smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)ccc1C#N ZINC000721981348 710695752 /nfs/dbraw/zinc/69/57/52/710695752.db2.gz GWTAXAHXPGZNBH-PRHODGIISA-N 1 0 235.718 2.231 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CNc1cc(Cl)ccc1C#N ZINC000723789014 711537251 /nfs/dbraw/zinc/53/72/51/711537251.db2.gz KZWNQHTWZQYVSV-KOLCDFICSA-N 1 0 249.745 2.479 10 30 BEEERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000708695905 712196782 /nfs/dbraw/zinc/19/67/82/712196782.db2.gz PCUTYSKNEQUWQP-WUHRBBMRSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@@H](C#N)OCC[NH2+]C1(C2CCC2)CCC1 ZINC000717853954 712396445 /nfs/dbraw/zinc/39/64/45/712396445.db2.gz QYQBDVCCEKKABY-NSHDSACASA-N 1 0 222.332 2.227 10 30 BEEERO C=C[C@@H](C)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000125004437 1166794204 /nfs/dbraw/zinc/79/42/04/1166794204.db2.gz KLDQBRZDYYXCFZ-LLVKDONJSA-N 1 0 215.300 2.307 10 30 BEEERO C[C@H](C#N)C[NH2+]CCc1ccc(F)cc1 ZINC000036984779 1170924270 /nfs/dbraw/zinc/92/42/70/1170924270.db2.gz FWVNPTIBEJMGDE-SNVBAGLBSA-N 1 0 206.264 2.117 10 30 BEEERO CCC(C=O)(CC)C[N@H+](C)CC1CCOCC1 ZINC000104188327 168311189 /nfs/dbraw/zinc/31/11/89/168311189.db2.gz XULBEOVKQKEPTD-UHFFFAOYSA-N 1 0 241.375 2.350 10 30 BEEERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000300944188 349460320 /nfs/dbraw/zinc/46/03/20/349460320.db2.gz DVFHMRDZNWFPRH-MROQNXINSA-N 1 0 222.332 2.083 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382482753 398173377 /nfs/dbraw/zinc/17/33/77/398173377.db2.gz XPKFRAQNPXXNBM-NEPJUHHUSA-N 1 0 244.342 2.109 10 30 BEEERO Cc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1C#N ZINC000335604336 178042144 /nfs/dbraw/zinc/04/21/44/178042144.db2.gz XCCDIECTTIJNDV-MFKMUULPSA-N 1 0 200.285 2.365 10 30 BEEERO Cc1cc(NC[C@@H]2CCC[N@H+]2C)c(C#N)c(C)n1 ZINC000160542768 178166668 /nfs/dbraw/zinc/16/66/68/178166668.db2.gz GZYCIGCWRAPYEN-LBPRGKRZSA-N 1 0 244.342 2.076 10 30 BEEERO Cc1ccc(C#N)c(NC[C@H](C)[NH+](C)C)c1 ZINC000051579420 178364920 /nfs/dbraw/zinc/36/49/20/178364920.db2.gz CRLHCCKXENPJIW-NSHDSACASA-N 1 0 217.316 2.229 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000320422163 342733661 /nfs/dbraw/zinc/73/36/61/342733661.db2.gz YBWBYRITZOHSQP-YUMQZZPRSA-N 1 0 239.269 2.374 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000320422160 342733687 /nfs/dbraw/zinc/73/36/87/342733687.db2.gz YBWBYRITZOHSQP-JGVFFNPUSA-N 1 0 239.269 2.374 10 30 BEEERO CC[NH+]1CCC(C=O)(c2ccccc2)CC1 ZINC000003610219 342735081 /nfs/dbraw/zinc/73/50/81/342735081.db2.gz WGLLQWKGWPHUSQ-UHFFFAOYSA-N 1 0 217.312 2.239 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)cc1F ZINC000320763154 342739522 /nfs/dbraw/zinc/73/95/22/342739522.db2.gz XLJNGBACHXNWSP-RKDXNWHRSA-N 1 0 221.279 2.235 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042443910 362000820 /nfs/dbraw/zinc/00/08/20/362000820.db2.gz WTUGAHVROXHXTN-QWRGUYRKSA-N 1 0 210.346 2.118 10 30 BEEERO CC[C@H]([NH3+])C#Cc1occc1Br ZINC000229904036 342854426 /nfs/dbraw/zinc/85/44/26/342854426.db2.gz RLHQMYAJGOOQCR-ZETCQYMHSA-N 1 0 228.089 2.131 10 30 BEEERO CC[C@@H]([NH3+])C#Cc1occc1Br ZINC000229904031 342854584 /nfs/dbraw/zinc/85/45/84/342854584.db2.gz RLHQMYAJGOOQCR-SSDOTTSWSA-N 1 0 228.089 2.131 10 30 BEEERO C=CC[N@H+]1CC[C@@H](c2ccc(N)cc2)C1 ZINC000116481985 342927532 /nfs/dbraw/zinc/92/75/32/342927532.db2.gz IVPGTVRXDACOMU-GFCCVEGCSA-N 1 0 202.301 2.244 10 30 BEEERO C#CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019427542 187205601 /nfs/dbraw/zinc/20/56/01/187205601.db2.gz KKTGKZOULINASF-UHFFFAOYSA-N 1 0 213.280 2.075 10 30 BEEERO C=CC[C@@H]1C[N@@H+](C)C[C@@]1(O)c1ccccc1 ZINC000033639005 187208142 /nfs/dbraw/zinc/20/81/42/187208142.db2.gz YMSTWDUALQERSI-ZIAGYGMSSA-N 1 0 217.312 2.012 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000602829497 349766287 /nfs/dbraw/zinc/76/62/87/349766287.db2.gz JIFTZEKMCTWZFC-SDDRHHMPSA-N 1 0 222.332 2.083 10 30 BEEERO C#CC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000162568526 349752260 /nfs/dbraw/zinc/75/22/60/349752260.db2.gz ONNYVIAUOWQOOL-AVGNSLFASA-N 1 0 221.344 2.336 10 30 BEEERO C=CCC[C@H](CC)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309167241 133465048 /nfs/dbraw/zinc/46/50/48/133465048.db2.gz JNVKJBZGPCUCJM-ZDEQEGDKSA-N 1 0 209.333 2.213 10 30 BEEERO CCc1nc(C)c(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000336813782 136271018 /nfs/dbraw/zinc/27/10/18/136271018.db2.gz DCOFCDCDKCSSNP-WDEREUQCSA-N 1 0 233.315 2.327 10 30 BEEERO CNC(=[NH2+])NN=Nc1nc2ccc(C)cc2s1 ZINC000027586827 187255761 /nfs/dbraw/zinc/25/57/61/187255761.db2.gz WQRDZUDASOWRNZ-UHFFFAOYSA-N 1 0 248.315 2.138 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251075050 343534321 /nfs/dbraw/zinc/53/43/21/343534321.db2.gz GHFIOECOCUJDQX-XQLPTFJDSA-N 1 0 247.386 2.285 10 30 BEEERO CC[C@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000082579348 133502703 /nfs/dbraw/zinc/50/27/03/133502703.db2.gz APKLIBYHHHGMRQ-VIFPVBQESA-N 1 0 223.707 2.361 10 30 BEEERO CC1CC[NH+](CC2(C=O)CCCC2)CC1 ZINC000051175238 346974047 /nfs/dbraw/zinc/97/40/47/346974047.db2.gz PRCBYYUTBOFSSF-UHFFFAOYSA-N 1 0 209.333 2.478 10 30 BEEERO [NH3+]CC#Cc1cscc1C(F)(F)F ZINC000306592383 343852867 /nfs/dbraw/zinc/85/28/67/343852867.db2.gz RAKUKRZNJOUMAD-UHFFFAOYSA-N 1 0 205.204 2.077 10 30 BEEERO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)OC ZINC000393463347 343878038 /nfs/dbraw/zinc/87/80/38/343878038.db2.gz BVINYUSVBAVCLW-XQQFMLRXSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049616537 187357300 /nfs/dbraw/zinc/35/73/00/187357300.db2.gz BNGHHSRFHKDIHU-UHFFFAOYSA-N 1 0 231.339 2.261 10 30 BEEERO CCCCOCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049611060 187357940 /nfs/dbraw/zinc/35/79/40/187357940.db2.gz RNMLACZMCYVWMN-UHFFFAOYSA-N 1 0 247.338 2.322 10 30 BEEERO COC[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000234690832 344205045 /nfs/dbraw/zinc/20/50/45/344205045.db2.gz UKQLXAXTWSKKGV-NSHDSACASA-N 1 0 212.337 2.331 10 30 BEEERO CNC(=[NH2+])Nc1c(Cl)cc(F)cc1Cl ZINC000215735805 349915185 /nfs/dbraw/zinc/91/51/85/349915185.db2.gz YPADGKUDJSESHM-UHFFFAOYSA-N 1 0 236.077 2.489 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000155401186 187296348 /nfs/dbraw/zinc/29/63/48/187296348.db2.gz CEPMOYJBDMIBQZ-ZDUSSCGKSA-N 1 0 247.342 2.046 10 30 BEEERO CC#CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000155121062 345068228 /nfs/dbraw/zinc/06/82/28/345068228.db2.gz BVPDOTGSVMNYON-QWHCGFSZSA-N 1 0 207.317 2.043 10 30 BEEERO N#Cc1c(F)cccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493138 345096149 /nfs/dbraw/zinc/09/61/49/345096149.db2.gz DSQFDRHECCATIN-SNVBAGLBSA-N 1 0 233.290 2.251 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000306235820 345129949 /nfs/dbraw/zinc/12/99/49/345129949.db2.gz OOSSLYFQBVYVAD-RCWTZXSCSA-N 1 0 210.346 2.020 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000164063338 345777751 /nfs/dbraw/zinc/77/77/51/345777751.db2.gz BJCBDUNPNVSCSL-UWVGGRQHSA-N 1 0 248.164 2.178 10 30 BEEERO CC[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1C#N)OC ZINC000322636368 345953721 /nfs/dbraw/zinc/95/37/21/345953721.db2.gz SLQNOWCJEROQNW-JHJVBQTASA-N 1 0 224.348 2.473 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236172223 346204943 /nfs/dbraw/zinc/20/49/43/346204943.db2.gz JDQYWGLLURVHQH-QWHCGFSZSA-N 1 0 222.332 2.085 10 30 BEEERO C=CCn1cc(CC[NH3+])c2ccccc21 ZINC000038672754 187318009 /nfs/dbraw/zinc/31/80/09/187318009.db2.gz IWRCYBKTEUZRAJ-UHFFFAOYSA-N 1 0 200.285 2.329 10 30 BEEERO C[C@H]1c2ccsc2CC[N@H+]1CCC=O ZINC000062540736 346269617 /nfs/dbraw/zinc/26/96/17/346269617.db2.gz FXQIPSXZGQZRGN-VIFPVBQESA-N 1 0 209.314 2.256 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300361530 346432175 /nfs/dbraw/zinc/43/21/75/346432175.db2.gz GQBWABPKHNOAHS-RWMBFGLXSA-N 1 0 222.332 2.085 10 30 BEEERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)CCC#N)c1 ZINC000042965785 179203385 /nfs/dbraw/zinc/20/33/85/179203385.db2.gz XNSDHGLKBYTGOE-OCCSQVGLSA-N 1 0 231.343 2.229 10 30 BEEERO C#CC[NH2+]Cc1ccc(OCCC)cc1 ZINC000020084665 347349485 /nfs/dbraw/zinc/34/94/85/347349485.db2.gz QJYNAAFWTIPHTH-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO Cc1ccccc1C[N@H+](C)CCCC/C(N)=N\O ZINC000049580243 179270326 /nfs/dbraw/zinc/27/03/26/179270326.db2.gz ZESKPNJWZMAMJW-UHFFFAOYSA-N 1 0 249.358 2.344 10 30 BEEERO CCCC(CCC)=NOC[C@H](O)C[NH2+]C(C)C ZINC000029347408 168580168 /nfs/dbraw/zinc/58/01/68/168580168.db2.gz UWBOPSQOZJDCFK-CYBMUJFWSA-N 1 0 244.379 2.318 10 30 BEEERO N#Cc1cc(F)ccc1NCCC1CC[NH2+]CC1 ZINC000593233252 347873199 /nfs/dbraw/zinc/87/31/99/347873199.db2.gz NFPBYEQHUCGTDW-UHFFFAOYSA-N 1 0 247.317 2.499 10 30 BEEERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H](C)C#N ZINC000043037065 179329080 /nfs/dbraw/zinc/32/90/80/179329080.db2.gz UJQDBNHEKQBPDX-NJZAAPMLSA-N 1 0 245.370 2.475 10 30 BEEERO C#C[C@](C)(COC)[NH2+]CC1CCCCC1 ZINC000616570400 348070222 /nfs/dbraw/zinc/07/02/22/348070222.db2.gz RWAYMLBTKOLKGN-CYBMUJFWSA-N 1 0 209.333 2.195 10 30 BEEERO C#C[C@@H]([NH2+]CCCC(=O)OCC)c1ccccc1 ZINC000196872965 348046717 /nfs/dbraw/zinc/04/67/17/348046717.db2.gz OYBOTSPGHGGSNX-CQSZACIVSA-N 1 0 245.322 2.294 10 30 BEEERO CN(CC(C)(C)[NH3+])c1c(F)cc(C#N)cc1F ZINC000594693275 348099904 /nfs/dbraw/zinc/09/99/04/348099904.db2.gz MJBCUZYVFUETHX-UHFFFAOYSA-N 1 0 239.269 2.010 10 30 BEEERO C=CCCSCC[NH2+]Cc1cnn(C)c1C ZINC000594960877 348150823 /nfs/dbraw/zinc/15/08/23/348150823.db2.gz ZCQWUGQKYHNTEB-UHFFFAOYSA-N 1 0 239.388 2.127 10 30 BEEERO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1C#N ZINC000595695612 348306342 /nfs/dbraw/zinc/30/63/42/348306342.db2.gz WZUIZFFQEHNENI-MGPQQGTHSA-N 1 0 235.375 2.143 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000595689248 348314843 /nfs/dbraw/zinc/31/48/43/348314843.db2.gz KSRQRLMVSBBSEE-DGCLKSJQSA-N 1 0 222.332 2.227 10 30 BEEERO CC(C)[C@H]([NH3+])CCNc1ccc(F)cc1C#N ZINC000596030375 348425979 /nfs/dbraw/zinc/42/59/79/348425979.db2.gz WIPXAUQKATXBRI-GFCCVEGCSA-N 1 0 235.306 2.483 10 30 BEEERO C=C(C)C(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616571856 349061320 /nfs/dbraw/zinc/06/13/20/349061320.db2.gz NWYOXWVVXKLPJG-GFCCVEGCSA-N 1 0 236.359 2.073 10 30 BEEERO Cc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1C#N ZINC000599299931 349141048 /nfs/dbraw/zinc/14/10/48/349141048.db2.gz QFAOSOSMNKTFBA-CYBMUJFWSA-N 1 0 244.338 2.071 10 30 BEEERO C[C@H](C#N)Oc1c(Cl)cccc1C[NH3+] ZINC000159163194 349309281 /nfs/dbraw/zinc/30/92/81/349309281.db2.gz RUNBNKIOMXSYKP-SSDOTTSWSA-N 1 0 210.664 2.090 10 30 BEEERO CC#CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000051663398 350022044 /nfs/dbraw/zinc/02/20/44/350022044.db2.gz DAWWFCHDHMZAGW-QMMMGPOBSA-N 1 0 208.330 2.434 10 30 BEEERO C[C@H](CC[NH2+]CC(C)(C)CCC#N)[S@@](C)=O ZINC000132573766 191034655 /nfs/dbraw/zinc/03/46/55/191034655.db2.gz SANVCURCVMRJHG-BZNIZROVSA-N 1 0 244.404 2.063 10 30 BEEERO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000083640847 350265172 /nfs/dbraw/zinc/26/51/72/350265172.db2.gz RZJWUGDMAWVHQI-VXGBXAGGSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)NC(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262527560 535123937 /nfs/dbraw/zinc/12/39/37/535123937.db2.gz LVNXMQASPFZFIJ-VXGBXAGGSA-N 1 0 223.364 2.268 10 30 BEEERO CCOC1CC([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000233752429 350684408 /nfs/dbraw/zinc/68/44/08/350684408.db2.gz LFUPHLUFXHTAFP-WTIISPKJSA-N 1 0 222.332 2.226 10 30 BEEERO N#Cc1ccc([C@H]2CCCCCN2CC[NH3+])cc1 ZINC000616606064 350796496 /nfs/dbraw/zinc/79/64/96/350796496.db2.gz XJMYZGAYUJZJMP-OAHLLOKOSA-N 1 0 243.354 2.434 10 30 BEEERO CCNC(=[NH2+])Nc1cc(Cl)ccc1F ZINC000052069935 350901588 /nfs/dbraw/zinc/90/15/88/350901588.db2.gz CWJNRGNXWUQNDB-UHFFFAOYSA-N 1 0 215.659 2.035 10 30 BEEERO N#Cc1cccc([C@@H]2CCCCC[N@H+]2CCO)c1 ZINC000616625363 351093945 /nfs/dbraw/zinc/09/39/45/351093945.db2.gz MLCKUPSZDSGMTL-HNNXBMFYSA-N 1 0 244.338 2.468 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336719400 351145339 /nfs/dbraw/zinc/14/53/39/351145339.db2.gz YDWWGJWQAAVTAN-MROQNXINSA-N 1 0 217.316 2.351 10 30 BEEERO N#Cc1cccc([C@@H]2CCCC[N@@H+](CCO)C2)c1 ZINC000616656199 351202165 /nfs/dbraw/zinc/20/21/65/351202165.db2.gz UADIWMCAERGEDK-OAHLLOKOSA-N 1 0 244.338 2.120 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638453896 352266658 /nfs/dbraw/zinc/26/66/58/352266658.db2.gz BSCUGVDSKOZXLY-NEPJUHHUSA-N 1 0 238.375 2.222 10 30 BEEERO C=CC[C@H]([NH3+])c1nscc1Br ZINC000404797016 352470169 /nfs/dbraw/zinc/47/01/69/352470169.db2.gz IGFBBICWPXCJRB-LURJTMIESA-N 1 0 233.134 2.482 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000164063465 352555643 /nfs/dbraw/zinc/55/56/43/352555643.db2.gz BJCBDUNPNVSCSL-NXEZZACHSA-N 1 0 248.164 2.178 10 30 BEEERO N#Cc1cc(F)ccc1N[C@@H](CC[NH3+])C(F)F ZINC000383357957 352748391 /nfs/dbraw/zinc/74/83/91/352748391.db2.gz CRKSGNJHDUMUSU-JTQLQIEISA-N 1 0 243.232 2.092 10 30 BEEERO CC1(C)C[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000536950551 323954434 /nfs/dbraw/zinc/95/44/34/323954434.db2.gz JABOKTZPXOPAML-GFCCVEGCSA-N 1 0 200.285 2.271 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000638876076 353042436 /nfs/dbraw/zinc/04/24/36/353042436.db2.gz YEXFHRCBZNMZQO-GFCCVEGCSA-N 1 0 240.391 2.468 10 30 BEEERO CC1(C)C[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000536950794 323955294 /nfs/dbraw/zinc/95/52/94/323955294.db2.gz JYSFRXJSOJOAIU-GFCCVEGCSA-N 1 0 200.285 2.271 10 30 BEEERO C=C(Br)COC1CCC([NH3+])CC1 ZINC000055143191 188048523 /nfs/dbraw/zinc/04/85/23/188048523.db2.gz JSMCASJFAIGLDW-UHFFFAOYSA-N 1 0 234.137 2.182 10 30 BEEERO C=CC[C@H]([NH3+])C(=O)NC[C@@H](CC)CCCC ZINC000083354966 188269939 /nfs/dbraw/zinc/26/99/39/188269939.db2.gz BFTMTDKOUNLACM-RYUDHWBXSA-N 1 0 226.364 2.222 10 30 BEEERO C=CC[C@H]([NH3+])C(=O)NCc1ccc(C(C)C)cc1 ZINC000083375564 188270448 /nfs/dbraw/zinc/27/04/48/188270448.db2.gz SXHCTCICQWKELS-AWEZNQCLSA-N 1 0 246.354 2.330 10 30 BEEERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846868 188281727 /nfs/dbraw/zinc/28/17/27/188281727.db2.gz ZIMUHFRWJWTFFR-LLVKDONJSA-N 1 0 245.326 2.225 10 30 BEEERO C#C[C@H]([NH3+])c1cc(Br)ccc1F ZINC000165320817 353299190 /nfs/dbraw/zinc/29/91/90/353299190.db2.gz WQZDMZDJKXHEIY-VIFPVBQESA-N 1 0 228.064 2.221 10 30 BEEERO Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458361 188293786 /nfs/dbraw/zinc/29/37/86/188293786.db2.gz MAKGJMXSTLDGAU-LBPRGKRZSA-N 1 0 249.358 2.118 10 30 BEEERO C=C[C@H]([NH2+]C)c1ccc(Br)cn1 ZINC000130800216 353366684 /nfs/dbraw/zinc/36/66/84/353366684.db2.gz FNBHAAPFDHVFKN-QMMMGPOBSA-N 1 0 227.105 2.291 10 30 BEEERO C#CC[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000083344882 188355949 /nfs/dbraw/zinc/35/59/49/188355949.db2.gz SNPLVADPXUTGGA-QMMMGPOBSA-N 1 0 206.314 2.045 10 30 BEEERO C=CCC[NH+]1CCC(c2nncn2CC)CC1 ZINC000132989162 353396299 /nfs/dbraw/zinc/39/62/99/353396299.db2.gz JJLQGOHMQMRBQF-UHFFFAOYSA-N 1 0 234.347 2.054 10 30 BEEERO C=CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000019875902 188351566 /nfs/dbraw/zinc/35/15/66/188351566.db2.gz UTZICBAXIKXILD-LLVKDONJSA-N 1 0 205.301 2.489 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094446042 353513457 /nfs/dbraw/zinc/51/34/57/353513457.db2.gz ZLWFFQIGVYOLMX-UONOGXRCSA-N 1 0 249.402 2.485 10 30 BEEERO C=CC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000184284117 353636057 /nfs/dbraw/zinc/63/60/57/353636057.db2.gz JUKYJAVBWDFJRE-JSGCOSHPSA-N 1 0 249.354 2.325 10 30 BEEERO N#CC1(c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000038975599 181031464 /nfs/dbraw/zinc/03/14/64/181031464.db2.gz SFCSLUZMQRKTFX-UHFFFAOYSA-N 1 0 222.238 2.110 10 30 BEEERO N#CCOc1ccc2ccccc2c1CC[NH3+] ZINC000037721531 181043809 /nfs/dbraw/zinc/04/38/09/181043809.db2.gz TZCSWJZIXKJCSP-UHFFFAOYSA-N 1 0 226.279 2.243 10 30 BEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825920 181058346 /nfs/dbraw/zinc/05/83/46/181058346.db2.gz JWUQAIQZTFOMTN-IHRRRGAJSA-N 1 0 236.359 2.475 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038051003 181075731 /nfs/dbraw/zinc/07/57/31/181075731.db2.gz AZRYAMSAOXPDEA-DGCLKSJQSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000061983942 181092000 /nfs/dbraw/zinc/09/20/00/181092000.db2.gz POOAPPSETBZGGP-GFCCVEGCSA-N 1 0 245.301 2.346 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc1 ZINC000037749015 181110196 /nfs/dbraw/zinc/11/01/96/181110196.db2.gz IYDNHHLGFSNONB-GJZGRUSLSA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042821019 181112724 /nfs/dbraw/zinc/11/27/24/181112724.db2.gz TWBYMMBTCYQLCD-ZDUSSCGKSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000038040828 181119272 /nfs/dbraw/zinc/11/92/72/181119272.db2.gz SPACCURYJCGJSY-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000335581055 181125129 /nfs/dbraw/zinc/12/51/29/181125129.db2.gz MJYYKUDPJXUVQJ-DGCLKSJQSA-N 1 0 215.300 2.098 10 30 BEEERO N#Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)c(F)c1 ZINC000049569074 181125231 /nfs/dbraw/zinc/12/52/31/181125231.db2.gz HUVQIUXSVMUCFS-ZIAGYGMSSA-N 1 0 245.301 2.346 10 30 BEEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000335583120 181125400 /nfs/dbraw/zinc/12/54/00/181125400.db2.gz VGTWRPHTZKYYIV-MWLCHTKSSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000062791629 181127364 /nfs/dbraw/zinc/12/73/64/181127364.db2.gz CHFKUMZZTMOTON-UHFFFAOYSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccccc1C[C@@H]1CCC[NH2+]C1 ZINC000035571882 181147375 /nfs/dbraw/zinc/14/73/75/181147375.db2.gz SLQIBPXGJSEYHN-NSHDSACASA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1ccccc1NCCC[NH+]1CCCC1 ZINC000042221049 181147773 /nfs/dbraw/zinc/14/77/73/181147773.db2.gz RHIGRDPNRYJLDA-UHFFFAOYSA-N 1 0 229.327 2.456 10 30 BEEERO N#Cc1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493281 181148367 /nfs/dbraw/zinc/14/83/67/181148367.db2.gz VDNMJJDSYQPGJJ-GFCCVEGCSA-N 1 0 215.300 2.112 10 30 BEEERO N#Cc1cccnc1OCCC[C@H]1CCC[NH2+]C1 ZINC000095072085 181154182 /nfs/dbraw/zinc/15/41/82/181154182.db2.gz LXIQAZTZMCVLKT-GFCCVEGCSA-N 1 0 245.326 2.112 10 30 BEEERO C=CC[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000002033237 166398858 /nfs/dbraw/zinc/39/88/58/166398858.db2.gz LVVAGBXKTGFQQG-UHFFFAOYSA-N 1 0 238.718 2.363 10 30 BEEERO N#Cc1ccnc(SC[C@@H]2CCC[NH2+]C2)c1 ZINC000095072095 181157817 /nfs/dbraw/zinc/15/78/17/181157817.db2.gz KIKSVBSKHMGPNY-LLVKDONJSA-N 1 0 233.340 2.045 10 30 BEEERO [NH2+]=C(CS)NCC12CCC(CC1)CC2 ZINC000169331438 181185517 /nfs/dbraw/zinc/18/55/17/181185517.db2.gz KRDGXCGVNPGBAM-UHFFFAOYSA-N 1 0 212.362 2.453 10 30 BEEERO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000335792101 355444361 /nfs/dbraw/zinc/44/43/61/355444361.db2.gz FPMRFZDCFZKWCQ-STQMWFEESA-N 1 0 244.338 2.362 10 30 BEEERO C[C@H]([NH3+])C#Cc1cscc1Br ZINC000167001391 355948537 /nfs/dbraw/zinc/94/85/37/355948537.db2.gz