfs/dbraw/zinc/18/63/25/652186325.db2.gz KTOIMMLLJKAUSQ-CQSZACIVSA-N 1 0 385.291 2.195 20 30 GEEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658205532 652243134 /nfs/dbraw/zinc/24/31/34/652243134.db2.gz IBULGTPWMPSNDL-NSHDSACASA-N 1 0 377.304 2.340 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578132156 652246523 /nfs/dbraw/zinc/24/65/23/652246523.db2.gz PSPGBZSEPSQPNO-MNOVXSKESA-N 1 0 384.274 2.194 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COCCN2C)cc1OC ZINC000623711202 652255479 /nfs/dbraw/zinc/25/54/79/652255479.db2.gz XIBNQYZQIBHEPN-CQSZACIVSA-N 1 0 385.302 2.443 20 30 GEEDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000578821654 652296182 /nfs/dbraw/zinc/29/61/82/652296182.db2.gz ZKTDWAKSFYCOGR-UHFFFAOYSA-N 1 0 375.416 2.481 20 30 GEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795029 652371154 /nfs/dbraw/zinc/37/11/54/652371154.db2.gz PZTWPIKXZIIAKK-IBGZPJMESA-N 1 0 393.325 2.459 20 30 GEEDRO C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)CCC[NH2+]1 ZINC000662458506 652462226 /nfs/dbraw/zinc/46/22/26/652462226.db2.gz NSJIWQGKKJCXTN-QGZVFWFLSA-N 1 0 385.555 2.093 20 30 GEEDRO C#CCOCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000755697940 652472749 /nfs/dbraw/zinc/47/27/49/652472749.db2.gz AGXOCBDMAFRLAG-UHFFFAOYSA-N 1 0 380.286 2.179 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590247052 652577367 /nfs/dbraw/zinc/57/73/67/652577367.db2.gz YYLGVYDSGJXALC-CYBMUJFWSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000593395499 652619742 /nfs/dbraw/zinc/61/97/42/652619742.db2.gz XNPOTDVJBVSXNY-KBPBESRZSA-N 1 0 394.313 2.479 20 30 GEEDRO CN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593409885 652620562 /nfs/dbraw/zinc/62/05/62/652620562.db2.gz FLBXXYWWOOUGIV-UHFFFAOYSA-N 1 0 393.329 2.007 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000593733526 652633969 /nfs/dbraw/zinc/63/39/69/652633969.db2.gz WODRYNIKLWUPNG-FVQBIDKESA-N 1 0 383.901 2.261 20 30 GEEDRO COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Br)cc1 ZINC000594430985 652648291 /nfs/dbraw/zinc/64/82/91/652648291.db2.gz FDRPKXARAMRWGL-ZIAGYGMSSA-N 1 0 382.258 2.191 20 30 GEEDRO COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Br)cc1 ZINC000594430983 652648572 /nfs/dbraw/zinc/64/85/72/652648572.db2.gz FDRPKXARAMRWGL-KGLIPLIRSA-N 1 0 382.258 2.191 20 30 GEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000594440784 652650058 /nfs/dbraw/zinc/65/00/58/652650058.db2.gz ZLTKHNPMUDQLJP-HNNXBMFYSA-N 1 0 395.301 2.096 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000599099785 652849161 /nfs/dbraw/zinc/84/91/61/652849161.db2.gz DIEUBKNFCQKJNL-PWSUYJOCSA-N 1 0 381.807 2.359 20 30 GEEDRO C[NH+]1CCC(NC(=S)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000766523118 652884576 /nfs/dbraw/zinc/88/45/76/652884576.db2.gz UCOWLKGFZNJJTH-UHFFFAOYSA-N 1 0 377.945 2.302 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)c2nccn2c1 ZINC000601016602 652949012 /nfs/dbraw/zinc/94/90/12/652949012.db2.gz NQJYCWVUOQVNQQ-UHFFFAOYSA-N 1 0 378.274 2.404 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774221072 653229522 /nfs/dbraw/zinc/22/95/22/653229522.db2.gz WCFCGNBXWVPPES-UHFFFAOYSA-N 1 0 395.301 2.248 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000836275700 653342118 /nfs/dbraw/zinc/34/21/18/653342118.db2.gz NPRWMDOMMVICFW-MRXNPFEDSA-N 1 0 393.329 2.282 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000836490390 653355949 /nfs/dbraw/zinc/35/59/49/653355949.db2.gz YJIQEBGCRXPFCW-UHFFFAOYSA-N 1 0 380.286 2.308 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000836489401 653356081 /nfs/dbraw/zinc/35/60/81/653356081.db2.gz ZQSWFXZZJAJLHT-KRWDZBQOSA-N 1 0 394.313 2.487 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000778175914 653434015 /nfs/dbraw/zinc/43/40/15/653434015.db2.gz FDRZFAPRYTXBAW-UHFFFAOYSA-N 1 0 382.913 2.398 20 30 GEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000778179627 653434124 /nfs/dbraw/zinc/43/41/24/653434124.db2.gz XRJXKZHTNQVMBL-KBXCAEBGSA-N 1 0 383.897 2.178 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)nc1C ZINC000876575253 653436476 /nfs/dbraw/zinc/43/64/76/653436476.db2.gz YRIYDETWXGUOQP-VHSXEESVSA-N 1 0 382.490 2.071 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629187 653438648 /nfs/dbraw/zinc/43/86/48/653438648.db2.gz DBNMSWRSYLENOY-RYUDHWBXSA-N 1 0 375.650 2.249 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629186 653438704 /nfs/dbraw/zinc/43/87/04/653438704.db2.gz DBNMSWRSYLENOY-NWDGAFQWSA-N 1 0 375.650 2.249 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000876636944 653440155 /nfs/dbraw/zinc/44/01/55/653440155.db2.gz NRXSEFMIWQPMPA-VIFPVBQESA-N 1 0 386.779 2.397 20 30 GEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000859328109 653441893 /nfs/dbraw/zinc/44/18/93/653441893.db2.gz KOIZLWRFPSRQGC-DLBZAZTESA-N 1 0 397.313 2.486 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000876785251 653447984 /nfs/dbraw/zinc/44/79/84/653447984.db2.gz RVEJLLFUCDEEHM-DZGCQCFKSA-N 1 0 386.949 2.355 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1scc(Br)c1Br ZINC000876801881 653448719 /nfs/dbraw/zinc/44/87/19/653448719.db2.gz KBOHUTJUCKLEAB-CAHLUQPWSA-N 1 0 379.077 2.114 20 30 GEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(I)cc1Cl ZINC000876801376 653448750 /nfs/dbraw/zinc/44/87/50/653448750.db2.gz BSBUPMRQELXQPZ-PELKAZGASA-N 1 0 389.624 2.094 20 30 GEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1ncc(Br)s1 ZINC000877267186 653474200 /nfs/dbraw/zinc/47/42/00/653474200.db2.gz ZGBGFSNRWNHXMJ-CQSZACIVSA-N 1 0 377.267 2.280 20 30 GEEDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C#N)cnc2Cl)CC1 ZINC000877535910 653611278 /nfs/dbraw/zinc/61/12/78/653611278.db2.gz UIWHMVCOKPVZKB-ZDUSSCGKSA-N 1 0 384.933 2.489 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000838623790 653626453 /nfs/dbraw/zinc/62/64/53/653626453.db2.gz NAXRHKYVDJIEKO-UHFFFAOYSA-N 1 0 397.317 2.256 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+]1CCCCC1 ZINC000780721246 653631611 /nfs/dbraw/zinc/63/16/11/653631611.db2.gz YQGBGNNSYZJZSY-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO C#CCNC(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000815054475 653648629 /nfs/dbraw/zinc/64/86/29/653648629.db2.gz KZZYJKJPVODHEF-HNNXBMFYSA-N 1 0 378.314 2.267 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000815083087 653650665 /nfs/dbraw/zinc/65/06/65/653650665.db2.gz OLKUCCLXKNOMDY-UHFFFAOYSA-N 1 0 377.279 2.130 20 30 GEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000815118734 653652886 /nfs/dbraw/zinc/65/28/86/653652886.db2.gz KJODNWNIIHVMPJ-ZDUSSCGKSA-N 1 0 383.286 2.000 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 ZINC000839812039 653665323 /nfs/dbraw/zinc/66/53/23/653665323.db2.gz KAKKUAYLCKFQLL-UHFFFAOYSA-N 1 0 382.913 2.095 20 30 GEEDRO Cc1cc(Br)cn2c(C=NNC(=S)NCCC[NH+](C)C)cnc12 ZINC000783842413 653685660 /nfs/dbraw/zinc/68/56/60/653685660.db2.gz MEHAUGFKLDUICW-UHFFFAOYSA-N 1 0 397.346 2.155 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000785574679 653712680 /nfs/dbraw/zinc/71/26/80/653712680.db2.gz RMCPEGXOLLATBB-UHFFFAOYSA-N 1 0 394.313 2.314 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)CCOCC1 ZINC000863564548 653715585 /nfs/dbraw/zinc/71/55/85/653715585.db2.gz VKQMGXAOBKQMSS-CVEARBPZSA-N 1 0 383.286 2.143 20 30 GEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000863563218 653715623 /nfs/dbraw/zinc/71/56/23/653715623.db2.gz OURHGVYDIPKQBD-IRXDYDNUSA-N 1 0 391.265 2.384 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)CCOCC1 ZINC000863564550 653715819 /nfs/dbraw/zinc/71/58/19/653715819.db2.gz VKQMGXAOBKQMSS-HOTGVXAUSA-N 1 0 383.286 2.143 20 30 GEEDRO C#CCNC(=O)CC[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000819380747 653750002 /nfs/dbraw/zinc/75/00/02/653750002.db2.gz SCPXLTWKFAFURK-UHFFFAOYSA-N 1 0 376.625 2.174 20 30 GEEDRO C#C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000820611435 653778030 /nfs/dbraw/zinc/77/80/30/653778030.db2.gz KTPZFQUPURRYOS-SJORKVTESA-N 1 0 394.313 2.269 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843096056 653779065 /nfs/dbraw/zinc/77/90/65/653779065.db2.gz QVPKIAGENFWSHG-KSSFIOAISA-N 1 0 391.265 2.384 20 30 GEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460362 653787365 /nfs/dbraw/zinc/78/73/65/653787365.db2.gz OAKLNYWTPMXBFG-DOMZBBRYSA-N 1 0 388.269 2.093 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194055 653802986 /nfs/dbraw/zinc/80/29/86/653802986.db2.gz VTYJDYDHHWYWFH-FZMZJTMJSA-N 1 0 391.294 2.343 20 30 GEEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@H](C)O1 ZINC000883077799 653824908 /nfs/dbraw/zinc/82/49/08/653824908.db2.gz WLBZJIAXIMPWBX-RYUDHWBXSA-N 1 0 396.289 2.337 20 30 GEEDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883089359 653825752 /nfs/dbraw/zinc/82/57/52/653825752.db2.gz HHGVMCUGQGLRCG-UHFFFAOYSA-N 1 0 396.289 2.026 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883479420 653842394 /nfs/dbraw/zinc/84/23/94/653842394.db2.gz YBKFQNNYGIFRLM-UHFFFAOYSA-N 1 0 384.299 2.227 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896209058 653868864 /nfs/dbraw/zinc/86/88/64/653868864.db2.gz SKELALCBZWRJAP-MRXNPFEDSA-N 1 0 393.281 2.297 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896209057 653868994 /nfs/dbraw/zinc/86/89/94/653868994.db2.gz SKELALCBZWRJAP-INIZCTEOSA-N 1 0 393.281 2.297 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)[nH]nc2I)CC1 ZINC000896208291 653869014 /nfs/dbraw/zinc/86/90/14/653869014.db2.gz BSBTXHABMXLDCP-UHFFFAOYSA-N 1 0 388.253 2.093 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCOc3cc(Br)ccc3C1)C2 ZINC000884418388 653876043 /nfs/dbraw/zinc/87/60/43/653876043.db2.gz HVNTUTUBIGTRKY-TXKKKEFDSA-N 1 0 390.281 2.309 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)C2 ZINC000884450615 653877246 /nfs/dbraw/zinc/87/72/46/653877246.db2.gz NYNOJRWJDDZDKO-UCXNHVOCSA-N 1 0 386.293 2.343 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884951915 653897395 /nfs/dbraw/zinc/89/73/95/653897395.db2.gz JKZBEZJBDPYWHZ-UONOGXRCSA-N 1 0 384.299 2.226 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885289714 653923278 /nfs/dbraw/zinc/92/32/78/653923278.db2.gz AIFBFXUQRDCBJN-NSHDSACASA-N 1 0 391.871 2.277 20 30 GEEDRO C[NH+](C)CCCNC(=S)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000795000309 653926433 /nfs/dbraw/zinc/92/64/33/653926433.db2.gz BSSSWCBCGFYYIB-QGZVFWFLSA-N 1 0 379.961 2.348 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1OC ZINC000886319466 653978193 /nfs/dbraw/zinc/97/81/93/653978193.db2.gz FRDURVLNZMRVMO-UHFFFAOYSA-N 1 0 388.917 2.427 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@@H]21 ZINC000827245057 653982898 /nfs/dbraw/zinc/98/28/98/653982898.db2.gz HZDNWDBULGQADE-WFASDCNBSA-N 1 0 378.270 2.252 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000867808742 653990336 /nfs/dbraw/zinc/99/03/36/653990336.db2.gz ONFJUAIISQEQNK-DOMZBBRYSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)c1c(Br)nc2n1CCCC2)C1CC[NH+](C)CC1 ZINC000886574341 653992214 /nfs/dbraw/zinc/99/22/14/653992214.db2.gz ATFPRCFKNQAEFL-UHFFFAOYSA-N 1 0 379.302 2.152 20 30 GEEDRO C#CCN(C(=O)COc1ccc(C=O)cc1Br)C1CC[NH+](C)CC1 ZINC000886581320 653992645 /nfs/dbraw/zinc/99/26/45/653992645.db2.gz SLELHIQTOMHPPA-UHFFFAOYSA-N 1 0 393.281 2.196 20 30 GEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662707 653994299 /nfs/dbraw/zinc/99/42/99/653994299.db2.gz KGVQRULRMWPJJI-HOCLYGCPSA-N 1 0 397.338 2.355 20 30 GEEDRO CC1(C)CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)[NH2+]C1 ZINC000868268208 654026527 /nfs/dbraw/zinc/02/65/27/654026527.db2.gz AFTMMJLMWRYMOV-CYBMUJFWSA-N 1 0 393.285 2.154 20 30 GEEDRO N#C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000900112005 654050668 /nfs/dbraw/zinc/05/06/68/654050668.db2.gz ODMULXPTNQENQD-MRXNPFEDSA-N 1 0 378.270 2.241 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000900643737 654074272 /nfs/dbraw/zinc/07/42/72/654074272.db2.gz DNRVDVQUBZCYOL-KRWDZBQOSA-N 1 0 383.286 2.461 20 30 GEEDRO C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000888416294 654082279 /nfs/dbraw/zinc/08/22/79/654082279.db2.gz ZQRKSELNAKJLFS-NWDGAFQWSA-N 1 0 382.921 2.158 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000799879918 654118415 /nfs/dbraw/zinc/11/84/15/654118415.db2.gz UPNANOHVODPHAD-UHFFFAOYSA-N 1 0 386.547 2.240 20 30 GEEDRO CC[NH+]1CCC(NC(=O)CON=C(N)c2ccc(C(F)(F)F)s2)CC1 ZINC000902628189 654189234 /nfs/dbraw/zinc/18/92/34/654189234.db2.gz WPYOYVFVNQOSIY-UHFFFAOYSA-N 1 0 378.420 2.004 20 30 GEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920762953 654220646 /nfs/dbraw/zinc/22/06/46/654220646.db2.gz ZFKRKFPIKFMOAL-HNNXBMFYSA-N 1 0 380.286 2.468 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000903497368 654242005 /nfs/dbraw/zinc/24/20/05/654242005.db2.gz GZOZMSUVXXDXPB-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000903570256 654257605 /nfs/dbraw/zinc/25/76/05/654257605.db2.gz XYEXJXSRRQHUAG-PSASIEDQSA-N 1 0 380.285 2.355 20 30 GEEDRO [NH3+][C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578136 654260794 /nfs/dbraw/zinc/26/07/94/654260794.db2.gz CEFFYBWOGVGCSC-XRGYYRRGSA-N 1 0 380.285 2.143 20 30 GEEDRO COc1ccc(I)c(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852823626 654261822 /nfs/dbraw/zinc/26/18/22/654261822.db2.gz QWEOBSZKFNJKIB-UHFFFAOYSA-N 1 0 384.217 2.241 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000891094933 654264131 /nfs/dbraw/zinc/26/41/31/654264131.db2.gz YBIFMZQMFPSLSO-UHFFFAOYSA-N 1 0 381.230 2.168 20 30 GEEDRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921528919 654278518 /nfs/dbraw/zinc/27/85/18/654278518.db2.gz VURHQBGTJSXEFG-UHFFFAOYSA-N 1 0 393.329 2.401 20 30 GEEDRO CN(C)C(=O)CC[NH+]1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921717531 654310332 /nfs/dbraw/zinc/31/03/32/654310332.db2.gz SDTZHYPQTRCRQZ-UHFFFAOYSA-N 1 0 393.329 2.353 20 30 GEEDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(C#N)ccc2Br)C1=O ZINC000921814376 654326431 /nfs/dbraw/zinc/32/64/31/654326431.db2.gz TWYREJXPDGIBCD-SUMWQHHRSA-N 1 0 391.269 2.131 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488194 654329462 /nfs/dbraw/zinc/32/94/62/654329462.db2.gz AIVOWNQDIGGSTK-ABAIWWIYSA-N 1 0 390.237 2.462 20 30 GEEDRO CCc1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489673 654329661 /nfs/dbraw/zinc/32/96/61/654329661.db2.gz OODDQFIIMGTVRT-IAQYHMDHSA-N 1 0 388.269 2.039 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489740 654329791 /nfs/dbraw/zinc/32/97/91/654329791.db2.gz OVQWDJUFJULCKG-IYSWYEEDSA-N 1 0 379.077 2.114 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490306 654329829 /nfs/dbraw/zinc/32/98/29/654329829.db2.gz UDFXVDYOZJSUBU-SFYZADRCSA-N 1 0 383.296 2.475 20 30 GEEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834505673 654330954 /nfs/dbraw/zinc/33/09/54/654330954.db2.gz MQOWDSKMCQAIIS-OCCSQVGLSA-N 1 0 378.263 2.388 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C)c1Br ZINC000922024370 654356365 /nfs/dbraw/zinc/35/63/65/654356365.db2.gz PVTGFXPIBPUVIY-UHFFFAOYSA-N 1 0 385.327 2.476 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905554017 654365441 /nfs/dbraw/zinc/36/54/41/654365441.db2.gz CYOLKKXKBOAWOK-UKRRQHHQSA-N 1 0 376.400 2.422 20 30 GEEDRO Cc1cc(C[NH2+]CCn2cnc(C#N)n2)c(C)cc1I ZINC000922124248 654370388 /nfs/dbraw/zinc/37/03/88/654370388.db2.gz WPXQPZWGBSNPIW-UHFFFAOYSA-N 1 0 381.221 2.161 20 30 GEEDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000835298779 654378551 /nfs/dbraw/zinc/37/85/51/654378551.db2.gz WUZMZJQKTOMWLH-ZDUSSCGKSA-N 1 0 397.269 2.352 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H]2C[C@H](c3nnc[nH]3)C[C@H]2O)c1 ZINC000922271289 654380598 /nfs/dbraw/zinc/38/05/98/654380598.db2.gz FFVVFFRPPKPCRY-NJZAAPMLSA-N 1 0 376.258 2.083 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906701203 654462468 /nfs/dbraw/zinc/46/24/68/654462468.db2.gz NVQIZSJHMRNJPH-CQSZACIVSA-N 1 0 396.285 2.067 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000906887847 654483348 /nfs/dbraw/zinc/48/33/48/654483348.db2.gz VYGNFIRIRGECHI-HNNXBMFYSA-N 1 0 376.507 2.205 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907155174 654515960 /nfs/dbraw/zinc/51/59/60/654515960.db2.gz WZCXVLYPVXBAHZ-CYBMUJFWSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)C1CCN(S(C)(=O)=O)CC1 ZINC000924809601 654525646 /nfs/dbraw/zinc/52/56/46/654525646.db2.gz BVTFCAAPQMDRAY-OAHLLOKOSA-N 1 0 381.567 2.441 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000907646297 654563429 /nfs/dbraw/zinc/56/34/29/654563429.db2.gz YEKKPCATQFDVIJ-UHFFFAOYSA-N 1 0 377.436 2.104 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000928659505 654655141 /nfs/dbraw/zinc/65/51/41/654655141.db2.gz OSYSTOGPHXGSRT-MRXNPFEDSA-N 1 0 377.897 2.357 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000909247472 654656686 /nfs/dbraw/zinc/65/66/86/654656686.db2.gz LNWVULYWHOIYCQ-OAHLLOKOSA-N 1 0 399.329 2.233 20 30 GEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000929162417 654674035 /nfs/dbraw/zinc/67/40/35/654674035.db2.gz ZTLWSYIFQNWLKL-CQSZACIVSA-N 1 0 376.507 2.059 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Br ZINC000931380483 654740224 /nfs/dbraw/zinc/74/02/24/654740224.db2.gz PSBDOOFXXNKLPL-HZPDHXFCSA-N 1 0 393.285 2.384 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C23CCC(CC2)[NH2+]3)nc1C ZINC000912214367 654746292 /nfs/dbraw/zinc/74/62/92/654746292.db2.gz KXKXGYVGBGSSLM-UHFFFAOYSA-N 1 0 376.511 2.408 20 30 GEEDRO N#Cc1nc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000932158508 654768392 /nfs/dbraw/zinc/76/83/92/654768392.db2.gz JTSSKGAJDADYLW-GFCCVEGCSA-N 1 0 394.273 2.091 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932554826 654781840 /nfs/dbraw/zinc/78/18/40/654781840.db2.gz ZLVSHPYWYGINTD-LLVKDONJSA-N 1 0 384.221 2.379 20 30 GEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932811249 654791568 /nfs/dbraw/zinc/79/15/68/654791568.db2.gz IFJNYHLMLPNAJQ-KBXCAEBGSA-N 1 0 394.313 2.493 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913516867 654796979 /nfs/dbraw/zinc/79/69/79/654796979.db2.gz JVXHNRXCVXKIMT-MRXNPFEDSA-N 1 0 382.291 2.279 20 30 GEEDRO C#CCC1([NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)CCC1 ZINC000933297193 654806798 /nfs/dbraw/zinc/80/67/98/654806798.db2.gz YZJZFGBEOUGIAM-UHFFFAOYSA-N 1 0 383.535 2.180 20 30 GEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436741 654812934 /nfs/dbraw/zinc/81/29/34/654812934.db2.gz HCBLAVCYCGQPBP-KBXCAEBGSA-N 1 0 396.329 2.340 20 30 GEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914118953 654827844 /nfs/dbraw/zinc/82/78/44/654827844.db2.gz BGOGZVLVJQXVSM-PBHICJAKSA-N 1 0 385.555 2.176 20 30 GEEDRO C[C@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000934493796 654850652 /nfs/dbraw/zinc/85/06/52/654850652.db2.gz FQRMWPYKZOKCPM-DLBZAZTESA-N 1 0 397.313 2.318 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934498876 654851494 /nfs/dbraw/zinc/85/14/94/654851494.db2.gz HGQUXBAURGZGTB-SJORKVTESA-N 1 0 382.302 2.301 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934827637 654861966 /nfs/dbraw/zinc/86/19/66/654861966.db2.gz YEIBJVIKBFPDIB-BXUZGUMPSA-N 1 0 388.249 2.215 20 30 GEEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@@H]2CC ZINC001164699228 719820878 /nfs/dbraw/zinc/82/08/78/719820878.db2.gz GXZSZYKNUOHNPI-XMSQKQJNSA-N 1 0 398.555 2.154 20 30 GEEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(C#N)cn1)CC2 ZINC001164712017 720101438 /nfs/dbraw/zinc/10/14/38/720101438.db2.gz UCNKUPXVPFBMOA-IBGZPJMESA-N 1 0 378.480 2.251 20 30 GEEDRO Cc1cc(C#N)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1C ZINC001164813568 720219049 /nfs/dbraw/zinc/21/90/49/720219049.db2.gz PNYVUXUYEIEWMM-UHFFFAOYSA-N 1 0 380.496 2.377 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001164830325 720333177 /nfs/dbraw/zinc/33/31/77/720333177.db2.gz POBJSGLFBFURCS-RBUKOAKNSA-N 1 0 392.507 2.346 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C#N)cc3C#N)CC[C@@H]21 ZINC001164841295 720524202 /nfs/dbraw/zinc/52/42/02/720524202.db2.gz YAZYLVZSMSQMSE-UFYCRDLUSA-N 1 0 375.480 2.399 20 30 GEEDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C#N ZINC001164742094 720823764 /nfs/dbraw/zinc/82/37/64/720823764.db2.gz PTGXZYMRBBLANU-DFQSSKMNSA-N 1 0 377.496 2.233 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890986 721386146 /nfs/dbraw/zinc/38/61/46/721386146.db2.gz PZBBVCAYJXEVHN-FXAWDEMLSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887693 721403930 /nfs/dbraw/zinc/40/39/30/721403930.db2.gz MJQDKWNNCWWJQL-UYAOXDASSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888752 721428419 /nfs/dbraw/zinc/42/84/19/721428419.db2.gz AQJDRGHEUQKSHT-XMSQKQJNSA-N 1 0 394.523 2.200 20 30 GEEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1CC#N ZINC001164889505 721439005 /nfs/dbraw/zinc/43/90/05/721439005.db2.gz BEPDDTKVIOIEAX-UNMCSNQZSA-N 1 0 383.540 2.222 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164789355 721461475 /nfs/dbraw/zinc/46/14/75/721461475.db2.gz XGXMZGFMMYFCRT-IBGZPJMESA-N 1 0 399.539 2.391 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)nc1C#N)CC2 ZINC001164788695 721464799 /nfs/dbraw/zinc/46/47/99/721464799.db2.gz VQGGANSXLOHPCF-LJQANCHMSA-N 1 0 399.539 2.391 20 30 GEEDRO N#Cc1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164900018 721509721 /nfs/dbraw/zinc/50/97/21/721509721.db2.gz NCHUYEATGINXPZ-NVXWUHKLSA-N 1 0 378.411 2.311 20 30 GEEDRO N#Cc1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164900020 721509749 /nfs/dbraw/zinc/50/97/49/721509749.db2.gz NCHUYEATGINXPZ-WBVHZDCISA-N 1 0 378.411 2.311 20 30 GEEDRO COc1cc(C#N)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164798561 721558229 /nfs/dbraw/zinc/55/82/29/721558229.db2.gz BLCPYPQAWOCBRU-DYXWJJEUSA-N 1 0 379.464 2.225 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909759 721564761 /nfs/dbraw/zinc/56/47/61/721564761.db2.gz UWBCPOVVRNYBFD-DOTOQJQBSA-N 1 0 392.438 2.263 20 30 GEEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001164933499 721887933 /nfs/dbraw/zinc/88/79/33/721887933.db2.gz MKFYRGCEKINRGH-RTBURBONSA-N 1 0 380.452 2.229 20 30 GEEDRO N#Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C#N)c1 ZINC001164964617 722054419 /nfs/dbraw/zinc/05/44/19/722054419.db2.gz WBNWKZNPKDSQDH-UHFFFAOYSA-N 1 0 388.475 2.339 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979061 722120004 /nfs/dbraw/zinc/12/00/04/722120004.db2.gz OUSUYZROBLHGPB-VQTJNVASSA-N 1 0 395.507 2.472 20 30 GEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1[nH]ccc3ncc(C#N)c1-3)CCC2 ZINC001165001886 722255501 /nfs/dbraw/zinc/25/55/01/722255501.db2.gz IFDRXVWUOOIOIN-UHFFFAOYSA-N 1 0 379.468 2.120 20 30 GEEDRO CC[NH+]=C(NCc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000152602174 531561783 /nfs/dbraw/zinc/56/17/83/531561783.db2.gz QUIGBFHUDLLGMZ-AWEZNQCLSA-N 1 0 377.290 2.111 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155238790 531668775 /nfs/dbraw/zinc/66/87/75/531668775.db2.gz AZKICERPUXTRMW-NHYWBVRUSA-N 1 0 386.315 2.281 20 30 GEEDRO Cc1ccc(Br)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122099898 532057088 /nfs/dbraw/zinc/05/70/88/532057088.db2.gz ZIQDDCDMNSPYKA-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175435006 532103991 /nfs/dbraw/zinc/10/39/91/532103991.db2.gz NUGZBVCOOJWQOC-UHFFFAOYSA-N 1 0 396.285 2.309 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000175963902 532121329 /nfs/dbraw/zinc/12/13/29/532121329.db2.gz CCKAIZLCXUNWFL-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000124451891 532122259 /nfs/dbraw/zinc/12/22/59/532122259.db2.gz VQZRAZYZAWEXPM-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(I)c(C)n2)CC1 ZINC000176106870 532126236 /nfs/dbraw/zinc/12/62/36/532126236.db2.gz CRRKEVMDPNRPSE-UHFFFAOYSA-N 1 0 383.233 2.278 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131357920 532196514 /nfs/dbraw/zinc/19/65/14/532196514.db2.gz TVTPEOGATYPIEA-QGZVFWFLSA-N 1 0 387.318 2.425 20 30 GEEDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182866164 532319166 /nfs/dbraw/zinc/31/91/66/532319166.db2.gz YTYMQMMLPNPMRX-HOTGVXAUSA-N 1 0 378.567 2.284 20 30 GEEDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc(Br)c1C#N ZINC000425733061 532391069 /nfs/dbraw/zinc/39/10/69/532391069.db2.gz AEVSRFTXOGAPCD-JQWIXIFHSA-N 1 0 393.285 2.167 20 30 GEEDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)ccc(Br)c1C#N ZINC000425770322 532394355 /nfs/dbraw/zinc/39/43/55/532394355.db2.gz OUONXXMZVHPOGM-UHFFFAOYSA-N 1 0 393.285 2.122 20 30 GEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1C#N ZINC000295135987 532407906 /nfs/dbraw/zinc/40/79/06/532407906.db2.gz DANIYAPIBSQLRD-ZDUSSCGKSA-N 1 0 379.302 2.077 20 30 GEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1cccc(Br)c1C#N)CC[NH2+]CC2 ZINC000591667586 532418615 /nfs/dbraw/zinc/41/86/15/532418615.db2.gz XSOASKDQTCZKMU-LBPRGKRZSA-N 1 0 398.326 2.473 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000518843018 532447422 /nfs/dbraw/zinc/44/74/22/532447422.db2.gz QDFOINXITSDNBN-RHSMWYFYSA-N 1 0 376.507 2.376 20 30 GEEDRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000373818102 532472799 /nfs/dbraw/zinc/47/27/99/532472799.db2.gz DSJJDRJDGCIAEA-OKILXGFUSA-N 1 0 383.539 2.130 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(F)cc2I)CC1 ZINC000221990201 532485844 /nfs/dbraw/zinc/48/58/44/532485844.db2.gz WXEXXGHYHBLCDY-UHFFFAOYSA-N 1 0 387.196 2.148 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000520292867 532488190 /nfs/dbraw/zinc/48/81/90/532488190.db2.gz NTRSZZWEXQBSMM-AWEZNQCLSA-N 1 0 378.885 2.247 20 30 GEEDRO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000593638312 532491632 /nfs/dbraw/zinc/49/16/32/532491632.db2.gz QQJLWVJOISKYMP-CYBMUJFWSA-N 1 0 394.313 2.167 20 30 GEEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595089450 532544029 /nfs/dbraw/zinc/54/40/29/532544029.db2.gz ILTGSEUERZASPD-ZDUSSCGKSA-N 1 0 393.285 2.248 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000595133202 532544769 /nfs/dbraw/zinc/54/47/69/532544769.db2.gz YHXMLFWQIHQHIV-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@@H]1CSCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000249076695 532561061 /nfs/dbraw/zinc/56/10/61/532561061.db2.gz RDFUGHVJYZQUJX-JKSUJKDBSA-N 1 0 378.567 2.142 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283573915 532546105 /nfs/dbraw/zinc/54/61/05/532546105.db2.gz QODYOGNWFJSUMT-ZWNOBZJWSA-N 1 0 382.258 2.263 20 30 GEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000433892519 532584796 /nfs/dbraw/zinc/58/47/96/532584796.db2.gz ZONLQZCGTFDACO-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262420886 532593298 /nfs/dbraw/zinc/59/32/98/532593298.db2.gz QXIKALVRJSOZGK-CVEARBPZSA-N 1 0 381.567 2.111 20 30 GEEDRO C[NH+]=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N1CCC(O)CC1 ZINC000262407159 532593569 /nfs/dbraw/zinc/59/35/69/532593569.db2.gz OSAXCGOCLKQETA-UHFFFAOYSA-N 1 0 380.798 2.165 20 30 GEEDRO [NH2+]=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)NC1CCCCCC1 ZINC000262672920 532596223 /nfs/dbraw/zinc/59/62/23/532596223.db2.gz RWCSCOWRCPGMAZ-AWEZNQCLSA-N 1 0 384.571 2.386 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCOC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262834143 532603371 /nfs/dbraw/zinc/60/33/71/532603371.db2.gz RZGJCQANNZMSOI-LSDHHAIUSA-N 1 0 395.345 2.477 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000376741501 532627056 /nfs/dbraw/zinc/62/70/56/532627056.db2.gz IEMMLGOTLFPHIP-HNNXBMFYSA-N 1 0 380.857 2.069 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263723751 532637900 /nfs/dbraw/zinc/63/79/00/532637900.db2.gz OYHMORPFEZDASS-CYBMUJFWSA-N 1 0 392.297 2.238 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000600724576 532680414 /nfs/dbraw/zinc/68/04/14/532680414.db2.gz BHKXTCXKNAHXJQ-MRXNPFEDSA-N 1 0 394.313 2.430 20 30 GEEDRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000487380896 532696194 /nfs/dbraw/zinc/69/61/94/532696194.db2.gz SVQAUXIYDDMBMS-ZDUSSCGKSA-N 1 0 383.901 2.085 20 30 GEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCSC1 ZINC000267157641 532735020 /nfs/dbraw/zinc/73/50/20/532735020.db2.gz IUMFVGVBIWUJCU-CQSZACIVSA-N 1 0 393.456 2.293 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000286570033 532755397 /nfs/dbraw/zinc/75/53/97/532755397.db2.gz TXWTXYPIANSTGC-UHFFFAOYSA-N 1 0 384.307 2.419 20 30 GEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC1CS(=O)(=O)C1 ZINC000447787869 532758733 /nfs/dbraw/zinc/75/87/33/532758733.db2.gz OTUSVXWTOWMERR-UHFFFAOYSA-N 1 0 384.571 2.019 20 30 GEEDRO CCOc1cc(C[NH2+]CCn2cnc(C#N)n2)cc(Br)c1OC ZINC000512904189 532778676 /nfs/dbraw/zinc/77/86/76/532778676.db2.gz OFUFUCRYRRBDRN-UHFFFAOYSA-N 1 0 380.246 2.109 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000286857663 532772257 /nfs/dbraw/zinc/77/22/57/532772257.db2.gz ZIMSMJNMCWUFLQ-UHFFFAOYSA-N 1 0 394.313 2.174 20 30 GEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287054892 532781161 /nfs/dbraw/zinc/78/11/61/532781161.db2.gz AKRKCLXUEYSQFG-CABCVRRESA-N 1 0 379.258 2.258 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819124 532810228 /nfs/dbraw/zinc/81/02/28/532810228.db2.gz PILXISMQTIJOAG-NHYWBVRUSA-N 1 0 393.285 2.058 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287632548 532804204 /nfs/dbraw/zinc/80/42/04/532804204.db2.gz ZPZXDOFOAZGABH-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000272862252 532818656 /nfs/dbraw/zinc/81/86/56/532818656.db2.gz QOOFHLYNTURKDM-UHFFFAOYSA-N 1 0 390.299 2.301 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288368650 532825834 /nfs/dbraw/zinc/82/58/34/532825834.db2.gz YYDCUKJHTFMECX-BXUZGUMPSA-N 1 0 386.315 2.281 20 30 GEEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331176661 532835168 /nfs/dbraw/zinc/83/51/68/532835168.db2.gz FPKNXSIHHKMGBD-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000288760904 532837772 /nfs/dbraw/zinc/83/77/72/532837772.db2.gz KXETVQRXWAYFJB-GXFFZTMASA-N 1 0 391.269 2.001 20 30 GEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000331467916 532840189 /nfs/dbraw/zinc/84/01/89/532840189.db2.gz HVFWLHJQKBGKBU-JQWIXIFHSA-N 1 0 384.299 2.224 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415358776 532842560 /nfs/dbraw/zinc/84/25/60/532842560.db2.gz KFGACGWMDDNCDK-ZDUSSCGKSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415522359 532848994 /nfs/dbraw/zinc/84/89/94/532848994.db2.gz MPEKVTFICJJSQL-RYUDHWBXSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415554799 532849764 /nfs/dbraw/zinc/84/97/64/532849764.db2.gz BIJXRCQZJXROQR-NWDGAFQWSA-N 1 0 396.285 2.148 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415554805 532849796 /nfs/dbraw/zinc/84/97/96/532849796.db2.gz BIJXRCQZJXROQR-VXGBXAGGSA-N 1 0 396.285 2.148 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274824635 532857362 /nfs/dbraw/zinc/85/73/62/532857362.db2.gz QRIGDVPCZREPTB-HOTGVXAUSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415847963 532860056 /nfs/dbraw/zinc/86/00/56/532860056.db2.gz XIIUSHJCQUPXSD-WCQYABFASA-N 1 0 396.285 2.196 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333574066 532870799 /nfs/dbraw/zinc/87/07/99/532870799.db2.gz SJWCODTUNXUSKM-AWEZNQCLSA-N 1 0 386.297 2.353 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)C[NH+]1CCCC1 