FQYHWLDHVDMSAC-LURJTMIESA-N 1 0 230.130 2.209 10 30 BEEERO C=C(Cl)CN1C[C@](C)(CC)[NH2+]C[C@H]1C ZINC000168120180 356493569 /nfs/dbraw/zinc/49/35/69/356493569.db2.gz KXAGJBVCQHJMES-MNOVXSKESA-N 1 0 216.756 2.201 10 30 BEEERO O=C[C@@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059185 538484188 /nfs/dbraw/zinc/48/41/88/538484188.db2.gz CGGJLWHSUWUAEE-GXSJLCMTSA-N 1 0 231.286 2.237 10 30 BEEERO C#CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959140 134161511 /nfs/dbraw/zinc/16/15/11/134161511.db2.gz IXURGPGYPHAKLH-GFCCVEGCSA-N 1 0 218.256 2.269 10 30 BEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035139664 134161561 /nfs/dbraw/zinc/16/15/61/134161561.db2.gz GCKPNSKLOOFPJO-VHSXEESVSA-N 1 0 238.356 2.089 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@@H](C)O1 ZINC000384984220 356834768 /nfs/dbraw/zinc/83/47/68/356834768.db2.gz URBONONACCEKSW-VEGXAWMVSA-N 1 0 222.332 2.224 10 30 BEEERO CC#CC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000119409407 134226640 /nfs/dbraw/zinc/22/66/40/134226640.db2.gz ITVWPGUTIPRBGG-GFCCVEGCSA-N 1 0 219.332 2.101 10 30 BEEERO N#Cc1cccc(COCC2CC[NH2+]CC2)c1 ZINC000051815019 358077183 /nfs/dbraw/zinc/07/71/83/358077183.db2.gz TZBDFUQACWGRHO-UHFFFAOYSA-N 1 0 230.311 2.074 10 30 BEEERO CC[NH2+][C@H](C)CNc1ccc(C#N)cc1F ZINC000387457599 366386534 /nfs/dbraw/zinc/38/65/34/366386534.db2.gz OWDSYCQPVFIQRE-SECBINFHSA-N 1 0 221.279 2.107 10 30 BEEERO N#Cc1cccc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052759568 358229692 /nfs/dbraw/zinc/22/96/92/358229692.db2.gz HPCKQVOIRYFEPF-HNNXBMFYSA-N 1 0 244.338 2.295 10 30 BEEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052759565 358229840 /nfs/dbraw/zinc/22/98/40/358229840.db2.gz YVDJVHFRDOOZQT-OAHLLOKOSA-N 1 0 244.338 2.295 10 30 BEEERO C[C@@H](CC#N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000584620740 358287953 /nfs/dbraw/zinc/28/79/53/358287953.db2.gz VFOOHVNLBLVVDS-AWEZNQCLSA-N 1 0 243.354 2.358 10 30 BEEERO COc1ccc2[nH]cc([C@H](C#N)[C@H](C)[NH3+])c2c1 ZINC000584618845 358285012 /nfs/dbraw/zinc/28/50/12/358285012.db2.gz SVBGSYFPFLTREK-GZMMTYOYSA-N 1 0 229.283 2.131 10 30 BEEERO C=CC[N@H+]1CCC2(C1)C[C@H](C)O[C@@H](C)C2 ZINC000584640913 358327230 /nfs/dbraw/zinc/32/72/30/358327230.db2.gz QZZBKYVXZJMYTO-RYUDHWBXSA-N 1 0 209.333 2.452 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000132909283 358739387 /nfs/dbraw/zinc/73/93/87/358739387.db2.gz KZIQCUJYFFJDAO-UPJWGTAASA-N 1 0 221.344 2.193 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000130294366 359027505 /nfs/dbraw/zinc/02/75/05/359027505.db2.gz OCIQNPPWOPWAML-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C=CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246996468 359181429 /nfs/dbraw/zinc/18/14/29/359181429.db2.gz PSFOZDGVPUNSSQ-OLZOCXBDSA-N 1 0 236.359 2.038 10 30 BEEERO C#CC[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180221 359650187 /nfs/dbraw/zinc/65/01/87/359650187.db2.gz OFUGYRYPCTWZAO-UHFFFAOYSA-N 1 0 209.676 2.071 10 30 BEEERO CC(C)(CCC#N)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000092616268 360184885 /nfs/dbraw/zinc/18/48/85/360184885.db2.gz JHNREXGXKWCRPS-CQSZACIVSA-N 1 0 249.402 2.486 10 30 BEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097793 360218966 /nfs/dbraw/zinc/21/89/66/360218966.db2.gz KIWUMJSOJMATSM-ZIAGYGMSSA-N 1 0 249.402 2.485 10 30 BEEERO CC(C)(C#N)CCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952614 360292483 /nfs/dbraw/zinc/29/24/83/360292483.db2.gz BESMCDTZUNCORY-CQSZACIVSA-N 1 0 249.402 2.486 10 30 BEEERO CC#CC[NH2+][C@H]1CCC[C@H]1C(F)(F)F ZINC000306561650 360438959 /nfs/dbraw/zinc/43/89/59/360438959.db2.gz NIRVRHPQSLIAMB-BDAKNGLRSA-N 1 0 205.223 2.330 10 30 BEEERO C=C([C@@H]([NH3+])[C@]1(C)CCCO1)C(F)(F)F ZINC000306561737 360438967 /nfs/dbraw/zinc/43/89/67/360438967.db2.gz NRYPPJJBIBKELX-SFYZADRCSA-N 1 0 209.211 2.001 10 30 BEEERO C=C(CS)C[N@H+]1CCSCC[C@H]1C ZINC000306625606 361284964 /nfs/dbraw/zinc/28/49/64/361284964.db2.gz HAEGMIHYYIFGEJ-SNVBAGLBSA-N 1 0 217.403 2.300 10 30 BEEERO [NH3+]CC#Cc1cccc(COCC(F)(F)F)c1 ZINC000049610356 181346021 /nfs/dbraw/zinc/34/60/21/181346021.db2.gz AHVXDFDNBXAHNA-UHFFFAOYSA-N 1 0 243.228 2.076 10 30 BEEERO [NH3+]CC#Cc1cc(F)ccc1COC1CCC1 ZINC000050521143 181346341 /nfs/dbraw/zinc/34/63/41/181346341.db2.gz HCOHPAIAWUVGFX-UHFFFAOYSA-N 1 0 233.286 2.205 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCOC1 ZINC000388916981 364224313 /nfs/dbraw/zinc/22/43/13/364224313.db2.gz ORVDQWIZXGEASA-RFQIPJPRSA-N 1 0 236.359 2.473 10 30 BEEERO C[C@H]1OCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000134545826 364405199 /nfs/dbraw/zinc/40/51/99/364405199.db2.gz GDVMYMYHXNNOAB-GHMZBOCLSA-N 1 0 210.321 2.083 10 30 BEEERO CC(C)SCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000336683430 365351275 /nfs/dbraw/zinc/35/12/75/365351275.db2.gz IVGJCTGFOBYHGW-QWRGUYRKSA-N 1 0 212.362 2.410 10 30 BEEERO C=CCCC[N@@H+](C)Cc1ncccc1C(=O)OC ZINC000382530546 367533196 /nfs/dbraw/zinc/53/31/96/367533196.db2.gz KJXGVARRGSYMTD-UHFFFAOYSA-N 1 0 248.326 2.266 10 30 BEEERO C#CC[C@H]([NH3+])Cc1ccccc1Br ZINC000055335212 369192746 /nfs/dbraw/zinc/19/27/46/369192746.db2.gz DITMUHBOJKRMPU-JTQLQIEISA-N 1 0 238.128 2.342 10 30 BEEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)c(F)c1 ZINC000404692743 369433371 /nfs/dbraw/zinc/43/33/71/369433371.db2.gz TZMXFTCUIXYJOW-UHFFFAOYSA-N 1 0 233.290 2.238 10 30 BEEERO C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1C[NH3+] ZINC000600961094 369580769 /nfs/dbraw/zinc/58/07/69/369580769.db2.gz LJYWHPQFPAYUOQ-ONGXEEELSA-N 1 0 249.745 2.243 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000251114424 369671546 /nfs/dbraw/zinc/67/15/46/369671546.db2.gz CWCJTXBADYTXAU-TUAOUCFPSA-N 1 0 222.332 2.226 10 30 BEEERO C[N@H+](CC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000110897397 369999006 /nfs/dbraw/zinc/99/90/06/369999006.db2.gz YZEYGNBLTSZXKJ-CHWSQXEVSA-N 1 0 222.332 2.037 10 30 BEEERO CC[C@H]1CN(c2ccc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000251936340 369994235 /nfs/dbraw/zinc/99/42/35/369994235.db2.gz ZTVNOPUBUZGVCW-WCQYABFASA-N 1 0 247.317 2.261 10 30 BEEERO C[C@H]([NH3+])CCNc1ccc(C#N)c(Cl)c1 ZINC000063171408 370138534 /nfs/dbraw/zinc/13/85/34/370138534.db2.gz BVJTVUICRQYPJN-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO CC(C)(C)OCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000308514770 370142632 /nfs/dbraw/zinc/14/26/32/370142632.db2.gz UBPHYBXFSMYZDR-VXGBXAGGSA-N 1 0 224.348 2.473 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390110819 371187472 /nfs/dbraw/zinc/18/74/72/371187472.db2.gz WSXSUUCWIUAABM-GJZGRUSLSA-N 1 0 244.338 2.485 10 30 BEEERO CN1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702626 371544558 /nfs/dbraw/zinc/54/45/58/371544558.db2.gz NDBCNRLYFSRGOF-LBPRGKRZSA-N 1 0 223.364 2.000 10 30 BEEERO C=C(C)[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228106736 371991617 /nfs/dbraw/zinc/99/16/17/371991617.db2.gz QBMQCAYXQLEUHX-VGMNWLOBSA-N 1 0 203.376 2.127 10 30 BEEERO CCC[N@H+](CC)CCNc1cc(C#N)cc(C)n1 ZINC000218038890 372050641 /nfs/dbraw/zinc/05/06/41/372050641.db2.gz TZWOIWFDAXVKSF-UHFFFAOYSA-N 1 0 246.358 2.406 10 30 BEEERO CCC[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617738 169081294 /nfs/dbraw/zinc/08/12/94/169081294.db2.gz OUMIPUGQDSROKN-UHFFFAOYSA-N 1 0 235.302 2.011 10 30 BEEERO CCC[N@H+](Cc1ccc(C#CCO)cc1)C1CC1 ZINC000049617689 169176159 /nfs/dbraw/zinc/17/61/59/169176159.db2.gz NYBUZFOVLLSRMM-UHFFFAOYSA-N 1 0 243.350 2.405 10 30 BEEERO CCC[NH+]1CCN([C@@H]2CCCC[C@H]2C#N)CC1 ZINC000037146445 169203669 /nfs/dbraw/zinc/20/36/69/169203669.db2.gz UXVMZCZXIYDAPS-UONOGXRCSA-N 1 0 235.375 2.096 10 30 BEEERO N#Cc1c(F)cccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334992010 384005085 /nfs/dbraw/zinc/00/50/85/384005085.db2.gz HIUSCFHOCRYCJB-PHIMTYICSA-N 1 0 245.301 2.028 10 30 BEEERO O=C1CCCC2=C1C[C@@H]1CCC[NH2+][C@@H]1C2 ZINC000091306031 384118998 /nfs/dbraw/zinc/11/89/98/384118998.db2.gz NMGHGESTNHOUEE-CMPLNLGQSA-N 1 0 205.301 2.198 10 30 BEEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000165060515 384372264 /nfs/dbraw/zinc/37/22/64/384372264.db2.gz IECFZRJJBQGYAR-SKDRFNHKSA-N 1 0 204.273 2.429 10 30 BEEERO Cc1cc(NC[C@@H]2CCCOC2)c(C#N)c(C)n1 ZINC000157421823 384447679 /nfs/dbraw/zinc/44/76/79/384447679.db2.gz HFHGZHWNYABSIS-LBPRGKRZSA-N 1 0 245.326 2.409 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000310831520 384498364 /nfs/dbraw/zinc/49/83/64/384498364.db2.gz KGTAPTFGMIJGHN-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO C[NH+](C)[C@@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000110258771 384491343 /nfs/dbraw/zinc/49/13/43/384491343.db2.gz WXWINYGFVODIMK-SNVBAGLBSA-N 1 0 249.745 2.352 10 30 BEEERO C#CCC[NH+]1CCC(c2nccs2)CC1 ZINC000363473154 384609846 /nfs/dbraw/zinc/60/98/46/384609846.db2.gz YTVDBFHJDUCLDR-UHFFFAOYSA-N 1 0 220.341 2.346 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H](C)CCCC[NH3+])n1 ZINC000311031770 384665414 /nfs/dbraw/zinc/66/54/14/384665414.db2.gz SVFCEELKGXXOKZ-LLVKDONJSA-N 1 0 246.358 2.500 10 30 BEEERO CO[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814424 384707111 /nfs/dbraw/zinc/70/71/11/384707111.db2.gz TUZRLIDAUGCJSM-HUUCEWRRSA-N 1 0 229.323 2.195 10 30 BEEERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000119682289 384942790 /nfs/dbraw/zinc/94/27/90/384942790.db2.gz YNFLPRYJTUZAEI-PHIMTYICSA-N 1 0 210.321 2.035 10 30 BEEERO