ZINC000416370150 532872740 /nfs/dbraw/zinc/87/27/40/532872740.db2.gz KHASENCPOXFTOD-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Br ZINC000333871302 532874356 /nfs/dbraw/zinc/87/43/56/532874356.db2.gz RXSHUAWVZXQLDE-BBRMVZONSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Br ZINC000333871303 532874422 /nfs/dbraw/zinc/87/44/22/532874422.db2.gz RXSHUAWVZXQLDE-CJNGLKHVSA-N 1 0 398.326 2.473 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)nc1C ZINC000364202483 532904207 /nfs/dbraw/zinc/90/42/07/532904207.db2.gz UELVOIPAPABILA-HWPZZCPQSA-N 1 0 376.511 2.123 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000364261983 532905653 /nfs/dbraw/zinc/90/56/53/532905653.db2.gz UWVQMSXDWNYDNA-LSDHHAIUSA-N 1 0 384.299 2.213 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000291828964 532909246 /nfs/dbraw/zinc/90/92/46/532909246.db2.gz FTOJVWTXCBIZOO-HNNXBMFYSA-N 1 0 384.299 2.037 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000365700110 532911807 /nfs/dbraw/zinc/91/18/07/532911807.db2.gz GQVMVKIQFUGWAM-CQDKDKBSSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000365700112 532911817 /nfs/dbraw/zinc/91/18/17/532911817.db2.gz GQVMVKIQFUGWAM-NILFDRSVSA-N 1 0 384.299 2.069 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000292998362 532920914 /nfs/dbraw/zinc/92/09/14/532920914.db2.gz JITKHEHCXBEAJQ-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000293304756 532925076 /nfs/dbraw/zinc/92/50/76/532925076.db2.gz HRNVDTMKDSUPPT-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000293424945 532926461 /nfs/dbraw/zinc/92/64/61/532926461.db2.gz QGRIADYFDBDZPC-UHFFFAOYSA-N 1 0 376.507 2.190 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000293410491 532926632 /nfs/dbraw/zinc/92/66/32/532926632.db2.gz PBOZUBGDQSSAMS-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293594228 532929287 /nfs/dbraw/zinc/92/92/87/532929287.db2.gz FPZWTUBLYQOBQZ-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000293381494 532925972 /nfs/dbraw/zinc/92/59/72/532925972.db2.gz MYJGCJQIOVYZFA-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000293985964 532934143 /nfs/dbraw/zinc/93/41/43/532934143.db2.gz NIXKTTDILJDANT-UHFFFAOYSA-N 1 0 376.507 2.071 20 30 GEEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420127 606309071 /nfs/dbraw/zinc/30/90/71/606309071.db2.gz MMRXAXYMHCEFHD-NHYWBVRUSA-N 1 0 379.449 2.256 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821585999 607114394 /nfs/dbraw/zinc/11/43/94/607114394.db2.gz FKTPUDIHUWSISS-UHFFFAOYSA-N 1 0 382.859 2.355 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000825866125 607975838 /nfs/dbraw/zinc/97/58/38/607975838.db2.gz RNHWNRMIVXWATM-UHFFFAOYSA-N 1 0 389.463 2.137 20 30 GEEDRO C#CCOc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823856293 608501321 /nfs/dbraw/zinc/50/13/21/608501321.db2.gz OMQXMUDLUVRORS-UHFFFAOYSA-N 1 0 388.475 2.197 20 30 GEEDRO N#CCCN(C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000826381407 608531118 /nfs/dbraw/zinc/53/11/18/608531118.db2.gz KMRMHLAYLRXUEW-UHFFFAOYSA-N 1 0 387.447 2.392 20 30 GEEDRO CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)[C@H](C)C1 ZINC000825594210 608536211 /nfs/dbraw/zinc/53/62/11/608536211.db2.gz JEKOTVHINREJPO-GFCCVEGCSA-N 1 0 392.895 2.451 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449926531 650056007 /nfs/dbraw/zinc/05/60/07/650056007.db2.gz CXCBUOPDXAHEAW-BLLLJJGKSA-N 1 0 380.286 2.498 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000450481537 650065794 /nfs/dbraw/zinc/06/57/94/650065794.db2.gz BAZVDTGZCGLXSK-LRDDRELGSA-N 1 0 378.270 2.252 20 30 GEEDRO CN1C2(CCC2)COC[C@@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131524 650685736 /nfs/dbraw/zinc/68/57/36/650685736.db2.gz QNDVYPFSHRTBEE-KRWDZBQOSA-N 1 0 380.286 2.348 20 30 GEEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000535052424 650784171 /nfs/dbraw/zinc/78/41/71/650784171.db2.gz QBISRAFXUBLDOT-NVXWUHKLSA-N 1 0 391.313 2.110 20 30 GEEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC[C@@H]1CCCO1 ZINC000066244532 642902209 /nfs/dbraw/zinc/90/22/09/642902209.db2.gz XDYUCQJQFUDGMK-BBRMVZONSA-N 1 0 381.318 2.359 20 30 GEEDRO C=C(Br)CNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000069117667 643019829 /nfs/dbraw/zinc/01/98/29/643019829.db2.gz HGSIQCAQAZCAAX-UHFFFAOYSA-N 1 0 381.318 2.142 20 30 GEEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104792560 643194220 /nfs/dbraw/zinc/19/42/20/643194220.db2.gz FFBOIMNFZSQMEB-UHFFFAOYSA-N 1 0 382.302 2.351 20 30 GEEDRO C[C@@H]1C[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)S1 ZINC000539368893 650843375 /nfs/dbraw/zinc/84/33/75/650843375.db2.gz WMFBRRHSVQEAMV-BZUAXINKSA-N 1 0 378.567 2.283 20 30 GEEDRO CC(C)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127590788 643780344 /nfs/dbraw/zinc/78/03/44/643780344.db2.gz SHXZQDGKWKOIHY-QGZVFWFLSA-N 1 0 393.329 2.498 20 30 GEEDRO COc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130672135 643847340 /nfs/dbraw/zinc/84/73/40/643847340.db2.gz RFILMTGPZRXIMO-UHFFFAOYSA-N 1 0 388.902 2.115 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCN(C(=O)NCC)C1 ZINC000152779103 643973116 /nfs/dbraw/zinc/97/31/16/643973116.db2.gz ODKFKQGMHFYRAV-HNNXBMFYSA-N 1 0 380.286 2.355 20 30 GEEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000181147349 644526273 /nfs/dbraw/zinc/52/62/73/644526273.db2.gz PVWXGXBNTWHOQW-UHFFFAOYSA-N 1 0 386.315 2.177 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000247096578 645504603 /nfs/dbraw/zinc/50/46/03/645504603.db2.gz PSYNCPFEKICEIC-XJKSGUPXSA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccccc1Cl ZINC000261610984 645590294 /nfs/dbraw/zinc/59/02/94/645590294.db2.gz FPNUKQOPYLDLDS-UHFFFAOYSA-N 1 0 386.949 2.019 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCCO1 ZINC000261725755 645596453 /nfs/dbraw/zinc/59/64/53/645596453.db2.gz GOXAQYNNRJAQKI-CZUORRHYSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261907790 645610985 /nfs/dbraw/zinc/61/09/85/645610985.db2.gz XPRMREYGQOQTGY-DZGCQCFKSA-N 1 0 381.318 2.229 20 30 GEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCCS1 ZINC000262410584 645629670 /nfs/dbraw/zinc/62/96/70/645629670.db2.gz PEQVOZXVMNPHRO-QZWWFDLISA-N 1 0 387.615 2.431 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000262498568 645633699 /nfs/dbraw/zinc/63/36/99/645633699.db2.gz XITBKVGVORSLCQ-KBPBESRZSA-N 1 0 381.318 2.311 20 30 GEEDRO CCc1nc(CNC(=[NH+]C)N2CCS(=O)(=O)C3(CCCCC3)C2)cs1 ZINC000262790116 645645209 /nfs/dbraw/zinc/64/52/09/645645209.db2.gz NTGGOWIPPYNIIL-UHFFFAOYSA-N 1 0 384.571 2.214 20 30 GEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262822706 645646200 /nfs/dbraw/zinc/64/62/00/645646200.db2.gz YREAPUSQZWLPNQ-HNNXBMFYSA-N 1 0 395.345 2.498 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000264499866 645685932 /nfs/dbraw/zinc/68/59/32/645685932.db2.gz QELMZPWSVYVGNF-HNNXBMFYSA-N 1 0 377.432 2.358 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCc1cc(Cl)ccc1OC(F)F ZINC000267317162 645897666 /nfs/dbraw/zinc/89/76/66/645897666.db2.gz NTKJQGGBNWOIIP-UHFFFAOYSA-N 1 0 376.835 2.068 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000271092166 646172605 /nfs/dbraw/zinc/17/26/05/646172605.db2.gz KMHUZCWHXKPYLM-OLZOCXBDSA-N 1 0 393.456 2.243 20 30 GEEDRO COc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(Br)c1 ZINC000285634456 646860128 /nfs/dbraw/zinc/86/01/28/646860128.db2.gz AJAFFULZHOKJNN-NXVVXOECSA-N 1 0 380.242 2.074 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287516853 646889315 /nfs/dbraw/zinc/88/93/15/646889315.db2.gz RQSSIOXZCDELBC-GFCCVEGCSA-N 1 0 393.285 2.250 20 30 GEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000330382252 647333719 /nfs/dbraw/zinc/33/37/19/647333719.db2.gz WZJMWXYNXQWWEW-CVEARBPZSA-N 1 0 384.571 2.447 20 30 GEEDRO COc1ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)c(Br)c1 ZINC000330712054 647347924 /nfs/dbraw/zinc/34/79/24/647347924.db2.gz QNXBZFXZJDUABF-UHFFFAOYSA-N 1 0 386.290 2.392 20 30 GEEDRO CN(C)c1ncc(Br)cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000330832047 647354662 /nfs/dbraw/zinc/35/46/62/647354662.db2.gz HEZSEXLBKSIALU-CYBMUJFWSA-N 1 0 385.306 2.062 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330835988 647355225 /nfs/dbraw/zinc/35/52/25/647355225.db2.gz RHKFUNWZGHNDBP-NSHDSACASA-N 1 0 390.278 2.222 20 30 GEEDRO N#Cc1c(Br)cccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000368177628 647752685 /nfs/dbraw/zinc/75/26/85/647752685.db2.gz QPKDYWFBQWKXMP-INIZCTEOSA-N 1 0 377.286 2.239 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416417157 648120078 /nfs/dbraw/zinc/12/00/78/648120078.db2.gz NDZAPBSDUADVRX-UONOGXRCSA-N 1 0 386.315 2.472 20 30 GEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419624737 648358462 /nfs/dbraw/zinc/35/84/62/648358462.db2.gz AIARQQXIPXQCMH-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)C[NH+]1CCCC1 ZINC000419647963 648359388 /nfs/dbraw/zinc/35/93/88/648359388.db2.gz KPRZGOAMZCHUIS-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419801642 648379576 /nfs/dbraw/zinc/37/95/76/648379576.db2.gz BHNIWUUJPUKAKQ-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000424131002 648614648 /nfs/dbraw/zinc/61/46/48/648614648.db2.gz GAAMINBSQIGJRD-LBPRGKRZSA-N 1 0 376.507 2.268 20 30 GEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550418082 651111123 /nfs/dbraw/zinc/11/11/23/651111123.db2.gz WUJQMEWONOJTLK-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)c2c[nH+]ccc21 ZINC000550827412 651115362 /nfs/dbraw/zinc/11/53/62/651115362.db2.gz OKCFRKVFGZWNSK-UHFFFAOYSA-N 1 0 393.266 2.361 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555820212 651230914 /nfs/dbraw/zinc/23/09/14/651230914.db2.gz LYAAVMPIBMTEBE-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1ccc(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c(Br)c1 ZINC000603244864 651473924 /nfs/dbraw/zinc/47/39/24/651473924.db2.gz WFOMBYLJESKMAG-INIZCTEOSA-N 1 0 376.258 2.387 20 30 GEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000730143854 651591151 /nfs/dbraw/zinc/59/11/51/651591151.db2.gz WXVBILNTEYLJAA-CQSZACIVSA-N 1 0 382.917 2.359 20 30 GEEDRO Brc1ccc(N=NC2CC[NH+](CCN3CCOCC3)CC2)nc1 ZINC000731558558 651628119 /nfs/dbraw/zinc/62/81/19/651628119.db2.gz YKVIJJIOCXHWJF-UHFFFAOYSA-N 1 0 382.306 2.040 20 30 GEEDRO N#CCN1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000614137234 651813516 /nfs/dbraw/zinc/81/35/16/651813516.db2.gz IEGCLLYZAKMUSZ-HNNXBMFYSA-N 1 0 398.326 2.245 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000571937292 651862408 /nfs/dbraw/zinc/86/24/08/651862408.db2.gz QWSOEEPZZPSUSL-WBVHZDCISA-N 1 0 391.313 2.158 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000747816761 652179943 /nfs/dbraw/zinc/17/99/43/652179943.db2.gz VIRJXFJSQZGQMX-OAHLLOKOSA-N 1 0 385.291 2.195 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC1 ZINC000748671561 652211009 /nfs/dbraw/zinc/21/10/09/652211009.db2.gz CRHGXIBXHWFCSZ-CYBMUJFWSA-N 1 0 382.913 2.429 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000580430726 652380747 /nfs/dbraw/zinc/38/07/47/652380747.db2.gz UPNXXGOJXWJIRT-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626894503 652408669 /nfs/dbraw/zinc/40/86/69/652408669.db2.gz ZLTVKQQQZYNWAV-AAEUAGOBSA-N 1 0 396.285 2.209 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000581603203 652418497 /nfs/dbraw/zinc/41/84/97/652418497.db2.gz OLKOJFAIHSOFCW-UHFFFAOYSA-N 1 0 375.519 2.500 20 30 GEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000581663108 652420456 /nfs/dbraw/zinc/42/04/56/652420456.db2.gz SEZJGZYDTAIRQX-MRXNPFEDSA-N 1 0 393.285 2.131 20 30 GEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000582044126 652432980 /nfs/dbraw/zinc/43/29/80/652432980.db2.gz KUIWWSCIBSWUPE-QGZVFWFLSA-N 1 0 391.313 2.107 20 30 GEEDRO C[S@@](=O)Cc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000582541855 652454583 /nfs/dbraw/zinc/45/45/83/652454583.db2.gz OSEIDJJXLFQTIH-XMMPIXPASA-N 1 0 376.503 2.000 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554347 652500642 /nfs/dbraw/zinc/50/06/42/652500642.db2.gz YVLCWEKCDQATHO-NEPJUHHUSA-N 1 0 399.310 2.270 20 30 GEEDRO N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000589278352 652564447 /nfs/dbraw/zinc/56/44/47/652564447.db2.gz AGNJNDPYGFZJOX-CQSZACIVSA-N 1 0 376.507 2.205 20 30 GEEDRO N#Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c(Br)c1 ZINC000592173400 652590155 /nfs/dbraw/zinc/59/01/55/652590155.db2.gz SCZKEORKOVOGDA-CXAGYDPISA-N 1 0 391.269 2.260 20 30 GEEDRO COc1cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc(Br)c1OC ZINC000594436067 652649093 /nfs/dbraw/zinc/64/90/93/652649093.db2.gz HHOBFHOARKMVQB-ZDUSSCGKSA-N 1 0 384.274 2.494 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594437545 652649304 /nfs/dbraw/zinc/64/93/04/652649304.db2.gz MAUCGZMVJRKWBD-CYBMUJFWSA-N 1 0 391.273 2.262 20 30 GEEDRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)[C@H]1CC[N@H+](C)C1 ZINC000595111860 652704835 /nfs/dbraw/zinc/70/48/35/652704835.db2.gz UZPQMUVBMMEBMR-LBPRGKRZSA-N 1 0 393.285 2.120 20 30 GEEDRO C[C@@H](CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+](C)C ZINC000597994560 652795672 /nfs/dbraw/zinc/79/56/72/652795672.db2.gz ZZJNWLULJCBXGU-LBPRGKRZSA-N 1 0 379.302 2.213 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000672354771 652835331 /nfs/dbraw/zinc/83/53/31/652835331.db2.gz SQFZAJZXXMXJNL-UHFFFAOYSA-N 1 0 394.313 2.140 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000599352152 652863680 /nfs/dbraw/zinc/86/36/80/652863680.db2.gz NYOZLLDPFFPZSV-IAGOWNOFSA-N 1 0 397.313 2.486 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000599414562 652869211 /nfs/dbraw/zinc/86/92/11/652869211.db2.gz GEDJSKZHIQJKBH-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cn1 ZINC000600988677 652947894 /nfs/dbraw/zinc/94/78/94/652947894.db2.gz UZIWSYQDCSKIMQ-OAHLLOKOSA-N 1 0 376.258 2.202 20 30 GEEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000601429518 653094709 /nfs/dbraw/zinc/09/47/09/653094709.db2.gz UQVXRUNAYKPHLI-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854377 653209842 /nfs/dbraw/zinc/20/98/42/653209842.db2.gz OJZPTOQPHFJQRL-VBQJREDUSA-N 1 0 391.313 2.473 20 30 GEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858077 653210534 /nfs/dbraw/zinc/21/05/34/653210534.db2.gz YRJCOOZKTAGRPL-LZWOXQAQSA-N 1 0 382.302 2.107 20 30 GEEDRO C[C@](C#N)(NC(=O)CN1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880699 653211466 /nfs/dbraw/zinc/21/14/66/653211466.db2.gz IFRFGJUKLSOWSS-RHSMWYFYSA-N 1 0 393.285 2.106 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]2CC[N@@H+](C)C2)nc1C ZINC000874446424 653319223 /nfs/dbraw/zinc/31/92/23/653319223.db2.gz JVTOICQVTQNTDS-LLVKDONJSA-N 1 0 378.527 2.465 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558423 653435532 /nfs/dbraw/zinc/43/55/32/653435532.db2.gz MLJHBKJRYFGGRL-XJKSGUPXSA-N 1 0 387.933 2.364 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608493 653437599 /nfs/dbraw/zinc/43/75/99/653437599.db2.gz BEDQTDMZUWMXCY-OCCSQVGLSA-N 1 0 380.794 2.373 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000859328110 653441864 /nfs/dbraw/zinc/44/18/64/653441864.db2.gz KOIZLWRFPSRQGC-IAGOWNOFSA-N 1 0 397.313 2.486 20 30 GEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H](O)c1ccccc1Br ZINC000859327458 653441946 /nfs/dbraw/zinc/44/19/46/653441946.db2.gz SDIVKSMSWWOPEG-PBHICJAKSA-N 1 0 397.313 2.486 20 30 GEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000859327460 653441955 /nfs/dbraw/zinc/44/19/55/653441955.db2.gz SDIVKSMSWWOPEG-WMLDXEAASA-N 1 0 397.313 2.486 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000782054940 653654375 /nfs/dbraw/zinc/65/43/75/653654375.db2.gz BEDAKZQVTZDVLN-QGZVFWFLSA-N 1 0 379.298 2.334 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000815861723 653666898 /nfs/dbraw/zinc/66/68/98/653666898.db2.gz WMHTYUNFCPQKLR-UHFFFAOYSA-N 1 0 380.286 2.021 20 30 GEEDRO CN1C(=O)CN(N=C2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106292 653702167 /nfs/dbraw/zinc/70/21/67/653702167.db2.gz UJTCKLGDEHRIQL-CQSZACIVSA-N 1 0 379.258 2.466 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199108 653710230 /nfs/dbraw/zinc/71/02/30/653710230.db2.gz BATFEXHXHMRHEV-YPMHNXCESA-N 1 0 379.251 2.471 20 30 GEEDRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000785515490 653711104 /nfs/dbraw/zinc/71/11/04/653711104.db2.gz ZBNDLCFMJUVJFU-OAHLLOKOSA-N 1 0 388.269 2.339 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841440717 653717385 /nfs/dbraw/zinc/71/73/85/653717385.db2.gz YNZAYJCNRFVCOS-UHFFFAOYSA-N 1 0 377.238 2.240 20 30 GEEDRO C#C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000820611432 653778008 /nfs/dbraw/zinc/77/80/08/653778008.db2.gz KTPZFQUPURRYOS-IAGOWNOFSA-N 1 0 394.313 2.269 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cnc1Br ZINC000820688248 653780501 /nfs/dbraw/zinc/78/05/01/653780501.db2.gz NUYXOFKOPWBKML-UHFFFAOYSA-N 1 0 389.091 2.292 20 30 GEEDRO C=C(C)CN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790759349 653796660 /nfs/dbraw/zinc/79/66/60/653796660.db2.gz QXFCUNCXYPDZLM-CQSZACIVSA-N 1 0 380.539 2.324 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)nc1C ZINC000884067196 653862059 /nfs/dbraw/zinc/86/20/59/653862059.db2.gz XVDOFCLCPFWPIM-JTQLQIEISA-N 1 0 378.527 2.369 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156186 653866297 /nfs/dbraw/zinc/86/62/97/653866297.db2.gz VNRMKQQFZXLORB-CZJPOVKDSA-N 1 0 392.297 2.472 20 30 GEEDRO C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1cccc(Br)c1 ZINC000884155785 653866373 /nfs/dbraw/zinc/86/63/73/653866373.db2.gz KWIHOAVGYHVZIE-VUULHSHRSA-N 1 0 392.297 2.472 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884951914 653897327 /nfs/dbraw/zinc/89/73/27/653897327.db2.gz JKZBEZJBDPYWHZ-KGLIPLIRSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957605 653898081 /nfs/dbraw/zinc/89/80/81/653898081.db2.gz TYBXBHWFAGQRPB-VXGBXAGGSA-N 1 0 384.299 2.226 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867298267 653910998 /nfs/dbraw/zinc/91/09/98/653910998.db2.gz VSSRUCOFRDKWHG-DZGCQCFKSA-N 1 0 381.929 2.469 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867298268 653911033 /nfs/dbraw/zinc/91/10/33/653911033.db2.gz VSSRUCOFRDKWHG-HIFRSBDPSA-N 1 0 381.929 2.469 20 30 GEEDRO N#Cc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000824903360 653912403 /nfs/dbraw/zinc/91/24/03/653912403.db2.gz FKQZHEKZCANPIH-UHFFFAOYSA-N 1 0 376.400 2.260 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)s1 ZINC000848306283 653969495 /nfs/dbraw/zinc/96/94/95/653969495.db2.gz CWBGRSHXOQUVBA-QWHCGFSZSA-N 1 0 387.958 2.116 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376189 653973164 /nfs/dbraw/zinc/97/31/64/653973164.db2.gz MUDOUXKFTXOUFT-KWBADKCTSA-N 1 0 395.301 2.431 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(=O)c1C#N ZINC000898793364 653986215 /nfs/dbraw/zinc/98/62/15/653986215.db2.gz QNQJJTLTAUPGOD-CYBMUJFWSA-N 1 0 381.274 2.042 20 30 GEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848543516 653986712 /nfs/dbraw/zinc/98/67/12/653986712.db2.gz GWJHNGULPPAWRV-SNVBAGLBSA-N 1 0 378.288 2.415 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000867806915 653990110 /nfs/dbraw/zinc/99/01/10/653990110.db2.gz HTMPHNYABNQHHN-TZMCWYRMSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@H]21 ZINC000867808664 653990329 /nfs/dbraw/zinc/99/03/29/653990329.db2.gz NWOPSDBATIRELK-SMDDNHRTSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)c1ccc(I)c(O)c1)C1CC[NH+](C)CC1 ZINC000886578516 653992704 /nfs/dbraw/zinc/99/27/04/653992704.db2.gz AFQVWTYZWIEUPJ-UHFFFAOYSA-N 1 0 398.244 2.166 20 30 GEEDRO C#CCC1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000887122266 654020887 /nfs/dbraw/zinc/02/08/87/654020887.db2.gz QKUUKVMQYIFRJW-HNNXBMFYSA-N 1 0 386.261 2.490 20 30 GEEDRO CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)[NH2+]C1 ZINC000868268217 654026428 /nfs/dbraw/zinc/02/64/28/654026428.db2.gz AJELTJPJDJJUOK-ZDUSSCGKSA-N 1 0 393.285 2.154 20 30 GEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@]2(C)C1 ZINC000887925450 654058707 /nfs/dbraw/zinc/05/87/07/654058707.db2.gz KJFNLKATMLBVKM-PXAZEXFGSA-N 1 0 378.270 2.110 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccccc1C#N ZINC000901729837 654144387 /nfs/dbraw/zinc/14/43/87/654144387.db2.gz USMIGLQWSZOAFV-DGCLKSJQSA-N 1 0 388.269 2.449 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000889742205 654165681 /nfs/dbraw/zinc/16/56/81/654165681.db2.gz PRGCHTSLBXJMBW-UHFFFAOYSA-N 1 0 380.286 2.112 20 30 GEEDRO O=C(N1C[C@@H]2CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]2C1)C(F)(F)F ZINC000831576906 654192213 /nfs/dbraw/zinc/19/22/13/654192213.db2.gz LNGPVLHKKVNHQV-UWVGGRQHSA-N 1 0 380.304 2.246 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000890631905 654234900 /nfs/dbraw/zinc/23/49/00/654234900.db2.gz JEAQCEIVQXACSI-GOSISDBHSA-N 1 0 379.298 2.118 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000903499234 654242108 /nfs/dbraw/zinc/24/21/08/654242108.db2.gz KWYWHLBZHBOTNB-OAHLLOKOSA-N 1 0 384.299 2.085 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1Br ZINC000903516265 654245943 /nfs/dbraw/zinc/24/59/43/654245943.db2.gz YHIJIYIKBQJOBL-XHDPSFHLSA-N 1 0 384.299 2.083 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000903516888 654246365 /nfs/dbraw/zinc/24/63/65/654246365.db2.gz DYMQVVQOCRSAPP-INIZCTEOSA-N 1 0 398.326 2.475 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000903520103 654247837 /nfs/dbraw/zinc/24/78/37/654247837.db2.gz HOQHLULKWNTXQL-HNNXBMFYSA-N 1 0 384.299 2.227 20 30 GEEDRO N#Cc1cccc(C2([NH2+]CCn3cnc(Br)n3)CCOCC2)c1 ZINC000852562340 654248093 /nfs/dbraw/zinc/24/80/93/654248093.db2.gz HAIAOLDYLKETEL-UHFFFAOYSA-N 1 0 376.258 2.208 20 30 GEEDRO N#Cc1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Br ZINC000903555615 654254854 /nfs/dbraw/zinc/25/48/54/654254854.db2.gz UQERGANYXITSJZ-UHFFFAOYSA-N 1 0 384.299 2.131 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903571507 654257883 /nfs/dbraw/zinc/25/78/83/654257883.db2.gz HFGGWJCRHATMNP-PBHICJAKSA-N 1 0 375.475 2.154 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000852862898 654263680 /nfs/dbraw/zinc/26/36/80/654263680.db2.gz MIUOAFPLLZOLPP-MRXNPFEDSA-N 1 0 390.325 2.395 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000852907053 654267654 /nfs/dbraw/zinc/26/76/54/654267654.db2.gz BZAGOBWLYOFZQK-QGZVFWFLSA-N 1 0 377.282 2.352 20 30 GEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903715745 654280977 /nfs/dbraw/zinc/28/09/77/654280977.db2.gz MCUMUMVSDIYTKY-STQMWFEESA-N 1 0 375.416 2.001 20 30 GEEDRO COc1cc(C#N)cc(Br)c1OC(=O)COC1CC[NH+](C)CC1 ZINC000903984961 654294576 /nfs/dbraw/zinc/29/45/76/654294576.db2.gz CKHKOUGPFJLVMK-UHFFFAOYSA-N 1 0 383.242 2.346 20 30 GEEDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921630002 654295601 /nfs/dbraw/zinc/29/56/01/654295601.db2.gz BWYNEBUWODOOSD-UHFFFAOYSA-N 1 0 386.315 2.082 20 30 GEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cc(C#N)ccc1Br ZINC000921649176 654298649 /nfs/dbraw/zinc/29/86/49/654298649.db2.gz CWWYCUYKKUNWBK-KRWDZBQOSA-N 1 0 393.329 2.353 20 30 GEEDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(C#N)ccc2Br)C1=O ZINC000921814374 654326404 /nfs/dbraw/zinc/32/64/04/654326404.db2.gz TWYREJXPDGIBCD-DYVFJYSZSA-N 1 0 391.269 2.131 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479445 654328872 /nfs/dbraw/zinc/32/88/72/654328872.db2.gz DNJVHPXEKDAZGB-JOYOIKCWSA-N 1 0 379.283 2.219 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488207 654329349 /nfs/dbraw/zinc/32/93/49/654329349.db2.gz AIVOWNQDIGGSTK-NHYWBVRUSA-N 1 0 390.237 2.462 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000922022202 654355961 /nfs/dbraw/zinc/35/59/61/654355961.db2.gz JPVNZEMEUFMAHY-UHFFFAOYSA-N 1 0 386.901 2.075 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000855106030 654396595 /nfs/dbraw/zinc/39/65/95/654396595.db2.gz IDPZTGCSXYRHBJ-GOSISDBHSA-N 1 0 379.298 2.118 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906774243 654471006 /nfs/dbraw/zinc/47/10/06/654471006.db2.gz XNUWJARJUOGQMC-UHFFFAOYSA-N 1 0 375.270 2.314 20 30 GEEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907167968 654516998 /nfs/dbraw/zinc/51/69/98/654516998.db2.gz FCZXNKGOUMHDIT-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907327534 654532341 /nfs/dbraw/zinc/53/23/41/654532341.db2.gz GFTLAWJHMZCHAS-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000927865336 654618442 /nfs/dbraw/zinc/61/84/42/654618442.db2.gz QLRAJXHUBVHHBX-UHFFFAOYSA-N 1 0 398.301 2.409 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OC)c(I)c2)CC1 ZINC000928655252 654654696 /nfs/dbraw/zinc/65/46/96/654654696.db2.gz SPLZSBBRZLXXHR-UHFFFAOYSA-N 1 0 398.244 2.127 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000928656618 654654720 /nfs/dbraw/zinc/65/47/20/654654720.db2.gz CCXHPSAARWSVRA-UHFFFAOYSA-N 1 0 387.281 2.462 20 30 GEEDRO O=C1NCCN1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940996 654794978 /nfs/dbraw/zinc/79/49/78/654794978.db2.gz SSJIQRNFPXHDSE-HTQZYQBOSA-N 1 0 381.267 2.114 20 30 GEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438353 654813344 /nfs/dbraw/zinc/81/33/44/654813344.db2.gz VQUXNZJAZYRYQI-ZWKOTPCHSA-N 1 0 396.329 2.387 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000914259490 654839565 /nfs/dbraw/zinc/83/95/65/654839565.db2.gz UOMQITNAGGXDMP-UHFFFAOYSA-N 1 0 380.286 2.355 20 30 GEEDRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000934493798 654850723 /nfs/dbraw/zinc/85/07/23/654850723.db2.gz FQRMWPYKZOKCPM-IRXDYDNUSA-N 1 0 397.313 2.318 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(Cl)cc1C#N)CC2 ZINC001164684357 719720373 /nfs/dbraw/zinc/72/03/73/719720373.db2.gz GPJQERNDXTUACW-UHFFFAOYSA-N 1 0 382.295 2.441 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001164830326 720333047 /nfs/dbraw/zinc/33/30/47/720333047.db2.gz POBJSGLFBFURCS-RTBURBONSA-N 1 0 392.507 2.346 20 30 GEEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)CCC1 ZINC001164736717 720695497 /nfs/dbraw/zinc/69/54/97/720695497.db2.gz APPFHXOUZHHNPO-ZWKOTPCHSA-N 1 0 376.464 2.159 20 30 GEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742694 720816215 /nfs/dbraw/zinc/81/62/15/720816215.db2.gz QPWYLAFRIIBZDU-BHIYHBOVSA-N 1 0 381.459 2.063 20 30 GEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@@H]2C1 ZINC001164864328 720886106 /nfs/dbraw/zinc/88/61/06/720886106.db2.gz VKPLCKHMRKAVQR-MLGOLLRUSA-N 1 0 385.295 2.434 20 30 GEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)c(C#N)nc1Cl)[C@@H]2C ZINC001164860419 720961917 /nfs/dbraw/zinc/96/19/17/720961917.db2.gz PSQUUWLYGJOCJI-GFCCVEGCSA-N 1 0 384.875 2.491 20 30 GEEDRO N#Cc1nc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N ZINC001164903846 721533727 /nfs/dbraw/zinc/53/37/27/721533727.db2.gz DGWYYRBOWSPNJI-HIFRSBDPSA-N 1 0 398.829 2.354 20 30 GEEDRO COC(=O)c1cc(C#N)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909224 721563721 /nfs/dbraw/zinc/56/37/21/721563721.db2.gz TUWHTAIBYFEVHQ-FUHWJXTLSA-N 1 0 396.422 2.221 20 30 GEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001164926934 721873207 /nfs/dbraw/zinc/87/32/07/721873207.db2.gz SXMORCVYCZBERW-ZWKOTPCHSA-N 1 0 384.528 2.152 20 30 GEEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001164933498 721887747 /nfs/dbraw/zinc/88/77/47/721887747.db2.gz MKFYRGCEKINRGH-RBUKOAKNSA-N 1 0 380.452 2.229 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155272348 531670445 /nfs/dbraw/zinc/67/04/45/531670445.db2.gz GSGBOKCKVWDLCP-UONOGXRCSA-N 1 0 386.315 2.472 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121076432 532011084 /nfs/dbraw/zinc/01/10/84/532011084.db2.gz RQUBQZWQZDHKLJ-UHFFFAOYSA-N 1 0 380.286 2.463 20 30 GEEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1Br ZINC000122158147 532059707 /nfs/dbraw/zinc/05/97/07/532059707.db2.gz ADBQUKKKHLSHBF-UHFFFAOYSA-N 1 0 395.301 2.390 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000294776059 532382055 /nfs/dbraw/zinc/38/20/55/532382055.db2.gz AGWRRSWVNZJIPM-ZDUSSCGKSA-N 1 0 378.270 2.115 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1OC ZINC000623356818 532387670 /nfs/dbraw/zinc/38/76/70/532387670.db2.gz JFRSEJBVSJHOJM-UHFFFAOYSA-N 1 0 376.906 2.285 20 30 GEEDRO C=CCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000648286540 532392368 /nfs/dbraw/zinc/39/23/68/532392368.db2.gz QLXHLKWWNIZQOL-UHFFFAOYSA-N 1 0 392.301 2.431 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955943 532392815 /nfs/dbraw/zinc/39/28/15/532392815.db2.gz YTPUIDABLJTDKM-ABAIWWIYSA-N 1 0 393.285 2.058 20 30 GEEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000517230556 532409297 /nfs/dbraw/zinc/40/92/97/532409297.db2.gz GLLQCHIJDBHYGK-COXVUDFISA-N 1 0 384.318 2.321 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)nc1 ZINC000561785244 532451697 /nfs/dbraw/zinc/45/16/97/532451697.db2.gz PEEUDDGZBVVFFO-INIZCTEOSA-N 1 0 379.869 2.094 20 30 GEEDRO C[NH+](C)[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 ZINC000592751405 532458553 /nfs/dbraw/zinc/45/85/53/532458553.db2.gz UDHQXCLFNXZZBU-KRWDZBQOSA-N 1 0 391.313 2.213 20 30 GEEDRO CC[NH+](CC)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592743577 532459751 /nfs/dbraw/zinc/45/97/51/532459751.db2.gz FIZXKIYAJNMSRO-UHFFFAOYSA-N 1 0 379.302 2.215 20 30 GEEDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630324 532464691 /nfs/dbraw/zinc/46/46/91/532464691.db2.gz FWJLBMMIVJUNOR-JTQLQIEISA-N 1 0 390.278 2.032 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562840921 532486868 /nfs/dbraw/zinc/48/68/68/532486868.db2.gz IZWBCRULAREICT-WBVHZDCISA-N 1 0 383.901 2.119 20 30 GEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593635430 532491682 /nfs/dbraw/zinc/49/16/82/532491682.db2.gz LISZWDVXMJMUAW-CYBMUJFWSA-N 1 0 394.313 2.167 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563129207 532497224 /nfs/dbraw/zinc/49/72/24/532497224.db2.gz FBALLNOPTLVJCG-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO COCCC[N@H+](C)CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594760132 532523023 /nfs/dbraw/zinc/52/30/23/532523023.db2.gz SJUWKOUPPOWYJN-UHFFFAOYSA-N 1 0 381.523 2.328 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000432879347 532546657 /nfs/dbraw/zinc/54/66/57/532546657.db2.gz OTBLLKAFPCCULO-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283596029 532547222 /nfs/dbraw/zinc/54/72/22/532547222.db2.gz QFLDTMQUDHZTPD-UHFFFAOYSA-N 1 0 394.313 2.222 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262420891 532592919 /nfs/dbraw/zinc/59/29/19/532592919.db2.gz QXIKALVRJSOZGK-HZPDHXFCSA-N 1 0 381.567 2.111 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N1CC[C@@H](COC)C1 ZINC000262464347 532595157 /nfs/dbraw/zinc/59/51/57/532595157.db2.gz NFTAKWKFHNOQLE-LLVKDONJSA-N 1 0 384.274 2.222 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000474157729 532607979 /nfs/dbraw/zinc/60/79/79/532607979.db2.gz CCAHPGSWTYNBQT-MRXNPFEDSA-N 1 0 385.917 2.333 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000474154988 532608050 /nfs/dbraw/zinc/60/80/50/532608050.db2.gz BHMJOEUHEPNCMT-OAHLLOKOSA-N 1 0 385.917 2.333 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697724 532624245 /nfs/dbraw/zinc/62/42/45/532624245.db2.gz