C[NH+](C)CCC/N=C/c1cc(Cl)ccc1O ZINC000049946926 384945231 /nfs/dbraw/zinc/94/52/31/384945231.db2.gz ACCHLSUQPLJGNU-NTEUORMPSA-N 1 0 240.734 2.416 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300234933 385302271 /nfs/dbraw/zinc/30/22/71/385302271.db2.gz YCLPGHRMNNPPHF-OUAUKWLOSA-N 1 0 210.346 2.021 10 30 BEEERO Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308241882 385413413 /nfs/dbraw/zinc/41/34/13/385413413.db2.gz QDBMEIOIWDKESH-FZMZJTMJSA-N 1 0 244.342 2.191 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000364851935 385529418 /nfs/dbraw/zinc/52/94/18/385529418.db2.gz PPWWLEPWRQKNJS-GFCCVEGCSA-N 1 0 224.348 2.021 10 30 BEEERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCC#N)C12CCC2 ZINC000309529886 385665497 /nfs/dbraw/zinc/66/54/97/385665497.db2.gz DCOBPGLKGMULML-SDDRHHMPSA-N 1 0 222.332 2.083 10 30 BEEERO N#CCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000309577774 385709726 /nfs/dbraw/zinc/70/97/26/385709726.db2.gz PIRJJECFSNAVHD-UHFFFAOYSA-N 1 0 215.300 2.221 10 30 BEEERO C#CCCC[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000309608863 385740245 /nfs/dbraw/zinc/74/02/45/385740245.db2.gz ZJKUKKJSUNKLSC-XQQFMLRXSA-N 1 0 221.344 2.193 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000086402027 385774733 /nfs/dbraw/zinc/77/47/33/385774733.db2.gz DYARIXDICGUEJV-WCQYABFASA-N 1 0 215.300 2.240 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCCOC1 ZINC000309589770 385719546 /nfs/dbraw/zinc/71/95/46/385719546.db2.gz ULSATMDYARTERU-WUHRBBMRSA-N 1 0 222.332 2.083 10 30 BEEERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164564577 386039156 /nfs/dbraw/zinc/03/91/56/386039156.db2.gz CGVFRSMTLUXCLQ-NSHDSACASA-N 1 0 226.364 2.313 10 30 BEEERO C/[N+](O)=C/c1ccc(C(F)(F)F)cc1 ZINC000575349455 386722036 /nfs/dbraw/zinc/72/20/36/386722036.db2.gz OHOVWQNOFQYNRL-MLPAPPSSSA-N 1 0 204.171 2.156 10 30 BEEERO CC#CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000051663386 386834446 /nfs/dbraw/zinc/83/44/46/386834446.db2.gz ZSGHEJMCABLHPJ-LLVKDONJSA-N 1 0 233.311 2.378 10 30 BEEERO CCCC[N@@H+](CC#Cc1ccccc1)CCO ZINC000051814905 386869282 /nfs/dbraw/zinc/86/92/82/386869282.db2.gz ZEZQXYGQYPSZQB-UHFFFAOYSA-N 1 0 231.339 2.133 10 30 BEEERO C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCO1 ZINC000051814134 386869847 /nfs/dbraw/zinc/86/98/47/386869847.db2.gz FZBSFMUWOQDZIO-DZGCQCFKSA-N 1 0 229.323 2.195 10 30 BEEERO C=CCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398794550 386993150 /nfs/dbraw/zinc/99/31/50/386993150.db2.gz QXKQAMGAONCOKO-RWMBFGLXSA-N 1 0 209.333 2.045 10 30 BEEERO C=CCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398794552 386993624 /nfs/dbraw/zinc/99/36/24/386993624.db2.gz QXKQAMGAONCOKO-XQQFMLRXSA-N 1 0 209.333 2.045 10 30 BEEERO C[C@@H]1C[NH2+]C[C@@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000211931952 387010632 /nfs/dbraw/zinc/01/06/32/387010632.db2.gz AFXKCCTYKMXJQQ-NXEZZACHSA-N 1 0 249.745 2.398 10 30 BEEERO C=CC1CC[NH+](C[C@H](O)COCCCC)CC1 ZINC000193380517 387106035 /nfs/dbraw/zinc/10/60/35/387106035.db2.gz WSSNZBLQQPHNRY-AWEZNQCLSA-N 1 0 241.375 2.062 10 30 BEEERO N#Cc1cc([C@@H]([NH3+])CC(F)F)ccc1F ZINC000575437823 387111466 /nfs/dbraw/zinc/11/14/66/387111466.db2.gz VRSUACNCDHDBAC-VIFPVBQESA-N 1 0 214.190 2.352 10 30 BEEERO C=CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)OC ZINC000584599506 387501393 /nfs/dbraw/zinc/50/13/93/387501393.db2.gz NIMWKXSTXFBZCR-CQSZACIVSA-N 1 0 247.338 2.327 10 30 BEEERO C=CC[N@H+]1CC[C@@]2(C1)C[C@@H](C)O[C@@H](C)C2 ZINC000584640912 387507093 /nfs/dbraw/zinc/50/70/93/387507093.db2.gz QZZBKYVXZJMYTO-CLLJXQQHSA-N 1 0 209.333 2.452 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503552 387828294 /nfs/dbraw/zinc/82/82/94/387828294.db2.gz SJVLEYCKJZDZPF-LBPRGKRZSA-N 1 0 235.331 2.209 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCC#N ZINC000083704479 388059267 /nfs/dbraw/zinc/05/92/67/388059267.db2.gz QIZUOCUILZZCJJ-ZIAGYGMSSA-N 1 0 235.375 2.239 10 30 BEEERO C=CCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000086929558 388109950 /nfs/dbraw/zinc/10/99/50/388109950.db2.gz SNFBJEUJVGMCSM-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO C=C(Cl)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246275745 388628418 /nfs/dbraw/zinc/62/84/18/388628418.db2.gz MXBYKDOGNVIMKA-NEPJUHHUSA-N 1 0 228.767 2.298 10 30 BEEERO CCCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123143766 388628606 /nfs/dbraw/zinc/62/86/06/388628606.db2.gz IJNIMVIDBUEXBN-UHFFFAOYSA-N 1 0 242.326 2.486 10 30 BEEERO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)cc(C#N)n1 ZINC000308239804 388658425 /nfs/dbraw/zinc/65/84/25/388658425.db2.gz LTKJFFALZORBTK-AWEZNQCLSA-N 1 0 246.358 2.071 10 30 BEEERO C[C@H]([NH3+])CCNc1c(C#N)cnc2ccccc21 ZINC000063171484 388660136 /nfs/dbraw/zinc/66/01/36/388660136.db2.gz FYKTXIXVYXFQCZ-JTQLQIEISA-N 1 0 240.310 2.256 10 30 BEEERO N#Cc1ccc(N2CCC(C[NH3+])CC2)cc1Cl ZINC000061847027 132239533 /nfs/dbraw/zinc/23/95/33/132239533.db2.gz QHKQOCFLIRXUOJ-UHFFFAOYSA-N 1 0 249.745 2.387 10 30 BEEERO C[C@@H]1CCN(c2ccc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000235349372 132392027 /nfs/dbraw/zinc/39/20/27/132392027.db2.gz FPHJBBQYSWKLJD-ZYHUDNBSSA-N 1 0 247.317 2.261 10 30 BEEERO C=CC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162584289 133521625 /nfs/dbraw/zinc/52/16/25/133521625.db2.gz WWOBWCXOMJXRIU-KXNHARMFSA-N 1 0 209.333 2.354 10 30 BEEERO C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000162568645 133521634 /nfs/dbraw/zinc/52/16/34/133521634.db2.gz ONNYVIAUOWQOOL-YNEHKIRRSA-N 1 0 221.344 2.336 10 30 BEEERO CC#CCC[NH2+]Cc1ccn(CCC)c1 ZINC000125517043 134608684 /nfs/dbraw/zinc/60/86/84/134608684.db2.gz HZPFCDMZYBCLHM-UHFFFAOYSA-N 1 0 204.317 2.401 10 30 BEEERO C=CCSCC[NH2+][C@H]1CCCSC1 ZINC000134810788 134723606 /nfs/dbraw/zinc/72/36/06/134723606.db2.gz KPWHCRDUIWXRMS-JTQLQIEISA-N 1 0 217.403 2.391 10 30 BEEERO C=CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247074991 134971945 /nfs/dbraw/zinc/97/19/45/134971945.db2.gz VALHMIWVDAQSOB-STQMWFEESA-N 1 0 236.359 2.038 10 30 BEEERO C[C@@H](C#N)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248447363 135011038 /nfs/dbraw/zinc/01/10/38/135011038.db2.gz HIDHBPCVCDENGA-GJZGRUSLSA-N 1 0 249.402 2.486 10 30 BEEERO C=CCCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000102340365 135079436 /nfs/dbraw/zinc/07/94/36/135079436.db2.gz DNSNZRKAYACVEL-UHFFFAOYSA-N 1 0 238.375 2.333 10 30 BEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(C)(C)C#N ZINC000252692987 135096728 /nfs/dbraw/zinc/09/67/28/135096728.db2.gz FJJJFRCZFVYMEU-OLZOCXBDSA-N 1 0 235.375 2.095 10 30 BEEERO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253093377 135121081 /nfs/dbraw/zinc/12/10/81/135121081.db2.gz MHUFPHKZXHZEKS-UPJWGTAASA-N 1 0 209.333 2.188 10 30 BEEERO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253093378 135121296 /nfs/dbraw/zinc/12/12/96/135121296.db2.gz MHUFPHKZXHZEKS-YNEHKIRRSA-N 1 0 209.333 2.188 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253097601 135121382 /nfs/dbraw/zinc/12/13/82/135121382.db2.gz RUULJQABLFHPDD-KFWWJZLASA-N 1 0 235.371 2.415 10 30 BEEERO C[C@H]1CCN(c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261542870 135183047 /nfs/dbraw/zinc/18/30/47/135183047.db2.gz QYVDQDYIUPXTBN-FZMZJTMJSA-N 1 0 229.327 2.122 10 30 BEEERO C[C@H]1CCN(c2ccc(F)cc2C#N)[C@H](C[NH3+])C1 ZINC000261549419 135188035 /nfs/dbraw/zinc/18/80/35/135188035.db2.gz ISSLASLFGPXLPV-GWCFXTLKSA-N 1 0 247.317 2.261 10 30 BEEERO C=CC[N@@H+](CCc1ccccc1)CC(C)(C)O ZINC000120866505 135220829 /nfs/dbraw/zinc/22/08/29/135220829.db2.gz ROPMIWFQORZMLP-UHFFFAOYSA-N 1 0 233.355 2.488 10 30 BEEERO C[NH+]=C(NCC1CCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261761434 135250378 /nfs/dbraw/zinc/25/03/78/135250378.db2.gz OGWJFPLKBFWYMT-OKILXGFUSA-N 1 0 249.402 2.484 10 30 BEEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)cc1 ZINC000261979198 135269109 /nfs/dbraw/zinc/26/91/09/135269109.db2.gz HIOHUBMTOCGNOE-BXKDBHETSA-N 1 0 217.316 2.384 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1ccc(F)cc1 ZINC000262593023 135308125 /nfs/dbraw/zinc/30/81/25/135308125.db2.gz VOMOZONTJJZBJG-GXFFZTMASA-N 1 0 249.333 2.241 10 30 BEEERO CC[C@@]1(C(C)C)C[C@@H]1NC1=[NH+]CCCN1C ZINC000263072318 135331435 /nfs/dbraw/zinc/33/14/35/135331435.db2.gz GWRLIXJAEGURRS-AAEUAGOBSA-N 1 0 223.364 2.092 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263274502 135343633 /nfs/dbraw/zinc/34/36/33/135343633.db2.gz PYIXWGOVKTUQIQ-NSHDSACASA-N 1 0 221.348 2.190 10 30 BEEERO N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000334991314 135859691 /nfs/dbraw/zinc/85/96/91/135859691.db2.gz DFJVSPUVAAEWEW-TXEJJXNPSA-N 1 0 245.301 2.028 10 30 BEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295049349 398104172 /nfs/dbraw/zinc/10/41/72/398104172.db2.gz PHVLSHJHEWXADC-YGRLFVJLSA-N 1 0 248.301 2.043 10 30 BEEERO CC(C)C[NH2+]C[C@@H]1CCCCN1CCCC#N ZINC000104414821 167006550 /nfs/dbraw/zinc/00/65/50/167006550.db2.gz MUBYWSRIPADBJE-AWEZNQCLSA-N 1 0 237.391 2.390 10 30 BEEERO C#CCCOc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000037726084 166150397 /nfs/dbraw/zinc/15/03/97/166150397.db2.gz RZATVJXCWZAWQT-GFCCVEGCSA-N 1 0 247.338 2.377 10 30 BEEERO C#CCC[C@@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000104358602 166151721 /nfs/dbraw/zinc/15/17/21/166151721.db2.gz WSEKRFLAWDODKF-OAHLLOKOSA-N 1 0 243.350 2.476 10 30 BEEERO C#CC[NH2+]C[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585848 166187663 /nfs/dbraw/zinc/18/76/63/166187663.db2.gz MXJXCHTYBVYCKL-GFCCVEGCSA-N 1 0 229.323 2.165 10 30 BEEERO C#CC[NH2+]C[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962293 166187760 /nfs/dbraw/zinc/18/77/60/166187760.db2.gz WESWFLNZHNRPSY-CYBMUJFWSA-N 1 0 239.322 2.334 10 30 BEEERO C#CC[NH2+]C[C@@H](C)OC/C=C/c1ccccc1 ZINC000053559890 166187803 /nfs/dbraw/zinc/18/78/03/166187803.db2.gz OQITUJBFRLAZHA-DNGMOHDESA-N 1 0 229.323 2.328 10 30 BEEERO C#CC[NH2+]C[C@@H](C)n1cnc2cc(C)c(C)cc21 ZINC000053522311 166188130 /nfs/dbraw/zinc/18/81/30/166188130.db2.gz POSCBRQRIBNZEV-CYBMUJFWSA-N 1 0 241.338 2.437 10 30 BEEERO C#CC[NH2+]C[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585847 166188865 /nfs/dbraw/zinc/18/88/65/166188865.db2.gz MXJXCHTYBVYCKL-LBPRGKRZSA-N 1 0 229.323 2.165 10 30 BEEERO C#CC[NH2+]C[C@H](C)OCCCc1ccccc1 ZINC000053592016 166188871 /nfs/dbraw/zinc/18/88/71/166188871.db2.gz WAVCQUQTPBYBRQ-AWEZNQCLSA-N 1 0 231.339 2.247 10 30 BEEERO C#CC[NH2+]C[C@H](C)n1cnc2cc(C)c(C)cc21 ZINC000053522307 166188892 /nfs/dbraw/zinc/18/88/92/166188892.db2.gz POSCBRQRIBNZEV-ZDUSSCGKSA-N 1 0 241.338 2.437 10 30 BEEERO C#CCOc1cc(C[NH2+]C)cc2occc21 ZINC000073739622 166197643 /nfs/dbraw/zinc/19/76/43/166197643.db2.gz UFZWDXMKQSNPGN-UHFFFAOYSA-N 1 0 215.252 2.164 10 30 BEEERO C=CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000037817756 166309131 /nfs/dbraw/zinc/30/91/31/166309131.db2.gz YOCBNNDSIBPXIE-CQSZACIVSA-N 1 0 246.354 2.500 10 30 BEEERO C=CCN(C(=O)[C@@](C)([NH3+])CCC)C1CCCC1 ZINC000037817696 166311392 /nfs/dbraw/zinc/31/13/92/166311392.db2.gz OJISHNIYVDDIOM-AWEZNQCLSA-N 1 0 238.375 2.461 10 30 BEEERO C=CCN(C(=O)[C@]1(CC)CCC[NH2+]C1)C(C)C ZINC000062857373 166312898 /nfs/dbraw/zinc/31/28/98/166312898.db2.gz DLFJVVAMTWHWOX-CQSZACIVSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCN(CC=C)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940630 166329124 /nfs/dbraw/zinc/32/91/24/166329124.db2.gz KJFUVMIECNAYQR-ZDUSSCGKSA-N 1 0 236.359 2.109 10 30 BEEERO C=CCN(CC=C)c1nc(C)cc(C)c1C[NH3+] ZINC000051396100 166339968 /nfs/dbraw/zinc/33/99/68/166339968.db2.gz JKYHCEPMFJAFGX-UHFFFAOYSA-N 1 0 231.343 2.336 10 30 BEEERO C=CCN1c2ccc(OC)cc2N2CCC[NH+]=C12 ZINC000005330256 166352927 /nfs/dbraw/zinc/35/29/27/166352927.db2.gz KWBSVWRWIQYHPC-UHFFFAOYSA-N 1 0 243.310 2.267 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc(F)cc1 ZINC000049814528 166398751 /nfs/dbraw/zinc/39/87/51/166398751.db2.gz RSWHTJDPAASXNU-GFCCVEGCSA-N 1 0 209.264 2.025 10 30 BEEERO C=CC[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000034510855 166399492 /nfs/dbraw/zinc/39/94/92/166399492.db2.gz XXESDWDEVMORGF-UHFFFAOYSA-N 1 0 221.300 2.022 10 30 BEEERO CC1CC[NH+](Cc2ccc(/C(N)=N/O)cc2)CC1 ZINC000019475471 168184109 /nfs/dbraw/zinc/18/41/09/168184109.db2.gz NJKUXNOSQQOLDB-UHFFFAOYSA-N 1 0 247.342 2.013 10 30 BEEERO CC1CC[NH+](Cc2ccccc2/C(N)=N/O)CC1 ZINC000019518303 168184523 /nfs/dbraw/zinc/18/45/23/168184523.db2.gz RJYVZGMLGONMTG-UHFFFAOYSA-N 1 0 247.342 2.013 10 30 BEEERO CCC(C)(C)C(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000054403975 168269427 /nfs/dbraw/zinc/26/94/27/168269427.db2.gz HGOZQTWFTIRQMC-UHFFFAOYSA-N 1 0 244.338 2.372 10 30 BEEERO CC#CCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000185035262 411399783 /nfs/dbraw/zinc/39/97/83/411399783.db2.gz ORPGHBINVHDVTL-NSHDSACASA-N 1 0 225.332 2.062 10 30 BEEERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335772 170023032 /nfs/dbraw/zinc/02/30/32/170023032.db2.gz JBWPLKKOTYWYJT-WFASDCNBSA-N 1 0 243.354 2.303 10 30 BEEERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000054590376 170121321 /nfs/dbraw/zinc/12/13/21/170121321.db2.gz KHNWSOBRHQHWPN-QWHCGFSZSA-N 1 0 200.285 2.271 10 30 BEEERO C=CCOc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808042 411600866 /nfs/dbraw/zinc/60/08/66/411600866.db2.gz ABQHYEFMLXAPBK-UHFFFAOYSA-N 1 0 247.338 2.112 10 30 BEEERO C=CCOc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657808158 411601125 /nfs/dbraw/zinc/60/11/25/411601125.db2.gz CCZAEOJRULHAMB-UHFFFAOYSA-N 1 0 247.338 2.112 10 30 BEEERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1OCC#N ZINC000037726298 170523289 /nfs/dbraw/zinc/52/32/89/170523289.db2.gz FHUDBHVBZYRJQU-LBPRGKRZSA-N 1 0 248.326 2.267 10 30 BEEERO CC[C@@H](C/C(N)=N/O)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607855 170811087 /nfs/dbraw/zinc/81/10/87/170811087.db2.gz OBNGSMRPAWECBA-SDDRHHMPSA-N 1 0 241.379 2.412 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049617203 171307354 /nfs/dbraw/zinc/30/73/54/171307354.db2.gz LUJQURBXXWURNM-ZDUSSCGKSA-N 1 0 231.339 2.261 10 30 BEEERO C=CCC1(NC(=O)C[C@@H]([NH3+])C(C)C)CCCC1 ZINC000662889245 412336125 /nfs/dbraw/zinc/33/61/25/412336125.db2.gz USDCPFOJLVVXPO-GFCCVEGCSA-N 1 0 238.375 2.365 10 30 BEEERO CN(C(=[NH2+])NC(C)(C)C)c1cccc(C#N)c1 ZINC000061984122 172291862 /nfs/dbraw/zinc/29/18/62/172291862.db2.gz GIVUCMNCKXNXFL-UHFFFAOYSA-N 1 0 230.315 2.317 10 30 BEEERO C[N@@H+](Cc1ccc(C#CCO)cc1F)CC1CC1 ZINC000049613547 172845524 /nfs/dbraw/zinc/84/55/24/172845524.db2.gz XAVBQBHIPAVFCF-UHFFFAOYSA-N 1 0 247.313 2.011 10 30 BEEERO CN(c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000061954548 172945135 /nfs/dbraw/zinc/94/51/35/172945135.db2.gz VSOWKGAISBQUNT-KBPBESRZSA-N 1 0 229.327 2.264 10 30 BEEERO C[NH+]1CCC(CNc2ccccc2C#N)CC1 ZINC000044526311 172987452 /nfs/dbraw/zinc/98/74/52/172987452.db2.gz VJSYXYBYVFMJMB-UHFFFAOYSA-N 1 0 229.327 2.312 10 30 BEEERO C[N@@H+]1CCCC[C@@H]1CNc1cccc(C#N)c1 ZINC000054239874 173004961 /nfs/dbraw/zinc/00/49/61/173004961.db2.gz NKHWUZMXCSGGPS-CQSZACIVSA-N 1 0 229.327 2.454 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846300 173126500 /nfs/dbraw/zinc/12/65/00/173126500.db2.gz AXXQRBPWYWMBAE-LLVKDONJSA-N 1 0 235.718 2.328 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857752 173154938 /nfs/dbraw/zinc/15/49/38/173154938.db2.gz ZNGPYCVEDMVEAX-NSHDSACASA-N 1 0 235.718 2.328 10 30 BEEERO C[N@H+]1[C@@H]2CC[C@H]1CC(C#N)(N1CCCCCC1)C2 ZINC000038086065 173206705 /nfs/dbraw/zinc/20/67/05/173206705.db2.gz DWNSDFMAFQKWSI-YIONKMFJSA-N 1 0 247.386 2.381 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1c(C#N)cnc2ccccc21 ZINC000051867709 173364832 /nfs/dbraw/zinc/36/48/32/173364832.db2.gz CREFCOWYUXQDOM-SNVBAGLBSA-N 1 0 241.294 2.093 10 30 BEEERO C[NH2+]Cc1ccc(OC)c(OCCCCC#N)c1 ZINC000049578251 173388810 /nfs/dbraw/zinc/38/88/10/173388810.db2.gz NUZODENJNSRBIK-UHFFFAOYSA-N 1 0 248.326 2.487 10 30 BEEERO COC1CC[NH+]([C@H]2CCCC[C@H]2C#N)CC1 ZINC000037266320 174030354 /nfs/dbraw/zinc/03/03/54/174030354.db2.gz JSSQSKPKKKRTOC-AAEUAGOBSA-N 1 0 222.332 2.180 10 30 BEEERO COCCC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000132656518 174249291 /nfs/dbraw/zinc/24/92/91/174249291.db2.gz CGNXDHCIILWAKZ-VIFPVBQESA-N 1 0 224.329 2.307 10 30 BEEERO COc1ccc(NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000037936572 175149272 /nfs/dbraw/zinc/14/92/72/175149272.db2.gz CIMRDVAWPHJTKA-UHFFFAOYSA-N 1 0 245.326 2.095 10 30 BEEERO COc1ccc(NC[C@H](C)C#N)c(OC)c1 ZINC000032013635 175151728 /nfs/dbraw/zinc/15/17/28/175151728.db2.gz NFTAYFDYOFNYGZ-SECBINFHSA-N 1 0 220.272 2.275 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@](C#N)(NCC[NH+](C)C)C1 ZINC000037940651 176052326 /nfs/dbraw/zinc/05/23/26/176052326.db2.gz YCGYLZTUEHYWAL-TZMCWYRMSA-N 1 0 237.391 2.246 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1/C(N)=N/O ZINC000019477702 176073073 /nfs/dbraw/zinc/07/30/73/176073073.db2.gz XRBNFQVPQXXCDE-LLVKDONJSA-N 1 0 247.342 2.156 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049616050 176099023 /nfs/dbraw/zinc/09/90/23/176099023.db2.gz OMLKVWCCYULWIZ-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049616071 176100753 /nfs/dbraw/zinc/10/07/53/176100753.db2.gz XBXLETODOLPAIW-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049615261 176110313 /nfs/dbraw/zinc/11/03/13/176110313.db2.gz ZQDBEEJXDNWBEZ-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1C[NH+]=C(NCc2cccc(C#N)c2)S1 ZINC000051667918 176324335 /nfs/dbraw/zinc/32/43/35/176324335.db2.gz FCTRIRGYFTVUKR-SECBINFHSA-N 1 0 231.324 2.139 10 30 BEEERO C[C@H](C[NH+]1CCCC1)Nc1ccc(N)cc1C#N ZINC000042598773 176664277 /nfs/dbraw/zinc/66/42/77/176664277.db2.gz HZCXIVQVQBYHOU-LLVKDONJSA-N 1 0 244.342 2.037 10 30 BEEERO C[C@H]1CCCC[N@@H+]1Cc1cccc(/C(N)=N/O)c1 ZINC000019479093 177076405 /nfs/dbraw/zinc/07/64/05/177076405.db2.gz GHMCNSDXSISWTG-NSHDSACASA-N 1 0 247.342 2.156 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000124326251 177111084 /nfs/dbraw/zinc/11/10/84/177111084.db2.gz SAQGSKZBUJUMPB-NSHDSACASA-N 1 0 240.310 2.190 10 30 BEEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1F ZINC000335656474 177174205 /nfs/dbraw/zinc/17/42/05/177174205.db2.gz JHCJIABMNFLHRB-ZANVPECISA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C#N)CCCO1 ZINC000061918425 177275343 /nfs/dbraw/zinc/27/53/43/177275343.db2.gz HVBOCMYVVMZVSS-YNEHKIRRSA-N 1 0 222.332 2.180 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000120881045 177300284 /nfs/dbraw/zinc/30/02/84/177300284.db2.gz KNSJAUDCGSPYKR-RYUDHWBXSA-N 1 0 230.311 2.167 10 30 BEEERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000282401550 177363042 /nfs/dbraw/zinc/36/30/42/177363042.db2.gz YPNCIAQBUOKFPQ-ZSBIGDGJSA-N 1 0 248.326 2.444 10 30 BEEERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000052288164 177385317 /nfs/dbraw/zinc/38/53/17/177385317.db2.gz GARGIXJHYVRCAK-QPUJVOFHSA-N 1 0 204.248 2.195 10 30 BEEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000135686172 325422530 /nfs/dbraw/zinc/42/25/30/325422530.db2.gz PNTKNXIUTVRWHO-LLVKDONJSA-N 1 0 249.383 2.194 10 30 BEEERO COC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000309497205 487978437 /nfs/dbraw/zinc/97/84/37/487978437.db2.gz YSFOALZLPYVRJE-LLVKDONJSA-N 1 0 237.730 2.316 10 30 BEEERO CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000019921388 488160453 /nfs/dbraw/zinc/16/04/53/488160453.db2.gz MISUUJOYKWXOAD-UHFFFAOYSA-N 1 0 229.327 2.454 10 30 BEEERO C=C(C[NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000132310852 491135235 /nfs/dbraw/zinc/13/52/35/491135235.db2.gz XOMCETYBSSJQSS-CQSZACIVSA-N 1 0 217.312 2.468 10 30 BEEERO Cc1ccoc1CSCC[C@@](C)(N)C#N ZINC000757167563 582548703 /nfs/dbraw/zinc/54/87/03/582548703.db2.gz WWBDOJQSIHVVOD-LLVKDONJSA-N 1 0 224.329 2.452 10 30 BEEERO CC(C)(C)NC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262517274 534663716 /nfs/dbraw/zinc/66/37/16/534663716.db2.gz NDSMQSVFCAMZDM-YNEHKIRRSA-N 1 0 243.354 2.028 10 30 BEEERO C=CCCC[N@@H+](C)CCn1c(C)csc1=O ZINC000121046453 534707592 /nfs/dbraw/zinc/70/75/92/534707592.db2.gz KCQMMIYHGFGUDP-UHFFFAOYSA-N 1 0 240.372 2.116 10 30 BEEERO C=CCCC[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000121285511 534706252 /nfs/dbraw/zinc/70/62/52/534706252.db2.gz CLBLZMQREGWJNF-UHFFFAOYSA-N 1 0 247.404 2.098 10 30 BEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)OCCC ZINC000121734588 534711201 /nfs/dbraw/zinc/71/12/01/534711201.db2.gz HLLGGTVFTSKWTK-NSHDSACASA-N 1 0 213.321 2.226 10 30 BEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCCCC ZINC000121158456 534713537 /nfs/dbraw/zinc/71/35/37/534713537.db2.gz FTGNINNBFJDHOB-GFCCVEGCSA-N 1 0 226.364 2.189 10 30 BEEERO C=CCCOCC[NH2+][C@@H]1CCCSC1 ZINC000134816897 534779267 /nfs/dbraw/zinc/77/92/67/534779267.db2.gz XGSCFDQEXLLJEK-LLVKDONJSA-N 1 0 215.362 2.064 10 30 BEEERO C=CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000251858381 534855363 /nfs/dbraw/zinc/85/53/63/534855363.db2.gz SNFBJEUJVGMCSM-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000252742713 535185547 /nfs/dbraw/zinc/18/55/47/535185547.db2.gz NSLJCAXYZOTGAS-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(C#N)n2)C1 ZINC000247493530 535259608 /nfs/dbraw/zinc/25/96/08/535259608.db2.gz XBDGILRKJYGXEO-DGCLKSJQSA-N 1 0 244.342 2.094 10 30 BEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@H](C)C1 ZINC000262527991 535265106 /nfs/dbraw/zinc/26/51/06/535265106.db2.gz HGVLJOKKCPCDEG-NWDGAFQWSA-N 1 0 237.391 2.482 10 30 BEEERO CC[NH+]=C(N[C@H]1CC1(C)C)NC(C)(C)C ZINC000263244301 535266774 /nfs/dbraw/zinc/26/67/74/535266774.db2.gz MIJDNYYYYMXOIX-VIFPVBQESA-N 1 0 211.353 2.139 10 30 BEEERO C=CC[C@@H]([NH3+])C(=O)CCCOCc1ccccc1 ZINC000310016183 566342521 /nfs/dbraw/zinc/34/25/21/566342521.db2.gz OETIIEABVDHRNU-CQSZACIVSA-N 1 0 247.338 2.456 10 30 BEEERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000300366442 585501416 /nfs/dbraw/zinc/50/14/16/585501416.db2.gz WJHKRTOLWYOLOF-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000300366444 585501446 /nfs/dbraw/zinc/50/14/46/585501446.db2.gz WJHKRTOLWYOLOF-WUHRBBMRSA-N 1 0 222.332 2.226 10 30 BEEERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000300366447 585501452 /nfs/dbraw/zinc/50/14/52/585501452.db2.gz WJHKRTOLWYOLOF-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO CCCCCCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000104056339 587929212 /nfs/dbraw/zinc/92/92/12/587929212.db2.gz IHVSPBBXFANZQN-STQMWFEESA-N 1 0 240.391 2.461 10 30 BEEERO CC(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000203013842 589208939 /nfs/dbraw/zinc/20/89/39/589208939.db2.gz LULZKBVNVJMVKX-STQMWFEESA-N 1 0 231.343 2.103 10 30 BEEERO CCCC(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119422175 589283475 /nfs/dbraw/zinc/28/34/75/589283475.db2.gz FGMLHQXCUBOPLN-GFCCVEGCSA-N 1 0 225.332 2.063 10 30 BEEERO C=CC[N@@H+](C)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000121180864 589512432 /nfs/dbraw/zinc/51/24/32/589512432.db2.gz OELXSBBGDGCNML-CQSZACIVSA-N 1 0 219.328 2.455 10 30 BEEERO C=C(C)COCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000126169600 590246000 /nfs/dbraw/zinc/24/60/00/590246000.db2.gz UTUQQDXXFCIQGM-UHFFFAOYSA-N 1 0 247.342 2.314 10 30 BEEERO CCCCCCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000133648313 591844958 /nfs/dbraw/zinc/84/49/58/591844958.db2.gz NGTWOKFCXYMHPQ-LBPRGKRZSA-N 1 0 226.364 2.073 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000104162342 592602721 /nfs/dbraw/zinc/60/27/21/592602721.db2.gz CBRNQJORSBHORO-STQMWFEESA-N 1 0 229.327 2.023 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336664826 635198752 /nfs/dbraw/zinc/19/87/52/635198752.db2.gz CZBWKWGLFAHUBG-CYDGBPFRSA-N 1 0 204.317 2.457 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]C[C@H]1CCCOC1 ZINC000051814209 631936402 /nfs/dbraw/zinc/93/64/02/631936402.db2.gz BEEBGAJUDVRFPP-OAHLLOKOSA-N 1 0 229.323 2.054 10 30 BEEERO N#Cc1ccc(NC[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000309371635 632985991 /nfs/dbraw/zinc/98/59/91/632985991.db2.gz FHLZTUCJFXWQSP-NWDGAFQWSA-N 1 0 215.300 2.098 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336720769 635255872 /nfs/dbraw/zinc/25/58/72/635255872.db2.gz CZBWKWGLFAHUBG-QNWHQSFQSA-N 1 0 204.317 2.457 10 30 BEEERO CC(C)C[C@H](C[NH+](C)C)Nc1ncccc1C#N ZINC000049558266 636284006 /nfs/dbraw/zinc/28/40/06/636284006.db2.gz FVHWZOCFSBOJRP-CYBMUJFWSA-N 1 0 246.358 2.341 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1ccc(F)cc1C#N ZINC000111027483 636917109 /nfs/dbraw/zinc/91/71/09/636917109.db2.gz AVNQIHILBJXCQP-CYBMUJFWSA-N 1 0 247.317 2.276 10 30 BEEERO C#Cc1cccc(NC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000156855436 641611734 /nfs/dbraw/zinc/61/17/34/641611734.db2.gz LKBDBVZWSPJIJU-AWEZNQCLSA-N 1 0 244.338 2.337 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000070246110 643006370 /nfs/dbraw/zinc/00/63/70/643006370.db2.gz FFXWFEXWJFMXLZ-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C#CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000070245444 643006417 /nfs/dbraw/zinc/00/64/17/643006417.db2.gz DIVVIPCPQFDZLO-UHFFFAOYSA-N 1 0 243.335 2.318 10 30 BEEERO C=C[C@H](C)NC(=S)Nc1ccccc1C[NH3+] ZINC000757136052 643280493 /nfs/dbraw/zinc/28/04/93/643280493.db2.gz YLODJLBWGFTDJG-VIFPVBQESA-N 1 0 235.356 2.006 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000087029126 644495537 /nfs/dbraw/zinc/49/55/37/644495537.db2.gz WWCMSRIKJRAMQS-QWHCGFSZSA-N 1 0 236.359 2.354 10 30 BEEERO Cc1ccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)o1 ZINC000304277017 644884354 /nfs/dbraw/zinc/88/43/54/644884354.db2.gz WQFLCVMBAIEOET-QWRGUYRKSA-N 1 0 222.288 2.167 10 30 BEEERO C#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095665 644937609 /nfs/dbraw/zinc/93/76/09/644937609.db2.gz PKBFDDIQFCHMMZ-RRFJBIMHSA-N 1 0 235.371 2.415 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)OC1 ZINC000711378028 712296087 /nfs/dbraw/zinc/29/60/87/712296087.db2.gz OXHGFLNJBXEQLY-XQQFMLRXSA-N 1 0 236.359 2.473 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711402413 712297725 /nfs/dbraw/zinc/29/77/25/712297725.db2.gz XEHCXFIMEJSSAU-XQQFMLRXSA-N 1 0 234.343 2.370 10 30 BEEERO C=CC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000715045571 712504532 /nfs/dbraw/zinc/50/45/32/712504532.db2.gz HIGJBJZWLGPMCH-ZDEQEGDKSA-N 1 0 209.333 2.044 10 30 BEEERO C#CCC[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720775968 712864468 /nfs/dbraw/zinc/86/44/68/712864468.db2.gz BADVKMZBLJRFFW-NSHDSACASA-N 1 0 215.296 2.123 10 30 BEEERO C[NH2+]C[C@H](C)Nc1nc2ccccc2cc1C#N ZINC000701857309 712031241 /nfs/dbraw/zinc/03/12/41/712031241.db2.gz WCTJARDITMXRRS-JTQLQIEISA-N 1 0 240.310 2.126 10 30 BEEERO C#C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(C)(C)C ZINC000702244950 712041947 /nfs/dbraw/zinc/04/19/47/712041947.db2.gz WBMKQGQCESUSQO-AGIUHOORSA-N 1 0 221.344 2.191 10 30 BEEERO CCCCCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000705914631 712139121 /nfs/dbraw/zinc/13/91/21/712139121.db2.gz ZMCFJAJLJYFSCT-GFCCVEGCSA-N 1 0 228.380 2.446 10 30 BEEERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000708695904 712196996 /nfs/dbraw/zinc/19/69/96/712196996.db2.gz PCUTYSKNEQUWQP-RVMXOQNASA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709932260 712233873 /nfs/dbraw/zinc/23/38/73/712233873.db2.gz IJPCFDPJLJTRIT-ZYHUDNBSSA-N 1 0 235.356 2.358 10 30 BEEERO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCCO1 ZINC000710011512 712239870 /nfs/dbraw/zinc/23/98/70/712239870.db2.gz VXAUADRJQGAGSU-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO CCC1([NH3+])CCN(c2ccc(C#N)cc2)CC1 ZINC000714752532 712497058 /nfs/dbraw/zinc/49/70/58/712497058.db2.gz WJNJGJILEYLZCY-UHFFFAOYSA-N 1 0 229.327 2.266 10 30 BEEERO C=CC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000715045569 712504736 /nfs/dbraw/zinc/50/47/36/712504736.db2.gz HIGJBJZWLGPMCH-WUHRBBMRSA-N 1 0 209.333 2.044 10 30 BEEERO N#Cc1cc(Cl)ccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715153735 712512946 /nfs/dbraw/zinc/51/29/46/712512946.db2.gz ZCENPFOALDHMTK-DKTWLAJQSA-N 1 0 235.718 2.361 10 30 BEEERO C#CC[C@@H](COC)[NH2+]CC1CCC(C)CC1 ZINC000716930261 