ZKWWVRCWISADPT-SJORKVTESA-N 1 0 392.297 2.185 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCCn1cc(Br)cn1 ZINC000600735160 532679348 /nfs/dbraw/zinc/67/93/48/532679348.db2.gz KEKGVDCBDYWVIE-MRXNPFEDSA-N 1 0 393.285 2.327 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000286399814 532744029 /nfs/dbraw/zinc/74/40/29/532744029.db2.gz DSOZRRKIOVTZNK-UHFFFAOYSA-N 1 0 394.313 2.174 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000286394383 532744115 /nfs/dbraw/zinc/74/41/15/532744115.db2.gz DLAVDYHEQSPNFI-UHFFFAOYSA-N 1 0 394.313 2.174 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584231846 532767326 /nfs/dbraw/zinc/76/73/26/532767326.db2.gz TYZXXNCFKQSZLX-CHWSQXEVSA-N 1 0 398.326 2.331 20 30 GEEDRO COc1ccc([C@H](C)NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1Br ZINC000329703401 532810126 /nfs/dbraw/zinc/81/01/26/532810126.db2.gz IIADBGGXKGDOEU-HZUKXOBISA-N 1 0 398.301 2.448 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819121 532810576 /nfs/dbraw/zinc/81/05/76/532810576.db2.gz PILXISMQTIJOAG-ABAIWWIYSA-N 1 0 393.285 2.058 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819123 532810586 /nfs/dbraw/zinc/81/05/86/532810586.db2.gz PILXISMQTIJOAG-IAQYHMDHSA-N 1 0 393.285 2.058 20 30 GEEDRO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc(Br)c1OC ZINC000330484516 532819275 /nfs/dbraw/zinc/81/92/75/532819275.db2.gz XXRIUTTUQJGCEN-LBPRGKRZSA-N 1 0 386.290 2.017 20 30 GEEDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000330670172 532824814 /nfs/dbraw/zinc/82/48/14/532824814.db2.gz LKOPYURMLQMSMR-LBPRGKRZSA-N 1 0 386.315 2.426 20 30 GEEDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000330675045 532825162 /nfs/dbraw/zinc/82/51/62/532825162.db2.gz RLRVCVGEQVRESQ-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C[C@@H](CCC[NH3+])NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414910588 532835966 /nfs/dbraw/zinc/83/59/66/532835966.db2.gz HMOYCDYCCDWLJN-NSHDSACASA-N 1 0 376.511 2.951 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1Br ZINC000415312801 532841304 /nfs/dbraw/zinc/84/13/04/532841304.db2.gz GZESDMSDMHMUSE-UHFFFAOYSA-N 1 0 393.285 2.427 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415651967 532852110 /nfs/dbraw/zinc/85/21/10/532852110.db2.gz HAHSSRKLXGKXRA-DGCLKSJQSA-N 1 0 396.285 2.067 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415718857 532854515 /nfs/dbraw/zinc/85/45/15/532854515.db2.gz BGLILNSVSCVQIL-HAQNSBGRSA-N 1 0 393.285 2.141 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000289565318 532859216 /nfs/dbraw/zinc/85/92/16/532859216.db2.gz OADNSHBGQYODPE-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000289864345 532866308 /nfs/dbraw/zinc/86/63/08/532866308.db2.gz NIHRBQGGJMGTQP-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292909333 532919590 /nfs/dbraw/zinc/91/95/90/532919590.db2.gz WTECFZIBPPHHQT-MRXNPFEDSA-N 1 0 398.326 2.427 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000367682832 532926575 /nfs/dbraw/zinc/92/65/75/532926575.db2.gz BXUVECXEKRRJHL-GOEBONIOSA-N 1 0 379.844 2.466 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000370585990 532944305 /nfs/dbraw/zinc/94/43/05/532944305.db2.gz ZIYMQMNKNGGXTL-OAHLLOKOSA-N 1 0 384.571 2.276 20 30 GEEDRO CC(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOCC2)c1 ZINC000819773571 607252941 /nfs/dbraw/zinc/25/29/41/607252941.db2.gz VIOZCURCAHKLGY-UHFFFAOYSA-N 1 0 377.452 2.217 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821584391 606182016 /nfs/dbraw/zinc/18/20/16/606182016.db2.gz BIWWVDLEGMBTFP-UHFFFAOYSA-N 1 0 387.492 2.122 20 30 GEEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420128 606309227 /nfs/dbraw/zinc/30/92/27/606309227.db2.gz MMRXAXYMHCEFHD-XHDPSFHLSA-N 1 0 379.449 2.256 20 30 GEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COCc1ccccc1 ZINC000819745904 606635885 /nfs/dbraw/zinc/63/58/85/606635885.db2.gz UIUBSEGQYJXEHQ-FQEVSTJZSA-N 1 0 379.464 2.432 20 30 GEEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826176706 608355561 /nfs/dbraw/zinc/35/55/61/608355561.db2.gz AAJXRFKORADLGK-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448973857 650027869 /nfs/dbraw/zinc/02/78/69/650027869.db2.gz GMDBKAFWNAAADI-CYBMUJFWSA-N 1 0 379.302 2.077 20 30 GEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448973858 650027896 /nfs/dbraw/zinc/02/78/96/650027896.db2.gz GMDBKAFWNAAADI-ZDUSSCGKSA-N 1 0 379.302 2.077 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000449650981 650044571 /nfs/dbraw/zinc/04/45/71/650044571.db2.gz MPJSGCJHOMVZJG-HOTGVXAUSA-N 1 0 378.270 2.443 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449926534 650056018 /nfs/dbraw/zinc/05/60/18/650056018.db2.gz CXCBUOPDXAHEAW-MLGOLLRUSA-N 1 0 380.286 2.498 20 30 GEEDRO C[NH+](C)[C@@]1(CNC(=O)COc2cccc(Br)c2C#N)CCSC1 ZINC000450041390 650059008 /nfs/dbraw/zinc/05/90/08/650059008.db2.gz JQDOLTSLNBQXTG-MRXNPFEDSA-N 1 0 398.326 2.253 20 30 GEEDRO CS[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1[NH+](C)C ZINC000450266725 650063355 /nfs/dbraw/zinc/06/33/55/650063355.db2.gz STRBNXXGBMMATM-HIFRSBDPSA-N 1 0 398.326 2.204 20 30 GEEDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000451191312 650094899 /nfs/dbraw/zinc/09/48/99/650094899.db2.gz ZFJCYXDABIQECU-LBPRGKRZSA-N 1 0 380.286 2.238 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000452101920 650173715 /nfs/dbraw/zinc/17/37/15/650173715.db2.gz HKSVIVQDRPAFPL-GFCCVEGCSA-N 1 0 386.315 2.424 20 30 GEEDRO CN1C2(CCC2)COC[C@@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132790 650685762 /nfs/dbraw/zinc/68/57/62/650685762.db2.gz NXQQVAWVKCGMDR-KRWDZBQOSA-N 1 0 380.286 2.348 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccccc1Br ZINC000121496559 643633650 /nfs/dbraw/zinc/63/36/50/643633650.db2.gz NABJNKXZGJBJKK-OAHLLOKOSA-N 1 0 378.274 2.224 20 30 GEEDRO [NH2+]=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)N1CCSCC1 ZINC000128893309 643812404 /nfs/dbraw/zinc/81/24/04/643812404.db2.gz REWKAOBNCGZRDR-ZDUSSCGKSA-N 1 0 377.432 2.100 20 30 GEEDRO C[C@H](NC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000133854772 643898207 /nfs/dbraw/zinc/89/82/07/643898207.db2.gz IVHIEUKVEDKIBX-WDEREUQCSA-N 1 0 393.340 2.240 20 30 GEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000159031065 644173207 /nfs/dbraw/zinc/17/32/07/644173207.db2.gz CAGCMNDIGORNIT-CYBMUJFWSA-N 1 0 379.507 2.416 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246131949 645477465 /nfs/dbraw/zinc/47/74/65/645477465.db2.gz AZKICERPUXTRMW-XHDPSFHLSA-N 1 0 386.315 2.281 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N(C)C[C@H]1CCOC1 ZINC000261619297 645591043 /nfs/dbraw/zinc/59/10/43/645591043.db2.gz HMLSOMZNEROWPV-LLVKDONJSA-N 1 0 384.274 2.222 20 30 GEEDRO C[NH+]=C(NCc1ccnc(OC)c1)N(C)Cc1cc(Br)cn1C ZINC000261754333 645597550 /nfs/dbraw/zinc/59/75/50/645597550.db2.gz MGRWXUPOVJJUKS-UHFFFAOYSA-N 1 0 380.290 2.399 20 30 GEEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN2Cc2ccc(I)cc2)N1 ZINC000261858116 645605863 /nfs/dbraw/zinc/60/58/63/645605863.db2.gz AATBCJSTRIULHH-WFASDCNBSA-N 1 0 398.292 2.193 20 30 GEEDRO CC[NH+]=C(NCc1cnc(C)s1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261861363 645606404 /nfs/dbraw/zinc/60/64/04/645606404.db2.gz ZJBRZDUZGCYWSW-UHFFFAOYSA-N 1 0 379.559 2.153 20 30 GEEDRO [NH2+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCSCC1 ZINC000262305979 645625426 /nfs/dbraw/zinc/62/54/26/645625426.db2.gz OLKFDBPWDYBDBY-UHFFFAOYSA-N 1 0 378.811 2.265 20 30 GEEDRO CC(C)[C@@H]1CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262326574 645627177 /nfs/dbraw/zinc/62/71/77/645627177.db2.gz ADAXKKPXFIAETA-RDJZCZTQSA-N 1 0 387.615 2.383 20 30 GEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1 ZINC000262335901 645628229 /nfs/dbraw/zinc/62/82/29/645628229.db2.gz BURHBHSYWNKSGZ-HOTGVXAUSA-N 1 0 375.604 2.096 20 30 GEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1 ZINC000262335905 645628335 /nfs/dbraw/zinc/62/83/35/645628335.db2.gz BURHBHSYWNKSGZ-JKSUJKDBSA-N 1 0 375.604 2.096 20 30 GEEDRO CCn1c(CNC(=[NH2+])NC[C@@H]2CCCO2)nc2cc(Br)ccc21 ZINC000262441726 645630315 /nfs/dbraw/zinc/63/03/15/645630315.db2.gz SZDVEIUTPCWTDD-LBPRGKRZSA-N 1 0 380.290 2.402 20 30 GEEDRO C[NH+]=C(NCCn1ccnc1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262816176 645646253 /nfs/dbraw/zinc/64/62/53/645646253.db2.gz RWQKGGQPTRQAPY-CQSZACIVSA-N 1 0 391.317 2.090 20 30 GEEDRO [NH2+]=C(NC[C@@H]1CCCN1Cc1ccc(I)cc1)N1CCC1 ZINC000263181433 645656445 /nfs/dbraw/zinc/65/64/45/645656445.db2.gz UGYSTFYUYKMFOO-HNNXBMFYSA-N 1 0 398.292 2.276 20 30 GEEDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000277725630 646467051 /nfs/dbraw/zinc/46/70/51/646467051.db2.gz JOENNIIVINMMTF-OAHLLOKOSA-N 1 0 383.901 2.439 20 30 GEEDRO [NH2+]=C(NCCCOc1ccc(Cl)cc1Cl)NCCCN1CCOCC1 ZINC000303906230 647278480 /nfs/dbraw/zinc/27/84/80/647278480.db2.gz ZUQDQPQRDPMTHB-UHFFFAOYSA-N 1 0 389.327 2.389 20 30 GEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000330382254 647333592 /nfs/dbraw/zinc/33/35/92/647333592.db2.gz WZJMWXYNXQWWEW-HZPDHXFCSA-N 1 0 384.571 2.447 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331215155 647372044 /nfs/dbraw/zinc/37/20/44/647372044.db2.gz CLGXIVRAYZIJCU-CYBMUJFWSA-N 1 0 386.315 2.472 20 30 GEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C#N)c1Br ZINC000331309122 647379351 /nfs/dbraw/zinc/37/93/51/647379351.db2.gz GYFIVAGBUIRYSZ-LBPRGKRZSA-N 1 0 380.286 2.238 20 30 GEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331311562 647379511 /nfs/dbraw/zinc/37/95/11/647379511.db2.gz HRLYHJXVQSNSQL-UHFFFAOYSA-N 1 0 390.278 2.176 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000369629374 647780730 /nfs/dbraw/zinc/78/07/30/647780730.db2.gz MFNOAZKLMMEVIX-XHDPSFHLSA-N 1 0 384.299 2.035 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000408112806 647927589 /nfs/dbraw/zinc/92/75/89/647927589.db2.gz OBCMIBKPYCRRLB-NEPJUHHUSA-N 1 0 386.315 2.424 20 30 GEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000409597514 647972004 /nfs/dbraw/zinc/97/20/04/647972004.db2.gz NBJKXNGVAIPYQF-HNNXBMFYSA-N 1 0 386.949 2.430 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416417158 648120391 /nfs/dbraw/zinc/12/03/91/648120391.db2.gz NDZAPBSDUADVRX-ZIAGYGMSSA-N 1 0 386.315 2.472 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1Br ZINC000419656426 648360130 /nfs/dbraw/zinc/36/01/30/648360130.db2.gz ULAWPOAAWUXLIT-UHFFFAOYSA-N 1 0 393.285 2.251 20 30 GEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C(C)(C)C[NH+](C)C ZINC000419668316 648360992 /nfs/dbraw/zinc/36/09/92/648360992.db2.gz ALEZNCUKQFBNPE-LLVKDONJSA-N 1 0 395.301 2.352 20 30 GEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419681011 648363895 /nfs/dbraw/zinc/36/38/95/648363895.db2.gz TWGDBXSTWKYMCC-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419702505 648367426 /nfs/dbraw/zinc/36/74/26/648367426.db2.gz CFKNCMHETHBPEL-ZDUSSCGKSA-N 1 0 393.285 2.250 20 30 GEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419704323 648367699 /nfs/dbraw/zinc/36/76/99/648367699.db2.gz HLYSERQSVGKPSH-UHFFFAOYSA-N 1 0 381.274 2.107 20 30 GEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419711776 648369641 /nfs/dbraw/zinc/36/96/41/648369641.db2.gz PVDPDBNJUPKYRF-GFCCVEGCSA-N 1 0 393.285 2.059 20 30 GEEDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000421288097 648483802 /nfs/dbraw/zinc/48/38/02/648483802.db2.gz KTILHUCGGBODBB-UHFFFAOYSA-N 1 0 393.285 2.248 20 30 GEEDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C[NH3+] ZINC000422557045 648559022 /nfs/dbraw/zinc/55/90/22/648559022.db2.gz VHUKBRMQTLBKMO-WZRBSPASSA-N 1 0 386.315 2.315 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424114949 648614130 /nfs/dbraw/zinc/61/41/30/648614130.db2.gz SSMNPEJCDDPQRO-ZDUSSCGKSA-N 1 0 381.274 2.224 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000424189052 648615963 /nfs/dbraw/zinc/61/59/63/648615963.db2.gz MPWNCLBVXARETO-LBPRGKRZSA-N 1 0 378.230 2.136 20 30 GEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425749153 648694324 /nfs/dbraw/zinc/69/43/24/648694324.db2.gz WCKGUVCTEQHLNA-UHFFFAOYSA-N 1 0 381.274 2.026 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000552518860 651151544 /nfs/dbraw/zinc/15/15/44/651151544.db2.gz NEYHZXYJXDTTBR-ZBFHGGJFSA-N 1 0 381.567 2.283 20 30 GEEDRO N#Cc1ccc(Br)c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000603240857 651473609 /nfs/dbraw/zinc/47/36/09/651473609.db2.gz FQXZEYVJRWHCEF-INIZCTEOSA-N 1 0 376.258 2.387 20 30 GEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000565609471 651593344 /nfs/dbraw/zinc/59/33/44/651593344.db2.gz OOYLROCTGCKHEQ-ZDUSSCGKSA-N 1 0 395.276 2.251 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588571 651628197 /nfs/dbraw/zinc/62/81/97/651628197.db2.gz ABQWXVFWRRNSTP-IUODEOHRSA-N 1 0 379.810 2.188 20 30 GEEDRO CC[NH+]1CCN(CCC(=O)N[C@H](C#N)c2ccccc2Br)CC1 ZINC000610429139 651661166 /nfs/dbraw/zinc/66/11/66/651661166.db2.gz WHVWKSBXDQTVGZ-MRXNPFEDSA-N 1 0 379.302 2.158 20 30 GEEDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)OCCc2sccc21 ZINC000568742051 651678131 /nfs/dbraw/zinc/67/81/31/651678131.db2.gz FQLSJELWHBAESY-GOSISDBHSA-N 1 0 376.503 2.471 20 30 GEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000569946048 651736356 /nfs/dbraw/zinc/73/63/56/651736356.db2.gz FDCITZIDUONSGD-NSHDSACASA-N 1 0 395.301 2.352 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000570717889 651786697 /nfs/dbraw/zinc/78/66/97/651786697.db2.gz HEFZDGOPVMYECD-UHFFFAOYSA-N 1 0 398.326 2.475 20 30 GEEDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000571561441 651840238 /nfs/dbraw/zinc/84/02/38/651840238.db2.gz PRYCONSLMNYSPG-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000571937291 651862531 /nfs/dbraw/zinc/86/25/31/651862531.db2.gz QWSOEEPZZPSUSL-RDJZCZTQSA-N 1 0 391.313 2.158 20 30 GEEDRO N#Cc1cc(F)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Br ZINC000572781646 651912160 /nfs/dbraw/zinc/91/21/60/651912160.db2.gz XPJRQJJFWIHEGG-UHFFFAOYSA-N 1 0 398.276 2.123 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574044796 651997076 /nfs/dbraw/zinc/99/70/76/651997076.db2.gz FHGZTBDMHLNDCE-NVXWUHKLSA-N 1 0 391.313 2.158 20 30 GEEDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000576388283 652112767 /nfs/dbraw/zinc/11/27/67/652112767.db2.gz LBJKRGKZNHHZGG-UKRRQHHQSA-N 1 0 375.416 2.385 20 30 GEEDRO C#CCN1C(=O)C(=NNCC[NH+]2CCCCC2)c2cc(Br)ccc21 ZINC000747047926 652135673 /nfs/dbraw/zinc/13/56/73/652135673.db2.gz MMVDUCAICALUBM-UHFFFAOYSA-N 1 0 389.297 2.209 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000577279676 652176448 /nfs/dbraw/zinc/17/64/48/652176448.db2.gz DYHFRMMGCLBCLJ-AWEZNQCLSA-N 1 0 398.326 2.331 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000748817951 652218320 /nfs/dbraw/zinc/21/83/20/652218320.db2.gz PXYPZYSMIVDABY-UHFFFAOYSA-N 1 0 392.341 2.137 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000751105396 652323925 /nfs/dbraw/zinc/32/39/25/652323925.db2.gz VEFUPUBLACYCDR-CQSZACIVSA-N 1 0 383.901 2.133 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186175 652417737 /nfs/dbraw/zinc/41/77/37/652417737.db2.gz REMAEKBUJOVWJS-CQSZACIVSA-N 1 0 386.265 2.274 20 30 GEEDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000754978000 652454186 /nfs/dbraw/zinc/45/41/86/652454186.db2.gz BXYIEQVKZFGIEE-LBPRGKRZSA-N 1 0 376.507 2.126 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631662911 652530423 /nfs/dbraw/zinc/53/04/23/652530423.db2.gz GJGARPZUNQIIJW-UHFFFAOYSA-N 1 0 391.990 2.357 20 30 GEEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588633788 652553481 /nfs/dbraw/zinc/55/34/81/652553481.db2.gz OYQQKHPEDQZZRV-CYBMUJFWSA-N 1 0 393.285 2.250 20 30 GEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589319900 652565618 /nfs/dbraw/zinc/56/56/18/652565618.db2.gz XYLJELVQFBOBDN-ZFWWWQNUSA-N 1 0 375.416 2.385 20 30 GEEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000590253564 652577617 /nfs/dbraw/zinc/57/76/17/652577617.db2.gz CODDUFMCFOMAPL-AWEZNQCLSA-N 1 0 393.285 2.248 20 30 GEEDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Br)cc1C#N)CCO2 ZINC000592898029 652607424 /nfs/dbraw/zinc/60/74/24/652607424.db2.gz AGMSQGFPTNNWTA-UHFFFAOYSA-N 1 0 378.270 2.258 20 30 GEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593450509 652621537 /nfs/dbraw/zinc/62/15/37/652621537.db2.gz NFWYLRPREKHPED-KRWDZBQOSA-N 1 0 394.313 2.432 20 30 GEEDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593453331 652621583 /nfs/dbraw/zinc/62/15/83/652621583.db2.gz VFHHWUDTYQYIND-INIZCTEOSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000593738385 652634305 /nfs/dbraw/zinc/63/43/05/652634305.db2.gz ZGFSWYHLGAGSCO-DXCKQFNASA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000593735916 652634351 /nfs/dbraw/zinc/63/43/51/652634351.db2.gz RCFMMWOMUXVZBN-LZWOXQAQSA-N 1 0 383.901 2.119 20 30 GEEDRO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Br)cc1 ZINC000594430982 652648387 /nfs/dbraw/zinc/64/83/87/652648387.db2.gz FDRPKXARAMRWGL-KBPBESRZSA-N 1 0 382.258 2.191 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000594832470 652690639 /nfs/dbraw/zinc/69/06/39/652690639.db2.gz YODOHDKQFUNKGW-UHFFFAOYSA-N 1 0 376.507 2.205 20 30 GEEDRO COC[C@]1(CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC[NH2+]1 ZINC000595112150 652704603 /nfs/dbraw/zinc/70/46/03/652704603.db2.gz UDHFHBKILNGKIH-QGZVFWFLSA-N 1 0 379.507 2.128 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000598614877 652824689 /nfs/dbraw/zinc/82/46/89/652824689.db2.gz GJJHWMSOWPVRPW-NSHDSACASA-N 1 0 377.436 2.370 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723648 652831637 /nfs/dbraw/zinc/83/16/37/652831637.db2.gz JFIBQMWWWOUKDS-LSDHHAIUSA-N 1 0 380.286 2.445 20 30 GEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000599352151 652863747 /nfs/dbraw/zinc/86/37/47/652863747.db2.gz NYOZLLDPFFPZSV-DLBZAZTESA-N 1 0 397.313 2.486 20 30 GEEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601428591 653094335 /nfs/dbraw/zinc/09/43/35/653094335.db2.gz NRNXIMQORYIBCX-UHFFFAOYSA-N 1 0 386.315 2.426 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccccc2I)CC1 ZINC000769020899 653141002 /nfs/dbraw/zinc/14/10/02/653141002.db2.gz ILGZNEDUIAXXHS-UHFFFAOYSA-N 1 0 382.245 2.253 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000602168633 653154034 /nfs/dbraw/zinc/15/40/34/653154034.db2.gz ZBUXYFSZQBAJRU-OKILXGFUSA-N 1 0 378.270 2.443 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547487 653190076 /nfs/dbraw/zinc/19/00/76/653190076.db2.gz ZDFNFSZGYFBLNR-CABCVRRESA-N 1 0 393.285 2.082 20 30 GEEDRO CN1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000602654314 653198135 /nfs/dbraw/zinc/19/81/35/653198135.db2.gz LCSBFFUUOUYSOV-HOTGVXAUSA-N 1 0 389.301 2.337 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807780515 653204412 /nfs/dbraw/zinc/20/44/12/653204412.db2.gz XBQMFFWBFYFCEW-MRXNPFEDSA-N 1 0 394.313 2.038 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000836341807 653345580 /nfs/dbraw/zinc/34/55/80/653345580.db2.gz UHLUGYCDAAOUJN-CQSZACIVSA-N 1 0 382.302 2.471 20 30 GEEDRO C#C[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000836346054 653346096 /nfs/dbraw/zinc/34/60/96/653346096.db2.gz QYWAEKWONJGQSA-MRXNPFEDSA-N 1 0 382.302 2.391 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000813813725 653616728 /nfs/dbraw/zinc/61/67/28/653616728.db2.gz CEJLXYXPNHOTPB-UHFFFAOYSA-N 1 0 377.286 2.334 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000815861041 653666880 /nfs/dbraw/zinc/66/68/80/653666880.db2.gz NTDTUHRQSUEJPX-UHFFFAOYSA-N 1 0 386.279 2.402 20 30 GEEDRO C[NH+]1CCC(C/N=C\c2cc(Br)ccc2O)(N2CCOCC2)CC1 ZINC000840710656 653691652 /nfs/dbraw/zinc/69/16/52/653691652.db2.gz LITIWLHDHWRNNP-MOSHPQCFSA-N 1 0 396.329 2.370 20 30 GEEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000862851023 653696536 /nfs/dbraw/zinc/69/65/36/653696536.db2.gz DTMYZQATVIFOJQ-GOSISDBHSA-N 1 0 395.297 2.084 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000840952048 653703455 /nfs/dbraw/zinc/70/34/55/653703455.db2.gz PVHVTAUQSZEIKF-UHFFFAOYSA-N 1 0 385.873 2.323 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194671 653710064 /nfs/dbraw/zinc/71/00/64/653710064.db2.gz OUTHQVIJKILDEU-ONGXEEELSA-N 1 0 393.270 2.201 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225968 653711086 /nfs/dbraw/zinc/71/10/86/653711086.db2.gz LWSZSTHXISVWHF-PSASIEDQSA-N 1 0 393.270 2.201 20 30 GEEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000863589014 653716704 /nfs/dbraw/zinc/71/67/04/653716704.db2.gz IVSXHPQEEXCJJW-CHWSQXEVSA-N 1 0 376.678 2.470 20 30 GEEDRO C#C[C@@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000841999086 653743480 /nfs/dbraw/zinc/74/34/80/653743480.db2.gz ZWUXCNTYSYJJPP-NVXWUHKLSA-N 1 0 380.286 2.191 20 30 GEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc(C#N)cc1Br ZINC000881901758 653748404 /nfs/dbraw/zinc/74/84/04/653748404.db2.gz HRGXYLLQQQFWBM-AWEZNQCLSA-N 1 0 380.290 2.070 20 30 GEEDRO C#CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819736810 653756518 /nfs/dbraw/zinc/75/65/18/653756518.db2.gz PXVKAOFAMAULAA-CYBMUJFWSA-N 1 0 382.302 2.424 20 30 GEEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843459497 653787342 /nfs/dbraw/zinc/78/73/42/653787342.db2.gz FKPRDHLHAZRIOM-SWLSCSKDSA-N 1 0 388.269 2.093 20 30 GEEDRO N#Cc1ccc(C[N@H+]2CCCN(CCn3cnc(Br)n3)CC2)cc1 ZINC000821336614 653795195 /nfs/dbraw/zinc/79/51/95/653795195.db2.gz FKIFGRSFGDYHBD-UHFFFAOYSA-N 1 0 389.301 2.120 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194056 653802942 /nfs/dbraw/zinc/80/29/42/653802942.db2.gz VTYJDYDHHWYWFH-RISCZKNCSA-N 1 0 391.294 2.343 20 30 GEEDRO N#Cc1nc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000883076775 653824802 /nfs/dbraw/zinc/82/48/02/653824802.db2.gz MYFXNVXCKZKQAZ-UHFFFAOYSA-N 1 0 387.241 2.465 20 30 GEEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Br)c(C#N)n2)CCSC1 ZINC000883094763 653826370 /nfs/dbraw/zinc/82/63/70/653826370.db2.gz LAIHSTSKOGWMNQ-CQSZACIVSA-N 1 0 384.303 2.275 20 30 GEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883104267 653827393 /nfs/dbraw/zinc/82/73/93/653827393.db2.gz UZEVINLKXPAMQD-LLVKDONJSA-N 1 0 396.289 2.025 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000792003019 653831606 /nfs/dbraw/zinc/83/16/06/653831606.db2.gz FSSVNDUFERLECD-UHFFFAOYSA-N 1 0 385.327 2.177 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)ccc1C(F)(F)F ZINC000883471425 653841305 /nfs/dbraw/zinc/84/13/05/653841305.db2.gz KTEUVWZMZCJAGZ-UHFFFAOYSA-N 1 0 375.294 2.089 20 30 GEEDRO C#C[C@@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000895686563 653845972 /nfs/dbraw/zinc/84/59/72/653845972.db2.gz DULKHINEYWTKLZ-QGZVFWFLSA-N 1 0 393.329 2.012 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335666 653873011 /nfs/dbraw/zinc/87/30/11/653873011.db2.gz ZPXNPCOURYIJDE-CBJWCSDNSA-N 1 0 394.244 2.277 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846235162 653892797 /nfs/dbraw/zinc/89/27/97/653892797.db2.gz UEYRUXQAZHPPNT-MAZHCROVSA-N 1 0 383.901 2.261 20 30 GEEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000847022638 653915438 /nfs/dbraw/zinc/91/54/38/653915438.db2.gz IIRCEZQTCKRRIQ-AWEZNQCLSA-N 1 0 381.307 2.382 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000848566637 653987703 /nfs/dbraw/zinc/98/77/03/653987703.db2.gz CUPQLAIWHMXWRM-CQSZACIVSA-N 1 0 375.270 2.237 20 30 GEEDRO C#CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000886574802 653992063 /nfs/dbraw/zinc/99/20/63/653992063.db2.gz UMQOYCUUKKYTIR-UHFFFAOYSA-N 1 0 394.269 2.456 20 30 GEEDRO C#CCN(C(=O)c1nc(C2CC2)ncc1Br)C1CC[NH+](C)CC1 ZINC000886571252 653992272 /nfs/dbraw/zinc/99/22/72/653992272.db2.gz ONNWPHFFWRATCC-UHFFFAOYSA-N 1 0 377.286 2.286 20 30 GEEDRO C#CCN(C(=O)c1cn2ccc(Br)cc2n1)C1CC[NH+](C)CC1 ZINC000886576190 653992420 /nfs/dbraw/zinc/99/24/20/653992420.db2.gz ZQMBHWHMNJPZDQ-UHFFFAOYSA-N 1 0 375.270 2.266 20 30 GEEDRO C#CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000886579731 653992540 /nfs/dbraw/zinc/99/25/40/653992540.db2.gz GQCIEPSQRLLSIO-UHFFFAOYSA-N 1 0 394.269 2.456 20 30 GEEDRO O=C(NCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)C1N=CC=CC1=O ZINC000796309508 653995553 /nfs/dbraw/zinc/99/55/53/653995553.db2.gz XHRPQPGVHNWJRF-JQIJEIRASA-N 1 0 380.235 2.257 20 30 GEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000886889214 654006919 /nfs/dbraw/zinc/00/69/19/654006919.db2.gz LGLUAPAJZWLGHL-ZFWWWQNUSA-N 1 0 375.416 2.291 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccccc1I ZINC000796989312 654014769 /nfs/dbraw/zinc/01/47/69/654014769.db2.gz PGXAMRQNLIQOFS-CQSZACIVSA-N 1 0 383.229 2.475 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000900511809 654068042 /nfs/dbraw/zinc/06/80/42/654068042.db2.gz QIKNXEPXOYDOAY-UHFFFAOYSA-N 1 0 378.274 2.358 20 30 GEEDRO C[NH+]1CCC(NCc2cn(Cc3cc(C#N)ccc3Br)nn2)CC1 ZINC000900559360 654069699 /nfs/dbraw/zinc/06/96/99/654069699.db2.gz CNMNNLKDEVIPIC-UHFFFAOYSA-N 1 0 389.301 2.144 20 30 GEEDRO N#Cc1ccc(N2CCC([NH2+]CCS(=O)(=O)CC(F)(F)F)CC2)cc1 ZINC000850365918 654073438 /nfs/dbraw/zinc/07/34/38/654073438.db2.gz TZKADKHRQFNTNL-UHFFFAOYSA-N 1 0 375.416 2.094 20 30 GEEDRO NC(=[NH2+])NN=Cc1cc(I)c(Br)cc1F ZINC000799109164 654084873 /nfs/dbraw/zinc/08/48/73/654084873.db2.gz XKDYLTFQZGXIEM-UHFFFAOYSA-N 1 0 384.978 2.010 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000830161907 654102459 /nfs/dbraw/zinc/10/24/59/654102459.db2.gz AYQKHSRXYJCOCW-UHFFFAOYSA-N 1 0 375.270 2.163 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000917092023 654113263 /nfs/dbraw/zinc/11/32/63/654113263.db2.gz HKGOPXJIZKATBP-UHFFFAOYSA-N 1 0 382.306 2.421 20 30 GEEDRO N#CCCNC(=O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830514766 654123494 /nfs/dbraw/zinc/12/34/94/654123494.db2.gz LROWNOOMXDLMJK-AWEZNQCLSA-N 1 0 397.260 2.185 20 30 GEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000831191456 654169986 /nfs/dbraw/zinc/16/99/86/654169986.db2.gz UVYYBEJPAQQPIU-SNVBAGLBSA-N 1 0 390.278 2.222 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000903503132 654242320 /nfs/dbraw/zinc/24/23/20/654242320.db2.gz FFCLGIANIPMFDN-MLGOLLRUSA-N 1 0 398.326 2.473 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852803887 654261138 /nfs/dbraw/zinc/26/11/38/654261138.db2.gz FOWAKYSQAIPHAS-UHFFFAOYSA-N 1 0 392.297 2.157 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000852821315 654261727 /nfs/dbraw/zinc/26/17/27/654261727.db2.gz KTDRBMBOPXMHMM-QGZVFWFLSA-N 1 0 377.282 2.352 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000852825098 654262052 /nfs/dbraw/zinc/26/20/52/654262052.db2.gz KHWLIKYABUFOCN-UHFFFAOYSA-N 1 0 388.269 2.030 20 30 GEEDRO COc1cc(Br)c(CNC(=O)C#CC2CC[NH2+]CC2)cc1OC ZINC000852832217 654262213 /nfs/dbraw/zinc/26/22/13/654262213.db2.gz IDHKBZWBWDINQY-UHFFFAOYSA-N 1 0 381.270 2.086 20 30 GEEDRO C#CCCCS(=O)(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC000903651851 654272788 /nfs/dbraw/zinc/27/27/88/654272788.db2.gz BSQVZKYUJSJXKU-UHFFFAOYSA-N 1 0 378.523 2.203 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642978 654316055 /nfs/dbraw/zinc/31/60/55/654316055.db2.gz BILVVHPJNUFRAJ-GOEBONIOSA-N 1 0 394.313 2.181 20 30 GEEDRO CCCOc1c(Br)cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1OC ZINC000834506749 654330682 /nfs/dbraw/zinc/33/06/82/654330682.db2.gz VOHRZIQWRROUFX-DGCLKSJQSA-N 1 0 382.258 2.088 20 30 GEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922106770 654367872 /nfs/dbraw/zinc/36/78/72/654367872.db2.gz TULSKMNUAIMPGU-SWLSCSKDSA-N 1 0 386.315 2.128 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nscc1I ZINC000906413314 654435599 /nfs/dbraw/zinc/43/55/99/654435599.db2.gz CZWVNXKIWYXLBI-UHFFFAOYSA-N 1 0 392.266 2.055 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906701201 654462597 /nfs/dbraw/zinc/46/25/97/654462597.db2.gz NVQIZSJHMRNJPH-AWEZNQCLSA-N 1 0 396.285 2.067 20 30 GEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906947458 654491426 /nfs/dbraw/zinc/49/14/26/654491426.db2.gz LNUZYDXWKDWIIV-GFCCVEGCSA-N 1 0 386.315 2.283 20 30 GEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906947461 654491515 /nfs/dbraw/zinc/49/15/15/654491515.db2.gz LNUZYDXWKDWIIV-LBPRGKRZSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907052875 654504144 /nfs/dbraw/zinc/50/41/44/654504144.db2.gz HYRQBWSQQKUWMN-BLLLJJGKSA-N 1 0 398.326 2.426 20 30 GEEDRO O=C(NCC[NH2+][C@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407907 654543983 /nfs/dbraw/zinc/54/39/83/654543983.db2.gz HHKXBGAWVGUQSF-WPCFGXOUSA-N 1 0 391.269 2.338 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219509 654563645 /nfs/dbraw/zinc/56/36/45/654563645.db2.gz POIOKUYOWSGWMG-CPCISQLKSA-N 1 0 390.612 2.178 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(F)c2I)CC1 ZINC000928655564 654654778 /nfs/dbraw/zinc/65/47/78/654654778.db2.gz ZIIKHPMIPOGSFC-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(I)ccc2F)CC1 ZINC000928656490 654654855 /nfs/dbraw/zinc/65/48/55/654654855.db2.gz WMCSVUXPUWYQCO-UHFFFAOYSA-N 1 0 386.208 2.258 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000909362939 654661464 /nfs/dbraw/zinc/66/14/64/654661464.db2.gz NTWXSULCXQZGKZ-AWEZNQCLSA-N 1 0 387.293 2.363 20 30 GEEDRO C[C@@](O)(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000929166287 654674084 /nfs/dbraw/zinc/67/40/84/654674084.db2.gz NGIAQLAWQRWTIY-SNVBAGLBSA-N 1 0 386.283 2.326 20 30 GEEDRO O=C(CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1)NC(=O)NCC(F)(F)F ZINC000931919670 654761779 /nfs/dbraw/zinc/76/17/79/654761779.db2.gz QTJIFYGAQLUJEB-JTQLQIEISA-N 1 0 379.276 2.131 20 30 GEEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932551785 654781448 /nfs/dbraw/zinc/78/14/48/654781448.db2.gz UWPIHIDAVOGJAH-LLVKDONJSA-N 1 0 384.221 2.236 20 30 GEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811251 654791449 /nfs/dbraw/zinc/79/14/49/654791449.db2.gz IFJNYHLMLPNAJQ-KSSFIOAISA-N 1 0 394.313 2.493 20 30 GEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811250 654791559 /nfs/dbraw/zinc/79/15/59/654791559.db2.gz IFJNYHLMLPNAJQ-KDOFPFPSSA-N 1 0 394.313 2.493 20 30 GEEDRO CC[N@H+](C)C[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945285 654795521 /nfs/dbraw/zinc/79/55/21/654795521.db2.gz UYYVTRFUCODEEY-BBBLOLIVSA-N 1 0 384.311 2.402 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000913524528 654797009 /nfs/dbraw/zinc/79/70/09/654797009.db2.gz QDHYRTKJECAQBM-UHFFFAOYSA-N 1 0 381.299 2.050 20 30 GEEDRO C#CCC1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCC1 ZINC000933299786 654807153 /nfs/dbraw/zinc/80/71/53/654807153.db2.gz KCOMJCXPQXMDGA-UHFFFAOYSA-N 1 0 378.270 2.039 20 30 GEEDRO C[C@@](CO)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000934493799 654850746 /nfs/dbraw/zinc/85/07/46/654850746.db2.gz FQRMWPYKZOKCPM-SJORKVTESA-N 1 0 397.313 2.318 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164685587 719731491 /nfs/dbraw/zinc/73/14/91/719731491.db2.gz MLMXXIDBCAJECO-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C)c1C#N)C2 ZINC001164809664 720120188 /nfs/dbraw/zinc/12/01/88/720120188.db2.gz HUZVUQZQMDMUPH-KXBFYZLASA-N 1 0 375.904 2.495 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCC3)CC1 ZINC001164821442 720338581 /nfs/dbraw/zinc/33/85/81/720338581.db2.gz AIQGYRJMKIQDTB-LEWJYISDSA-N 1 0 393.535 2.353 20 