712596915 /nfs/dbraw/zinc/59/69/15/712596915.db2.gz ZDVSJJZDRMHVSC-RUXDESIVSA-N 1 0 223.360 2.441 10 30 BEEERO C#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000717840750 712691409 /nfs/dbraw/zinc/69/14/09/712691409.db2.gz JCYJPHFWVITHQZ-JHJVBQTASA-N 1 0 223.360 2.175 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380226011 712833119 /nfs/dbraw/zinc/83/31/19/712833119.db2.gz OFNRQECXYLWMSX-XQQFMLRXSA-N 1 0 220.316 2.351 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250815396 712834609 /nfs/dbraw/zinc/83/46/09/712834609.db2.gz OKPNWVXSOHLDQZ-ZNMIVQPWSA-N 1 0 244.338 2.392 10 30 BEEERO C#CCC[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720775966 712864504 /nfs/dbraw/zinc/86/45/04/712864504.db2.gz BADVKMZBLJRFFW-LLVKDONJSA-N 1 0 215.296 2.123 10 30 BEEERO CC1(C)CN(c2cc(Cl)ccc2C#N)C[C@@H]1[NH3+] ZINC000720823585 712867664 /nfs/dbraw/zinc/86/76/64/712867664.db2.gz CYTZFTJKSNALON-LBPRGKRZSA-N 1 0 249.745 2.385 10 30 BEEERO CC1(C)CN(c2ccc(C#N)c(Cl)c2)C[C@H]1[NH3+] ZINC000720823135 712867758 /nfs/dbraw/zinc/86/77/58/712867758.db2.gz ACBNWUVVZBSTBI-GFCCVEGCSA-N 1 0 249.745 2.385 10 30 BEEERO Cc1cccc(N2CCC(N=C[N+](C)(C)C)=N2)c1 ZINC000254843778 717171204 /nfs/dbraw/zinc/17/12/04/717171204.db2.gz OWZOQSUFFLQVBT-UHFFFAOYSA-N 1 0 245.350 2.253 10 30 BEEERO C=C[C@H](C)OCC(F)(F)CNC(C)C ZINC000685956007 538901563 /nfs/dbraw/zinc/90/15/63/538901563.db2.gz IJXYMPFCAVCORM-VIFPVBQESA-N 1 0 207.264 2.211 10 30 BEEERO C=C(C)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161415680 349443028 /nfs/dbraw/zinc/44/30/28/349443028.db2.gz SMAWNLAJNIYCNL-LBPRGKRZSA-N 1 0 234.347 2.054 10 30 BEEERO Cc1cc(C[NH3+])cc(C)c1O[C@@H](C)C#N ZINC000043513343 177981435 /nfs/dbraw/zinc/98/14/35/177981435.db2.gz WXAMEWHFZWFKJB-JTQLQIEISA-N 1 0 204.273 2.053 10 30 BEEERO Cc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1C#N ZINC000335604335 178036052 /nfs/dbraw/zinc/03/60/52/178036052.db2.gz XCCDIECTTIJNDV-GXFFZTMASA-N 1 0 200.285 2.365 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382482760 398173473 /nfs/dbraw/zinc/17/34/73/398173473.db2.gz XPKFRAQNPXXNBM-NWDGAFQWSA-N 1 0 244.342 2.109 10 30 BEEERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000308850086 136216814 /nfs/dbraw/zinc/21/68/14/136216814.db2.gz NWUUNVJQKZNWSV-WOPDTQHZSA-N 1 0 210.321 2.082 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000162030344 349553239 /nfs/dbraw/zinc/55/32/39/349553239.db2.gz WFGNKGVASJHKRJ-GFCCVEGCSA-N 1 0 224.348 2.021 10 30 BEEERO Cc1ccc(C#N)c(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000104173852 178362785 /nfs/dbraw/zinc/36/27/85/178362785.db2.gz SAJGXZWDZBGHEX-ZDUSSCGKSA-N 1 0 229.327 2.007 10 30 BEEERO Cc1ccc(C#N)c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000051883203 178366040 /nfs/dbraw/zinc/36/60/40/178366040.db2.gz AODNOERFTHCYGZ-GFCCVEGCSA-N 1 0 230.311 2.245 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1F ZINC000320763153 342739320 /nfs/dbraw/zinc/73/93/20/342739320.db2.gz XLJNGBACHXNWSP-IUCAKERBSA-N 1 0 221.279 2.235 10 30 BEEERO C=C(Br)CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000069723309 342823570 /nfs/dbraw/zinc/82/35/70/342823570.db2.gz CPRCLAOYISLGRF-NXEZZACHSA-N 1 0 247.180 2.097 10 30 BEEERO CCC#C[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000381368568 538999291 /nfs/dbraw/zinc/99/92/91/538999291.db2.gz GWSRHGSHPJIWEW-TZMCWYRMSA-N 1 0 217.312 2.112 10 30 BEEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000389979285 539019480 /nfs/dbraw/zinc/01/94/80/539019480.db2.gz HNRHWWGACMEOGM-WDEREUQCSA-N 1 0 209.289 2.176 10 30 BEEERO C#CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019875430 187206261 /nfs/dbraw/zinc/20/62/61/187206261.db2.gz VUPNBJZDUQOIEM-UHFFFAOYSA-N 1 0 211.264 2.268 10 30 BEEERO CC(=NNC(N)=[NH2+])c1ccc2ccccc2c1 ZINC000006672970 187248958 /nfs/dbraw/zinc/24/89/58/187248958.db2.gz GORCRNRBOCCASF-CXUHLZMHSA-N 1 0 226.283 2.047 10 30 BEEERO C[NH+]=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000005114043 187338244 /nfs/dbraw/zinc/33/82/44/187338244.db2.gz ATPATFRGZLKLMA-UHFFFAOYSA-N 1 0 200.245 2.147 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000054827418 136372993 /nfs/dbraw/zinc/37/29/93/136372993.db2.gz CIUAJLYOKGLPKQ-TZMCWYRMSA-N 1 0 230.311 2.347 10 30 BEEERO C=C[C@@H]([NH3+])c1cccc2c1OC(F)(F)O2 ZINC000095643478 187347796 /nfs/dbraw/zinc/34/77/96/187347796.db2.gz HOYYTSLDJYYJQZ-SSDOTTSWSA-N 1 0 213.183 2.194 10 30 BEEERO C=CCN(CC=C)c1cc(N)[nH+]c(C2CC2)n1 ZINC000409427975 343802299 /nfs/dbraw/zinc/80/22/99/343802299.db2.gz DIIFLKJTOVRXRV-UHFFFAOYSA-N 1 0 230.315 2.115 10 30 BEEERO O=CC1(C[NH+]2CCSCC2)CCCCC1 ZINC000051176191 346975167 /nfs/dbraw/zinc/97/51/67/346975167.db2.gz GHZSBAPXNLITDC-UHFFFAOYSA-N 1 0 227.373 2.185 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402139225 349867606 /nfs/dbraw/zinc/86/76/06/349867606.db2.gz JMOJWAPKSXDRBR-AGIUHOORSA-N 1 0 222.332 2.085 10 30 BEEERO CC(C)[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135410584 344266338 /nfs/dbraw/zinc/26/63/38/344266338.db2.gz IIIUGLJNTNMOIL-ZDUSSCGKSA-N 1 0 229.327 2.431 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000054823800 344457556 /nfs/dbraw/zinc/45/75/56/344457556.db2.gz AZCUAWVWLRNCFD-OCCSQVGLSA-N 1 0 229.327 2.296 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000135496358 344486822 /nfs/dbraw/zinc/48/68/22/344486822.db2.gz CKBLPIACCBQDDE-JTQLQIEISA-N 1 0 236.340 2.278 10 30 BEEERO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000119794872 344549676 /nfs/dbraw/zinc/54/96/76/344549676.db2.gz ZZXAUPCIAASPKU-QWHCGFSZSA-N 1 0 234.299 2.198 10 30 BEEERO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCO1 ZINC000119794579 344549901 /nfs/dbraw/zinc/54/99/01/344549901.db2.gz ZZXAUPCIAASPKU-STQMWFEESA-N 1 0 234.299 2.198 10 30 BEEERO CN/C(Cc1ccc2cc(O)ccc2c1)=[NH+]\C ZINC000029417020 344601777 /nfs/dbraw/zinc/60/17/77/344601777.db2.gz PZJSWAQHODFHDB-UHFFFAOYSA-N 1 0 228.295 2.336 10 30 BEEERO CN/C(Cc1ccc2ccccc2c1O)=[NH+]\C ZINC000029416060 344601900 /nfs/dbraw/zinc/60/19/00/344601900.db2.gz VCQAUROZTBTCTO-UHFFFAOYSA-N 1 0 228.295 2.336 10 30 BEEERO C#CC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000135524531 344742110 /nfs/dbraw/zinc/74/21/10/344742110.db2.gz PGNSHLBLKHAVFI-UHFFFAOYSA-N 1 0 204.298 2.121 10 30 BEEERO C=CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000135667271 344842179 /nfs/dbraw/zinc/84/21/79/344842179.db2.gz XUUPIANMSVSVEI-CYBMUJFWSA-N 1 0 238.375 2.285 10 30 BEEERO CC(C)C[C@H](C[NH+](C)C)NCc1ccc(C#N)o1 ZINC000135173659 187298226 /nfs/dbraw/zinc/29/82/26/187298226.db2.gz YXNRGAASGKGKDS-GFCCVEGCSA-N 1 0 249.358 2.217 10 30 BEEERO CC#CCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000155534786 345086015 /nfs/dbraw/zinc/08/60/15/345086015.db2.gz XPAKBVGEXAONDP-UHFFFAOYSA-N 1 0 245.370 2.088 10 30 BEEERO N#Cc1ccc(NCC2CC[NH2+]CC2)c(F)c1 ZINC000044509160 345097686 /nfs/dbraw/zinc/09/76/86/345097686.db2.gz DYDPXRNBBPMRRE-UHFFFAOYSA-N 1 0 233.290 2.109 10 30 BEEERO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000248603696 345431309 /nfs/dbraw/zinc/43/13/09/345431309.db2.gz BLHCJVNCCVRKKL-CHWSQXEVSA-N 1 0 238.375 2.189 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921458 345714401 /nfs/dbraw/zinc/71/44/01/345714401.db2.gz CVCULQPVWGKGII-QNWJLWSRSA-N 1 0 204.317 2.457 10 30 BEEERO O=CC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034181439 345818938 /nfs/dbraw/zinc/81/89/38/345818938.db2.gz VSBXJHJSMPWUDO-CQSZACIVSA-N 1 0 217.312 2.488 10 30 BEEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000300379924 345804719 /nfs/dbraw/zinc/80/47/19/345804719.db2.gz MCTPMZLHHMLRSU-LOWDOPEQSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@@H]([NH3+])C#Cc1sccc1Br ZINC000167006411 346178975 /nfs/dbraw/zinc/17/89/75/346178975.db2.gz JBBLMAGYWULDHU-ZCFIWIBFSA-N 1 0 230.130 2.209 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236170063 346203845 /nfs/dbraw/zinc/20/38/45/346203845.db2.gz JDQYWGLLURVHQH-STQMWFEESA-N 1 0 222.332 2.085 10 30 BEEERO C=CCOc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038006238 187318404 /nfs/dbraw/zinc/31/84/04/187318404.db2.gz MFNSHKHFAOVUNN-UHFFFAOYSA-N 1 0 243.310 2.264 10 30 BEEERO C=C[C@@H]1NCCc2c(O)ccc(Cl)c21 ZINC000083708027 187320407 /nfs/dbraw/zinc/32/04/07/187320407.db2.gz LAGGZBCFYIRPDM-VIFPVBQESA-N 1 0 209.676 2.418 10 30 BEEERO Cc1nc(C#N)sc1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000669379558 537979013 /nfs/dbraw/zinc/97/90/13/537979013.db2.gz FIRNMFVCDVHBFE-IONNQARKSA-N 1 0 221.329 2.179 10 30 BEEERO COC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000309558784 347101235 /nfs/dbraw/zinc/10/12/35/347101235.db2.gz KKFIQFLUDKTTBN-NEPJUHHUSA-N 1 0 222.332 2.227 10 30 BEEERO Cc1cccc([C@@H](C#N)NCCC[NH+](C)C)c1 ZINC000019987668 179179399 /nfs/dbraw/zinc/17/93/99/179179399.db2.gz AZDMZMGBQBZHRY-CQSZACIVSA-N 1 0 231.343 2.101 10 30 BEEERO COC1(CC[NH2+][C@@H]2CCC[C@H]2C#N)CCC1 ZINC000310537564 347292850 /nfs/dbraw/zinc/29/28/50/347292850.db2.gz BCRFCWWLUGMBPN-NWDGAFQWSA-N 1 0 222.332 2.227 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCOCC1 ZINC000300566794 347254506 /nfs/dbraw/zinc/25/45/06/347254506.db2.gz CTYYFOBVUSEWTJ-FPMFFAJLSA-N 1 0 236.359 2.473 10 30 BEEERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CCC#N ZINC000043034120 179347255 /nfs/dbraw/zinc/34/72/55/179347255.db2.gz BAXXHNZLMDWIKY-OCCSQVGLSA-N 1 0 231.343 2.229 10 30 BEEERO N#Cc1ccc(NCC2([NH3+])CCCC2)cc1 