30 GEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001164734025 720533069 /nfs/dbraw/zinc/53/30/69/720533069.db2.gz GARGFDGHQWPRRL-AWEZNQCLSA-N 1 0 391.435 2.409 20 30 GEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840239 720581105 /nfs/dbraw/zinc/58/11/05/720581105.db2.gz PHLHRLZVZFOARX-AYBZRNKSSA-N 1 0 390.495 2.404 20 30 GEEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738052 720728492 /nfs/dbraw/zinc/72/84/92/720728492.db2.gz DONVZIGLKDOLMR-MOPGFXCFSA-N 1 0 393.567 2.442 20 30 GEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742698 720816380 /nfs/dbraw/zinc/81/63/80/720816380.db2.gz QPWYLAFRIIBZDU-NZSAHSFTSA-N 1 0 381.459 2.063 20 30 GEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737425 720818217 /nfs/dbraw/zinc/81/82/17/720818217.db2.gz AZTCWTYQGUWXNQ-XUVXKRRUSA-N 1 0 377.496 2.233 20 30 GEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(Cl)c(C)c3C#N)CC[C@@H]2C1 ZINC001164855616 720835411 /nfs/dbraw/zinc/83/54/11/720835411.db2.gz UJUCMJJSJOFSAV-WBVHZDCISA-N 1 0 378.904 2.397 20 30 GEEDRO N#Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866036 721061093 /nfs/dbraw/zinc/06/10/93/721061093.db2.gz BXKFRCQTPDOGHL-MOPGFXCFSA-N 1 0 386.459 2.376 20 30 GEEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCC2 ZINC001164877653 721144381 /nfs/dbraw/zinc/14/43/81/721144381.db2.gz PPCMELRBBKLISL-PMACEKPBSA-N 1 0 375.476 2.317 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890938 721395869 /nfs/dbraw/zinc/39/58/69/721395869.db2.gz PKOZYZLWEFGKJU-OXJNMPFZSA-N 1 0 389.931 2.372 20 30 GEEDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165026571 721805916 /nfs/dbraw/zinc/80/59/16/721805916.db2.gz RGYJHPMZSHTYAN-IPELMVKDSA-N 1 0 378.480 2.489 20 30 GEEDRO Cc1nc(C#N)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960739 722058905 /nfs/dbraw/zinc/05/89/05/722058905.db2.gz KDLPVBNGSXLAFN-UHFFFAOYSA-N 1 0 378.480 2.171 20 30 GEEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000155239028 531668553 /nfs/dbraw/zinc/66/85/53/531668553.db2.gz COTIKVHMZBYOID-SMDDNHRTSA-N 1 0 386.315 2.424 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000155123511 531657405 /nfs/dbraw/zinc/65/74/05/531657405.db2.gz KALMHGJNNKZAOP-LLVKDONJSA-N 1 0 384.299 2.083 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2Br)c1C#N ZINC000133706575 532241670 /nfs/dbraw/zinc/24/16/70/532241670.db2.gz DLRIOKBOOPOBJM-UHFFFAOYSA-N 1 0 376.258 2.377 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191809301 532367892 /nfs/dbraw/zinc/36/78/92/532367892.db2.gz DWABMPMAMUGAQR-KRWDZBQOSA-N 1 0 391.313 2.059 20 30 GEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295019688 532397293 /nfs/dbraw/zinc/39/72/93/532397293.db2.gz ZAHPYNBWDRUIPG-CQSZACIVSA-N 1 0 393.329 2.324 20 30 GEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000561539942 532444742 /nfs/dbraw/zinc/44/47/42/532444742.db2.gz WCTVRZQQLMTIFH-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000592375569 532452144 /nfs/dbraw/zinc/45/21/44/532452144.db2.gz XPTZMKZXWNNVMF-BBRMVZONSA-N 1 0 398.326 2.473 20 30 GEEDRO CN(CCC[NH+](C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592783131 532465159 /nfs/dbraw/zinc/46/51/59/532465159.db2.gz JWHQWVWTIOLPLL-UHFFFAOYSA-N 1 0 379.302 2.167 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000593113649 532470451 /nfs/dbraw/zinc/47/04/51/532470451.db2.gz ZQAFGMYLQAAXKJ-ZDUSSCGKSA-N 1 0 378.270 2.419 20 30 GEEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 ZINC000373796975 532471053 /nfs/dbraw/zinc/47/10/53/532471053.db2.gz YLYOVKWEOADUKJ-AWEZNQCLSA-N 1 0 398.326 2.066 20 30 GEEDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000432870214 532547165 /nfs/dbraw/zinc/54/71/65/532547165.db2.gz BJPXOURLCXPKGI-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(Cl)cc1 ZINC000565711760 532573301 /nfs/dbraw/zinc/57/33/01/532573301.db2.gz GKDDSQJEZOZEPW-CYBMUJFWSA-N 1 0 379.869 2.437 20 30 GEEDRO COc1cc(I)c(Cl)cc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262661853 532596615 /nfs/dbraw/zinc/59/66/15/532596615.db2.gz NDIGDKDAJDGIEZ-SSDOTTSWSA-N 1 0 379.629 2.391 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCOC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262834140 532603443 /nfs/dbraw/zinc/60/34/43/532603443.db2.gz RZGJCQANNZMSOI-HUUCEWRRSA-N 1 0 395.345 2.477 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000474172961 532609101 /nfs/dbraw/zinc/60/91/01/532609101.db2.gz HSFQAUPABREOPJ-OAHLLOKOSA-N 1 0 385.917 2.333 20 30 GEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673755 532623861 /nfs/dbraw/zinc/62/38/61/532623861.db2.gz ZHOUQCIVLKYNAU-STQMWFEESA-N 1 0 398.301 2.077 20 30 GEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000598342199 532644579 /nfs/dbraw/zinc/64/45/79/532644579.db2.gz KEQUTDZFOGZLCP-MRXNPFEDSA-N 1 0 391.313 2.357 20 30 GEEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000567866222 532666793 /nfs/dbraw/zinc/66/67/93/532666793.db2.gz RGLOJJWMYLSSRN-GHMZBOCLSA-N 1 0 376.511 2.949 20 30 GEEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000633008147 532656388 /nfs/dbraw/zinc/65/63/88/532656388.db2.gz DVIPVHIWVYPYRX-SECBINFHSA-N 1 0 375.244 2.097 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000378238376 532685051 /nfs/dbraw/zinc/68/50/51/532685051.db2.gz ZTJWGZVCNHZQBU-XOKHGSTOSA-N 1 0 383.901 2.084 20 30 GEEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000568763381 532686596 /nfs/dbraw/zinc/68/65/96/532686596.db2.gz HXVBCKOSNPZTOF-LBPRGKRZSA-N 1 0 386.905 2.201 20 30 GEEDRO N#Cc1ncn(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000285426184 532679403 /nfs/dbraw/zinc/67/94/03/532679403.db2.gz HABGLZGWYVZCNN-UHFFFAOYSA-N 1 0 389.301 2.166 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000600744545 532681309 /nfs/dbraw/zinc/68/13/09/532681309.db2.gz CPTCOSXBLHWNPC-ZIAGYGMSSA-N 1 0 385.277 2.384 20 30 GEEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600748470 532681410 /nfs/dbraw/zinc/68/14/10/532681410.db2.gz NMMHRSZABUXCKE-CJNGLKHVSA-N 1 0 397.313 2.253 20 30 GEEDRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1Br ZINC000600750409 532681887 /nfs/dbraw/zinc/68/18/87/532681887.db2.gz VXYYNRJOSGZHGH-HUUCEWRRSA-N 1 0 397.313 2.253 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000600744520 532681989 /nfs/dbraw/zinc/68/19/89/532681989.db2.gz CPTCOSXBLHWNPC-KBPBESRZSA-N 1 0 385.277 2.384 20 30 GEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000499989925 532729291 /nfs/dbraw/zinc/72/92/91/532729291.db2.gz VGSONNLEQIFAAP-HNNXBMFYSA-N 1 0 380.286 2.496 20 30 GEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000500679359 532732482 /nfs/dbraw/zinc/73/24/82/532732482.db2.gz QSBPSCMWDJAZKS-RISCZKNCSA-N 1 0 393.285 2.200 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000299452878 532718889 /nfs/dbraw/zinc/71/88/89/532718889.db2.gz RJIVOBNLEDTKJX-UHFFFAOYSA-N 1 0 390.325 2.443 20 30 GEEDRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)ccc1C#N ZINC000440627214 532719783 /nfs/dbraw/zinc/71/97/83/532719783.db2.gz SOKCJVYRMMISFL-UHFFFAOYSA-N 1 0 379.507 2.313 20 30 GEEDRO CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000502840654 532741305 /nfs/dbraw/zinc/74/13/05/532741305.db2.gz DCDQUJHZLQYCEP-OAHLLOKOSA-N 1 0 383.901 2.439 20 30 GEEDRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000301359722 532750165 /nfs/dbraw/zinc/75/01/65/532750165.db2.gz PSUUURDKGOZQSG-LBPRGKRZSA-N 1 0 376.507 2.126 20 30 GEEDRO COc1ccc(CCNC(=[NH2+])NCCCn2cc(Br)cn2)cc1 ZINC000287363328 532792943 /nfs/dbraw/zinc/79/29/43/532792943.db2.gz YMJBZAPNOYXQSN-UHFFFAOYSA-N 1 0 380.290 2.191 20 30 GEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000287416711 532794542 /nfs/dbraw/zinc/79/45/42/532794542.db2.gz AUYRGHIDNDNHSG-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330674007 532825039 /nfs/dbraw/zinc/82/50/39/532825039.db2.gz PWPGPHWUZXLPMF-LBPRGKRZSA-N 1 0 386.315 2.426 20 30 GEEDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330674006 532825128 /nfs/dbraw/zinc/82/51/28/532825128.db2.gz PWPGPHWUZXLPMF-GFCCVEGCSA-N 1 0 386.315 2.426 20 30 GEEDRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000330673554 532825343 /nfs/dbraw/zinc/82/53/43/532825343.db2.gz PKPNEGKVFBLFET-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000331467906 532840383 /nfs/dbraw/zinc/84/03/83/532840383.db2.gz HVFWLHJQKBGKBU-CMPLNLGQSA-N 1 0 384.299 2.224 20 30 GEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000415557733 532849985 /nfs/dbraw/zinc/84/99/85/532849985.db2.gz XBQPAWBZCDJUCX-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415571740 532850256 /nfs/dbraw/zinc/85/02/56/532850256.db2.gz UENVTWRGXHQEHE-RYUDHWBXSA-N 1 0 396.285 2.161 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415856334 532861136 /nfs/dbraw/zinc/86/11/36/532861136.db2.gz FHAVLFTWYLHMCY-UHFFFAOYSA-N 1 0 396.285 2.211 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000291198930 532897774 /nfs/dbraw/zinc/89/77/74/532897774.db2.gz AFYMLEBNESDDOX-UHFFFAOYSA-N 1 0 376.404 2.257 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000364261982 532905662 /nfs/dbraw/zinc/90/56/62/532905662.db2.gz UWVQMSXDWNYDNA-HUUCEWRRSA-N 1 0 384.299 2.213 20 30 GEEDRO N#CCCOCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000292757015 532918233 /nfs/dbraw/zinc/91/82/33/532918233.db2.gz IPARGPCJHBLEFT-CYBMUJFWSA-N 1 0 381.274 2.425 20 30 GEEDRO C=CC[NH+]1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292955961 532920290 /nfs/dbraw/zinc/92/02/90/532920290.db2.gz CIKGPVPXHZGHMA-UHFFFAOYSA-N 1 0 390.285 2.452 20 30 GEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367791693 532927283 /nfs/dbraw/zinc/92/72/83/532927283.db2.gz MDLOIIIYIYHUPN-ZDUSSCGKSA-N 1 0 382.306 2.118 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000293475908 532927476 /nfs/dbraw/zinc/92/74/76/532927476.db2.gz VESXGDCYQIYFBR-UHFFFAOYSA-N 1 0 386.677 2.112 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000294215944 532937220 /nfs/dbraw/zinc/93/72/20/532937220.db2.gz WQLRCGCSNGBRLK-JSGCOSHPSA-N 1 0 393.285 2.248 20 30 GEEDRO C[NH+]1CCC(n2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)n2)CC1 ZINC000369683798 532940354 /nfs/dbraw/zinc/94/03/54/532940354.db2.gz PDZIKXHTEVMWQD-UHFFFAOYSA-N 1 0 379.873 2.476 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000294404039 532938591 /nfs/dbraw/zinc/93/85/91/532938591.db2.gz MGIRITNJNCPOOB-UHFFFAOYSA-N 1 0 391.313 2.174 20 30 GEEDRO C=CCCCCC[N@@H+](C)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735408540 598851997 /nfs/dbraw/zinc/85/19/97/598851997.db2.gz NMJVNGDLAATXRM-UHFFFAOYSA-N 1 0 397.483 2.267 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)CC1 ZINC000735397749 598361116 /nfs/dbraw/zinc/36/11/16/598361116.db2.gz DCQXVJKFOLGPTN-LJQANCHMSA-N 1 0 398.511 2.427 20 30 GEEDRO N#Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(F)c1 ZINC000822825774 607479381 /nfs/dbraw/zinc/47/93/81/607479381.db2.gz OKRJEBUGBMXFMH-UHFFFAOYSA-N 1 0 378.415 2.031 20 30 GEEDRO COc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C#N ZINC000826195404 607483283 /nfs/dbraw/zinc/48/32/83/607483283.db2.gz SBMMELUWPZOXFH-UHFFFAOYSA-N 1 0 389.463 2.065 20 30 GEEDRO CCOCC[C@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681092 649951644 /nfs/dbraw/zinc/95/16/44/649951644.db2.gz SJRPGOOXJYXQOH-ZWKOTPCHSA-N 1 0 396.329 2.419 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420946 606299296 /nfs/dbraw/zinc/29/92/96/606299296.db2.gz YMFLUUHIIZPFIL-IAQYHMDHSA-N 1 0 379.449 2.256 20 30 GEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450027215 650058614 /nfs/dbraw/zinc/05/86/14/650058614.db2.gz KSTZNNBIJYHDSO-CYBMUJFWSA-N 1 0 394.313 2.486 20 30 GEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1cccc(Br)c1C#N ZINC000449930954 650056194 /nfs/dbraw/zinc/05/61/94/650056194.db2.gz NPWXLRUNTNTKDS-SWLSCSKDSA-N 1 0 380.286 2.498 20 30 GEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449993990 650057759 /nfs/dbraw/zinc/05/77/59/650057759.db2.gz FQYVMHGJGKSCAY-ZDUSSCGKSA-N 1 0 380.286 2.500 20 30 GEEDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C[N@@H+]1C1CC1 ZINC000450074301 650059657 /nfs/dbraw/zinc/05/96/57/650059657.db2.gz KXBKXQMTEBBTAP-VXGBXAGGSA-N 1 0 378.270 2.441 20 30 GEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000450893912 650074387 /nfs/dbraw/zinc/07/43/87/650074387.db2.gz SSXZPNRIWWHHRU-CYBMUJFWSA-N 1 0 377.286 2.111 20 30 GEEDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174293 650093220 /nfs/dbraw/zinc/09/32/20/650093220.db2.gz WITGPDVHZDGKGJ-JTQLQIEISA-N 1 0 392.294 2.468 20 30 GEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451453695 650116099 /nfs/dbraw/zinc/11/60/99/650116099.db2.gz OJTXHGUBDSQDPZ-UHFFFAOYSA-N 1 0 392.294 2.422 20 30 GEEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451496051 650120624 /nfs/dbraw/zinc/12/06/24/650120624.db2.gz LQGHDQQSKYWXNN-SNVBAGLBSA-N 1 0 392.294 2.468 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000530934179 650731471 /nfs/dbraw/zinc/73/14/71/650731471.db2.gz RQJHDLKARDRIII-UHFFFAOYSA-N 1 0 389.253 2.421 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000068125401 642988101 /nfs/dbraw/zinc/98/81/01/642988101.db2.gz MQDGNMKPEGAERB-UHFFFAOYSA-N 1 0 379.254 2.139 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[N@H+](C)CC1 ZINC000097262415 643096023 /nfs/dbraw/zinc/09/60/23/643096023.db2.gz LNTOJACNVUAKSF-UHFFFAOYSA-N 1 0 396.285 2.262 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916579 643118337 /nfs/dbraw/zinc/11/83/37/643118337.db2.gz OSPNWIYPSPZOCW-CYBMUJFWSA-N 1 0 392.297 2.238 20 30 GEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000121468311 643632810 /nfs/dbraw/zinc/63/28/10/643632810.db2.gz LHFZWUBPIXUESS-ZDUSSCGKSA-N 1 0 399.285 2.391 20 30 GEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000130771917 643850038 /nfs/dbraw/zinc/85/00/38/643850038.db2.gz ASWIJDJOFNKDDY-ZIAGYGMSSA-N 1 0 375.560 2.002 20 30 GEEDRO [NH2+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N1CCSCC1 ZINC000170914689 644296836 /nfs/dbraw/zinc/29/68/36/644296836.db2.gz BNGYZPQCKAYKDG-UHFFFAOYSA-N 1 0 381.303 2.098 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194700670 645343308 /nfs/dbraw/zinc/34/33/08/645343308.db2.gz NXGBZWPPQBMTQE-ZDUSSCGKSA-N 1 0 396.285 2.309 20 30 GEEDRO C[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000248973762 645544898 /nfs/dbraw/zinc/54/48/98/645544898.db2.gz DOSKWOSYWGJFIV-JKSUJKDBSA-N 1 0 378.567 2.284 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N(C)Cc1ccon1 ZINC000261702043 645594608 /nfs/dbraw/zinc/59/46/08/645594608.db2.gz GHCZYRJTKFVLDJ-UHFFFAOYSA-N 1 0 381.230 2.373 20 30 GEEDRO C[NH+]=C(NCCn1cccc1)NCc1cc2c(c(Br)c1)OCO2 ZINC000261827928 645603643 /nfs/dbraw/zinc/60/36/43/645603643.db2.gz VEEGKJJOKIUHEN-UHFFFAOYSA-N 1 0 379.258 2.345 20 30 GEEDRO C[NH+]=C(NCc1cccc(Br)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261962413 645614783 /nfs/dbraw/zinc/61/47/83/645614783.db2.gz KQBJZQKIQUFFCR-UHFFFAOYSA-N 1 0 388.331 2.034 20 30 GEEDRO CC[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CCSC(C)(C)C1 ZINC000262033332 645615557 /nfs/dbraw/zinc/61/55/57/645615557.db2.gz XJODRUQYTRQDSX-UHFFFAOYSA-N 1 0 384.571 2.351 20 30 GEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)s1 ZINC000262347278 645628345 /nfs/dbraw/zinc/62/83/45/645628345.db2.gz DLNBLPGUTMTMIS-UHFFFAOYSA-N 1 0 381.479 2.240 20 30 GEEDRO C[C@@H]1CCCN(C(NCCc2cccs2)=[NH+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000262376341 645629110 /nfs/dbraw/zinc/62/91/10/645629110.db2.gz JOQHXNHXOJQEDO-HZPDHXFCSA-N 1 0 383.583 2.403 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000262498572 645633568 /nfs/dbraw/zinc/63/35/68/645633568.db2.gz XITBKVGVORSLCQ-UONOGXRCSA-N 1 0 381.318 2.311 20 30 GEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262774630 645645139 /nfs/dbraw/zinc/64/51/39/645645139.db2.gz IXIFPMAWVBDKEN-CQSZACIVSA-N 1 0 395.345 2.498 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262787881 645645365 /nfs/dbraw/zinc/64/53/65/645645365.db2.gz MOPZKGSOARPWHB-KBPBESRZSA-N 1 0 381.318 2.372 20 30 GEEDRO [NH2+]=C(NCc1c(Br)cncc1Br)N1CCSCC1 ZINC000263135070 645654146 /nfs/dbraw/zinc/65/41/46/645654146.db2.gz NOWDQEKBLQTWTB-UHFFFAOYSA-N 1 0 394.136 2.470 20 30 GEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271717712 646224355 /nfs/dbraw/zinc/22/43/55/646224355.db2.gz CMYBQNHDYRYRGA-LFPIHBKWSA-N 1 0 376.503 2.420 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277248563 646393648 /nfs/dbraw/zinc/39/36/48/646393648.db2.gz DMWICWBOLBQOSA-INIZCTEOSA-N 1 0 393.325 2.062 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000278611810 646530448 /nfs/dbraw/zinc/53/04/48/646530448.db2.gz BPSYBBWBIKRMLZ-BBRMVZONSA-N 1 0 398.326 2.426 20 30 GEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281253691 646756279 /nfs/dbraw/zinc/75/62/79/646756279.db2.gz XLJYKGFLRCTKQB-NSHDSACASA-N 1 0 377.304 2.340 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000297823359 647264717 /nfs/dbraw/zinc/26/47/17/647264717.db2.gz LSNBHLNQZLGNIQ-SFHVURJKSA-N 1 0 381.929 2.470 20 30 GEEDRO [NH2+]=C(NCCCc1cccc(Br)c1)NCCCN1CCOCC1 ZINC000304749682 647279380 /nfs/dbraw/zinc/27/93/80/647279380.db2.gz HXMKFDJGTFJSPV-UHFFFAOYSA-N 1 0 383.334 2.008 20 30 GEEDRO [NH2+]=C(NCCCN1CCOCC1)NCC1(c2ccccc2Br)CC1 ZINC000304600828 647279458 /nfs/dbraw/zinc/27/94/58/647279458.db2.gz ZAFKNKAVCKMRAF-UHFFFAOYSA-N 1 0 395.345 2.107 20 30 GEEDRO C#CCOc1ccc(Br)cc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000321727714 647293524 /nfs/dbraw/zinc/29/35/24/647293524.db2.gz ZGEHCBLSHPSEFG-DLBZAZTESA-N 1 0 379.298 2.414 20 30 GEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330384869 647333736 /nfs/dbraw/zinc/33/37/36/647333736.db2.gz KWKRBPQWNHOGBD-INMHGKMJSA-N 1 0 384.571 2.447 20 30 GEEDRO CN(C)c1ncc(Br)cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000330832048 647354853 /nfs/dbraw/zinc/35/48/53/647354853.db2.gz HEZSEXLBKSIALU-ZDUSSCGKSA-N 1 0 385.306 2.062 20 30 GEEDRO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)cn1 ZINC000331032920 647363717 /nfs/dbraw/zinc/36/37/17/647363717.db2.gz WDZVXPDDYGZDEP-LBPRGKRZSA-N 1 0 385.306 2.113 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000361694611 647562731 /nfs/dbraw/zinc/56/27/31/647562731.db2.gz ATSPZVXHCSYVLG-OWCLPIDISA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000408395025 647951841 /nfs/dbraw/zinc/95/18/41/647951841.db2.gz LXATWANXXCYHOQ-GJZGRUSLSA-N 1 0 384.299 2.226 20 30 GEEDRO CCN(CCC#N)S(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000409541886 647967885 /nfs/dbraw/zinc/96/78/85/647967885.db2.gz ZQMHXBLKWMJPGS-UHFFFAOYSA-N 1 0 384.933 2.328 20 30 GEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000411673705 648030576 /nfs/dbraw/zinc/03/05/76/648030576.db2.gz OHFHWDQHTLOCDR-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415422287 648104831 /nfs/dbraw/zinc/10/48/31/648104831.db2.gz DMIYRZJXQLVBQZ-HNNXBMFYSA-N 1 0 393.285 2.283 20 30 GEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419635926 648359063 /nfs/dbraw/zinc/35/90/63/648359063.db2.gz DOVWNPBLESZUEY-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419737241 648373373 /nfs/dbraw/zinc/37/33/73/648373373.db2.gz UJWZREMSXMMARL-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420030638 648397371 /nfs/dbraw/zinc/39/73/71/648397371.db2.gz GOYHGDIZERTVLD-WCQYABFASA-N 1 0 385.917 2.145 20 30 GEEDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C[NH3+] ZINC000422557042 648559014 /nfs/dbraw/zinc/55/90/14/648559014.db2.gz VHUKBRMQTLBKMO-MDZLAQPJSA-N 1 0 386.315 2.315 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000424088308 648611735 /nfs/dbraw/zinc/61/17/35/648611735.db2.gz GTMDYJIIENQERF-OAHLLOKOSA-N 1 0 383.279 2.299 20 30 GEEDRO COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Br)cc1 ZINC000424088469 648611837 /nfs/dbraw/zinc/61/18/37/648611837.db2.gz JGOZJPHUBZVRCP-UONOGXRCSA-N 1 0 382.258 2.191 20 30 GEEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425509152 648682328 /nfs/dbraw/zinc/68/23/28/648682328.db2.gz KIMAUWLRPXGJDF-UHOFOFEASA-N 1 0 395.297 2.328 20 30 GEEDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000554585097 651207635 /nfs/dbraw/zinc/20/76/35/651207635.db2.gz YHEXIQNCTXSFFD-UHFFFAOYSA-N 1 0 393.285 2.107 20 30 GEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000554726316 651211687 /nfs/dbraw/zinc/21/16/87/651211687.db2.gz HYAUUYLNUUCFSH-OAHLLOKOSA-N 1 0 387.933 2.265 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000555134611 651219042 /nfs/dbraw/zinc/21/90/42/651219042.db2.gz VBECZEYWPFFWFC-INIZCTEOSA-N 1 0 377.286 2.064 20 30 GEEDRO CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)c2c[nH+]ccc21 ZINC000555947797 651234186 /nfs/dbraw/zinc/23/41/86/651234186.db2.gz BMFPLWCUQVZJRR-UHFFFAOYSA-N 1 0 393.266 2.361 20 30 GEEDRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000556914070 651257079 /nfs/dbraw/zinc/25/70/79/651257079.db2.gz YHJDFHNSYADTRZ-CHWSQXEVSA-N 1 0 386.315 2.318 20 30 GEEDRO CC1CC[NH+](CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000559640748 651299904 /nfs/dbraw/zinc/29/99/04/651299904.db2.gz ZSUFEZTVQOPUGO-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO COCC[NH+](CCOC)C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603378647 651486898 /nfs/dbraw/zinc/48/68/98/651486898.db2.gz SPQNRPHWUJEHIU-UHFFFAOYSA-N 1 0 397.317 2.279 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000730143570 651591140 /nfs/dbraw/zinc/59/11/40/651591140.db2.gz URVRVMWDWAAKKD-AWEZNQCLSA-N 1 0 382.917 2.359 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000565294508 651591588 /nfs/dbraw/zinc/59/15/88/651591588.db2.gz FUTUHXZKHJMWKH-SJORKVTESA-N 1 0 383.901 2.119 20 30 GEEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000569058330 651697041 /nfs/dbraw/zinc/69/70/41/651697041.db2.gz PRWXRSFPUUIOHV-UHFFFAOYSA-N 1 0 375.416 2.433 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000570267418 651756554 /nfs/dbraw/zinc/75/65/54/651756554.db2.gz HXXQBPTULRKZBO-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO C#CCNC(=O)CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000735309171 651776434 /nfs/dbraw/zinc/77/64/34/651776434.db2.gz HWWVIKATIATMCF-HYXAFXHYSA-N 1 0 390.325 2.219 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1Cl ZINC000738365952 651893282 /nfs/dbraw/zinc/89/32/82/651893282.db2.gz NPKIXAFXRYRNGA-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(I)ccc2O)CC1 ZINC000743493104 652021419 /nfs/dbraw/zinc/02/14/19/652021419.db2.gz HPDFGAJAHXLSGY-UHFFFAOYSA-N 1 0 398.244 2.214 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000576388282 652112503 /nfs/dbraw/zinc/11/25/03/652112503.db2.gz LBJKRGKZNHHZGG-HIFRSBDPSA-N 1 0 375.416 2.385 20 30 GEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000576457308 652119285 /nfs/dbraw/zinc/11/92/85/652119285.db2.gz FVPZMXCYYDUTBA-QAPCUYQASA-N 1 0 395.345 2.071 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000623381673 652233568 /nfs/dbraw/zinc/23/35/68/652233568.db2.gz AMIJWUGDPBGANN-AWEZNQCLSA-N 1 0 388.917 2.427 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658429879 652271009 /nfs/dbraw/zinc/27/10/09/652271009.db2.gz ZCCBIEDZPPRZMJ-LBPRGKRZSA-N 1 0 398.301 2.409 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1C(F)(F)F ZINC000624392324 652289518 /nfs/dbraw/zinc/28/95/18/652289518.db2.gz OVRSTPNYBDFKQO-RNFRBKRXSA-N 1 0 394.312 2.391 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580174974 652369011 /nfs/dbraw/zinc/36/90/11/652369011.db2.gz YTPCGGNFPJAWKB-CJNGLKHVSA-N 1 0 383.901 2.119 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000581101118 652401756 /nfs/dbraw/zinc/40/17/56/652401756.db2.gz UNDSNUBISLTPDB-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Cl ZINC000581717092 652423153 /nfs/dbraw/zinc/42/31/53/652423153.db2.gz UCTZGKIJBFYTPG-RHSMWYFYSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CC[C@]1(C(=O)NC[C@H](O)COc2ccccc2Br)CCC[NH2+]1 ZINC000662639837 652470051 /nfs/dbraw/zinc/47/00/51/652470051.db2.gz LSMSIWWHCNGNBO-SUMWQHHRSA-N 1 0 383.286 2.003 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554349 652500662 /nfs/dbraw/zinc/50/06/62/652500662.db2.gz YVLCWEKCDQATHO-RYUDHWBXSA-N 1 0 399.310 2.270 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266404 652599764 /nfs/dbraw/zinc/59/97/64/652599764.db2.gz WXUCCYZMAWMCRB-ZDUSSCGKSA-N 1 0 396.285 2.211 20 30 GEEDRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1CC[NH3+] ZINC000593738212 652634325 /nfs/dbraw/zinc/63/43/25/652634325.db2.gz XLRBGDCVBRDBCP-SMDDNHRTSA-N 1 0 386.315 2.459 20 30 GEEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961352 652698255 /nfs/dbraw/zinc/69/82/55/652698255.db2.gz XRAYFCQHAREDLQ-MRXNPFEDSA-N 1 0 376.503 2.228 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000595119349 652705997 /nfs/dbraw/zinc/70/59/97/652705997.db2.gz HETDOROJOMPLDN-GFCCVEGCSA-N 1 0 384.299 2.274 20 30 GEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000596050104 652751982 /nfs/dbraw/zinc/75/19/82/652751982.db2.gz IMTBFBUKTQEUHU-SNVBAGLBSA-N 1 0 375.294 2.087 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)cc(C)c2C)c1C#N ZINC000598650409 652826072 /nfs/dbraw/zinc/82/60/72/652826072.db2.gz QBFJSQYVLHKQNR-UHFFFAOYSA-N 1 0 390.285 3.065 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000599102185 652849672 /nfs/dbraw/zinc/84/96/72/652849672.db2.gz OZCIIUOUQNKIGM-JQWIXIFHSA-N 1 0 381.807 2.359 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357059 652863651 /nfs/dbraw/zinc/86/36/51/652863651.db2.gz KWABOAWMPPSWEL-HZPDHXFCSA-N 1 0 383.286 2.143 20 30 GEEDRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000599415832 652869638 /nfs/dbraw/zinc/86/96/38/652869638.db2.gz RVPNEEGOIVKEPO-IRXDYDNUSA-N 1 0 397.313 2.318 20 30 GEEDRO C[NH+](C)CCn1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cn1 ZINC000600988676 652947425 /nfs/dbraw/zinc/94/74/25/652947425.db2.gz UZIWSYQDCSKIMQ-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO Cc1ccc(Br)c2ncc(C#N)c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c12 ZINC000601184616 653082436 /nfs/dbraw/zinc/08/24/36/653082436.db2.gz MTAUHBPBHWXOQS-CQSZACIVSA-N 1 0 387.281 2.433 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196485 653103930 /nfs/dbraw/zinc/10/39/30/653103930.db2.gz XNSNNBNJCHDWMY-GOSISDBHSA-N 1 0 394.313 2.182 20 30 GEEDRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000601577995 653111776 /nfs/dbraw/zinc/11/17/76/653111776.db2.gz VSGZHIKCWHZFCM-ZDUSSCGKSA-N 1 0 393.285 2.154 20 30 GEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000775397498 653312684 /nfs/dbraw/zinc/31/26/84/653312684.db2.gz VFSLVDGORUDNKW-CYBMUJFWSA-N 1 0 382.277 2.016 20 30 GEEDRO C#C[C@H](NC(=O)NCCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000836346022 653346197 /nfs/dbraw/zinc/34/61/97/653346197.db2.gz QYWAEKWONJGQSA-INIZCTEOSA-N 1 0 382.302 2.391 20 30 GEEDRO C#CCON=C1c2cc(Br)ccc2N(CC[NH+](CC)CC)C1=O ZINC000812233181 653418772 /nfs/dbraw/zinc/41/87/72/653418772.db2.gz OEOVPFSCWXCBSJ-UHFFFAOYSA-N 1 0 378.270 2.491 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)nc1C ZINC000876574650 653436635 /nfs/dbraw/zinc/43/66/35/653436635.db2.gz HWLUCKWHFACAGM-NXEZZACHSA-N 1 0 378.527 2.497 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608492 653437521 /nfs/dbraw/zinc/43/75/21/653437521.db2.gz BEDQTDMZUWMXCY-JSGCOSHPSA-N 1 0 380.794 2.373 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000876609386 653437584 /nfs/dbraw/zinc/43/75/84/653437584.db2.gz LZTIXOOPIMIVPZ-DGCLKSJQSA-N 1 0 380.794 2.373 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629188 653438696 /nfs/dbraw/zinc/43/86/96/653438696.db2.gz DBNMSWRSYLENOY-VXGBXAGGSA-N 1 0 375.650 2.249 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635353 653439462 /nfs/dbraw/zinc/43/94/62/653439462.db2.gz VNDLLUFNRBKVLB-ZDUSSCGKSA-N 1 0 388.693 2.155 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000876784225 653448005 /nfs/dbraw/zinc/44/80/05/653448005.db2.gz BDNLYUXWAZXBRL-ZFWWWQNUSA-N 1 0 386.949 2.355 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031389 653461963 /nfs/dbraw/zinc/46/19/63/653461963.db2.gz VUBVQIVZMSLKRX-OLZOCXBDSA-N 1 0 386.677 2.141 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031386 653462049 /nfs/dbraw/zinc/46/20/49/653462049.db2.gz VUBVQIVZMSLKRX-CHWSQXEVSA-N 1 0 386.677 2.141 20 30 GEEDRO Cc1cc2c(c(Br)c1)OCC2=NNC(=S)NCCC[NH+](C)C ZINC000814845628 653640346 /nfs/dbraw/zinc/64/03/46/653640346.db2.gz PYQOCOBCXOYDQS-UHFFFAOYSA-N 1 0 385.331 2.270 20 30 GEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000815120078 653652838 /nfs/dbraw/zinc/65/28/38/653652838.db2.gz NYZVMIAKXLQFRE-CRAIPNDOSA-N 1 0 379.298 2.334 20 30 GEEDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1N=CC=CC1=O ZINC000815126799 653653057 /nfs/dbraw/zinc/65/30/57/653653057.db2.gz RJJSTLOKCLAYJY-OYLHUBKDSA-N 1 0 390.281 2.422 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC[NH+]1CCC1 ZINC000861384664 653656294 /nfs/dbraw/zinc/65/62/94/653656294.db2.gz BHKMAAFLXQNOGD-UHFFFAOYSA-N 1 0 383.242 2.347 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000815861579 653667004 /nfs/dbraw/zinc/66/70/04/653667004.db2.gz ORJXKACNTQNFIC-UHFFFAOYSA-N 1 0 380.286 2.076 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)C2CC[NH+](C3CC3)CC2)c(=O)c1C#N ZINC000816411183 653684131 /nfs/dbraw/zinc/68/41/31/653684131.db2.gz VNDQKEYTUOWRTO-UHFFFAOYSA-N 1 0 393.285 2.044 20 30 GEEDRO C[NH+]1CCC(C/N=C/c2cc(Br)ccc2O)(N2CCOCC2)CC1 ZINC000840710655 653691720 /nfs/dbraw/zinc/69/17/20/653691720.db2.gz LITIWLHDHWRNNP-DEDYPNTBSA-N 1 0 396.329 2.370 20 30 GEEDRO C/C=C\CN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000863064588 653701864 /nfs/dbraw/zinc/70/18/64/653701864.db2.gz XUKUZFROUHTTSH-JACALRHMSA-N 1 0 380.539 2.324 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000863317892 653706399 /nfs/dbraw/zinc/70/63/99/653706399.db2.gz QWZOWLIAMSSSPW-GFCCVEGCSA-N 1 0 375.947 2.021 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145839 653707703 /nfs/dbraw/zinc/70/77/03/653707703.db2.gz WJTYKTVNQUVPPA-RDDDGLTNSA-N 1 0 390.612 2.178 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241421 653712066 /nfs/dbraw/zinc/71/20/66/653712066.db2.gz NDUSTDQUPJJFJL-SVRRBLITSA-N 1 0 378.152 2.096 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251388 653712460 /nfs/dbraw/zinc/71/24/60/653712460.db2.gz UGCGXYGMYQOAIF-WRWORJQWSA-N 1 0 390.612 2.178 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000785580864 653712893 /nfs/dbraw/zinc/71/28/93/653712893.db2.gz QTFCLZAZCHZNPW-UHFFFAOYSA-N 1 0 394.313 2.314 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000818595636 653734360 /nfs/dbraw/zinc/73/43/60/653734360.db2.gz GQSJYPDXHBVLON-CQSZACIVSA-N 1 0 382.291 2.418 20 30 GEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000818975853 653739736 /nfs/dbraw/zinc/73/97/36/653739736.db2.gz MVDNLJPMXGRPJE-HNNXBMFYSA-N 1 0 391.269 2.157 20 30 GEEDRO C#C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000820611434 653778097 /nfs/dbraw/zinc/77/80/97/653778097.db2.gz KTPZFQUPURRYOS-IRXDYDNUSA-N 1 0 394.313 2.269 20 30 GEEDRO C#C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000820616218 653778473 /nfs/dbraw/zinc/77/84/73/653778473.db2.gz GVIOAAQTMZUJQO-INIZCTEOSA-N 1 0 394.313 2.222 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882483501 653784388 /nfs/dbraw/zinc/78/43/88/653784388.db2.gz BYJVVWDZZNASMN-CYBMUJFWSA-N 1 0 396.285 2.309 20 30 GEEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1[NH+](C)C ZINC000883099201 653826767 /nfs/dbraw/zinc/82/67/67/653826767.db2.gz MOYPVAPHTFFWTH-NWDGAFQWSA-N 1 0 384.303 2.225 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000866809480 653830351 /nfs/dbraw/zinc/83/03/51/653830351.db2.gz JANYFNBVUMEULI-LMKPVCQUSA-N 1 0 384.299 2.130 20 30 GEEDRO Cn1cc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c(I)n1 ZINC000895466197 653836481 /nfs/dbraw/zinc/83/64/81/653836481.db2.gz GKGDIQJFXPPTAD-AWEZNQCLSA-N 1 0 378.217 2.153 20 30 GEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335667 653873120 /nfs/dbraw/zinc/87/31/20/653873120.db2.gz ZPXNPCOURYIJDE-OMXMSBTASA-N 1 0 394.244 2.277 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793840420 653886323 /nfs/dbraw/zinc/88/63/23/653886323.db2.gz IETOWUMQHYYJNX-MRXNPFEDSA-N 1 0 394.313 2.040 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867298269 653910960 /nfs/dbraw/zinc/91/09/60/653910960.db2.gz VSSRUCOFRDKWHG-UKRRQHHQSA-N 1 0 381.929 2.469 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000885117457 653913143 /nfs/dbraw/zinc/91/31/43/653913143.db2.gz ZPUMJNRJRZIUDX-MSOLQXFVSA-N 1 0 379.551 2.343 20 30 GEEDRO C=C(Br)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000794779729 653920339 /nfs/dbraw/zinc/92/03/39/653920339.db2.gz LZPHMOQSJZPHDX-UHFFFAOYSA-N 1 0 378.270 2.482 20 30 GEEDRO C#C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000848157269 653961546 /nfs/dbraw/zinc/96/15/46/653961546.db2.gz FKOJWOQNKNBZGW-OAHLLOKOSA-N 1 0 375.270 2.312 20 30 GEEDRO C#CCSCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000885896426 653962727 /nfs/dbraw/zinc/96/27/27/653962727.db2.gz DXZPJZBXCBLKKP-UHFFFAOYSA-N 1 0 378.519 2.084 20 30 GEEDRO C#CCN(C(=O)c1cc(Br)c(C)nc1OC)C1CC[NH+](C)CC1 ZINC000886577508 653992550 /nfs/dbraw/zinc/99/25/50/653992550.db2.gz KZFOZYAARUZZAL-UHFFFAOYSA-N 1 0 380.286 2.331 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000828033830 654018603 /nfs/dbraw/zinc/01/86/03/654018603.db2.gz RXAGHYIGPQWILS-CQSZACIVSA-N 1 0 377.282 2.214 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000798969103 654081862 /nfs/dbraw/zinc/08/18/62/654081862.db2.gz RHGAYDLDOIDGRL-UHFFFAOYSA-N 1 0 376.298 2.480 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000830163056 654102675 /nfs/dbraw/zinc/10/26/75/654102675.db2.gz UEPCWEGQCYUZOS-CQSZACIVSA-N 1 0 390.281 2.089 20 30 GEEDRO N#Cc1nc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1Br ZINC000902904464 654202639 /nfs/dbraw/zinc/20/26/39/654202639.db2.gz KQPUYIOQXXDPTA-YPMHNXCESA-N 1 0 396.314 2.417 20 30 GEEDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000852061888 654215852 /nfs/dbraw/zinc/21/58/52/654215852.db2.gz SYWZRAOOPLLYTG-AWEZNQCLSA-N 1 0 388.430 2.030 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000903498530 654241893 /nfs/dbraw/zinc/24/18/93/654241893.db2.gz AMXYNPZLRKUJRY-OLZOCXBDSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000903510964 654243964 /nfs/dbraw/zinc/24/39/64/654243964.db2.gz LVGFXORGKWLMSO-GFCCVEGCSA-N 1 0 384.299 2.274 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC000832226034 654248531 /nfs/dbraw/zinc/24/85/31/654248531.db2.gz SEAANXICPSQAFF-KGLIPLIRSA-N 1 0 378.270 2.110 20 30 GEEDRO C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000852818138 654261425 /nfs/dbraw/zinc/26/14/25/654261425.db2.gz QTQONOUOCWOTIG-LBPRGKRZSA-N 1 0 393.281 2.401 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581257 654261802 /nfs/dbraw/zinc/26/18/02/654261802.db2.gz CVNREFQGFXUXJL-HUUCEWRRSA-N 1 0 375.416 2.216 20 30 GEEDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1C(F)(F)F ZINC000871813455 654263601 /nfs/dbraw/zinc/26/36/01/654263601.db2.gz IQWHPIJJRUUASB-RFZPGFLSSA-N 1 0 398.275 2.140 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000852892779 654265672 /nfs/dbraw/zinc/26/56/72/654265672.db2.gz ALLADFYWUGMROX-UHFFFAOYSA-N 1 0 390.325 2.096 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000803540040 654283321 /nfs/dbraw/zinc/28/33/21/654283321.db2.gz QVGRTYMHBXAVRW-MRXNPFEDSA-N 1 0 394.313 2.273 20 30 GEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cc(C#N)ccc1Br ZINC000921649181 654298692 /nfs/dbraw/zinc/29/86/92/654298692.db2.gz CWWYCUYKKUNWBK-QGZVFWFLSA-N 1 0 393.329 2.353 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCC[C@@]([NH3+])(CO)C2)cc1OC ZINC000904401812 654309328 /nfs/dbraw/zinc/30/93/28/654309328.db2.gz SLJMLRRKQSHPQH-KRWDZBQOSA-N 1 0 385.302 2.308 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246075 654319387 /nfs/dbraw/zinc/31/93/87/654319387.db2.gz ADUJDTKKALXBFJ-QGZVFWFLSA-N 1 0 378.881 2.179 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505763 654330825 /nfs/dbraw/zinc/33/08/25/654330825.db2.gz NQJHZAABAWUKEX-WCBMZHEXSA-N 1 0 378.148 2.189 20 30 GEEDRO C[C@](O)(C[NH2+]CCNc1nccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905135871 654333658 /nfs/dbraw/zinc/33/36/58/654333658.db2.gz QIUVYVXCUPECMX-VIFPVBQESA-N 1 0 382.255 2.446 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000922025390 654356998 /nfs/dbraw/zinc/35/69/98/654356998.db2.gz ZOOJRMNLEXMELC-UHFFFAOYSA-N 1 0 389.290 2.306 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905855232 654385447 /nfs/dbraw/zinc/38/54/47/654385447.db2.gz JKLHSHSPOKWNSA-ZWNOBZJWSA-N 1 0 382.258 2.263 20 30 GEEDRO N#CCCN1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000872734650 654393884 /nfs/dbraw/zinc/39/38/84/654393884.db2.gz QYRSBLJNWOKXCF-UHFFFAOYSA-N 1 0 375.270 2.253 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000922996499 654423500 /nfs/dbraw/zinc/42/35/00/654423500.db2.gz NGJBQTKABNSRFT-CQSZACIVSA-N 1 0 375.270 2.237 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000873733920 654456189 /nfs/dbraw/zinc/45/61/89/654456189.db2.gz DZUWFNXPCVBBRY-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000923935216 654489895 /nfs/dbraw/zinc/48/98/95/654489895.db2.gz BOBVXCBGJSIPJF-RCCFBDPRSA-N 1 0 388.309 2.484 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979813 654495447 /nfs/dbraw/zinc/49/54/47/654495447.db2.gz CBZBQDVDDPVXCV-ABAIWWIYSA-N 1 0 386.315 2.281 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(Br)cc(OC)c2)CC1 ZINC000926293199 654567252 /nfs/dbraw/zinc/56/72/52/654567252.db2.gz JVIJCPVKUNYCAA-UHFFFAOYSA-N 1 0 380.286 2.355 20 30 GEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000907854233 654583377 /nfs/dbraw/zinc/58/33/77/654583377.db2.gz VPNCHJITRALLOU-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000907855886 654583840 /nfs/dbraw/zinc/58/38/40/654583840.db2.gz OCNHOWZGUJMYKC-UHFFFAOYSA-N 1 0 384.299 2.180 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Br ZINC000927932969 654622350 /nfs/dbraw/zinc/62/23/50/654622350.db2.gz WZZPMAQRHNPPSI-QGZVFWFLSA-N 1 0 391.269 2.004 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928459205 654648425 /nfs/dbraw/zinc/64/84/25/654648425.db2.gz VICYMPSAIPSNJW-RISCZKNCSA-N 1 0 396.285 2.307 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2scc(C)c2I)CC1 ZINC000928652486 654654390 /nfs/dbraw/zinc/65/43/90/654654390.db2.gz AEYOXHMKJZBPBH-UHFFFAOYSA-N 1 0 388.274 2.489 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000928657832 654654616 /nfs/dbraw/zinc/65/46/16/654654616.db2.gz AVCCHKCCEFFFNC-UHFFFAOYSA-N 1 0 379.254 2.048 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929426964 654683563 /nfs/dbraw/zinc/68/35/63/654683563.db2.gz DBXXGIAARIMZIF-NVXWUHKLSA-N 1 0 388.277 2.479 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)nc1C ZINC000912213438 654746344 /nfs/dbraw/zinc/74/63/44/654746344.db2.gz BUUXMANFUHDBBU-QFYYESIMSA-N 1 0 376.511 2.123 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000932089056 654766505 /nfs/dbraw/zinc/76/65/05/654766505.db2.gz JKVWNTOXEHSGQC-UHFFFAOYSA-N 1 0 383.346 2.411 20 30 GEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)C1CC1 ZINC000933437566 654813212 /nfs/dbraw/zinc/81/32/12/654813212.db2.gz PFUNFMDVFDEBPR-ROUUACIJSA-N 1 0 394.313 2.141 20 30 GEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934498875 654851478 /nfs/dbraw/zinc/85/14/78/654851478.db2.gz HGQUXBAURGZGTB-IRXDYDNUSA-N 1 0 382.302 2.301 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)cc3C#N)CC2)CC1 ZINC001164613807 719023804 /nfs/dbraw/zinc/02/38/04/719023804.db2.gz FNGVMASMWPVCKH-UHFFFAOYSA-N 1 0 377.876 2.246 20 30 GEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)c(C#N)cc3F)CC2)CC1 ZINC001164617508 719030517 /nfs/dbraw/zinc/03/05/17/719030517.db2.gz MZCQEKWATIGKAM-UHFFFAOYSA-N 1 0 390.459 2.345 20 30 GEEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(C#N)n1)CC2 ZINC001164711149 720102715 /nfs/dbraw/zinc/10/27/15/720102715.db2.gz OTPQUKOPLTUKNS-LJQANCHMSA-N 1 0 378.480 2.251 20 30 GEEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164710416 720133851 /nfs/dbraw/zinc/13/38/51/720133851.db2.gz BDZAPEMQDSPCEJ-FQEVSTJZSA-N 1 0 392.507 2.445 20 30 GEEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)CCC1 ZINC001164736713 720696438 /nfs/dbraw/zinc/69/64/38/720696438.db2.gz APPFHXOUZHHNPO-QZTJIDSGSA-N 1 0 376.464 2.159 20 30 GEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747685 720834875 /nfs/dbraw/zinc/83/48/75/720834875.db2.gz RHOUWOINZLDBNZ-GPMSIDNRSA-N 1 0 381.459 2.063 20 30 GEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748651 720854539 /nfs/dbraw/zinc/85/45/39/720854539.db2.gz LGZKLNFJVZSSAH-HSALFYBXSA-N 1 0 377.496 2.233 20 30 GEEDRO CCc1nc(C#N)c(C#N)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864237 721017928 /nfs/dbraw/zinc/01/79/28/721017928.db2.gz WSJNJJLASGJZGN-AWEZNQCLSA-N 1 0 378.484 2.400 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888751 721428300 /nfs/dbraw/zinc/42/83/00/721428300.db2.gz AQJDRGHEUQKSHT-PGRDOPGGSA-N 1 0 394.523 2.200 20 30 GEEDRO COc1cc(C#N)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164798563 721558461 /nfs/dbraw/zinc/55/84/61/721558461.db2.gz BLCPYPQAWOCBRU-IRFCIJBXSA-N 1 0 379.464 2.225 20 30 GEEDRO COC(=O)c1cc(C#N)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909227 721563888 /nfs/dbraw/zinc/56/38/88/721563888.db2.gz TUWHTAIBYFEVHQ-SJLPKXTDSA-N 1 0 396.422 2.221 20 30 GEEDRO N#Cc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981756 722106606 /nfs/dbraw/zinc/10/66/06/722106606.db2.gz MFPUMOHTQGPUTM-RDJZCZTQSA-N 1 0 384.871 2.124 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154854648 531637415 /nfs/dbraw/zinc/63/74/15/531637415.db2.gz ZJXOCUVENUGDDA-UHFFFAOYSA-N 1 0 394.313 2.336 20 30 GEEDRO C=CCC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165369894 531871341 /nfs/dbraw/zinc/87/13/41/531871341.db2.gz XHCOGXCACFOFDN-KRWDZBQOSA-N 1 0 396.329 2.332 20 30 GEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000120246337 531977814 /nfs/dbraw/zinc/97/78/14/531977814.db2.gz OPTOVDYOQYXONK-MRXNPFEDSA-N 1 0 377.286 2.064 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000173324181 532003962 /nfs/dbraw/zinc/00/39/62/532003962.db2.gz JUNKLCJIFFKIQE-CXAGYDPISA-N 1 0 376.507 2.376 20 30 GEEDRO C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000126905256 532151775 /nfs/dbraw/zinc/15/17/75/532151775.db2.gz UIOKTTKTLUECJG-BBRMVZONSA-N 1 0 379.302 2.108 20 30 GEEDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061567 532308430 /nfs/dbraw/zinc/30/84/30/532308430.db2.gz JMHXRFQQTJOCSY-UKRRQHHQSA-N 1 0 380.491 2.136 20 30 GEEDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294482652 532361951 /nfs/dbraw/zinc/36/19/51/532361951.db2.gz MUWSVRNBZVRGNS-UHFFFAOYSA-N 1 0 379.302 2.078 20 30 GEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000590666688 532381029 /nfs/dbraw/zinc/38/10/29/532381029.db2.gz MYTHSVZFMCAOFZ-CYBMUJFWSA-N 1 0 378.270 2.300 20 30 GEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)C1 ZINC000590669013 532381297 /nfs/dbraw/zinc/38/12/97/532381297.db2.gz QFBXDXOTTIFLHY-INIZCTEOSA-N 1 0 391.313 2.173 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886635 532387905 /nfs/dbraw/zinc/38/79/05/532387905.db2.gz SXSNQPUWMAGMBJ-ABAIWWIYSA-N 1 0 386.315 2.281 20 30 GEEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000294904327 532388973 /nfs/dbraw/zinc/38/89/73/532388973.db2.gz FSUKEFNYOWCWMP-NSHDSACASA-N 1 0 378.325 2.247 20 30 GEEDRO Cc1ccc2c(ncc(C#N)c2N2CCC(O)(C[NH3+])CC2)c1Br ZINC000591445372 532412532 /nfs/dbraw/zinc/41/25/32/532412532.db2.gz AWWSWKFMISHQIC-UHFFFAOYSA-N 1 0 375.270 2.467 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518348189 532440500 /nfs/dbraw/zinc/44/05/00/532440500.db2.gz CVZKDHOYYBVKGP-CQSZACIVSA-N 1 0 386.297 2.353 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000518843019 532447531 /nfs/dbraw/zinc/44/75/31/532447531.db2.gz QDFOINXITSDNBN-WMLDXEAASA-N 1 0 376.507 2.376 20 30 GEEDRO COc1cc(Br)cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1O ZINC000373464641 532450170 /nfs/dbraw/zinc/45/01/70/532450170.db2.gz GPFMTKUEZAKHDW-UHFFFAOYSA-N 1 0 392.257 2.464 20 30 GEEDRO N#Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)c(C(F)(F)F)c1 ZINC000562078822 532457705 /nfs/dbraw/zinc/45/77/05/532457705.db2.gz ZIIZFQJBWRFNCU-UHFFFAOYSA-N 1 0 393.456 2.045 20 30 GEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000562140494 532458067 /nfs/dbraw/zinc/45/80/67/532458067.db2.gz NKRFHXHDUXDDLH-NSHDSACASA-N 1 0 381.274 2.104 20 30 GEEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593453333 532482899 /nfs/dbraw/zinc/48/28/99/532482899.db2.gz VFHHWUDTYQYIND-MRXNPFEDSA-N 1 0 380.286 2.090 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000375265636 532546121 /nfs/dbraw/zinc/54/61/21/532546121.db2.gz LDGKBKXLYNVORO-UHFFFAOYSA-N 1 0 398.326 2.475 20 30 GEEDRO COc1cc(I)c(Cl)cc1CNC1=[NH+]C[C@H](C)N1 ZINC000262661854 532595752 /nfs/dbraw/zinc/59/57/52/532595752.db2.gz NDIGDKDAJDGIEZ-ZETCQYMHSA-N 1 0 379.629 2.391 20 30 GEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1ccc(Br)s1 ZINC000262437141 532594301 /nfs/dbraw/zinc/59/43/01/532594301.db2.gz UBPKHYZTAKLGHW-CYBMUJFWSA-N 1 0 378.361 2.386 20 30 GEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N(C)Cc1ccc(Br)s1 ZINC000262436428 532595125 /nfs/dbraw/zinc/59/51/25/532595125.db2.gz TXMCMICVRIZEKV-UHFFFAOYSA-N 1 0 385.287 2.410 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NCC1CCOCC1 ZINC000262688461 532597818 /nfs/dbraw/zinc/59/78/18/532597818.db2.gz BLAZMHXFNOYBQT-UHFFFAOYSA-N 1 0 398.301 2.312 20 30 GEEDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596906033 532609150 /nfs/dbraw/zinc/60/91/50/532609150.db2.gz YZICEVKWJFCCAW-UHFFFAOYSA-N 1 0 382.306 2.326 20 30 GEEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000567214401 532644822 /nfs/dbraw/zinc/64/48/22/532644822.db2.gz LOYLSBSNLDWFOH-INIZCTEOSA-N 1 0 378.318 2.320 20 30 GEEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600748469 532681053 /nfs/dbraw/zinc/68/10/53/532681053.db2.gz NMMHRSZABUXCKE-BBRMVZONSA-N 1 0 397.313 2.253 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000600744528 532681617 /nfs/dbraw/zinc/68/16/17/532681617.db2.gz CPTCOSXBLHWNPC-KGLIPLIRSA-N 1 0 385.277 2.384 20 30 GEEDRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000603641667 532696590 /nfs/dbraw/zinc/69/65/90/532696590.db2.gz LRGGWXBFGZDHJR-NSHDSACASA-N 1 0 384.249 2.460 20 30 GEEDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000579712183 532743027 /nfs/dbraw/zinc/74/30/27/532743027.db2.gz OORUNWZRPRUGTP-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000302055152 532765961 /nfs/dbraw/zinc/76/59/61/532765961.db2.gz AMSWDORGDXLEIN-INIZCTEOSA-N 1 0 377.286 2.239 20 30 GEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287698528 532806827 /nfs/dbraw/zinc/80/68/27/532806827.db2.gz KDQOTDRPFHTSTK-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709611 532807259 /nfs/dbraw/zinc/80/72/59/532807259.db2.gz GEZOUHFRWDESSC-WFASDCNBSA-N 1 0 398.326 2.426 20 30 GEEDRO CS[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000330666705 532824511 /nfs/dbraw/zinc/82/45/11/532824511.db2.gz WQRWMVJSLMSMEG-HZPDHXFCSA-N 1 0 378.567 2.475 20 30 GEEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414916871 532835926 /nfs/dbraw/zinc/83/59/26/532835926.db2.gz TZZLNTWQAQPKQQ-LLVKDONJSA-N 1 0 376.511 2.679 20 30 GEEDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331179643 532835231 /nfs/dbraw/zinc/83/52/31/532835231.db2.gz GQVIPUJDAUGSPY-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428371 532839239 /nfs/dbraw/zinc/83/92/39/532839239.db2.gz BUELBIQAGSMXBT-BONVTDFDSA-N 1 0 384.299 2.082 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288950316 532842996 /nfs/dbraw/zinc/84/29/96/532842996.db2.gz WXNPFWSHYGNVGU-TZMCWYRMSA-N 1 0 393.285 2.248 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000332085165 532848559 /nfs/dbraw/zinc/84/85/59/532848559.db2.gz QFUMHZREYMZSLR-HUUCEWRRSA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415847961 532860385 /nfs/dbraw/zinc/86/03/85/532860385.db2.gz XIIUSHJCQUPXSD-AAEUAGOBSA-N 1 0 396.285 2.196 20 30 GEEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416380996 532874233 /nfs/dbraw/zinc/87/42/33/532874233.db2.gz GCWGIAXXDIBSIE-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccnc1C#N ZINC000277007084 532905825 /nfs/dbraw/zinc/90/58/25/532905825.db2.gz KUCYAVQXXSVWTM-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000292386448 532915771 /nfs/dbraw/zinc/91/57/71/532915771.db2.gz KAQYDEIPLHYMGX-PXAZEXFGSA-N 1 0 377.491 2.081 20 30 GEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000293139334 532922785 /nfs/dbraw/zinc/92/27/85/532922785.db2.gz VILAGMXEVPPXNP-GJZGRUSLSA-N 1 0 391.269 2.002 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C[N@@H+]1C1CC1 ZINC000294052011 532935308 /nfs/dbraw/zinc/93/53/08/532935308.db2.gz JNSHDOYVTFTKDK-MFKMUULPSA-N 1 0 391.269 2.001 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000293977666 532934130 /nfs/dbraw/zinc/93/41/30/532934130.db2.gz MSBZSHOPLICYIA-UHFFFAOYSA-N 1 0 391.640 2.025 20 30 GEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1C#N ZINC000294436456 532939192 /nfs/dbraw/zinc/93/91/92/532939192.db2.gz ASQYNOHUPQZEAE-UHFFFAOYSA-N 1 0 379.302 2.030 20 30 GEEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000371732485 532949440 /nfs/dbraw/zinc/94/94/40/532949440.db2.gz ILVGZKBRBHTTQD-GOEBONIOSA-N 1 0 385.555 2.031 20 30 GEEDRO C#CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735381637 598837012 /nfs/dbraw/zinc/83/70/12/598837012.db2.gz XJZKUQYUDZQWSS-UHFFFAOYSA-N 1 0 389.463 2.032 20 30 GEEDRO N#Cc1nc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1Cl ZINC000737728681 598275643 /nfs/dbraw/zinc/27/56/43/598275643.db2.gz TYWPNPOQAXHWSR-UHFFFAOYSA-N 1 0 380.843 2.109 20 30 GEEDRO N#Cc1ccc2ncc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)n2c1 ZINC000737723086 599483305 /nfs/dbraw/zinc/48/33/05/599483305.db2.gz PBZAFGFYFALOEL-UHFFFAOYSA-N 1 0 390.476 2.409 20 30 GEEDRO Fc1ccc(C#CCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826373388 607516623 /nfs/dbraw/zinc/51/66/23/607516623.db2.gz KGXXNTYOYKSXQX-UHFFFAOYSA-N 1 0 376.439 2.175 20 30 GEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419796 606299436 /nfs/dbraw/zinc/29/94/36/606299436.db2.gz KKCTXYSDFCTCBS-IAQYHMDHSA-N 1 0 379.449 2.256 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(C#N)cs1 ZINC000821586114 606511354 /nfs/dbraw/zinc/51/13/54/606511354.db2.gz KHOMCAZSWBMKCI-UHFFFAOYSA-N 1 0 381.465 2.004 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743289 606602540 /nfs/dbraw/zinc/60/25/40/606602540.db2.gz GMPXNUZNZJWTCB-MSOLQXFVSA-N 1 0 383.500 2.437 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821586047 607114181 /nfs/dbraw/zinc/11/41/81/607114181.db2.gz HEOZJDKQFPTXMS-UHFFFAOYSA-N 1 0 392.423 2.215 20 30 GEEDRO COc1cc(-c2nn[nH]n2)ccc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000826172956 608323991 /nfs/dbraw/zinc/32/39/91/608323991.db2.gz GAPDOYYAOFGZLC-UHFFFAOYSA-N 1 0 394.435 2.263 20 30 GEEDRO C=CCOc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000823932378 608508008 /nfs/dbraw/zinc/50/80/08/608508008.db2.gz VZABYGZKSDYIPD-UHFFFAOYSA-N 1 0 377.452 2.149 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000446930300 649990689 /nfs/dbraw/zinc/99/06/89/649990689.db2.gz NLTFAFVBHPSBAB-COXVUDFISA-N 1 0 383.901 2.084 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449750445 650048969 /nfs/dbraw/zinc/04/89/69/650048969.db2.gz UNSBCIYBMXQOII-UONOGXRCSA-N 1 0 378.270 2.443 20 30 GEEDRO CS[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000450264875 650063165 /nfs/dbraw/zinc/06/31/65/650063165.db2.gz HGMQTOJJZKDNND-LSDHHAIUSA-N 1 0 398.326 2.204 20 30 GEEDRO COC(=O)CCN1CCN(C(=O)c2cccc(C#N)c2Br)[C@H](C)C1 ZINC000450407934 650064805 /nfs/dbraw/zinc/06/48/05/650064805.db2.gz UOUBMCWBFIOCFG-GFCCVEGCSA-N 1 0 394.269 2.030 20 30 GEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)[N@H+](C)C1CC1 ZINC000451163841 650091885 /nfs/dbraw/zinc/09/18/85/650091885.db2.gz HKTYRSOIQUBQGV-SECBINFHSA-N 1 0 390.278 2.221 20 30 GEEDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451425102 650113069 /nfs/dbraw/zinc/11/30/69/650113069.db2.gz FSLFIZQAUMGDIX-UHFFFAOYSA-N 1 0 378.267 2.078 20 30 GEEDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000510963449 650521890 /nfs/dbraw/zinc/52/18/90/650521890.db2.gz BTGBJRMMHOVHDG-AWEZNQCLSA-N 1 0 386.315 2.473 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000514719978 650577659 /nfs/dbraw/zinc/57/76/59/650577659.db2.gz VRRMTWIULCBGGE-LBPRGKRZSA-N 1 0 396.285 2.150 20 30 GEEDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000514937889 650583785 /nfs/dbraw/zinc/58/37/85/650583785.db2.gz RQJAUHSQKVPQEO-UHFFFAOYSA-N 1 0 386.315 2.331 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000047281172 642627089 /nfs/dbraw/zinc/62/70/89/642627089.db2.gz UOCGYPVDBZFITB-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C=C(Br)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000069118206 643020353 /nfs/dbraw/zinc/02/03/53/643020353.db2.gz WQSCYHZKBJAKFU-UHFFFAOYSA-N 1 0 395.345 2.402 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000069279111 643027468 /nfs/dbraw/zinc/02/74/68/643027468.db2.gz HESXDTQWKZWKTI-UHFFFAOYSA-N 1 0 380.286 2.288 20 30 GEEDRO COc1ccc(NC(=[NH2+])NC[C@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000104178639 643178713 /nfs/dbraw/zinc/17/87/13/643178713.db2.gz LPPISHVILUCJIQ-QGZVFWFLSA-N 1 0 384.933 2.283 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000106295232 643227240 /nfs/dbraw/zinc/22/72/40/643227240.db2.gz DHJRSENMMVDJSQ-UHFFFAOYSA-N 1 0 382.302 2.158 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CCCC#N ZINC000111332609 643333758 /nfs/dbraw/zinc/33/37/58/643333758.db2.gz OUEDLVQSURZZRE-UHFFFAOYSA-N 1 0 388.331 2.446 20 30 GEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCN(C)S(=O)(=O)c1cccs1 ZINC000151405950 643943510 /nfs/dbraw/zinc/94/35/10/643943510.db2.gz VTGMBDDQNFZQJI-UHFFFAOYSA-N 1 0 380.539 2.076 20 30 GEEDRO CC[NH+]=C(NCCOc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158570515 644149635 /nfs/dbraw/zinc/14/96/35/644149635.db2.gz CDJYCPFNOUMUCC-UHFFFAOYSA-N 1 0 387.933 2.193 20 30 GEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000184270386 645014502 /nfs/dbraw/zinc/01/45/02/645014502.db2.gz BKNGACGDNUKFIN-NSHDSACASA-N 1 0 377.222 2.335 20 30 GEEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000194071691 645311139 /nfs/dbraw/zinc/31/11/39/645311139.db2.gz PHZADFIEVAXGRK-AWEZNQCLSA-N 1 0 379.298 2.225 20 30 GEEDRO Cc1cc(Br)ccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000261624528 645591791 /nfs/dbraw/zinc/59/17/91/645591791.db2.gz ILVLWXXVZCCZKS-UHFFFAOYSA-N 1 0 389.301 2.184 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@]1(C)CCCO1 ZINC000261713740 645595752 /nfs/dbraw/zinc/59/57/52/645595752.db2.gz HNABTIPUHUDFLB-MRXNPFEDSA-N 1 0 384.274 2.412 20 30 GEEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N(C)Cc1ccon1 ZINC000261764535 645598034 /nfs/dbraw/zinc/59/80/34/645598034.db2.gz NIRBHVKYDRFXAT-UHFFFAOYSA-N 1 0 394.273 2.391 20 30 GEEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261780391 645599316 /nfs/dbraw/zinc/59/93/16/645599316.db2.gz PFIWFCBURUIASB-CYBMUJFWSA-N 1 0 398.330 2.393 20 30 GEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@]1(C)CCCO1 ZINC000261779486 645599406 /nfs/dbraw/zinc/59/94/06/645599406.db2.gz PCVSYFWELXGHIU-KRWDZBQOSA-N 1 0 398.301 2.454 20 30 GEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1cc(Br)cn1C ZINC000261807359 645602323 /nfs/dbraw/zinc/60/23/23/645602323.db2.gz SDULEIPAQVBDKY-OAHLLOKOSA-N 1 0 389.363 2.053 20 30 GEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262410585 645629569 /nfs/dbraw/zinc/62/95/69/645629569.db2.gz PEQVOZXVMNPHRO-TWMKSMIVSA-N 1 0 387.615 2.431 20 30 GEEDRO CSCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262469535 645631896 /nfs/dbraw/zinc/63/18/96/645631896.db2.gz YTXCBMDHTITTOH-INIZCTEOSA-N 1 0 387.615 2.386 20 30 GEEDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(Cl)cc2I)CCO1 ZINC000262506082 645634508 /nfs/dbraw/zinc/63/45/08/645634508.db2.gz ZUGVWQKGZHKWNE-VIFPVBQESA-N 1 0 393.656 2.480 20 30 GEEDRO [NH2+]=C(NCc1ccc(Cl)cc1I)N1CCOCC1 ZINC000262828223 645646561 /nfs/dbraw/zinc/64/65/61/645646561.db2.gz YVTAOBXHQNVQRC-UHFFFAOYSA-N 1 0 379.629 2.092 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000271092172 646172531 /nfs/dbraw/zinc/17/25/31/646172531.db2.gz KMHUZCWHXKPYLM-STQMWFEESA-N 1 0 393.456 2.243 20 30 GEEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281253689 646756450 /nfs/dbraw/zinc/75/64/50/646756450.db2.gz XLJYKGFLRCTKQB-LLVKDONJSA-N 1 0 377.304 2.340 20 30 GEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000281282903 646758850 /nfs/dbraw/zinc/75/88/50/646758850.db2.gz IWGZPDTUNZWOMM-OAHLLOKOSA-N 1 0 380.286 2.496 20 30 GEEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000283669400 646826345 /nfs/dbraw/zinc/82/63/45/646826345.db2.gz ZVWPZJRMEMOHSZ-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C#CCSCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295679410 647237291 /nfs/dbraw/zinc/23/72/91/647237291.db2.gz KUCJIXNEIVFDJP-LBPRGKRZSA-N 1 0 385.327 2.418 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Br ZINC000331212642 647371607 /nfs/dbraw/zinc/37/16/07/647371607.db2.gz ZYUMUEMWTUYJOL-UHFFFAOYSA-N 1 0 386.315 2.475 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362160397 647567577 /nfs/dbraw/zinc/56/75/77/647567577.db2.gz KGYNWKBPHUQSII-DAXOMENPSA-N 1 0 383.901 2.084 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769924 647744152 /nfs/dbraw/zinc/74/41/52/647744152.db2.gz COMSPQLCGSJTQQ-RISCZKNCSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1c(Br)cccc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000368174215 647752744 /nfs/dbraw/zinc/75/27/44/647752744.db2.gz DUKKGDPYYJGPDL-ZDUSSCGKSA-N 1 0 398.326 2.066 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000376275404 647840923 /nfs/dbraw/zinc/84/09/23/647840923.db2.gz PJOVFMUKRJBBRR-LBPRGKRZSA-N 1 0 384.299 2.180 20 30 GEEDRO N#Cc1ccc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Br)c1 ZINC000378485050 647882635 /nfs/dbraw/zinc/88/26/35/647882635.db2.gz YQYJYJHDLMTEPW-KRWDZBQOSA-N 1 0 391.313 2.235 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000408435096 647954502 /nfs/dbraw/zinc/95/45/02/647954502.db2.gz LDDYPYGOQOMNSW-CABCVRRESA-N 1 0 384.299 2.226 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418767567 648310948 /nfs/dbraw/zinc/31/09/48/648310948.db2.gz OAGOGPJYBOMKJQ-AWEZNQCLSA-N 1 0 386.265 2.274 20 30 GEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000419639174 648358891 /nfs/dbraw/zinc/35/88/91/648358891.db2.gz GRYMAFAOKTWJLV-JSGCOSHPSA-N 1 0 391.269 2.002 20 30 GEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CCCC1 ZINC000419650689 648360076 /nfs/dbraw/zinc/36/00/76/648360076.db2.gz VKTCNMCBCDARAS-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419658300 648360562 /nfs/dbraw/zinc/36/05/62/648360562.db2.gz XXYQNSSLNZDUJX-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419680230 648363566 /nfs/dbraw/zinc/36/35/66/648363566.db2.gz QKWFMVLVRGNVOF-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732723 648372195 /nfs/dbraw/zinc/37/21/95/648372195.db2.gz SLJUQZFSDSEQTO-WFASDCNBSA-N 1 0 389.315 2.167 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)ccc2Br)CC1 ZINC000422297996 648534874 /nfs/dbraw/zinc/53/48/74/648534874.db2.gz QXYQOQOBZZGAAI-UHFFFAOYSA-N 1 0 394.313 2.140 20 30 GEEDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C[NH3+] ZINC000422554579 648558800 /nfs/dbraw/zinc/55/88/00/648558800.db2.gz MRWHSTDSZHJZFQ-GRYCIOLGSA-N 1 0 386.315 2.315 20 30 GEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425720703 648691407 /nfs/dbraw/zinc/69/14/07/648691407.db2.gz BREIHHPVXSZQNS-LLVKDONJSA-N 1 0 395.301 2.414 20 30 GEEDRO C=CCSCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000552518857 651151625 /nfs/dbraw/zinc/15/16/25/651151625.db2.gz NEYHZXYJXDTTBR-GDBMZVCRSA-N 1 0 381.567 2.283 20 30 GEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555820211 651230821 /nfs/dbraw/zinc/23/08/21/651230821.db2.gz LYAAVMPIBMTEBE-GFCCVEGCSA-N 1 0 393.285 2.107 20 30 GEEDRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000556914074 651256994 /nfs/dbraw/zinc/25/69/94/651256994.db2.gz YHJDFHNSYADTRZ-QWHCGFSZSA-N 1 0 386.315 2.318 20 30 GEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603292885 651477444 /nfs/dbraw/zinc/47/74/44/651477444.db2.gz BAAZZOTYPVMCCT-OAHLLOKOSA-N 1 0 378.318 2.322 20 30 GEEDRO C[NH+](C)C[C@H](CNS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1 ZINC000568032742 651646397 /nfs/dbraw/zinc/64/63/97/651646397.db2.gz PYPCSAXWMFQNKI-AWEZNQCLSA-N 1 0 378.885 2.230 20 30 GEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1[NH+](C)C ZINC000611432562 651724019 /nfs/dbraw/zinc/72/40/19/651724019.db2.gz HVJIKVJLWKXPSV-HZUKXOBISA-N 1 0 378.567 2.413 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000570161325 651750748 /nfs/dbraw/zinc/75/07/48/651750748.db2.gz UNRYZAGVMZOHEI-KBPBESRZSA-N 1 0 398.326 2.331 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000570276333 651757008 /nfs/dbraw/zinc/75/70/08/651757008.db2.gz HCIPABOJPVRRCL-ZWKOTPCHSA-N 1 0 379.551 2.094 20 30 GEEDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000576106894 652096748 /nfs/dbraw/zinc/09/67/48/652096748.db2.gz UQCNWDSTEJQPHK-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000576457306 652119570 /nfs/dbraw/zinc/11/95/70/652119570.db2.gz FVPZMXCYYDUTBA-CRAIPNDOSA-N 1 0 395.345 2.071 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000577220291 652171313 /nfs/dbraw/zinc/17/13/13/652171313.db2.gz LPUQEBXCGKPSTJ-UHFFFAOYSA-N 1 0 398.326 2.475 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Br)cs2)nc1 ZINC000577298476 652177889 /nfs/dbraw/zinc/17/78/89/652177889.db2.gz FRTARJRBEGIFJU-UHFFFAOYSA-N 1 0 386.296 2.341 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCS(=O)(=O)NC(C)C)cc1OC ZINC000623403777 652235103 /nfs/dbraw/zinc/23/51/03/652235103.db2.gz HDBKIIYEUCBFBK-UHFFFAOYSA-N 1 0 376.906 2.331 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658429878 652271168 /nfs/dbraw/zinc/27/11/68/652271168.db2.gz ZCCBIEDZPPRZMJ-GFCCVEGCSA-N 1 0 398.301 2.409 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000578428863 652271142 /nfs/dbraw/zinc/27/11/42/652271142.db2.gz LQJBSZQZILONLZ-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)c2ccccc2Cl)c1 ZINC000579122483 652318619 /nfs/dbraw/zinc/31/86/19/652318619.db2.gz RURVMXSMTWHLHF-OAHLLOKOSA-N 1 0 378.881 2.351 20 30 GEEDRO C=CCCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000579943250 652360079 /nfs/dbraw/zinc/36/00/79/652360079.db2.gz HHPUDJHUWDATCK-OAHLLOKOSA-N 1 0 388.555 2.045 20 30 GEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000753909959 652420465 /nfs/dbraw/zinc/42/04/65/652420465.db2.gz IRZGUXPIWVFMBX-LLVKDONJSA-N 1 0 378.479 2.281 20 30 GEEDRO N#CCC[C@H](C#N)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000581982061 652430100 /nfs/dbraw/zinc/43/01/00/652430100.db2.gz DLLNNZFVYOCMPQ-OAHLLOKOSA-N 1 0 380.539 2.498 20 30 GEEDRO C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000756000317 652484088 /nfs/dbraw/zinc/48/40/88/652484088.db2.gz UEUDNKONKFPHBS-GOSISDBHSA-N 1 0 390.325 2.363 20 30 GEEDRO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CCn1cc(Br)cn1 ZINC000583522943 652488265 /nfs/dbraw/zinc/48/82/65/652488265.db2.gz FLLLNZAPOWUIDI-UHFFFAOYSA-N 1 0 376.258 2.478 20 30 GEEDRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588632634 652553520 /nfs/dbraw/zinc/55/35/20/652553520.db2.gz IOFOPDYFVMIGIB-UHFFFAOYSA-N 1 0 381.274 2.059 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000759322886 652569205 /nfs/dbraw/zinc/56/92/05/652569205.db2.gz ASYHADNNDBLLGG-CQSZACIVSA-N 1 0 389.253 2.284 20 30 GEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1 ZINC000760047450 652593821 /nfs/dbraw/zinc/59/38/21/652593821.db2.gz OJUHZGJXJUNKTC-AWEZNQCLSA-N 1 0 375.922 2.301 20 30 GEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593134182 652615347 /nfs/dbraw/zinc/61/53/47/652615347.db2.gz VZVWPYORBVFJSJ-AWEZNQCLSA-N 1 0 393.329 2.005 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000593572988 652625227 /nfs/dbraw/zinc/62/52/27/652625227.db2.gz REBGBMIYGWVHOP-UHFFFAOYSA-N 1 0 383.539 2.133 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000593733475 652634053 /nfs/dbraw/zinc/63/40/53/652634053.db2.gz HMTNGMVSHBIWRF-VBQJREDUSA-N 1 0 383.901 2.119 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000593738387 652634371 /nfs/dbraw/zinc/63/43/71/652634371.db2.gz ZGFSWYHLGAGSCO-QEORTHHSSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)n1 ZINC000594291157 652644270 /nfs/dbraw/zinc/64/42/70/652644270.db2.gz MAIDQHDKCGFAQZ-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO O=S1CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000761800889 652657924 /nfs/dbraw/zinc/65/79/24/652657924.db2.gz HLZBQRPNPPDQTP-UHFFFAOYSA-N 1 0 378.567 2.014 20 30 GEEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961351 652698424 /nfs/dbraw/zinc/69/84/24/652698424.db2.gz XRAYFCQHAREDLQ-INIZCTEOSA-N 1 0 376.503 2.228 20 30 GEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000596053176 652752293 /nfs/dbraw/zinc/75/22/93/652752293.db2.gz XGZMFDNUFNREIC-JTQLQIEISA-N 1 0 375.294 2.087 20 30 GEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599105651 652850238 /nfs/dbraw/zinc/85/02/38/652850238.db2.gz ZNJBFLBFCSSXMC-KOLCDFICSA-N 1 0 381.807 2.359 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357387 652863704 /nfs/dbraw/zinc/86/37/04/652863704.db2.gz QAGIDRFRZMQBRE-CVEARBPZSA-N 1 0 383.286 2.143 20 30 GEEDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000599415270 652869219 /nfs/dbraw/zinc/86/92/19/652869219.db2.gz MEZNAGLMGUOQST-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO C[C@@](C#N)(NC(=O)CN1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880696 653211282 /nfs/dbraw/zinc/21/12/82/653211282.db2.gz IFRFGJUKLSOWSS-PBHICJAKSA-N 1 0 393.285 2.106 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ncc2Br)c1C#N ZINC000810023203 653318133 /nfs/dbraw/zinc/31/81/33/653318133.db2.gz AYOBHDHGGPLDRK-UHFFFAOYSA-N 1 0 397.664 2.497 20 30 GEEDRO Cn1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(Br)n1 ZINC000858124794 653349323 /nfs/dbraw/zinc/34/93/23/653349323.db2.gz PWJPMDGDVKKDHY-UHFFFAOYSA-N 1 0 375.274 2.208 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000876609384 653437459 /nfs/dbraw/zinc/43/74/59/653437459.db2.gz LZTIXOOPIMIVPZ-AAEUAGOBSA-N 1 0 380.794 2.373 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1scc(Br)c1Br ZINC000876801883 653449060 /nfs/dbraw/zinc/44/90/60/653449060.db2.gz KBOHUTJUCKLEAB-IYSWYEEDSA-N 1 0 379.077 2.114 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893559 653452292 /nfs/dbraw/zinc/45/22/92/653452292.db2.gz MGERCSUBBWCDSJ-OLZOCXBDSA-N 1 0 375.778 2.175 20 30 GEEDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877504987 653597345 /nfs/dbraw/zinc/59/73/45/653597345.db2.gz VZHPGZKVXXPWEJ-ZDUSSCGKSA-N 1 0 378.885 2.453 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=C1COc2cc(F)c(Br)cc21 ZINC000814844749 653640310 /nfs/dbraw/zinc/64/03/10/653640310.db2.gz AGLBITHAGLSUDK-UHFFFAOYSA-N 1 0 389.294 2.101 20 30 GEEDRO O=C(NCC[NH2+][C@H]1CCc2cccc(Br)c2C1)C1N=CC=CC1=O ZINC000815126797 653653102 /nfs/dbraw/zinc/65/31/02/653653102.db2.gz RJJSTLOKCLAYJY-BZSIDJSBSA-N 1 0 390.281 2.422 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000815861527 653666906 /nfs/dbraw/zinc/66/69/06/653666906.db2.gz MUULGVYNODKEFX-UHFFFAOYSA-N 1 0 380.286 2.076 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219097 653700916 /nfs/dbraw/zinc/70/09/16/653700916.db2.gz VFIMAFJXSZOTNG-WOVMCDHWSA-N 1 0 380.286 2.151 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000840951479 653703257 /nfs/dbraw/zinc/70/32/57/653703257.db2.gz AEDIPXYZRLKOBU-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149703 653707902 /nfs/dbraw/zinc/70/79/02/653707902.db2.gz LEVULPSMXZTVGR-BXUZGUMPSA-N 1 0 378.274 2.282 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000818584470 653734058 /nfs/dbraw/zinc/73/40/58/653734058.db2.gz NXVWWTWBONRLJG-SREVYHEPSA-N 1 0 381.270 2.248 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000818595968 653734383 /nfs/dbraw/zinc/73/43/83/653734383.db2.gz WVXSTZSDOQHBHW-UHFFFAOYSA-N 1 0 377.282 2.121 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000841999087 653743564 /nfs/dbraw/zinc/74/35/64/653743564.db2.gz ZWUXCNTYSYJJPP-RDJZCZTQSA-N 1 0 380.286 2.191 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000819497412 653751685 /nfs/dbraw/zinc/75/16/85/653751685.db2.gz LOADNRMEPLSHKI-OAHLLOKOSA-N 1 0 375.947 2.021 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843110816 653779718 /nfs/dbraw/zinc/77/97/18/653779718.db2.gz BJEVKMHRGKDOKB-AEFFLSMTSA-N 1 0 391.265 2.384 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000844122868 653801914 /nfs/dbraw/zinc/80/19/14/653801914.db2.gz RIOQDQNAGAJNFL-UHFFFAOYSA-N 1 0 381.270 2.125 20 30 GEEDRO O=C1[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1O ZINC000895163637 653821033 /nfs/dbraw/zinc/82/10/33/653821033.db2.gz WVPWEZFCKLGHAF-MRXNPFEDSA-N 1 0 382.302 2.383 20 30 GEEDRO N#Cc1nc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000883094278 653826402 /nfs/dbraw/zinc/82/64/02/653826402.db2.gz WUDHSMUZDSLVJC-UHFFFAOYSA-N 1 0 394.273 2.044 20 30 GEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883095468 653826492 /nfs/dbraw/zinc/82/64/92/653826492.db2.gz CJXHWKYTLCDBTQ-LLVKDONJSA-N 1 0 384.278 2.194 20 30 GEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883104268 653827305 /nfs/dbraw/zinc/82/73/05/653827305.db2.gz UZEVINLKXPAMQD-NSHDSACASA-N 1 0 396.289 2.025 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1Br ZINC000883479114 653842317 /nfs/dbraw/zinc/84/23/17/653842317.db2.gz NFMSRPNSLSJYNI-UHFFFAOYSA-N 1 0 384.299 2.227 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000884098021 653863388 /nfs/dbraw/zinc/86/33/88/653863388.db2.gz XPBBUYDTUPREBM-JZLYGMAVSA-N 1 0 380.261 2.386 20 30 GEEDRO COc1ccc(Br)cc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884114192 653864269 /nfs/dbraw/zinc/86/42/69/653864269.db2.gz KUMVTPZYJRCKIL-JZLYGMAVSA-N 1 0 378.270 2.213 20 30 GEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)n[nH]1 ZINC000824366721 653892889 /nfs/dbraw/zinc/89/28/89/653892889.db2.gz FEJLJZZVCSJJTJ-UHFFFAOYSA-N 1 0 376.258 2.248 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884956524 653898212 /nfs/dbraw/zinc/89/82/12/653898212.db2.gz ARESYHGAAITWQZ-ZIAGYGMSSA-N 1 0 384.299 2.226 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559178 653901844 /nfs/dbraw/zinc/90/18/44/653901844.db2.gz JGTSOSQJCMVHRD-KRWDZBQOSA-N 1 0 381.314 2.398 20 30 GEEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897605397 653930180 /nfs/dbraw/zinc/93/01/80/653930180.db2.gz BJHGZVGFLDIIDN-OCCSQVGLSA-N 1 0 388.917 2.270 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000826012023 653945117 /nfs/dbraw/zinc/94/51/17/653945117.db2.gz GCOMXTDFFLGHMJ-UHFFFAOYSA-N 1 0 390.281 2.303 20 30 GEEDRO C[NH+]1CCC2(CCN2C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000826068231 653946017 /nfs/dbraw/zinc/94/60/17/653946017.db2.gz GHOHBFFCJCKUOO-UHFFFAOYSA-N 1 0 378.270 2.396 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CSCC[NH2+]2)nc1C ZINC000826530784 653952353 /nfs/dbraw/zinc/95/23/53/653952353.db2.gz IMUVENXWWILFHP-SNVBAGLBSA-N 1 0 396.567 2.218 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCNC2=O)cc1OC ZINC000886324576 653978941 /nfs/dbraw/zinc/97/89/41/653978941.db2.gz ZCSVKQVUYRGZMC-UHFFFAOYSA-N 1 0 384.274 2.137 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000867813024 653991672 /nfs/dbraw/zinc/99/16/72/653991672.db2.gz PCONZDJISUKXKC-WFASDCNBSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)c1cc2c(c(Br)c1)OCO2)C1CC[NH+](C)CC1 ZINC000886583129 653992650 /nfs/dbraw/zinc/99/26/50/653992650.db2.gz BXYDGTDTHDUJEB-UHFFFAOYSA-N 1 0 379.254 2.347 20 30 GEEDRO CCN(CC)S(=O)(=O)c1ccc(CNC(NCc2ccco2)=[NH+]C)s1 ZINC000849020980 654003627 /nfs/dbraw/zinc/00/36/27/654003627.db2.gz CFOFEQKRCSENCO-UHFFFAOYSA-N 1 0 384.527 2.237 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202869 654022912 /nfs/dbraw/zinc/02/29/12/654022912.db2.gz FRGUOGPDKBSZBG-HQJQHLMTSA-N 1 0 388.063 2.445 20 30 GEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877750 654045228 /nfs/dbraw/zinc/04/52/28/654045228.db2.gz BWXJAXKXCRDRQE-DZKIICNBSA-N 1 0 387.933 2.275 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000829582132 654073130 /nfs/dbraw/zinc/07/31/30/654073130.db2.gz JCSGBKFXFZCAQL-JSGCOSHPSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000829582199 654073140 /nfs/dbraw/zinc/07/31/40/654073140.db2.gz JCSGBKFXFZCAQL-OCCSQVGLSA-N 1 0 390.281 2.089 20 30 GEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c(F)ccc(Br)c1F ZINC000799879601 654118290 /nfs/dbraw/zinc/11/82/90/654118290.db2.gz IOAOSMMYPQHMKC-UHFFFAOYSA-N 1 0 379.274 2.477 20 30 GEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000831191451 654169931 /nfs/dbraw/zinc/16/99/31/654169931.db2.gz UVYYBEJPAQQPIU-JTQLQIEISA-N 1 0 390.278 2.222 20 30 GEEDRO C#CCN(Cn1nc(N(C(C)=O)C2CC2)sc1=S)C1CC[NH+](C)CC1 ZINC000902538627 654182531 /nfs/dbraw/zinc/18/25/31/654182531.db2.gz SYBBAHVVWCJVAL-UHFFFAOYSA-N 1 0 379.555 2.176 20 30 GEEDRO N#Cc1nc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1Br ZINC000902904461 654202892 /nfs/dbraw/zinc/20/28/92/654202892.db2.gz KQPUYIOQXXDPTA-DGCLKSJQSA-N 1 0 396.314 2.417 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000903503130 654242424 /nfs/dbraw/zinc/24/24/24/654242424.db2.gz FFCLGIANIPMFDN-BLLLJJGKSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Br)c(C#N)c1)CC[NH2+]CC2 ZINC000903506188 654242660 /nfs/dbraw/zinc/24/26/60/654242660.db2.gz QRBCCNFTPMXBGX-LBPRGKRZSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1Br ZINC000903530704 654250697 /nfs/dbraw/zinc/25/06/97/654250697.db2.gz IVMUTBIOLVGDME-DOMZBBRYSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903530783 654250704 /nfs/dbraw/zinc/25/07/04/654250704.db2.gz COZLHIKLZKNBSL-XHDPSFHLSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903571710 654258277 /nfs/dbraw/zinc/25/82/77/654258277.db2.gz NLUWAIFSNSKYGH-DYVFJYSZSA-N 1 0 375.475 2.154 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000852823681 654261890 /nfs/dbraw/zinc/26/18/90/654261890.db2.gz SGYHBNQJHUKEAE-KRWDZBQOSA-N 1 0 377.282 2.352 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852861319 654263916 /nfs/dbraw/zinc/26/39/16/654263916.db2.gz BORBQLMZTISSCX-INIZCTEOSA-N 1 0 390.325 2.395 20 30 GEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871813588 654263923 /nfs/dbraw/zinc/26/39/23/654263923.db2.gz VCZRPYKSPFRNAL-FZMZJTMJSA-N 1 0 375.416 2.245 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000804695141 654317506 /nfs/dbraw/zinc/31/75/06/654317506.db2.gz AKSJRDFLTQIKAQ-CYBMUJFWSA-N 1 0 382.302 2.257 20 30 GEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CCOCC1 ZINC000872234606 654318419 /nfs/dbraw/zinc/31/84/19/654318419.db2.gz DHLYJQCTGZJHCF-ZIAGYGMSSA-N 1 0 395.297 2.414 20 30 GEEDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)CC2 ZINC000921838592 654329436 /nfs/dbraw/zinc/32/94/36/654329436.db2.gz IQQZNKRUGPOKHQ-ZDUSSCGKSA-N 1 0 376.258 2.163 20 30 GEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493494 654329860 /nfs/dbraw/zinc/32/98/60/654329860.db2.gz DTYDUELABCDSFN-KCJUWKMLSA-N 1 0 397.323 2.404 20 30 GEEDRO CCc1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489672 654329869 /nfs/dbraw/zinc/32/98/69/654329869.db2.gz OODDQFIIMGTVRT-ABAIWWIYSA-N 1 0 388.269 2.039 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490278 654329901 /nfs/dbraw/zinc/32/99/01/654329901.db2.gz UBTKKWCWPBXYLD-CABZTGNLSA-N 1 0 378.219 2.417 20 30 GEEDRO C[C@@](O)(C[NH2+]CCNC(=O)c1c(F)cccc1F)C(F)(F)C(F)(F)F ZINC000905109517 654332524 /nfs/dbraw/zinc/33/25/24/654332524.db2.gz HFAPTSVHUMPRKF-GFCCVEGCSA-N 1 0 376.272 2.233 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968909 654349474 /nfs/dbraw/zinc/34/94/74/654349474.db2.gz HGESAORQYJTBLA-HOCLYGCPSA-N 1 0 399.310 2.147 20 30 GEEDRO CSc1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1C#N ZINC000905465417 654359136 /nfs/dbraw/zinc/35/91/36/654359136.db2.gz PKBREXQSFZXCMD-UHFFFAOYSA-N 1 0 384.523 2.126 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905557112 654366018 /nfs/dbraw/zinc/36/60/18/654366018.db2.gz SOBKUQPDZCNWHO-ZFWWWQNUSA-N 1 0 376.400 2.422 20 30 GEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922106771 654367653 /nfs/dbraw/zinc/36/76/53/654367653.db2.gz TULSKMNUAIMPGU-WFASDCNBSA-N 1 0 386.315 2.128 20 30 GEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905855231 654384973 /nfs/dbraw/zinc/38/49/73/654384973.db2.gz JKLHSHSPOKWNSA-GXFFZTMASA-N 1 0 382.258 2.263 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665427 654387829 /nfs/dbraw/zinc/38/78/29/654387829.db2.gz YBCWKKMVAIYCFR-HUUCEWRRSA-N 1 0 384.299 2.178 20 30 GEEDRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000873111395 654416401 /nfs/dbraw/zinc/41/64/01/654416401.db2.gz MVHJVUADARJHTF-UHFFFAOYSA-N 1 0 381.274 2.237 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906593316 654451673 /nfs/dbraw/zinc/45/16/73/654451673.db2.gz UINYPFGEGBWMLD-UHFFFAOYSA-N 1 0 390.285 2.410 20 30 GEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907084322 654508788 /nfs/dbraw/zinc/50/87/88/654508788.db2.gz BUYBISZUMCANFK-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907199384 654519730 /nfs/dbraw/zinc/51/97/30/654519730.db2.gz XHXFCXAVWDKVHH-HNNXBMFYSA-N 1 0 384.299 2.037 20 30 GEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000907329570 654532551 /nfs/dbraw/zinc/53/25/51/654532551.db2.gz XTCVJXYYUYMCCR-UHFFFAOYSA-N 1 0 383.901 2.133 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000928648845 654654312 /nfs/dbraw/zinc/65/43/12/654654312.db2.gz DZCAXAZVYFHCEB-UHFFFAOYSA-N 1 0 376.254 2.347 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000909410275 654663388 /nfs/dbraw/zinc/66/33/88/654663388.db2.gz HDZASSVKXLFILR-UHFFFAOYSA-N 1 0 383.290 2.127 20 30 GEEDRO C#CCN(C(=O)C(=O)NCc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000929425395 654683525 /nfs/dbraw/zinc/68/35/25/654683525.db2.gz MDGHOHWAULQGII-UHFFFAOYSA-N 1 0 382.291 2.166 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC1 ZINC000931896651 654761120 /nfs/dbraw/zinc/76/11/20/654761120.db2.gz VGXLGGXHEIJMHU-UHFFFAOYSA-N 1 0 378.889 2.416 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000913002471 654778458 /nfs/dbraw/zinc/77/84/58/654778458.db2.gz LLBPZRYBNHPBQH-SFHVURJKSA-N 1 0 381.314 2.293 20 30 GEEDRO FC1(F)[C@@H]2C[NH+](CCN3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941315 654795005 /nfs/dbraw/zinc/79/50/05/654795005.db2.gz AHFJNDKLDXFPDX-NXEZZACHSA-N 1 0 382.295 2.421 20 30 GEEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C#N)cc1Cl)CCC2 ZINC001164811505 720212189 /nfs/dbraw/zinc/21/21/89/720212189.db2.gz IXXPNDCLNXIVKC-UHFFFAOYSA-N 1 0 386.887 2.414 20 30 GEEDRO CSc1nc(Cl)c(C#N)c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164733246 720505030 /nfs/dbraw/zinc/50/50/30/720505030.db2.gz YWNQNWUBBKEBBP-NSHDSACASA-N 1 0 377.905 2.118 20 30 GEEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739724 720697173 /nfs/dbraw/zinc/69/71/73/720697173.db2.gz PAVBJKNFDVECMT-OLZOCXBDSA-N 1 0 391.262 2.392 20 30 GEEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c1 ZINC001164744922 720813709 /nfs/dbraw/zinc/81/37/09/720813709.db2.gz JSMFHCBXLVYPED-HSALFYBXSA-N 1 0 377.496 2.233 20 30 GEEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1C#N ZINC001164745813 720837687 /nfs/dbraw/zinc/83/76/87/720837687.db2.gz NOLUAVRMJCHEGF-HSALFYBXSA-N 1 0 377.496 2.233 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890987 721385743 /nfs/dbraw/zinc/38/57/43/721385743.db2.gz PZBBVCAYJXEVHN-PXNSSMCTSA-N 1 0 389.931 2.372 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889844 721418064 /nfs/dbraw/zinc/41/80/64/721418064.db2.gz RQEVOBHHEUFGNS-PGRDOPGGSA-N 1 0 394.523 2.200 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1C#N)CC2 ZINC001164787902 721450782 /nfs/dbraw/zinc/45/07/82/721450782.db2.gz RFLAKUFXEIDFDO-GOSISDBHSA-N 1 0 385.512 2.082 20 30 GEEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C=NO)c1 ZINC001164809834 721570714 /nfs/dbraw/zinc/57/07/14/721570714.db2.gz XKNUMNUERABPRZ-HSALFYBXSA-N 1 0 381.480 2.461 20 30 GEEDRO COc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164977393 722110804 /nfs/dbraw/zinc/11/08/04/722110804.db2.gz MVCRJAKCBCCVLP-XLIONFOSSA-N 1 0 379.464 2.084 20 30 GEEDRO C=CCOc1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979063 722119872 /nfs/dbraw/zinc/11/98/72/722119872.db2.gz OUSUYZROBLHGPB-WOJBJXKFSA-N 1 0 395.507 2.472 20 30 GEEDRO COc1ccc(Br)cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000172124665 531934174 /nfs/dbraw/zinc/93/41/74/531934174.db2.gz XRROKZBMNYLTIX-NXVVXOECSA-N 1 0 380.242 2.074 20 30 GEEDRO CC#CCN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121367253 532025098 /nfs/dbraw/zinc/02/50/98/532025098.db2.gz VNRUJIVCPIVALE-UHFFFAOYSA-N 1 0 377.329 2.230 20 30 GEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1Br ZINC000122088535 532057269 /nfs/dbraw/zinc/05/72/69/532057269.db2.gz ZWQXGLOVZMNBDZ-UHFFFAOYSA-N 1 0 381.274 2.082 20 30 GEEDRO CN(CCC#N)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122179066 532061365 /nfs/dbraw/zinc/06/13/65/532061365.db2.gz VOYWYKBOVFEVNH-UHFFFAOYSA-N 1 0 378.523 2.166 20 30 GEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000294525812 532364383 /nfs/dbraw/zinc/36/43/83/532364383.db2.gz ZNPPUUPMYNMACN-AWEZNQCLSA-N 1 0 393.285 2.202 20 30 GEEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294776055 532382850 /nfs/dbraw/zinc/38/28/50/532382850.db2.gz AGWRRSWVNZJIPM-CYBMUJFWSA-N 1 0 378.270 2.115 20 30 GEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000295067758 532400200 /nfs/dbraw/zinc/40/02/00/532400200.db2.gz RTMAUYAUOROOLC-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328786 532409194 /nfs/dbraw/zinc/40/91/94/532409194.db2.gz CAACNOBQJYMEIL-OAHLLOKOSA-N 1 0 384.299 2.037 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000592375570 532451534 /nfs/dbraw/zinc/45/15/34/532451534.db2.gz XPTZMKZXWNNVMF-CJNGLKHVSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000592747248 532458646 /nfs/dbraw/zinc/45/86/46/532458646.db2.gz RIKLSEDXBRPYGL-UHFFFAOYSA-N 1 0 391.313 2.359 20 30 GEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757036 532460139 /nfs/dbraw/zinc/46/01/39/532460139.db2.gz DZCRVNRTSVSYQC-INIZCTEOSA-N 1 0 391.313 2.310 20 30 GEEDRO C[NH+](C)C[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763906 532460822 /nfs/dbraw/zinc/46/08/22/532460822.db2.gz JUDZPKALQMVTEA-CYBMUJFWSA-N 1 0 391.313 2.167 20 30 GEEDRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593557129 532487122 /nfs/dbraw/zinc/48/71/22/532487122.db2.gz PNGZMZYVGKAFMV-UHFFFAOYSA-N 1 0 394.313 2.168 20 30 GEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593659125 532492511 /nfs/dbraw/zinc/49/25/11/532492511.db2.gz ZYXPTRGIKPZJOU-UHFFFAOYSA-N 1 0 395.301 2.353 20 30 GEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000374588013 532511541 /nfs/dbraw/zinc/51/15/41/532511541.db2.gz UXKNSFYWZORINZ-KMFMINBZSA-N 1 0 384.933 2.401 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000521646691 532516679 /nfs/dbraw/zinc/51/66/79/532516679.db2.gz XYICUAPASPAXER-HNNXBMFYSA-N 1 0 395.276 2.203 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283439906 532540440 /nfs/dbraw/zinc/54/04/40/532540440.db2.gz DCKTYYDLONUNRA-UHFFFAOYSA-N 1 0 384.299 2.226 20 30 GEEDRO CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@H]1CC[N@H+](CC)C1 ZINC000595131676 532545032 /nfs/dbraw/zinc/54/50/32/532545032.db2.gz RUPXEPXOMRJZOK-ZDUSSCGKSA-N 1 0 393.285 2.202 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432872080 532546369 /nfs/dbraw/zinc/54/63/69/532546369.db2.gz KQDUFNRHYJQHAZ-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3CC[C@@H](C1)[S@@]3=O)CCC2 ZINC000528789549 532583107 /nfs/dbraw/zinc/58/31/07/532583107.db2.gz UCYAXZJCLXGPTF-UXGGDIESSA-N 1 0 377.535 2.422 20 30 GEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000262397670 532591428 /nfs/dbraw/zinc/59/14/28/532591428.db2.gz NDXNWADPFONVLZ-GFCCVEGCSA-N 1 0 387.908 2.110 20 30 GEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262420889 532593624 /nfs/dbraw/zinc/59/36/24/532593624.db2.gz QXIKALVRJSOZGK-HOTGVXAUSA-N 1 0 381.567 2.111 20 30 GEEDRO Cc1cn2c(n1)CN(S(=O)(=O)c1cccc(Br)c1C#N)CC2 ZINC000376369883 532610496 /nfs/dbraw/zinc/61/04/96/532610496.db2.gz WOAYNILMYINDKP-UHFFFAOYSA-N 1 0 381.255 2.030 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298114310 532626707 /nfs/dbraw/zinc/62/67/07/532626707.db2.gz AKIURNKNVHLDSJ-MRXNPFEDSA-N 1 0 382.302 2.079 20 30 GEEDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376842086 532631653 /nfs/dbraw/zinc/63/16/53/532631653.db2.gz GDWACDHXICYKDD-UHFFFAOYSA-N 1 0 393.285 2.204 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633021453 532656990 /nfs/dbraw/zinc/65/69/90/532656990.db2.gz GADGQODOWYEANA-VXGBXAGGSA-N 1 0 396.285 2.006 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000378233835 532685199 /nfs/dbraw/zinc/68/51/99/532685199.db2.gz USBAYZLAVJFKGH-ZDUSSCGKSA-N 1 0 384.299 2.180 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000668369534 532711160 /nfs/dbraw/zinc/71/11/60/532711160.db2.gz ZYJRGVNDQLZLDI-UHFFFAOYSA-N 1 0 379.258 2.411 20 30 GEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000576116367 532723644 /nfs/dbraw/zinc/72/36/44/532723644.db2.gz BWFHMVSWVHPWCV-UHFFFAOYSA-N 1 0 385.917 2.333 20 30 GEEDRO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000450767399 532760111 /nfs/dbraw/zinc/76/01/11/532760111.db2.gz UGWDFDWEUQWVLT-LBPRGKRZSA-N 1 0 378.270 2.466 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000287260832 532788332 /nfs/dbraw/zinc/78/83/32/532788332.db2.gz DBYYIYSMHUSATL-UHFFFAOYSA-N 1 0 384.322 2.375 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1(=O)=O ZINC000329503142 532807834 /nfs/dbraw/zinc/80/78/34/532807834.db2.gz ANLKFECCUBWWSD-ZOWXZIJZSA-N 1 0 383.539 2.343 20 30 GEEDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330682916 532825797 /nfs/dbraw/zinc/82/57/97/532825797.db2.gz OKKLCOUDZFMJFS-LBPRGKRZSA-N 1 0 386.315 2.472 20 30 GEEDRO CC[NH2+][C@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414917492 532835920 /nfs/dbraw/zinc/83/59/20/532835920.db2.gz VXIOFSHPZIJBNF-LLVKDONJSA-N 1 0 376.511 2.822 20 30 GEEDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000414918208 532836219 /nfs/dbraw/zinc/83/62/19/532836219.db2.gz YJHUJZSANCCCFJ-CYBMUJFWSA-N 1 0 376.511 2.807 20 30 GEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CNCCO2)cc1OCC ZINC000415097646 532837654 /nfs/dbraw/zinc/83/76/54/532837654.db2.gz UBMLWDQZNUDOFA-AWEZNQCLSA-N 1 0 385.302 2.491 20 30 GEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000331467917 532840411 /nfs/dbraw/zinc/84/04/11/532840411.db2.gz HVFWLHJQKBGKBU-PWSUYJOCSA-N 1 0 384.299 2.224 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415338204 532841671 /nfs/dbraw/zinc/84/16/71/532841671.db2.gz VZDBLRKEMNLFDV-GFCCVEGCSA-N 1 0 396.285 2.068 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000415501285 532847837 /nfs/dbraw/zinc/84/78/37/532847837.db2.gz UCPOTOXDMARVPE-ZDUSSCGKSA-N 1 0 396.285 2.163 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415501283 532847975 /nfs/dbraw/zinc/84/79/75/532847975.db2.gz UCPOTOXDMARVPE-CYBMUJFWSA-N 1 0 396.285 2.163 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000332085159 532848461 /nfs/dbraw/zinc/84/84/61/532848461.db2.gz QFUMHZREYMZSLR-CABCVRRESA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415620575 532851267 /nfs/dbraw/zinc/85/12/67/532851267.db2.gz VDCBRXHZDOTYHJ-BXUZGUMPSA-N 1 0 396.285 2.067 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415646493 532852163 /nfs/dbraw/zinc/85/21/63/532852163.db2.gz MVOGWNSFOOQSIS-STQMWFEESA-N 1 0 396.285 2.339 20 30 GEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000416366023 532872028 /nfs/dbraw/zinc/87/20/28/532872028.db2.gz BPPGTFMGTISFBT-KBPBESRZSA-N 1 0 384.299 2.226 20 30 GEEDRO N#Cc1cnc2c(Br)cccc2c1N1CCC([NH2+]CCO)CC1 ZINC000290922683 532892849 /nfs/dbraw/zinc/89/28/49/532892849.db2.gz ILKPBTJHQXMBFL-UHFFFAOYSA-N 1 0 375.270 2.420 20 30 GEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 ZINC000293295023 532924729 /nfs/dbraw/zinc/92/47/29/532924729.db2.gz GGACKKIRDNSYEP-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293565963 532928698 /nfs/dbraw/zinc/92/86/98/532928698.db2.gz MNJYROSAMYTGAS-CYBMUJFWSA-N 1 0 397.288 2.407 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000370139396 532942444 /nfs/dbraw/zinc/94/24/44/532942444.db2.gz DWLJGSWDHBDVHO-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC000820759965 607253432 /nfs/dbraw/zinc/25/34/32/607253432.db2.gz OQXHXZSZZKGPTG-OAHLLOKOSA-N 1 0 376.468 2.249 20 30 GEEDRO N#Cc1ccccc1N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000737727419 598253981 /nfs/dbraw/zinc/25/39/81/598253981.db2.gz LOCNXQCRXULHJG-UHFFFAOYSA-N 1 0 384.447 2.313 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000735420432 598416271 /nfs/dbraw/zinc/41/62/71/598416271.db2.gz PLZMMDGNJWQUIQ-UHFFFAOYSA-N 1 0 387.557 2.317 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000735421425 598726630 /nfs/dbraw/zinc/72/66/30/598726630.db2.gz ZHLIMQCCSXVEOB-UHFFFAOYSA-N 1 0 383.500 2.296 20 30 GEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735420327 599613920 /nfs/dbraw/zinc/61/39/20/599613920.db2.gz OTHCAOBUGDERJQ-SFHVURJKSA-N 1 0 381.484 2.049 20 30 GEEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1-c1nn[nH]n1 ZINC000826194860 607484535 /nfs/dbraw/zinc/48/45/35/607484535.db2.gz YAYHGAFLZDXTCA-UHFFFAOYSA-N 1 0 389.463 2.459 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823849892 607922978 /nfs/dbraw/zinc/92/29/78/607922978.db2.gz BMXZLRSUPPNBCA-QGZVFWFLSA-N 1 0 383.452 2.057 20 30 GEEDRO C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000823844911 608376703 /nfs/dbraw/zinc/37/67/03/608376703.db2.gz KANRWITWIXKADK-UHFFFAOYSA-N 1 0 385.834 2.353 20 30 GEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000824034402 608514688 /nfs/dbraw/zinc/51/46/88/608514688.db2.gz JGALFNRODQPPMS-INIZCTEOSA-N 1 0 389.463 2.480 20 30 GEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826384733 609600334 /nfs/dbraw/zinc/60/03/34/609600334.db2.gz HNSWWQRVXFZEOF-INIZCTEOSA-N 1 0 379.449 2.085 20 30 GEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448975840 650027861 /nfs/dbraw/zinc/02/78/61/650027861.db2.gz QWCIUGHWXDLVGQ-CYBMUJFWSA-N 1 0 379.302 2.077 20 30 GEEDRO N#Cc1ccc(OCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000449789711 650050061 /nfs/dbraw/zinc/05/00/61/650050061.db2.gz HMKJSJKYNJPDRK-GFCCVEGCSA-N 1 0 378.270 2.300 20 30 GEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000449863381 650054309 /nfs/dbraw/zinc/05/43/09/650054309.db2.gz FYURZARAUQNCAP-OAHLLOKOSA-N 1 0 378.270 2.252 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449926536 650056203 /nfs/dbraw/zinc/05/62/03/650056203.db2.gz CXCBUOPDXAHEAW-WBMJQRKESA-N 1 0 380.286 2.498 20 30 GEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103230 650059917 /nfs/dbraw/zinc/05/99/17/650059917.db2.gz GFGSQUVKLBDSPQ-BZNIZROVSA-N 1 0 378.270 2.298 20 30 GEEDRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450260786 650063177 /nfs/dbraw/zinc/06/31/77/650063177.db2.gz FMOBUFJBAQEOCR-UHFFFAOYSA-N 1 0 380.286 2.240 20 30 GEEDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451495795 650120645 /nfs/dbraw/zinc/12/06/45/650120645.db2.gz SRAPOUHAPKEAIV-UHFFFAOYSA-N 1 0 390.278 2.222 20 30 GEEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451570913 650126472 /nfs/dbraw/zinc/12/64/72/650126472.db2.gz VRVBAOFORXAULF-JTQLQIEISA-N 1 0 392.294 2.467 20 30 GEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453342628 650208244 /nfs/dbraw/zinc/20/82/44/650208244.db2.gz IPBDJPMLSSPCSY-HONMWMINSA-N 1 0 389.315 2.481 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000454105536 650253684 /nfs/dbraw/zinc/25/36/84/650253684.db2.gz QFGRMPIBSZBMDD-CQSZACIVSA-N 1 0 393.285 2.200 20 30 GEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000476339929 650548711 /nfs/dbraw/zinc/54/87/11/650548711.db2.gz RJNWMAIYULMHOS-HNNXBMFYSA-N 1 0 385.917 2.333 20 30 GEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000476339930 650548727 /nfs/dbraw/zinc/54/87/27/650548727.db2.gz RJNWMAIYULMHOS-OAHLLOKOSA-N 1 0 385.917 2.333 20 30 GEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)C(C)C ZINC000042393598 642552383 /nfs/dbraw/zinc/55/23/83/642552383.db2.gz JZIWNABETMCPEE-INIZCTEOSA-N 1 0 396.329 2.426 20 30 GEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(F)c2I)CC1 ZINC000533543972 650761825 /nfs/dbraw/zinc/76/18/25/650761825.db2.gz GFBYLTWEDNXIER-UHFFFAOYSA-N 1 0 387.196 2.148 20 30 GEEDRO Cc1c(Br)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000533575451 650762885 /nfs/dbraw/zinc/76/28/85/650762885.db2.gz HVKVBDKLROWSMV-UHFFFAOYSA-N 1 0 381.230 2.384 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[N@H+](C)C1CC1 ZINC000066924089 642951544 /nfs/dbraw/zinc/95/15/44/642951544.db2.gz LTOBXIHHKALHFC-UHFFFAOYSA-N 1 0 396.285 2.309 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000119096160 643535646 /nfs/dbraw/zinc/53/56/46/643535646.db2.gz PETFYRUEYXRYGA-UHFFFAOYSA-N 1 0 385.249 2.457 20 30 GEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498670063 650862286 /nfs/dbraw/zinc/86/22/86/650862286.db2.gz WTXFWUQJFQLWIJ-NSHDSACASA-N 1 0 381.274 2.106 20 30 GEEDRO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176008022 644395686 /nfs/dbraw/zinc/39/56/86/644395686.db2.gz ICGBUNLBXPYNTD-UHFFFAOYSA-N 1 0 382.302 2.351 20 30 GEEDRO C=CCN(Cc1cccs1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000195339611 645372263 /nfs/dbraw/zinc/37/22/63/645372263.db2.gz GVJZCVQJFUYAMB-UHFFFAOYSA-N 1 0 382.555 2.500 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000236645750 645415834 /nfs/dbraw/zinc/41/58/34/645415834.db2.gz MKJGNGUXGSWREF-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000245399865 645452928 /nfs/dbraw/zinc/45/29/28/645452928.db2.gz XDYUCQJQFUDGMK-XJKSGUPXSA-N 1 0 381.318 2.359 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000246133113 645477375 /nfs/dbraw/zinc/47/73/75/645477375.db2.gz JUNKLCJIFFKIQE-DYVFJYSZSA-N 1 0 376.507 2.376 20 30 GEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N(C)Cc1cccc(Cl)c1 ZINC000261600273 645589093 /nfs/dbraw/zinc/58/90/93/645589093.db2.gz BFJRPDKKMBWBCE-UHFFFAOYSA-N 1 0 386.949 2.019 20 30 GEEDRO Cc1nc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)s1 ZINC000262419250 645629583 /nfs/dbraw/zinc/62/95/83/645629583.db2.gz QTDFBJDUIRHLAP-CQSZACIVSA-N 1 0 384.571 2.172 20 30 GEEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262589284 645638590 /nfs/dbraw/zinc/63/85/90/645638590.db2.gz UEZFHMSVKBCTKE-UHFFFAOYSA-N 1 0 393.340 2.036 20 30 GEEDRO [NH2+]=C(NCCn1cc(Br)ccc1=O)N[C@H]1CCOc2ccccc21 ZINC000263024024 645649995 /nfs/dbraw/zinc/64/99/95/645649995.db2.gz AGZVZZRKQLYELC-AWEZNQCLSA-N 1 0 391.269 2.039 20 30 GEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047430 646299283 /nfs/dbraw/zinc/29/92/83/646299283.db2.gz DTTLRLINHLVUGD-WMZOPIPTSA-N 1 0 391.265 2.384 20 30 GEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275472342 646354933 /nfs/dbraw/zinc/35/49/33/646354933.db2.gz MBBBCCNXEOTGRK-HUUCEWRRSA-N 1 0 387.477 2.037 20 30 GEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccnc1C#N ZINC000277261231 646395189 /nfs/dbraw/zinc/39/51/89/646395189.db2.gz WUBATMLJCZMKGG-UHFFFAOYSA-N 1 0 378.420 2.238 20 30 GEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278943224 646564945 /nfs/dbraw/zinc/56/49/45/646564945.db2.gz YOQGLGAFKUWIFZ-UHFFFAOYSA-N 1 0 386.315 2.283 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000279565267 646612119 /nfs/dbraw/zinc/61/21/19/646612119.db2.gz KXKWDPBHQJCHLF-UHFFFAOYSA-N 1 0 388.269 2.314 20 30 GEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287154616 646883547 /nfs/dbraw/zinc/88/35/47/646883547.db2.gz BVGPJMVWXFJVED-GFCCVEGCSA-N 1 0 386.315 2.426 20 30 GEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000293054903 647214142 /nfs/dbraw/zinc/21/41/42/647214142.db2.gz LCGPSNMVJNIHKT-LBPRGKRZSA-N 1 0 393.285 2.107 20 30 GEEDRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000294948276 647228689 /nfs/dbraw/zinc/22/86/89/647228689.db2.gz VSYUHQSEOOQVJB-UHFFFAOYSA-N 1 0 390.285 2.258 20 30 GEEDRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCSC[C@@H]3CO)c2C#N)C1 ZINC000334028333 647488214 /nfs/dbraw/zinc/48/82/14/647488214.db2.gz JEHMXIXJKWAMRA-OLZOCXBDSA-N 1 0 379.551 2.483 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21 ZINC000367769925 647744688 /nfs/dbraw/zinc/74/46/88/647744688.db2.gz COMSPQLCGSJTQQ-SMDDNHRTSA-N 1 0 384.299 2.035 20 30 GEEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000408112807 647927326 /nfs/dbraw/zinc/92/73/26/647927326.db2.gz OBCMIBKPYCRRLB-NWDGAFQWSA-N 1 0 386.315 2.424 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000411188053 648026382 /nfs/dbraw/zinc/02/63/82/648026382.db2.gz CBZSWUNDMWYGHM-LBPRGKRZSA-N 1 0 398.301 2.409 20 30 GEEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416410903 648116367 /nfs/dbraw/zinc/11/63/67/648116367.db2.gz YHKYRANFSVVAOZ-BXUZGUMPSA-N 1 0 386.315 2.424 20 30 GEEDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416411936 648117574 /nfs/dbraw/zinc/11/75/74/648117574.db2.gz LGSMTPIMFSEQNJ-AWEZNQCLSA-N 1 0 386.315 2.426 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000418295665 648291693 /nfs/dbraw/zinc/29/16/93/648291693.db2.gz IYQZCTKIKUNQJJ-UHFFFAOYSA-N 1 0 399.308 2.191 20 30 GEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419690826 648365209 /nfs/dbraw/zinc/36/52/09/648365209.db2.gz CSNJLKOHRILVRL-RISCZKNCSA-N 1 0 393.285 2.058 20 30 GEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419740247 648373943 /nfs/dbraw/zinc/37/39/43/648373943.db2.gz BDBJRAQJYOUBJN-LLVKDONJSA-N 1 0 381.274 2.104 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420197832 648408880 /nfs/dbraw/zinc/40/88/80/648408880.db2.gz CCHJGLNLRWFOQF-MGPQQGTHSA-N 1 0 381.929 2.420 20 30 GEEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093946 648612422 /nfs/dbraw/zinc/61/24/22/648612422.db2.gz SNZSKFVEFKHPFV-GWCFXTLKSA-N 1 0 382.258 2.419 20 30 GEEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093948 648612453 /nfs/dbraw/zinc/61/24/53/648612453.db2.gz SNZSKFVEFKHPFV-MFKMUULPSA-N 1 0 382.258 2.419 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000424097182 648612932 /nfs/dbraw/zinc/61/29/32/648612932.db2.gz DXRHAFLDQBNDTR-CQSZACIVSA-N 1 0 383.279 2.299 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000424103845 648613644 /nfs/dbraw/zinc/61/36/44/648613644.db2.gz SYTRMNWKTGQEMM-CQSZACIVSA-N 1 0 383.279 2.299 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425369618 648674620 /nfs/dbraw/zinc/67/46/20/648674620.db2.gz AFLMKOWASRFWKF-DZGCQCFKSA-N 1 0 381.929 2.469 20 30 GEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425756217 648695395 /nfs/dbraw/zinc/69/53/95/648695395.db2.gz LMGHHBSAJHVFSN-GFCCVEGCSA-N 1 0 397.317 2.076 20 30 GEEDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc(Br)c1C#N ZINC000425756795 648695941 /nfs/dbraw/zinc/69/59/41/648695941.db2.gz MIGQCSPFIPXVGW-GFCCVEGCSA-N 1 0 393.285 2.120 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCN2CCc3sccc3C2)c1 ZINC000549111242 651092168 /nfs/dbraw/zinc/09/21/68/651092168.db2.gz VRODYIKRGWMXFV-UHFFFAOYSA-N 1 0 375.519 2.041 20 30 GEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000730143852 651591015 /nfs/dbraw/zinc/59/10/15/651591015.db2.gz WXVBILNTEYLJAA-AWEZNQCLSA-N 1 0 382.917 2.359 20 30 GEEDRO Cc1nc2ccc(Br)cn2c1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000567812500 651635820 /nfs/dbraw/zinc/63/58/20/651635820.db2.gz IJKBIUORRLSOTP-UHFFFAOYSA-N 1 0 376.258 2.123 20 30 GEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)n1 ZINC000568192420 651655700 /nfs/dbraw/zinc/65/57/00/651655700.db2.gz KDALDLAPBLHEIA-HNNXBMFYSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CC[N@@H+](CCC(=O)NC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195045 651693057 /nfs/dbraw/zinc/69/30/57/651693057.db2.gz BQPAESNVZPNMJZ-CQSZACIVSA-N 1 0 394.269 2.054 20 30 GEEDRO Cn1nc(-c2ccccc2)c(C=NNC(=S)NCCC[NH+](C)C)c1Cl ZINC000734748682 651753741 /nfs/dbraw/zinc/75/37/41/651753741.db2.gz VDIRAIOSNBUHHA-UHFFFAOYSA-N 1 0 378.933 2.490 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cscc2Br)c1C#N ZINC000570786981 651790712 /nfs/dbraw/zinc/79/07/12/651790712.db2.gz LNVZLNJTXQHIFH-UHFFFAOYSA-N 1 0 382.287 2.439 20 30 GEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1Cl ZINC000738355097 651892161 /nfs/dbraw/zinc/89/21/61/651892161.db2.gz YTMPWFCGOGPLNX-UHFFFAOYSA-N 1 0 378.885 2.359 20 30 GEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1Cl ZINC000573317530 651946623 /nfs/dbraw/zinc/94/66/23/651946623.db2.gz MAIOZCYSTDJLNU-CYBMUJFWSA-N 1 0 379.869 2.437 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000576814174 652144562 /nfs/dbraw/zinc/14/45/62/652144562.db2.gz KMBZIYVEDLNTOY-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000580496471 652381161 /nfs/dbraw/zinc/38/11/61/652381161.db2.gz LTHONJSMWDICJA-UHFFFAOYSA-N 1 0 397.292 2.450 20 30 GEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(Cl)c1 ZINC000580553994 652383141 /nfs/dbraw/zinc/38/31/41/652383141.db2.gz KSIUNKFLMIZNCC-ZDUSSCGKSA-N 1 0 379.869 2.437 20 30 GEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000663310895 652493112 /nfs/dbraw/zinc/49/31/12/652493112.db2.gz YPTWEYXZYTUQEB-MRVPVSSYSA-N 1 0 384.273 2.234 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000756548971 652500740 /nfs/dbraw/zinc/50/07/40/652500740.db2.gz CULAYANWQNUFNJ-MRXNPFEDSA-N 1 0 393.281 2.210 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000592387630 652592817 /nfs/dbraw/zinc/59/28/17/652592817.db2.gz ZJVOLZZTSUVHDG-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667506194 652609332 /nfs/dbraw/zinc/60/93/32/652609332.db2.gz NIBXGMBMXASKJC-CYBMUJFWSA-N 1 0 396.285 2.211 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000593732833 652634004 /nfs/dbraw/zinc/63/40/04/652634004.db2.gz PVFDIMBIZNZMSG-XKQJLSEDSA-N 1 0 383.901 2.261 20 30 GEEDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1CC[NH3+] ZINC000593738208 652634294 /nfs/dbraw/zinc/63/42/94/652634294.db2.gz XLRBGDCVBRDBCP-BXUZGUMPSA-N 1 0 386.315 2.459 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000594440816 652650007 /nfs/dbraw/zinc/65/00/07/652650007.db2.gz ZXNUZNNIPQIGHF-OAHLLOKOSA-N 1 0 395.301 2.096 20 30 GEEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000668911151 652675551 /nfs/dbraw/zinc/67/55/51/652675551.db2.gz PJCHPDFHUYRPQH-SFHVURJKSA-N 1 0 397.313 2.346 20 30 GEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cc(Br)ncc1F ZINC000762421733 652689275 /nfs/dbraw/zinc/68/92/75/652689275.db2.gz KOFGCBOKESAJHZ-UHFFFAOYSA-N 1 0 376.299 2.123 20 30 GEEDRO COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Br ZINC000595255961 652710663 /nfs/dbraw/zinc/71/06/63/652710663.db2.gz HHODRERUNBMWSP-UONOGXRCSA-N 1 0 382.258 2.191 20 30 GEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595258876 652711781 /nfs/dbraw/zinc/71/17/81/652711781.db2.gz FSWJXDSOMVUKRA-SECBINFHSA-N 1 0 383.193 2.127 20 30 GEEDRO C[C@H](CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[NH+](C)C ZINC000597994553 652795808 /nfs/dbraw/zinc/79/58/08/652795808.db2.gz ZZJNWLULJCBXGU-GFCCVEGCSA-N 1 0 379.302 2.213 20 30 GEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000598720160 652831622 /nfs/dbraw/zinc/83/16/22/652831622.db2.gz KTHRJTMPHIZDIT-OAHLLOKOSA-N 1 0 382.302 2.459 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000772110204 653139456 /nfs/dbraw/zinc/13/94/56/653139456.db2.gz OPBMPYIGIJZEMB-HNNXBMFYSA-N 1 0 397.244 2.003 20 30 GEEDRO C=C(Br)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769077885 653142406 /nfs/dbraw/zinc/14/24/06/653142406.db2.gz SVZOCBOFLUHFSM-HZPDHXFCSA-N 1 0 382.302 2.077 20 30 GEEDRO CSCCNC(=S)NN=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000769598880 653165499 /nfs/dbraw/zinc/16/54/99/653165499.db2.gz LCVILXCXNLIBPY-UHFFFAOYSA-N 1 0 385.990 2.253 20 30 GEEDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)CC2(C#N)CCOCC2)c(C)s1 ZINC000602575282 653192211 /nfs/dbraw/zinc/19/22/11/653192211.db2.gz RRSPCVMEAMBYAP-CYBMUJFWSA-N 1 0 385.555 2.332 20 30 GEEDRO C[C@@](C#N)(NC(=O)CN1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602881136 653211258 /nfs/dbraw/zinc/21/12/58/653211258.db2.gz IFRFGJUKLSOWSS-YOEHRIQHSA-N 1 0 393.285 2.106 20 30 GEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000774961578 653275136 /nfs/dbraw/zinc/27/51/36/653275136.db2.gz GWUQFVZVJKOZCL-OAHLLOKOSA-N 1 0 382.302 2.211 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826842 653338136 /nfs/dbraw/zinc/33/81/36/653338136.db2.gz QDWNTZHRDDGAPW-HUUCEWRRSA-N 1 0 378.270 2.395 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823606 653338238 /nfs/dbraw/zinc/33/82/38/653338238.db2.gz BFZZVIAGYGNCAK-JKSUJKDBSA-N 1 0 378.270 2.395 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000836282352 653342613 /nfs/dbraw/zinc/34/26/13/653342613.db2.gz LAGYOPGPGKDICX-ULQDDVLXSA-N 1 0 392.297 2.286 20 30 GEEDRO C#C[C@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000836349315 653346239 /nfs/dbraw/zinc/34/62/39/653346239.db2.gz LDOYJHCXUPCGFE-YOEHRIQHSA-N 1 0 393.329 2.059 20 30 GEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(I)cc1Cl ZINC000876801378 653448622 /nfs/dbraw/zinc/44/86/22/653448622.db2.gz BSBUPMRQELXQPZ-QPUJVOFHSA-N 1 0 389.624 2.094 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000876877707 653451509 /nfs/dbraw/zinc/45/15/09/653451509.db2.gz FLXRYHZZPWLXND-HNNXBMFYSA-N 1 0 382.295 2.102 20 30 GEEDRO CC(C)(O)C[NH+]1CCC(N=Nc2nc(Br)cn3ccnc23)CC1 ZINC000814223933 653625273 /nfs/dbraw/zinc/62/52/73/653625273.db2.gz WBVYCWJECBTWCD-UHFFFAOYSA-N 1 0 381.278 2.126 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+]1CCCCC1 ZINC000780721247 653631543 /nfs/dbraw/zinc/63/15/43/653631543.db2.gz YQGBGNNSYZJZSY-LBPRGKRZSA-N 1 0 386.315 2.473 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000815860764 653667011 /nfs/dbraw/zinc/66/70/11/653667011.db2.gz ZIRVUVGGBZSXMC-UHFFFAOYSA-N 1 0 380.286 2.076 20 30 GEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000840951874 653703459 /nfs/dbraw/zinc/70/34/59/653703459.db2.gz KUQOBUPUAYPJCZ-UHFFFAOYSA-N 1 0 389.290 2.354 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142522 653707566 /nfs/dbraw/zinc/70/75/66/653707566.db2.gz RHBGYSQZWRYUMH-WRWORJQWSA-N 1 0 390.612 2.178 20 30 GEEDRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841176677 653709211 /nfs/dbraw/zinc/70/92/11/653709211.db2.gz MPUZNQNZVVRDME-SMDDNHRTSA-N 1 0 397.273 2.097 20 30 GEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000863563219 653715654 /nfs/dbraw/zinc/71/56/54/653715654.db2.gz OURHGVYDIPKQBD-SJORKVTESA-N 1 0 391.265 2.384 20 30 GEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)CCOCC1 ZINC000863564000 653715687 /nfs/dbraw/zinc/71/56/87/653715687.db2.gz SFOWWDHQPYXPPR-BBRMVZONSA-N 1 0 383.286 2.143 20 30 GEEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000863835097 653721503 /nfs/dbraw/zinc/72/15/03/653721503.db2.gz QWZOWLIAMSSSPW-LBPRGKRZSA-N 1 0 375.947 2.021 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000818595907 653734451 /nfs/dbraw/zinc/73/44/51/653734451.db2.gz RVILEARCRYVRKM-UHFFFAOYSA-N 1 0 375.270 2.320 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000818606621 653734827 /nfs/dbraw/zinc/73/48/27/653734827.db2.gz ZUAZTWXNQHHJKT-UHFFFAOYSA-N 1 0 393.260 2.459 20 30 GEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Br)ccc2C)c1C#N ZINC000787992218 653747287 /nfs/dbraw/zinc/74/72/87/653747287.db2.gz YCOOYUYYVUCYCX-UHFFFAOYSA-N 1 0 377.246 2.152 20 30 GEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000882144055 653765627 /nfs/dbraw/zinc/76/56/27/653765627.db2.gz ATUBMLJBHDUIFG-CJNGLKHVSA-N 1 0 378.318 2.178 20 30 GEEDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000790039703 653785513 /nfs/dbraw/zinc/78/55/13/653785513.db2.gz NZMYWAIAOJHYEE-UHFFFAOYSA-N 1 0 382.873 2.354 20 30 GEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460363 653787416 /nfs/dbraw/zinc/78/74/16/653787416.db2.gz OAKLNYWTPMXBFG-IUODEOHRSA-N 1 0 388.269 2.093 20 30 GEEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CCO1 ZINC000883118170 653829136 /nfs/dbraw/zinc/82/91/36/653829136.db2.gz PRSLMVKDNWGIOJ-LBPRGKRZSA-N 1 0 396.289 2.290 20 30 GEEDRO C#CC[C@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000883124660 653829627 /nfs/dbraw/zinc/82/96/27/653829627.db2.gz MGNOUHWDZVOILD-MRXNPFEDSA-N 1 0 379.298 2.336 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCOc3cccc(Br)c3C1)C2 ZINC000884391142 653875151 /nfs/dbraw/zinc/87/51/51/653875151.db2.gz RQZVRXNPLYLFJW-XYEKJYRLSA-N 1 0 390.281 2.309 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000884435782 653876777 /nfs/dbraw/zinc/87/67/77/653876777.db2.gz JXNJVRSUJOXMGH-CSJGVYOVSA-N 1 0 384.224 2.483 20 30 GEEDRO C=C(Br)CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823873112 653881947 /nfs/dbraw/zinc/88/19/47/653881947.db2.gz ITTZVEBFLUVUED-UHFFFAOYSA-N 1 0 377.290 2.329 20 30 GEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662497 653994296 /nfs/dbraw/zinc/99/42/96/653994296.db2.gz FOAHSCOQMAECNQ-NWDGAFQWSA-N 1 0 390.336 2.389 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202873 654023280 /nfs/dbraw/zinc/02/32/80/654023280.db2.gz FRGUOGPDKBSZBG-WRWORJQWSA-N 1 0 388.063 2.445 20 30 GEEDRO C[NH+](C)CCn1nccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000900464473 654065578 /nfs/dbraw/zinc/06/55/78/654065578.db2.gz NMGXCWJSLBQHJU-CQSZACIVSA-N 1 0 376.258 2.202 20 30 GEEDRO C#CCN1CCC[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000829582131 654073081 /nfs/dbraw/zinc/07/30/81/654073081.db2.gz JCSGBKFXFZCAQL-GXTWGEPZSA-N 1 0 390.281 2.089 20 30 GEEDRO C#CCN1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000829582646 654073169 /nfs/dbraw/zinc/07/31/69/654073169.db2.gz ORVUOHDJSCUWAR-HIFRSBDPSA-N 1 0 390.281 2.089 20 30 GEEDRO CC(C)[NH+]1CCC(NC(=O)CON=C(N)c2ccc(Br)cc2)CC1 ZINC000902325524 654174160 /nfs/dbraw/zinc/17/41/60/654174160.db2.gz LDLVMRTVCPLMTN-UHFFFAOYSA-N 1 0 397.317 2.075 20 30 GEEDRO C#CCN(CN1Cc2ccc(Br)cc2C1=O)C1CC[NH+](C)CC1 ZINC000902537564 654182637 /nfs/dbraw/zinc/18/26/37/654182637.db2.gz BNZSIDMZBAKPPO-UHFFFAOYSA-N 1 0 376.298 2.392 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Br ZINC000903485663 654240750 /nfs/dbraw/zinc/24/07/50/654240750.db2.gz CWBPSEJDEMNXDK-UHFFFAOYSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000903498629 654241995 /nfs/dbraw/zinc/24/19/95/654241995.db2.gz HEPWYVDNKXCYOG-ZDUSSCGKSA-N 1 0 398.326 2.331 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1Br ZINC000903530707 654250714 /nfs/dbraw/zinc/25/07/14/654250714.db2.gz IVMUTBIOLVGDME-WFASDCNBSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000903530705 654250758 /nfs/dbraw/zinc/25/07/58/654250758.db2.gz IVMUTBIOLVGDME-IUODEOHRSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903530781 654250804 /nfs/dbraw/zinc/25/08/04/654250804.db2.gz COZLHIKLZKNBSL-IAQYHMDHSA-N 1 0 384.299 2.213 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903571712 654258307 /nfs/dbraw/zinc/25/83/07/654258307.db2.gz NLUWAIFSNSKYGH-SUMWQHHRSA-N 1 0 375.475 2.154 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000852887763 654265757 /nfs/dbraw/zinc/26/57/57/654265757.db2.gz BDEOLMBFTQIOHH-INIZCTEOSA-N 1 0 380.275 2.218 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853692650 654315654 /nfs/dbraw/zinc/31/56/54/654315654.db2.gz XAEGXHWRSUGIEA-UHFFFAOYSA-N 1 0 394.313 2.312 20 30 GEEDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921834929 654329409 /nfs/dbraw/zinc/32/94/09/654329409.db2.gz ZEKWDIQKECRRKF-DOMZBBRYSA-N 1 0 386.315 2.128 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488209 654329450 /nfs/dbraw/zinc/32/94/50/654329450.db2.gz AIVOWNQDIGGSTK-XHDPSFHLSA-N 1 0 390.237 2.462 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489170 654329919 /nfs/dbraw/zinc/32/99/19/654329919.db2.gz KEIQRVRJYSOLLK-XHDPSFHLSA-N 1 0 390.237 2.462 20 30 GEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968902 654349354 /nfs/dbraw/zinc/34/93/54/654349354.db2.gz HGESAORQYJTBLA-GDBMZVCRSA-N 1 0 399.310 2.147 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000922024299 654356382 /nfs/dbraw/zinc/35/63/82/654356382.db2.gz OQJDDHDNRAAJGY-UHFFFAOYSA-N 1 0 385.327 2.308 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000922023928 654356409 /nfs/dbraw/zinc/35/64/09/654356409.db2.gz XORKEKLRLXHOCK-UHFFFAOYSA-N 1 0 396.310 2.039 20 30 GEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835139893 654364220 /nfs/dbraw/zinc/36/42/20/654364220.db2.gz MOTJCNJFRKZMEI-AWEZNQCLSA-N 1 0 377.238 2.340 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000855106031 654396919 /nfs/dbraw/zinc/39/69/19/654396919.db2.gz IDPZTGCSXYRHBJ-SFHVURJKSA-N 1 0 379.298 2.118 20 30 GEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907318799 654531284 /nfs/dbraw/zinc/53/12/84/654531284.db2.gz NMWGTILLMRMUEL-NHYWBVRUSA-N 1 0 384.299 2.035 20 30 GEEDRO CCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907347884 654534602 /nfs/dbraw/zinc/53/46/02/654534602.db2.gz VVVINKRJUKQDMM-INIZCTEOSA-N 1 0 384.571 2.291 20 30 GEEDRO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942406 654795063 /nfs/dbraw/zinc/79/50/63/654795063.db2.gz HDMNSXLZDHIBHD-BKPPORCPSA-N 1 0 385.251 2.013 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913516866 654796678 /nfs/dbraw/zinc/79/66/78/654796678.db2.gz JVXHNRXCVXKIMT-INIZCTEOSA-N 1 0 382.291 2.279 20 30 GEEDRO C[NH+](C)CC#CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000913518090 654797096 /nfs/dbraw/zinc/79/70/96/654797096.db2.gz DDULWZGRYDGCFU-UHFFFAOYSA-N 1 0 379.298 2.179 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437371 654813198 /nfs/dbraw/zinc/81/31/98/654813198.db2.gz NATXTAXUFHXTCY-QGZVFWFLSA-N 1 0 382.302 2.094 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164683474 719719069 /nfs/dbraw/zinc/71/90/69/719719069.db2.gz ACFWRQFUEATPOA-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164685429 719722546 /nfs/dbraw/zinc/72/25/46/719722546.db2.gz KQZSMMSMVZXKNI-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164685702 719723280 /nfs/dbraw/zinc/72/32/80/719723280.db2.gz NFJCTNXIVRDYSA-UHFFFAOYSA-N 1 0 397.857 2.332 20 30 GEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001164830321 720333155 /nfs/dbraw/zinc/33/31/55/720333155.db2.gz POBJSGLFBFURCS-MOPGFXCFSA-N 1 0 392.507 2.346 20 30 GEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748652 720854671 /nfs/dbraw/zinc/85/46/71/720854671.db2.gz LGZKLNFJVZSSAH-SLFFLAALSA-N 1 0 377.496 2.233 20 30 GEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@H]3C2)cn1 ZINC001164769882 721127152 /nfs/dbraw/zinc/12/71/52/721127152.db2.gz PXTGGJFGQONMHB-WMLDXEAASA-N 1 0 381.871 2.170 20 30 GEEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890792 721427174 /nfs/dbraw/zinc/42/71/74/721427174.db2.gz FUQXMSUXEQEFEB-AZUAARDMSA-N 1 0 389.931 2.372 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(C#N)n1)CC2 ZINC001164786403 721453856 /nfs/dbraw/zinc/45/38/56/721453856.db2.gz MJLJISHZIMKUAL-IBGZPJMESA-N 1 0 385.512 2.082 20 30 GEEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164787629 721464451 /nfs/dbraw/zinc/46/44/51/721464451.db2.gz RRTREVDSPNFPEU-FQEVSTJZSA-N 1 0 399.539 2.277 20 30 GEEDRO N#Cc1nc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974541 722105770 /nfs/dbraw/zinc/10/57/70/722105770.db2.gz AFWFNLOTBWXHQD-WBVHZDCISA-N 1 0 384.871 2.124 20 30 GEEDRO C=CCOC[C@@H]1CCC[C@]12CN(c1cccc(N3CC[NH+](C)CC3)n1)CCO2 ZINC001164974623 722168593 /nfs/dbraw/zinc/16/85/93/722168593.db2.gz GKYKACFOLHHINW-UGKGYDQZSA-N 1 0 386.540 2.412 20 30 GEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155268167 531670977 /nfs/dbraw/zinc/67/09/77/531670977.db2.gz CVANRGSWDMDVNP-CQSZACIVSA-N 1 0 386.315 2.426 20 30 GEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161637 531661323 /nfs/dbraw/zinc/66/13/23/531661323.db2.gz XJKVQDVDHHVLLL-CYBMUJFWSA-N 1 0 392.297 2.238 20 30 GEEDRO C[NH+]=C(NCC1CCN(C(C)=O)CC1)N(C)Cc1cc(Br)cn1C ZINC000159477776 531783059 /nfs/dbraw/zinc/78/30/59/531783059.db2.gz WOZQHAYGXZOTKV-UHFFFAOYSA-N 1 0 398.349 2.053 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000120246481 531978239 /nfs/dbraw/zinc/97/82/39/531978239.db2.gz OPTOVDYOQYXONK-INIZCTEOSA-N 1 0 377.286 2.064 20 30 GEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000122476488 532071314 /nfs/dbraw/zinc/07/13/14/532071314.db2.gz PSYNCPFEKICEIC-BBRMVZONSA-N 1 0 398.326 2.426 20 30 GEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736569 532075245 /nfs/dbraw/zinc/07/52/45/532075245.db2.gz UYQSVMIQSSCXSP-SWLSCSKDSA-N 1 0 383.279 2.084 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000175451344 532103586 /nfs/dbraw/zinc/10/35/86/532103586.db2.gz LBXSLHZLHJDPME-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO O=C(NCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1N=CC=CC1=O ZINC000180866136 532284730 /nfs/dbraw/zinc/28/47/30/532284730.db2.gz SGVMRFZSFZIDAK-BQASMSSTSA-N 1 0 390.281 2.422 20 30 GEEDRO CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182866181 532319146 /nfs/dbraw/zinc/31/91/46/532319146.db2.gz YTYMQMMLPNPMRX-CVEARBPZSA-N 1 0 378.567 2.284 20 30 GEEDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000188214217 532347383 /nfs/dbraw/zinc/34/73/83/532347383.db2.gz NQDKQMIDJRDQOW-GFCCVEGCSA-N 1 0 386.315 2.473 20 30 GEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000425218049 532374386 /nfs/dbraw/zinc/37/43/86/532374386.db2.gz WVBBEKONKSKCOE-SWLSCSKDSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000590666698 532380407 /nfs/dbraw/zinc/38/04/07/532380407.db2.gz OOZNTODSKUYLQN-AWEZNQCLSA-N 1 0 378.270 2.300 20 30 GEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000294860631 532387592 /nfs/dbraw/zinc/38/75/92/532387592.db2.gz SYYYHGMOXOBYAD-BXUZGUMPSA-N 1 0 393.285 2.200 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000623351900 532387810 /nfs/dbraw/zinc/38/78/10/532387810.db2.gz IJJGVBATXAUYKV-UHFFFAOYSA-N 1 0 388.917 2.427 20 30 GEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)c(Br)c1)CC[NH2+]CC2 ZINC000591667418 532418706 /nfs/dbraw/zinc/41/87/06/532418706.db2.gz PSUDLEYJUPREKO-LBPRGKRZSA-N 1 0 398.326 2.473 20 30 GEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccc(Br)c1C#N)CC[NH2+]CC2 ZINC000591667585 532418080 /nfs/dbraw/zinc/41/80/80/532418080.db2.gz XSOASKDQTCZKMU-GFCCVEGCSA-N 1 0 398.326 2.473 20 30 GEEDRO Cc1c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)ccc(Br)c1C#N ZINC000591874224 532428084 /nfs/dbraw/zinc/42/80/84/532428084.db2.gz BICYEZLQEWGWTO-UHFFFAOYSA-N 1 0 395.301 2.368 20 30 GEEDRO C[NH+](C)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 ZINC000592790712 532464452 /nfs/dbraw/zinc/46/44/52/532464452.db2.gz BDKGSHGGNKKDJW-UHFFFAOYSA-N 1 0 391.313 2.357 20 30 GEEDRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCOCC1 ZINC000593470926 532483914 /nfs/dbraw/zinc/48/39/14/532483914.db2.gz OTEYTOXBPQMECF-UHFFFAOYSA-N 1 0 380.286 2.090 20 30 GEEDRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1[NH+](C)C ZINC000593560337 532488597 /nfs/dbraw/zinc/48/85/97/532488597.db2.gz DPUFUYYAIJLSPD-LSDHHAIUSA-N 1 0 382.327 2.367 20 30 GEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000526055906 532537632 /nfs/dbraw/zinc/53/76/32/532537632.db2.gz GPMXSMINBDWYLC-LBPRGKRZSA-N 1 0 380.290 2.233 20 30 GEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000526055905 532537810 /nfs/dbraw/zinc/53/78/10/532537810.db2.gz GPMXSMINBDWYLC-GFCCVEGCSA-N 1 0 380.290 2.233 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722898 532570306 /nfs/dbraw/zinc/57/03/06/532570306.db2.gz MSMVRNUSECFFLW-UHFFFAOYSA-N 1 0 379.302 2.333 20 30 GEEDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595345444 532557681 /nfs/dbraw/zinc/55/76/81/532557681.db2.gz PEDPODOLBSSVQT-ZDUSSCGKSA-N 1 0 386.315 2.426 20 30 GEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000566109767 532592896 /nfs/dbraw/zinc/59/28/96/532592896.db2.gz UAIXEZGEYQRXAH-CYBMUJFWSA-N 1 0 392.244 2.346 20 30 GEEDRO Cn1c(Sc2ncc(Br)cc2C#N)nnc1C1CC[NH2+]CC1 ZINC000297316106 532581711 /nfs/dbraw/zinc/58/17/11/532581711.db2.gz ZHNKZTRNBOKQAV-UHFFFAOYSA-N 1 0 379.287 2.462 20 30 GEEDRO C[NH+]=C(NCCc1ccc(I)s1)NC[C@@H]1CCOC1 ZINC000262686312 532597751 /nfs/dbraw/zinc/59/77/51/532597751.db2.gz AQADDWGSMQRFJE-JTQLQIEISA-N 1 0 393.294 2.097 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297917361 532612512 /nfs/dbraw/zinc/61/25/12/532612512.db2.gz SZMIWDHCDOGRAC-CQSZACIVSA-N 1 0 379.913 2.389 20 30 GEEDRO CC[NH+]=C(NCCc1ccc(Br)s1)N1CCN(C(C)=O)CC1 ZINC000263249624 532622014 /nfs/dbraw/zinc/62/20/14/532622014.db2.gz OLGUFDUYSGJIOV-UHFFFAOYSA-N 1 0 387.347 2.183 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000408435100 532718320 /nfs/dbraw/zinc/71/83/20/532718320.db2.gz LDDYPYGOQOMNSW-HUUCEWRRSA-N 1 0 384.299 2.226 20 30 GEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000286267143 532737360 /nfs/dbraw/zinc/73/73/60/532737360.db2.gz FYIVJVLOXFSRRT-GJZGRUSLSA-N 1 0 383.901 2.085 20 30 GEEDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000451220914 532762342 /nfs/dbraw/zinc/76/23/42/532762342.db2.gz SJMDOZMXPNGRPH-GFCCVEGCSA-N 1 0 380.286 2.238 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000411142947 532748695 /nfs/dbraw/zinc/74/86/95/532748695.db2.gz LODTUWHKTYGNCY-LLVKDONJSA-N 1 0 384.274 2.019 20 30 GEEDRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329499834 532807745 /nfs/dbraw/zinc/80/77/45/532807745.db2.gz YDBQMULOMAIDEW-CYBMUJFWSA-N 1 0 396.285 2.414 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000272475199 532816078 /nfs/dbraw/zinc/81/60/78/532816078.db2.gz UHTVJWPWANXGSI-IUODEOHRSA-N 1 0 384.299 2.035 20 30 GEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000330248428 532816150 /nfs/dbraw/zinc/81/61/50/532816150.db2.gz ZIDJLAKUMAMUBH-NSHDSACASA-N 1 0 393.285 2.253 20 30 GEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000330563707 532821087 /nfs/dbraw/zinc/82/10/87/532821087.db2.gz JFVCUHREEKGNFF-DLBZAZTESA-N 1 0 391.313 2.252 20 30 GEEDRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)C[NH+]1CCCC1 ZINC000330677179 532824803 /nfs/dbraw/zinc/82/48/03/532824803.db2.gz VBGOOGPRFMSWIM-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1I ZINC000331291639 532837021 /nfs/dbraw/zinc/83/70/21/532837021.db2.gz BLXUCBRJSUCIAQ-GFCCVEGCSA-N 1 0 388.249 2.443 20 30 GEEDRO C=CCOc1c(Br)cc(CNC[C@H]2C[NH2+]CCCO2)cc1OC ZINC000415041652 532837262 /nfs/dbraw/zinc/83/72/62/532837262.db2.gz PRDUSPXKKDAZKM-CQSZACIVSA-N 1 0 385.302 2.491 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000288760907 532837489 /nfs/dbraw/zinc/83/74/89/532837489.db2.gz KXETVQRXWAYFJB-MFKMUULPSA-N 1 0 391.269 2.001 20 30 GEEDRO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCn1cc(Br)cn1 ZINC000288829885 532839611 /nfs/dbraw/zinc/83/96/11/532839611.db2.gz NUUMPMRRDLBPCX-UHFFFAOYSA-N 1 0 376.258 2.478 20 30 GEEDRO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415329507 532841943 /nfs/dbraw/zinc/84/19/43/532841943.db2.gz QTXMHTVPPCSMFP-UHFFFAOYSA-N 1 0 396.285 2.163 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288948932 532843002 /nfs/dbraw/zinc/84/30/02/532843002.db2.gz WXNPFWSHYGNVGU-OCCSQVGLSA-N 1 0 393.285 2.248 20 30 GEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000415483748 532846908 /nfs/dbraw/zinc/84/69/08/532846908.db2.gz HAYQMAWAIQZTGO-CQSZACIVSA-N 1 0 381.274 2.091 20 30 GEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000415682980 532853635 /nfs/dbraw/zinc/85/36/35/532853635.db2.gz YYOLRXCMUANDCW-CQSZACIVSA-N 1 0 393.285 2.154 20 30 GEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000333039001 532862778 /nfs/dbraw/zinc/86/27/78/532862778.db2.gz DSXIGTIYDIEZNA-KRWDZBQOSA-N 1 0 378.270 2.254 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333735211 532872929 /nfs/dbraw/zinc/87/29/29/532872929.db2.gz WVGWBKUVPUNZEW-PBHICJAKSA-N 1 0 383.901 2.119 20 30 GEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)nc1C ZINC000364202489 532904362 /nfs/dbraw/zinc/90/43/62/532904362.db2.gz UELVOIPAPABILA-QLJPJBMISA-N 1 0 376.511 2.123 20 30 GEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000366472197 532917808 /nfs/dbraw/zinc/91/78/08/532917808.db2.gz KVQODYJLWXPJPE-BBRMVZONSA-N 1 0 398.326 2.473 20 30 GEEDRO C[N@@H+]1CC[C@@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@@H]1c1cccs1 ZINC000367732458 532926738 /nfs/dbraw/zinc/92/67/38/532926738.db2.gz ZNHZVXNNGVACAF-SUMWQHHRSA-N 1 0 376.507 2.372 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000293939477 532933538 /nfs/dbraw/zinc/93/35/38/532933538.db2.gz IWALKLYRZFCWMP-UHFFFAOYSA-N 1 0 377.897 2.356 20 30 GEEDRO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000057154228 132449817 /nfs/dbraw/zinc/44/98/17/132449817.db2.gz MKYHCDQFJAXAJX-FQEVSTJZSA-N 1 0 375.476 2.266 20 30 GEEDRO CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000819773574 607252487 /nfs/dbraw/zinc/25/24/87/607252487.db2.gz VKKHIHVTWOFACB-UHFFFAOYSA-N 1 0 379.468 2.321 20 30 GEEDRO C(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000819718284 607253507 /nfs/dbraw/zinc/25/35/07/607253507.db2.gz DMULAIWSOQVCJE-UHFFFAOYSA-N 1 0 391.479 2.465 20 30 GEEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826159068 607491096 /nfs/dbraw/zinc/49/10/96/607491096.db2.gz OZADBUKSESDTNM-UHFFFAOYSA-N 1 0 378.436 2.396 20 30 GEEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822837349 606896132 /nfs/dbraw/zinc/89/61/32/606896132.db2.gz KSNINZBVRICCQF-HXUWFJFHSA-N 1 0 390.447 2.315 20 30 GEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449858841 650054021 /nfs/dbraw/zinc/05/40/21/650054021.db2.gz FTKBIGOPUCXRGY-OCCSQVGLSA-N 1 0 378.270 2.395 20 30 GEEDRO C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[N@@H+]1C1CC1 ZINC000450077993 650059556 /nfs/dbraw/zinc/05/95/56/650059556.db2.gz VOEXMISDSRMPEP-YPMHNXCESA-N 1 0 378.270 2.441 20 30 GEEDRO C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C[N@@H+]1C1CC1 ZINC000450074299 650059573 /nfs/dbraw/zinc/05/95/73/650059573.db2.gz KXBKXQMTEBBTAP-RYUDHWBXSA-N 1 0 378.270 2.441 20 30 GEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103233 650059975 /nfs/dbraw/zinc/05/99/75/650059975.db2.gz GFGSQUVKLBDSPQ-MEDUHNTESA-N 1 0 378.270 2.298 20 30 GEEDRO CS[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1[NH+](C)C ZINC000450266724 650063279 /nfs/dbraw/zinc/06/32/79/650063279.db2.gz STRBNXXGBMMATM-DZGCQCFKSA-N 1 0 398.326 2.204 20 30 GEEDRO CC(C)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000451161806 650091686 /nfs/dbraw/zinc/09/16/86/650091686.db2.gz JYAFSKIGHYOTLV-HNNXBMFYSA-N 1 0 380.286 2.498 20 30 GEEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451477860 650118998 /nfs/dbraw/zinc/11/89/98/650118998.db2.gz XYJVAVBEMHOFBN-OAHLLOKOSA-N 1 0 382.555 2.229 20 30 GEEDRO CC[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000454010337 650244907 /nfs/dbraw/zinc/24/49/07/650244907.db2.gz XOUABIHYLVJPNU-GFCCVEGCSA-N 1 0 393.285 2.202 20 30 GEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000454097741 650252936 /nfs/dbraw/zinc/25/29/36/650252936.db2.gz IBTPRNCXBSCRBB-UHFFFAOYSA-N 1 0 393.285 2.250 20 30 GEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(=O)(=O)NC)cs1)C(C)C ZINC000482296611 650663861 /nfs/dbraw/zinc/66/38/61/650663861.db2.gz NBRQFPIXJBIUEK-OAHLLOKOSA-N 1 0 385.555 2.085 20 30 GEEDRO CN1C2(CCC2)COC[C@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131531 650685780 /nfs/dbraw/zinc/68/57/80/650685780.db2.gz QNDVYPFSHRTBEE-QGZVFWFLSA-N 1 0 380.286 2.348 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486242243 650709990 /nfs/dbraw/zinc/70/99/90/650709990.db2.gz DWCGHOBHOJNWJP-QGZVFWFLSA-N 1 0 396.304 2.493 20 30 GEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000534833999 650781187 /nfs/dbraw/zinc/78/11/87/650781187.db2.gz WKEPACULJYLVRR-UHFFFAOYSA-N 1 0 392.257 2.419 20 30 GEEDRO CCn1cc(Br)cc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000535505417 650788139 /nfs/dbraw/zinc/78/81/39/650788139.db2.gz FGCONGFHNSOFJD-UHFFFAOYSA-N 1 0 379.262 2.270 20 30 GEEDRO COC[C@H](C)NC(=[NH2+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000104192095 643179529 /nfs/dbraw/zinc/17/95/29/643179529.db2.gz SNFXTFJMEITGCU-ZDUSSCGKSA-N 1 0 384.318 2.437 20 30 GEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000497763056 650840100 /nfs/dbraw/zinc/84/01/00/650840100.db2.gz KAVRCZVWFCNDBV-CABCVRRESA-N 1 0 391.269 2.002 20 30 GEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498113589 650848418 /nfs/dbraw/zinc/84/84/18/650848418.db2.gz HMPQJJSNMMIQFB-LLVKDONJSA-N 1 0 381.274 2.106 20 30 GEEDRO N#Cc1cccc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000127403344 643775488 /nfs/dbraw/zinc/77/54/88/643775488.db2.gz RZMXKGXHNUYBPA-UHFFFAOYSA-N 1 0 379.551 2.339 20 30 GEEDRO C[NH+]=C(NCc1nccs1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000152794722 643974015 /nfs/dbraw/zinc/97/40/15/643974015.db2.gz KLMVPUBTNONOBE-UHFFFAOYSA-N 1 0 377.901 2.216 20 30 GEEDRO C=C(Br)CNC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000154355324 644037957 /nfs/dbraw/zinc/03/79/57/644037957.db2.gz ONVXWTINYQZWOB-AWEZNQCLSA-N 1 0 398.301 2.486 20 30 GEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320378 644142876 /nfs/dbraw/zinc/14/28/76/644142876.db2.gz WUBATGQPYJDGDY-CQSZACIVSA-N 1 0 379.507 2.449 20 30 GEEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N1CCO[C@H](COC)C1 ZINC000179265000 644454461 /nfs/dbraw/zinc/45/44/61/644454461.db2.gz KIEQFIHAJICBEA-INIZCTEOSA-N 1 0 396.329 2.403 20 30 GEEDRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000194700685 645343554 /nfs/dbraw/zinc/34/35/54/645343554.db2.gz NXGBZWPPQBMTQE-CYBMUJFWSA-N 1 0 396.285 2.309 20 30 GEEDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC[C@H]1CCCO1 ZINC000245399864 645453157 /nfs/dbraw/zinc/45/31/57/645453157.db2.gz XDYUCQJQFUDGMK-CZUORRHYSA-N 1 0 381.318 2.359 20 30 GEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)N(C)C[C@@H]1CCOC1 ZINC000261619304 645590988 /nfs/dbraw/zinc/59/09/88/645590988.db2.gz HMLSOMZNEROWPV-NSHDSACASA-N 1 0 384.274 2.222 20 30 GEEDRO C[NH+]=C(NCc1cccnc1OC)N(C)Cc1cc(Br)cn1C ZINC000261716139 645595939 /nfs/dbraw/zinc/59/59/39/645595939.db2.gz HVSCARLIUKFILQ-UHFFFAOYSA-N 1 0 380.290 2.399 20 30 GEEDRO CNC(=O)CC1CCN(C(NCc2ccc(Br)s2)=[NH+]C)CC1 ZINC000261815470 645603083 /nfs/dbraw/zinc/60/30/83/645603083.db2.gz TXCCXQHIQQPYFA-UHFFFAOYSA-N 1 0 387.347 2.434 20 30 GEEDRO CC[NH+]=C(NCc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942720 645613869 /nfs/dbraw/zinc/61/38/69/645613869.db2.gz DYFBAPJPDVAZHL-UHFFFAOYSA-N 1 0 375.897 2.454 20 30 GEEDRO CCC1(CC)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)CCS1 ZINC000262475994 645631928 /nfs/dbraw/zinc/63/19/28/645631928.db2.gz ZSTIFFQJBXAJEG-OAHLLOKOSA-N 1 0 375.604 2.383 20 30 GEEDRO CCn1c(CNC(=[NH2+])N2CCO[C@H](C)C2)nc2cc(Br)ccc21 ZINC000262495681 645633720 /nfs/dbraw/zinc/63/37/20/645633720.db2.gz WHZHTESERINWGY-LLVKDONJSA-N 1 0 380.290 2.354 20 30 GEEDRO CN1CC[NH+]=C1NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000262682991 645641562 /nfs/dbraw/zinc/64/15/62/645641562.db2.gz XAICZTOSFBBQOR-OAHLLOKOSA-N 1 0 398.292 2.147 20 30 GEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262775501 645645099 /nfs/dbraw/zinc/64/50/99/645645099.db2.gz JESQIKURIUOCFG-CQSZACIVSA-N 1 0 395.345 2.498 20 30 GEEDRO C[NH+]=C(NCCn1ccnc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262864096 645647421 /nfs/dbraw/zinc/64/74/21/645647421.db2.gz BRNNEQZSDHVGDV-HNNXBMFYSA-N 1 0 391.317 2.090 20 30 GEEDRO C[NH+]=C(NCCn1ccnc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262864100 645647581 /nfs/dbraw/zinc/64/75/81/645647581.db2.gz BRNNEQZSDHVGDV-OAHLLOKOSA-N 1 0 391.317 2.090 20 30 GEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCn1cc(Br)ccc1=O ZINC000263030874 645650831 /nfs/dbraw/zinc/65/08/31/645650831.db2.gz BHVBUZHNNUHAFG-UHFFFAOYSA-N 1 0 377.286 2.318 20 30 GEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000266937205 645865776 /nfs/dbraw/zinc/86/57/76/645865776.db2.gz AHXMQPCVGJMPMD-UHFFFAOYSA-N 1 0 385.917 2.379 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275487717 646356730 /nfs/dbraw/zinc/35/67/30/646356730.db2.gz ORIGRSZJIAZQOU-CABCVRRESA-N 1 0 385.942 2.412 20 30 GEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000281282900 646758791 /nfs/dbraw/zinc/75/87/91/646758791.db2.gz IWGZPDTUNZWOMM-HNNXBMFYSA-N 1 0 380.286 2.496 20 30 GEEDRO COC(=O)c1cn(CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000284115824 646834715 /nfs/dbraw/zinc/83/47/15/646834715.db2.gz SWEMDGIDUHQIHL-SECBINFHSA-N 1 0 385.255 2.037 20 30 GEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C ZINC000293049581 647213385 /nfs/dbraw/zinc/21/33/85/647213385.db2.gz NXSDVTJVADUFHF-AWEZNQCLSA-N 1 0 395.301 2.352 20 30 GEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[NH+](C)C ZINC000293049582 647213455 /nfs/dbraw/zinc/21/34/55/647213455.db2.gz NXSDVTJVADUFHF-CQSZACIVSA-N 1 0 395.301 2.352 20 30 GEEDRO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CCO1 ZINC000329642481 647322314 /nfs/dbraw/zinc/32/23/14/647322314.db2.gz YIFVDTBAZAUMEK-OAHLLOKOSA-N 1 0 398.301 2.060 20 30 GEEDRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000330711363 647347737 /nfs/dbraw/zinc/34/77/37/647347737.db2.gz UUMGZSQFDUMMOX-VXGBXAGGSA-N 1 0 386.290 2.390 20 30 GEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccncc1I ZINC000330720194 647348823 /nfs/dbraw/zinc/34/88/23/647348823.db2.gz BPMJCIYLFBRFMU-NSHDSACASA-N 1 0 388.253 2.308 20 30 GEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331200732 647369490 /nfs/dbraw/zinc/36/94/90/647369490.db2.gz ALYWHYWHXFGPAE-CHWSQXEVSA-N 1 0 386.315 2.472 20 30 GEEDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331200733 647369696 /nfs/dbraw/zinc/36/96/96/647369696.db2.gz ALYWHYWHXFGPAE-OLZOCXBDSA-N 1 0 386.315 2.472 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000333632410 647477281 /nfs/dbraw/zinc/47/72/81/647477281.db2.gz GVBYZKCCFSGORC-IRXDYDNUSA-N 1 0 383.901 2.119 20 30 GEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000361694609 647562795 /nfs/dbraw/zinc/56/27/95/647562795.db2.gz ATSPZVXHCSYVLG-BZUAXINKSA-N 1 0 383.901 2.084 20 30 GEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786348 647704061 /nfs/dbraw/zinc/70/40/61/647704061.db2.gz FIUFRWZERBXZCR-CXAGYDPISA-N 1 0 376.507 2.376 20 30 GEEDRO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367577615 647739576 /nfs/dbraw/zinc/73/95/76/647739576.db2.gz CZCGACBOWJNVPX-HZPDHXFCSA-N 1 0 393.285 2.384 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769923 647744161 /nfs/dbraw/zinc/74/41/61/647744161.db2.gz COMSPQLCGSJTQQ-FZMZJTMJSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000369629371 647780666 /nfs/dbraw/zinc/78/06/66/647780666.db2.gz MFNOAZKLMMEVIX-ABAIWWIYSA-N 1 0 384.299 2.035 20 30 GEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000369629373 647780676 /nfs/dbraw/zinc/78/06/76/647780676.db2.gz MFNOAZKLMMEVIX-NHYWBVRUSA-N 1 0 384.299 2.035 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000408395028 647951902 /nfs/dbraw/zinc/95/19/02/647951902.db2.gz LXATWANXXCYHOQ-LSDHHAIUSA-N 1 0 384.299 2.226 20 30 GEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416495645 648148968 /nfs/dbraw/zinc/14/89/68/648148968.db2.gz MVOKLMOPFDMHTM-CQSZACIVSA-N 1 0 386.315 2.424 20 30 GEEDRO C[N@H+](CCCCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC1 ZINC000416510403 648154042 /nfs/dbraw/zinc/15/40/42/648154042.db2.gz XPCGYDKWJGWWFB-UHFFFAOYSA-N 1 0 386.315 2.473 20 30 GEEDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000416558212 648170822 /nfs/dbraw/zinc/17/08/22/648170822.db2.gz OTPUVGTUDRMSMJ-LBPRGKRZSA-N 1 0 386.315 2.331 20 30 GEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419750333 648374807 /nfs/dbraw/zinc/37/48/07/648374807.db2.gz RLWAAMFYJWZGMK-GFCCVEGCSA-N 1 0 395.301 2.496 20 30 GEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)CC1 ZINC000425720264 648690798 /nfs/dbraw/zinc/69/07/98/648690798.db2.gz DLDWJHWOBWQJLE-UHFFFAOYSA-N 1 0 393.285 2.168 20 30 GEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551406130 651124097 /nfs/dbraw/zinc/12/40/97/651124097.db2.gz GUWWLELGPHGYNF-UHFFFAOYSA-N 1 0 379.302 2.333 20 30 GEEDRO C[N@H+](Cc1ccc(Br)cc1C#N)C1CCN(S(C)(=O)=O)CC1 ZINC000554241606 651200357 /nfs/dbraw/zinc/20/03/57/651200357.db2.gz NTDRIFQNDWBHEE-UHFFFAOYSA-N 1 0 386.315 2.177 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000735940897 651802879 /nfs/dbraw/zinc/80/28/79/651802879.db2.gz USSLNHIBYGKIMU-UHFFFAOYSA-N 1 0 397.244 2.415 20 30 GEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000571937290 651862605 /nfs/dbraw/zinc/86/26/05/651862605.db2.gz QWSOEEPZZPSUSL-NVXWUHKLSA-N 1 0 391.313 2.158 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000651978785 651909308 /nfs/dbraw/zinc/90/93/08/651909308.db2.gz FNJNIHAEGPHCLZ-OAHLLOKOSA-N 1 0 397.313 2.273 20 30 GEEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508284 652062878 /nfs/dbraw/zinc/06/28/78/652062878.db2.gz NPZBVNZCABFSPB-MRXNPFEDSA-N 1 0 384.933 2.277 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000575401436 652070889 /nfs/dbraw/zinc/07/08/89/652070889.db2.gz YHFLGLLUXUIDRA-HNNXBMFYSA-N 1 0 384.299 2.085 20 30 GEEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1OC ZINC000623411959 652235637 /nfs/dbraw/zinc/23/56/37/652235637.db2.gz RQZMFEWKANUGKK-UHFFFAOYSA-N 1 0 376.906 2.331 20 30 GEEDRO O=C1Nc2c(cccc2I)C1=NNCC[NH+]1CCCCC1 ZINC000750934111 652314635 /nfs/dbraw/zinc/31/46/35/652314635.db2.gz GRWCLVZMJDZUJJ-UHFFFAOYSA-N 1 0 398.248 2.023 20 30 GEEDRO [NH3+]C[C@@H]1CN(C(=O)NCCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000627021562 652412561 /nfs/dbraw/zinc/41/25/61/652412561.db2.gz WEBZDPAONKUITE-BDAKNGLRSA-N 1 0 383.308 2.072 20 30 GEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186174 652417672 /nfs/dbraw/zinc/41/76/72/652417672.db2.gz REMAEKBUJOVWJS-AWEZNQCLSA-N 1 0 386.265 2.274 20 30 GEEDRO C=CC[C@@]1(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CCC[NH2+]1 ZINC000662677437 652470471 /nfs/dbraw/zinc/47/04/71/652470471.db2.gz ZHNLRZPCHKRNEF-KRWDZBQOSA-N 1 0 379.302 2.191 20 30 GEEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202485 652476695 /nfs/dbraw/zinc/47/66/95/652476695.db2.gz UCLNXTUNNKJMQW-CJNGLKHVSA-N 1 0 379.302 2.413 20 30 GEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554351 652500822 /nfs/dbraw/zinc/50/08/22/652500822.db2.gz YVLCWEKCDQATHO-VXGBXAGGSA-N 1 0 399.310 2.270 20 30 GEEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590247054 652577303 /nfs/dbraw/zinc/57/73/03/652577303.db2.gz YYLGVYDSGJXALC-ZDUSSCGKSA-N 1 0 393.285 2.250 20 30 GEEDRO N#Cc1cnn2c1NC[C@H](C[N@@H+](CCO)Cc1cccc(Br)c1)C2 ZINC000592509364 652597866 /nfs/dbraw/zinc/59/78/66/652597866.db2.gz LCEFPJKMRQMJIY-CQSZACIVSA-N 1 0 390.285 2.053 20 30 GEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000593507577 652623308 /nfs/dbraw/zinc/62/33/08/652623308.db2.gz KUKKRBPYDUWSFU-AWEZNQCLSA-N 1 0 392.297 2.044 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000593738386 652634329 /nfs/dbraw/zinc/63/43/29/652634329.db2.gz ZGFSWYHLGAGSCO-JDFRZJQESA-N 1 0 383.901 2.119 20 30 GEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1ccc(I)cc1 ZINC000595258856 652711884 /nfs/dbraw/zinc/71/18/84/652711884.db2.gz FDFVYFSSTCQUPF-CQSZACIVSA-N 1 0 385.249 2.361 20 30 GEEDRO C#CCC[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000762794541 652719342 /nfs/dbraw/zinc/71/93/42/652719342.db2.gz OPQAAINOTOFDPL-UHFFFAOYSA-N 1 0 392.244 2.380 20 30 GEEDRO N#Cc1cc(F)c(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000596014858 652746742 /nfs/dbraw/zinc/74/67/42/652746742.db2.gz UTFRGFNWWYBUSK-LBPRGKRZSA-N 1 0 379.237 2.352 20 30 GEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000598720158 652831604 /nfs/dbraw/zinc/83/16/04/652831604.db2.gz KTHRJTMPHIZDIT-HNNXBMFYSA-N 1 0 382.302 2.459 20 30 GEEDRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1Br ZINC000598730087 652832123 /nfs/dbraw/zinc/83/21/23/652832123.db2.gz QVRVALXLNJEMFA-HUUCEWRRSA-N 1 0 399.329 2.499 20 30 GEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766225377 652872361 /nfs/dbraw/zinc/87/23/61/652872361.db2.gz OUBNFKCQBQKVCB-UHFFFAOYSA-N 1 0 379.298 2.416 20 30 GEEDRO C#CCCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000766895008 652902331 /nfs/dbraw/zinc/90/23/31/652902331.db2.gz ILJNJACYPOABLN-UHFFFAOYSA-N 1 0 382.245 2.462 20 30 GEEDRO N#CCc1ccccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000601305506 653085523 /nfs/dbraw/zinc/08/55/23/653085523.db2.gz WSNSPDBKPFKTIT-UHFFFAOYSA-N 1 0 379.551 2.393 20 30 GEEDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000601396680 653090997 /nfs/dbraw/zinc/09/09/97/653090997.db2.gz GONYDWDIROCBSP-HOTGVXAUSA-N 1 0 383.514 2.206 20 30 GEEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769023187 653141139 /nfs/dbraw/zinc/14/11/39/653141139.db2.gz YSFACWNDWOIPKT-UHFFFAOYSA-N 1 0 381.270 2.125 20 30 GEEDRO C=CCCn1cc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)nn1 ZINC000641182562 653166753 /nfs/dbraw/zinc/16/67/53/653166753.db2.gz RBFCAZJFPVZKLM-INIZCTEOSA-N 1 0 388.273 2.305 20 30 GEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000602529995 653188494 /nfs/dbraw/zinc/18/84/94/653188494.db2.gz SDEIACIROMURPG-AWEZNQCLSA-N 1 0 385.917 2.307 20 30 GEEDRO CCN(CCC#N)C(=O)CN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602879570 653211223 /nfs/dbraw/zinc/21/12/23/653211223.db2.gz BTSPIMRGCLSIOV-AWEZNQCLSA-N 1 0 381.274 2.059 20 30 GEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602885414 653212439 /nfs/dbraw/zinc/21/24/39/653212439.db2.gz DRUNIDMZQGIPPO-AWEZNQCLSA-N 1 0 381.274 2.059 20 30 GEEDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(Br)cc2C#N)C1 ZINC000808263776 653224463 /nfs/dbraw/zinc/22/44/63/653224463.db2.gz FMSLJCZLCHKPMV-HNNXBMFYSA-N 1 0 381.274 2.428 20 30 GEEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(Br)cc1 ZINC000836317110 653344245 /nfs/dbraw/zinc/34/42/45/653344245.db2.gz COQSBCSMRXMNQG-HOTGVXAUSA-N 1 0 380.286 2.143 20 30 GEEDRO C#C[C@H](NC(=O)NC[C@H](C)CN1CCOCC1)c1ccc(Br)cc1 ZINC000836352764 653346465 /nfs/dbraw/zinc/34/64/65/653346465.db2.gz XLZXFDHWDDGQDN-YOEHRIQHSA-N 1 0 394.313 2.391 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000836425448 653351119 /nfs/dbraw/zinc/35/11/19/653351119.db2.gz BVTZGJAWDPWTSL-MRXNPFEDSA-N 1 0 393.329 2.282 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000836446022 653353126 /nfs/dbraw/zinc/35/31/26/653353126.db2.gz PEVMVGJDCMAQGO-CQSZACIVSA-N 1 0 384.249 2.276 20 30 GEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000836488455 653355984 /nfs/dbraw/zinc/35/59/84/653355984.db2.gz WXIIYOKCXMRKCR-UHFFFAOYSA-N 1 0 382.302 2.424 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000812515249 653431879 /nfs/dbraw/zinc/43/18/79/653431879.db2.gz BKMUAVYKKCKBBM-UHFFFAOYSA-N 1 0 393.281 2.453 20 30 GEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000876877708 653452224 /nfs/dbraw/zinc/45/22/24/653452224.db2.gz FLXRYHZZPWLXND-OAHLLOKOSA-N 1 0 382.295 2.102 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893560 653452460 /nfs/dbraw/zinc/45/24/60/653452460.db2.gz MGERCSUBBWCDSJ-QWHCGFSZSA-N 1 0 375.778 2.175 20 30 GEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896225 653452956 /nfs/dbraw/zinc/45/29/56/653452956.db2.gz XZQGJMSXULZIBS-NWDGAFQWSA-N 1 0 375.778 2.397 20 30 GEEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000877109073 653466570 /nfs/dbraw/zinc/46/65/70/653466570.db2.gz YYBDGHCUOBITRW-UHFFFAOYSA-N 1 0 382.795 2.010 20 30 GEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000779893040 653615116 /nfs/dbraw/zinc/61/51/16/653615116.db2.gz MUCFSHHFLONVEQ-OAHLLOKOSA-N 1 0 383.901 2.133 20 30 GEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000815082487 653650548 /nfs/dbraw/zinc/65/05/48/653650548.db2.gz UPGFEZYIVPVYJY-UHFFFAOYSA-N 1 0 379.707 2.336 20 30 GEEDRO C#CCN(C)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000815652592 653662455 /nfs/dbraw/zinc/66/24/55/653662455.db2.gz JKADDORPDXOEJZ-HNNXBMFYSA-N 1 0 385.327 2.212 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007993 653704905 /nfs/dbraw/zinc/70/49/05/653704905.db2.gz WIADIIVQLGJMOK-WRWORJQWSA-N 1 0 388.063 2.445 20 30 GEEDRO CCOc1cc(Br)c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000841082421 653706063 /nfs/dbraw/zinc/70/60/63/653706063.db2.gz KXZDDWYEBVJUNY-GXFFZTMASA-N 1 0 397.273 2.480 20 30 GEEDRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841176674 653709144 /nfs/dbraw/zinc/70/91/44/653709144.db2.gz MPUZNQNZVVRDME-BXUZGUMPSA-N 1 0 397.273 2.097 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251382 653712465 /nfs/dbraw/zinc/71/24/65/653712465.db2.gz UGCGXYGMYQOAIF-CPCISQLKSA-N 1 0 390.612 2.178 20 30 GEEDRO COC(=O)CC[NH+]1CCC(N=Nc2cc(CO)ccc2Br)CC1 ZINC000841655645 653738040 /nfs/dbraw/zinc/73/80/40/653738040.db2.gz WQCFPJFSKNJVDL-UHFFFAOYSA-N 1 0 384.274 2.368 20 30 GEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000819312166 653749077 /nfs/dbraw/zinc/74/90/77/653749077.db2.gz PEZUXVDKEQCIKD-HNNXBMFYSA-N 1 0 380.217 2.384 20 30 GEEDRO C[C@H]1CN(c2ncc(C#N)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000882144054 653765563 /nfs/dbraw/zinc/76/55/63/653765563.db2.gz ATUBMLJBHDUIFG-BBRMVZONSA-N 1 0 378.318 2.178 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825167 653769676 /nfs/dbraw/zinc/76/96/76/653769676.db2.gz MPGVCEVVJUGORP-UHFFFAOYSA-N 1 0 384.299 2.085 20 30 GEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843111950 653779844 /nfs/dbraw/zinc/77/98/44/653779844.db2.gz BJEVKMHRGKDOKB-SJLPKXTDSA-N 1 0 391.265 2.384 20 30 GEEDRO C=CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790742273 653796486 /nfs/dbraw/zinc/79/64/86/653796486.db2.gz PEINDTSINTYCTM-AWEZNQCLSA-N 1 0 380.539 2.324 20 30 GEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883095469 653826416 /nfs/dbraw/zinc/82/64/16/653826416.db2.gz CJXHWKYTLCDBTQ-NSHDSACASA-N 1 0 384.278 2.194 20 30 GEEDRO CS[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1[NH+](C)C ZINC000883099202 653826825 /nfs/dbraw/zinc/82/68/25/653826825.db2.gz MOYPVAPHTFFWTH-RYUDHWBXSA-N 1 0 384.303 2.225 20 30 GEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000883125348 653829545 /nfs/dbraw/zinc/82/95/45/653829545.db2.gz GJVVXGDCWQODIC-INIZCTEOSA-N 1 0 387.307 2.178 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000884053874 653861595 /nfs/dbraw/zinc/86/15/95/653861595.db2.gz JTIDGIJVRGULOT-GCULGPDHSA-N 1 0 381.263 2.187 20 30 GEEDRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884109656 653863964 /nfs/dbraw/zinc/86/39/64/653863964.db2.gz MODNTGVDSJOATI-JKGQDXBKSA-N 1 0 391.269 2.485 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Oc1ccccc1Br ZINC000884155542 653866321 /nfs/dbraw/zinc/86/63/21/653866321.db2.gz FFOJYLFNRKMHML-DWBBHFSCSA-N 1 0 392.297 2.472 20 30 GEEDRO C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Oc1cccc(Br)c1 ZINC000884155784 653866342 /nfs/dbraw/zinc/86/63/42/653866342.db2.gz KWIHOAVGYHVZIE-FMHYQEOESA-N 1 0 392.297 2.472 20 30 GEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNc1cccc(Br)c1)C2 ZINC000884325196 653872380 /nfs/dbraw/zinc/87/23/80/653872380.db2.gz KWWXAUQEWQPNJZ-JZLYGMAVSA-N 1 0 377.286 2.117 20 30 GEEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000847022639 653915474 /nfs/dbraw/zinc/91/54/74/653915474.db2.gz IIRCEZQTCKRRIQ-CQSZACIVSA-N 1 0 381.307 2.382 20 30 GEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000867581382 653956015 /nfs/dbraw/zinc/95/60/15/653956015.db2.gz JOEVBBCOFSCWCI-UHFFFAOYSA-N 1 0 385.917 2.191 20 30 GEEDRO C=CC[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000826656410 653956075 /nfs/dbraw/zinc/95/60/75/653956075.db2.gz OHKRSMIBXYCNED-UHFFFAOYSA-N 1 0 377.251 2.128 20 30 GEEDRO Cc1c(Br)c(C)n(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376187 653973176 /nfs/dbraw/zinc/97/31/76/653973176.db2.gz MUDOUXKFTXOUFT-CWSCBRNRSA-N 1 0 395.301 2.431 20 30 GEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000867813021 653991809 /nfs/dbraw/zinc/99/18/09/653991809.db2.gz PCONZDJISUKXKC-DOMZBBRYSA-N 1 0 384.299 2.035 20 30 GEEDRO C#CCN(C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)C1CC[NH+](C)CC1 ZINC000886575917 653992570 /nfs/dbraw/zinc/99/25/70/653992570.db2.gz OXORDKLUGQYESI-UHFFFAOYSA-N 1 0 376.810 2.420 20 30 GEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662496 653994264 /nfs/dbraw/zinc/99/42/64/653994264.db2.gz FOAHSCOQMAECNQ-NEPJUHHUSA-N 1 0 390.336 2.389 20 30 GEEDRO C#CCC1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCOCC1 ZINC000887127766 654020922 /nfs/dbraw/zinc/02/09/22/654020922.db2.gz XVBOPSIWSMMKET-UHFFFAOYSA-N 1 0 386.311 2.385 20 30 GEEDRO C#CCC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000887122267 654020933 /nfs/dbraw/zinc/02/09/33/654020933.db2.gz QKUUKVMQYIFRJW-OAHLLOKOSA-N 1 0 386.261 2.490 20 30 GEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000828478398 654037472 /nfs/dbraw/zinc/03/74/72/654037472.db2.gz UVKYTFWDCCHSBY-CYBMUJFWSA-N 1 0 392.135 2.486 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000900482562 654066563 /nfs/dbraw/zinc/06/65/63/654066563.db2.gz RKOTXWOUGXFSPE-UHFFFAOYSA-N 1 0 382.302 2.193 20 30 GEEDRO C=C(CC[NH+](C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000900505486 654067797 /nfs/dbraw/zinc/06/77/97/654067797.db2.gz WNOCUMRJAVTSHH-UHFFFAOYSA-N 1 0 382.302 2.193 20 30 GEEDRO N#C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1Br ZINC000900701261 654077241 /nfs/dbraw/zinc/07/72/41/654077241.db2.gz WJXZVBQSDQXVNY-MRXNPFEDSA-N 1 0 378.270 2.241 20 30 GEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000852072662 654216388 /nfs/dbraw/zinc/21/63/88/654216388.db2.gz GBAGZMAFJBBESN-UHFFFAOYSA-N 1 0 382.306 2.211 20 30 GEEDRO C#CC[NH+]1CCC(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000890631906 654234828 /nfs/dbraw/zinc/23/48/28/654234828.db2.gz JEAQCEIVQXACSI-SFHVURJKSA-N 1 0 379.298 2.118 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000903487939 654240794 /nfs/dbraw/zinc/24/07/94/654240794.db2.gz OCWCNMHQGBKVAS-BLLLJJGKSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000903503131 654242256 /nfs/dbraw/zinc/24/22/56/654242256.db2.gz FFCLGIANIPMFDN-LRDDRELGSA-N 1 0 398.326 2.473 20 30 GEEDRO N#Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)ccc1Br ZINC000903518027 654246839 /nfs/dbraw/zinc/24/68/39/654246839.db2.gz WLDYOYUPZDEWHG-UHFFFAOYSA-N 1 0 384.299 2.227 20 30 GEEDRO N#Cc1sccc1S(=O)(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903571711 654258360 /nfs/dbraw/zinc/25/83/60/654258360.db2.gz NLUWAIFSNSKYGH-GUYCJALGSA-N 1 0 375.475 2.154 20 30 GEEDRO [NH3+][C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578135 654260845 /nfs/dbraw/zinc/26/08/45/654260845.db2.gz CEFFYBWOGVGCSC-XNCJUZBTSA-N 1 0 380.285 2.143 20 30 GEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581258 654261656 /nfs/dbraw/zinc/26/16/56/654261656.db2.gz CVNREFQGFXUXJL-LSDHHAIUSA-N 1 0 375.416 2.216 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000852823682 654261872 /nfs/dbraw/zinc/26/18/72/654261872.db2.gz SGYHBNQJHUKEAE-QGZVFWFLSA-N 1 0 377.282 2.352 20 30 GEEDRO COc1cc(CNC(=O)C#CC2CC[NH2+]CC2)cc(Br)c1OC ZINC000852827068 654262064 /nfs/dbraw/zinc/26/20/64/654262064.db2.gz AVYYUGOTYDWVGI-UHFFFAOYSA-N 1 0 381.270 2.086 20 30 GEEDRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852825529 654262178 /nfs/dbraw/zinc/26/21/78/654262178.db2.gz QGWWLNQWRMRFQU-UHFFFAOYSA-N 1 0 392.297 2.205 20 30 GEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000852867719 654264505 /nfs/dbraw/zinc/26/45/05/654264505.db2.gz ACTPGMCHXXEOBC-HNNXBMFYSA-N 1 0 376.298 2.147 20 30 GEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000853116751 654280125 /nfs/dbraw/zinc/28/01/25/654280125.db2.gz ZMNQAQOJDBQBQO-RDJZCZTQSA-N 1 0 386.261 2.346 20 30 GEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903716297 654281119 /nfs/dbraw/zinc/28/11/19/654281119.db2.gz VBHGSPJHMCUKGU-GHMZBOCLSA-N 1 0 395.834 2.264 20 30 GEEDRO C[C@@H]1CN(c2cc(Br)cnc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000853464080 654297360 /nfs/dbraw/zinc/29/73/60/654297360.db2.gz GXNSHRCIBIPUDC-CZUORRHYSA-N 1 0 378.318 2.178 20 30 GEEDRO C=CCOc1c(Br)cc(CN2CCC[C@]([NH3+])(CO)C2)cc1OC ZINC000904401813 654309439 /nfs/dbraw/zinc/30/94/39/654309439.db2.gz SLJMLRRKQSHPQH-QGZVFWFLSA-N 1 0 385.302 2.308 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490280 654329730 /nfs/dbraw/zinc/32/97/30/654329730.db2.gz UBTKKWCWPBXYLD-JOYOIKCWSA-N 1 0 378.219 2.417 20 30 GEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493493 654329805 /nfs/dbraw/zinc/32/98/05/654329805.db2.gz DTYDUELABCDSFN-GZMMTYOYSA-N 1 0 397.323 2.404 20 30 GEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000854094509 654340420 /nfs/dbraw/zinc/34/04/20/654340420.db2.gz UCILIACHTHLVMR-QGZVFWFLSA-N 1 0 394.313 2.487 20 30 GEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000922023698 654356068 /nfs/dbraw/zinc/35/60/68/654356068.db2.gz LWHLTORQPDUQIO-UHFFFAOYSA-N 1 0 378.885 2.001 20 30 GEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000905569711 654366743 /nfs/dbraw/zinc/36/67/43/654366743.db2.gz XIUPYRGRVAYXEU-UKRRQHHQSA-N 1 0 376.400 2.422 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000923051067 654426397 /nfs/dbraw/zinc/42/63/97/654426397.db2.gz WKVKNOGRQDEXPO-UHFFFAOYSA-N 1 0 396.285 2.060 20 30 GEEDRO Cn1nc(Br)nc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000893916080 654431339 /nfs/dbraw/zinc/43/13/39/654431339.db2.gz DBBJDAPBWRGUBZ-UHFFFAOYSA-N 1 0 389.301 2.157 20 30 GEEDRO Cn1nc(Br)nc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000894360093 654469439 /nfs/dbraw/zinc/46/94/39/654469439.db2.gz UXWDRTFIRYYLFU-UHFFFAOYSA-N 1 0 391.273 2.324 20 30 GEEDRO CON=C(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1csc(N)n1 ZINC000873843145 654471777 /nfs/dbraw/zinc/47/17/77/654471777.db2.gz JHGWIPCTNHDWOM-LBPRGKRZSA-N 1 0 379.511 2.091 20 30 GEEDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417952 654473966 /nfs/dbraw/zinc/47/39/66/654473966.db2.gz XRHRJEBFCWDYOB-GUYCJALGSA-N 1 0 391.269 2.273 20 30 GEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923733914 654481895 /nfs/dbraw/zinc/48/18/95/654481895.db2.gz GDWLWDDFXARUDX-HNNXBMFYSA-N 1 0 384.299 2.227 20 30 GEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907052877 654504323 /nfs/dbraw/zinc/50/43/23/654504323.db2.gz HYRQBWSQQKUWMN-MLGOLLRUSA-N 1 0 398.326 2.426 20 30 GEEDRO C[C@](O)(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000929166286 654674040 /nfs/dbraw/zinc/67/40/40/654674040.db2.gz NGIAQLAWQRWTIY-JTQLQIEISA-N 1 0 386.283 2.326 20 30 GEEDRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(C#N)cc1I ZINC000932553740 654781855 /nfs/dbraw/zinc/78/18/55/654781855.db2.gz QUCQIVDPASBGND-UHFFFAOYSA-N 1 0 384.221 2.188 20 30 GEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000932960811 654798319 /nfs/dbraw/zinc/79/83/19/654798319.db2.gz SKBBPVRFSAXSEE-UHFFFAOYSA-N 1 0 381.274 2.380 20 30 GEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000914013191 654821521 /nfs/dbraw/zinc/82/15/21/654821521.db2.gz LBAHDTPMFVIAPM-UHFFFAOYSA-N 1 0 379.507 2.180 20 30 GEEDRO C[NH+](C)C1(CNS(=O)(=O)Cc2csc(C#N)c2)Cc2ccccc2C1 ZINC000914181525 654833004 /nfs/dbraw/zinc/83/30/04/654833004.db2.gz QKZBRWFMCJPWEG-UHFFFAOYSA-N 1 0 375.519 2.138 20 30 GEEDRO