ZINC000594692033 348100468 /nfs/dbraw/zinc/10/04/68/348100468.db2.gz LEAMPXXARGXTFV-UHFFFAOYSA-N 1 0 215.300 2.242 10 30 BEEERO C=CCCSCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000594718422 348106896 /nfs/dbraw/zinc/10/68/96/348106896.db2.gz PXTAZKOTARHBHJ-LLVKDONJSA-N 1 0 231.405 2.292 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595690060 348315679 /nfs/dbraw/zinc/31/56/79/348315679.db2.gz POAAZBBEKIEKOZ-GARJFASQSA-N 1 0 244.285 2.083 10 30 BEEERO Cc1ccnc(NCC[C@@H]([NH3+])C(C)C)c1C#N ZINC000596030144 348425862 /nfs/dbraw/zinc/42/58/62/348425862.db2.gz LHMNWAJAXCPBBM-GFCCVEGCSA-N 1 0 232.331 2.047 10 30 BEEERO C[NH2+]C[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000596033655 348428013 /nfs/dbraw/zinc/42/80/13/348428013.db2.gz UTILVADKFFDIDY-MRVPVSSYSA-N 1 0 223.707 2.231 10 30 BEEERO COCCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827734 348678506 /nfs/dbraw/zinc/67/85/06/348678506.db2.gz NFSFEIRQKIUGQB-VXGBXAGGSA-N 1 0 210.321 2.085 10 30 BEEERO C=C(C)C(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616572723 349062930 /nfs/dbraw/zinc/06/29/30/349062930.db2.gz UIFXCLPGAOACAY-UHFFFAOYSA-N 1 0 230.311 2.001 10 30 BEEERO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1C#N ZINC000599434475 349173778 /nfs/dbraw/zinc/17/37/78/349173778.db2.gz BHCPPHZYEWFTOS-NHYWBVRUSA-N 1 0 244.338 2.069 10 30 BEEERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)cc1C#N ZINC000599433368 349174279 /nfs/dbraw/zinc/17/42/79/349174279.db2.gz DWPRLGUYMMJKDL-WFASDCNBSA-N 1 0 244.338 2.212 10 30 BEEERO CC#CCOc1c(Cl)cccc1C[NH3+] ZINC000159162167 349301468 /nfs/dbraw/zinc/30/14/68/349301468.db2.gz FRPZWCHPVJBXRP-UHFFFAOYSA-N 1 0 209.676 2.201 10 30 BEEERO CC(C)(CCC#N)C[NH2+]CC1(CCO)CC1 ZINC000133057868 191035972 /nfs/dbraw/zinc/03/59/72/191035972.db2.gz WJZGMJFDHQURAI-UHFFFAOYSA-N 1 0 224.348 2.069 10 30 BEEERO C=C(Cl)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000124327897 350690273 /nfs/dbraw/zinc/69/02/73/350690273.db2.gz KHEFJKRKTPPHSL-NWDGAFQWSA-N 1 0 228.767 2.298 10 30 BEEERO N#Cc1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000616604259 350792849 /nfs/dbraw/zinc/79/28/49/350792849.db2.gz BWIRSYIBWKLNKG-CYBMUJFWSA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCC[NH2+]C1 ZINC000616605852 350795562 /nfs/dbraw/zinc/79/55/62/350795562.db2.gz WWSGCVNVVXEIJM-LBPRGKRZSA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCCN1CC[NH3+] ZINC000616614203 350831285 /nfs/dbraw/zinc/83/12/85/350831285.db2.gz AQIUKVNGAOGZFG-CQSZACIVSA-N 1 0 229.327 2.044 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616615759 350850607 /nfs/dbraw/zinc/85/06/07/350850607.db2.gz AQIUKVNGAOGZFG-AWEZNQCLSA-N 1 0 229.327 2.044 10 30 BEEERO N#Cc1cccc([C@@H]2CCCC[N@H+]2CCO)c1 ZINC000616616198 350854687 /nfs/dbraw/zinc/85/46/87/350854687.db2.gz LGMZFPLNJVRUFW-AWEZNQCLSA-N 1 0 230.311 2.078 10 30 BEEERO CNC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000052069780 350901781 /nfs/dbraw/zinc/90/17/81/350901781.db2.gz LPKXLTQEQHPOCP-UHFFFAOYSA-N 1 0 218.087 2.159 10 30 BEEERO C#Cc1nc([C@H]([NH3+])C(C)(C)C)sc1C ZINC000159703599 350978091 /nfs/dbraw/zinc/97/80/91/350978091.db2.gz NQALVQDTDXEXLF-VIFPVBQESA-N 1 0 208.330 2.479 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000397974583 350995490 /nfs/dbraw/zinc/99/54/90/350995490.db2.gz OHIBDLQJRGQWAR-WYUUTHIRSA-N 1 0 224.373 2.410 10 30 BEEERO C#C[C@H](CCC)NC(=[NH2+])NCc1ccccc1 ZINC000306794389 351043677 /nfs/dbraw/zinc/04/36/77/351043677.db2.gz HSFFKOOTGZTXCN-CYBMUJFWSA-N 1 0 229.327 2.102 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCCCN1CC[NH3+] ZINC000616623820 351090048 /nfs/dbraw/zinc/09/00/48/351090048.db2.gz ISOLUYGIEWUKFA-OAHLLOKOSA-N 1 0 243.354 2.434 10 30 BEEERO N#Cc1cccc([C@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616628524 351098634 /nfs/dbraw/zinc/09/86/34/351098634.db2.gz MNQIRHCWOUXGTG-AWEZNQCLSA-N 1 0 243.354 2.086 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336719401 351145488 /nfs/dbraw/zinc/14/54/88/351145488.db2.gz YDWWGJWQAAVTAN-NDBYEHHHSA-N 1 0 217.316 2.351 10 30 BEEERO CC(C)N1CCOC[C@H]1c1ccc(C#N)cc1 ZINC000616642143 351152861 /nfs/dbraw/zinc/15/28/61/351152861.db2.gz WMLCSKQYBZWBEW-AWEZNQCLSA-N 1 0 230.311 2.340 10 30 BEEERO C[C@@H]1CC[N@H+](CC2(C=O)CCCC2)[C@H]1C ZINC000306857887 351183473 /nfs/dbraw/zinc/18/34/73/351183473.db2.gz YVJFDENKGUJGFL-NEPJUHHUSA-N 1 0 209.333 2.476 10 30 BEEERO C[C@@H]1[C@@H](C)CC[N@@H+]1CC1(C=O)CCCC1 ZINC000306857888 351183809 /nfs/dbraw/zinc/18/38/09/351183809.db2.gz YVJFDENKGUJGFL-NWDGAFQWSA-N 1 0 209.333 2.476 10 30 BEEERO CC(C)N1CCOC[C@@H]1c1ccccc1C#N ZINC000616637005 351131541 /nfs/dbraw/zinc/13/15/41/351131541.db2.gz JIPITNBRJDTLNY-CQSZACIVSA-N 1 0 230.311 2.340 10 30 BEEERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccccc1C#N ZINC000616637818 351135977 /nfs/dbraw/zinc/13/59/77/351135977.db2.gz RRRHGILKQVVPGR-CQSZACIVSA-N 1 0 243.354 2.303 10 30 BEEERO C=CC(C)(C)CC[NH2+]Cc1cnn(C)c1C ZINC000623592960 363027775 /nfs/dbraw/zinc/02/77/75/363027775.db2.gz LSBLNFIKUHTNDV-UHFFFAOYSA-N 1 0 221.348 2.420 10 30 BEEERO FC1(F)CC12CC[NH+](CCS)CC2 ZINC000404721838 351947278 /nfs/dbraw/zinc/94/72/78/351947278.db2.gz UYTGEKPWEDYXRF-UHFFFAOYSA-N 1 0 207.289 2.037 10 30 BEEERO C[N@@H+]1CC[C@H](CS)[C@@H]1c1cccnc1 ZINC000044028931 352132212 /nfs/dbraw/zinc/13/22/12/352132212.db2.gz YZZOQRDSBWHFON-MNOVXSKESA-N 1 0 208.330 2.004 10 30 BEEERO C#C[C@H]([NH3+])c1cscc1Br ZINC000404776730 352239906 /nfs/dbraw/zinc/23/99/06/352239906.db2.gz FWUBVQFOFDWIJN-ZETCQYMHSA-N 1 0 216.103 2.144 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638454266 352267345 /nfs/dbraw/zinc/26/73/45/352267345.db2.gz FSCSNLRFFLOTOY-VXGBXAGGSA-N 1 0 238.375 2.080 10 30 BEEERO N#Cc1ccc(C[NH2+]C2CC2)c(Cl)c1 ZINC000164199546 352566961 /nfs/dbraw/zinc/56/69/61/352566961.db2.gz LTLIENOEUXWMIA-UHFFFAOYSA-N 1 0 206.676 2.464 10 30 BEEERO C#C[C@@H]([NH2+]C)c1cc(Br)oc1C ZINC000307562786 352650842 /nfs/dbraw/zinc/65/08/42/352650842.db2.gz BPNAAYUFXUQQGD-MRVPVSSYSA-N 1 0 228.089 2.244 10 30 BEEERO CCN1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511867 352621357 /nfs/dbraw/zinc/62/13/57/352621357.db2.gz FEMJQOBZTSNDSC-DOMZBBRYSA-N 1 0 243.354 2.303 10 30 BEEERO C=CCN1CCc2cc([C@@H](C)[NH3+])ccc21 ZINC000095942445 166358174 /nfs/dbraw/zinc/35/81/74/166358174.db2.gz KIWRCRIUUSPJAJ-SNVBAGLBSA-N 1 0 202.301 2.255 10 30 BEEERO CC1(C#N)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383425212 352954375 /nfs/dbraw/zinc/95/43/75/352954375.db2.gz BAYWAUWHJSXBRA-STQMWFEESA-N 1 0 236.359 2.163 10 30 BEEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCCCCC ZINC000049202828 188046182 /nfs/dbraw/zinc/04/61/82/188046182.db2.gz BGCOCXFPUNBVOU-OLZOCXBDSA-N 1 0 238.375 2.073 10 30 BEEERO C#C[C@@H]([NH3+])c1c(F)cccc1Br ZINC000165151858 353166471 /nfs/dbraw/zinc/16/64/71/353166471.db2.gz ZYILIXRWHKKURH-MRVPVSSYSA-N 1 0 228.064 2.221 10 30 BEEERO CC(C)C[C@H](C)[N@H+](C)C[C@]1(C=O)CCCOC1 ZINC000104305852 188324395 /nfs/dbraw/zinc/32/43/95/188324395.db2.gz HOEZBSQPLSYMAI-KBPBESRZSA-N 1 0 241.375 2.349 10 30 BEEERO C=C(C)[C@H]([NH3+])c1ncccc1Br ZINC000133205558 353402973 /nfs/dbraw/zinc/40/29/73/353402973.db2.gz VJLZMWZHOFACSJ-QMMMGPOBSA-N 1 0 227.105 2.420 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000231871799 353665004 /nfs/dbraw/zinc/66/50/04/353665004.db2.gz ZILQWDDQFAFWOI-SSDOTTSWSA-N 1 0 246.054 2.360 10 30 BEEERO CC(C)[C@H]([NH3+])C#Cc1occc1Br ZINC000300977511 363247975 /nfs/dbraw/zinc/24/79/75/363247975.db2.gz SZDMNFZSAPYUQK-SECBINFHSA-N 1 0 242.116 2.377 10 30 BEEERO C=CCOCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296598753 353825281 /nfs/dbraw/zinc/82/52/81/353825281.db2.gz GATUPPPSKQUVEX-CYBMUJFWSA-N 1 0 233.311 2.172 10 30 BEEERO N#CCCN(C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042548406 181036919 /nfs/dbraw/zinc/03/69/19/181036919.db2.gz CUBUATVWWCRUFL-QWHCGFSZSA-N 1 0 221.348 2.024 10 30 BEEERO N#CCCN([C@@H](C[NH3+])c1cccc(F)c1)C1CC1 ZINC000042972982 181037165 /nfs/dbraw/zinc/03/71/65/181037165.db2.gz ZFGNHKIQYWZVIR-AWEZNQCLSA-N 1 0 247.317 2.204 10 30 BEEERO N#CCCN([C@H](C[NH3+])c1ccc(F)cc1)C1CC1 ZINC000042915611 181037190 /nfs/dbraw/zinc/03/71/90/181037190.db2.gz MRKUPNAKQVLAAI-CQSZACIVSA-N 1 0 247.317 2.204 10 30 BEEERO N#CCCN(C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042548412 181037337 /nfs/dbraw/zinc/03/73/37/181037337.db2.gz CUBUATVWWCRUFL-STQMWFEESA-N 1 0 221.348 2.024 10 30 BEEERO N#CCCN([C@@H](C[NH3+])c1ccccc1F)C1CC1 ZINC000043045656 181037400 /nfs/dbraw/zinc/03/74/00/181037400.db2.gz MPDPLNPHXMPRID-AWEZNQCLSA-N 1 0 247.317 2.204 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042863391 166388094 /nfs/dbraw/zinc/38/80/94/166388094.db2.gz XZFGYWCGULWENS-AVGNSLFASA-N 1 0 238.375 2.093 10 30 BEEERO N#C[C@H](c1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000037940458 181066718 /nfs/dbraw/zinc/06/67/18/181066718.db2.gz DYRNFDJIEYDYGO-CYBMUJFWSA-N 1 0 249.745 2.200 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000054827344 181058627 /nfs/dbraw/zinc/05/86/27/181058627.db2.gz CMFCFLBHCFUQSR-UONOGXRCSA-N 1 0 235.375 2.144 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000054825935 181060135 /nfs/dbraw/zinc/06/01/35/181060135.db2.gz HQKAVHCXSBXQRW-CMPLNLGQSA-N 1 0 204.273 2.104 10 30 BEEERO N#C[C@H]1CCCCC[C@H]1[NH2+]C1CCOCC1 ZINC000054825377 181067701 /nfs/dbraw/zinc/06/77/01/181067701.db2.gz JQEIVZYFWNVVOT-DGCLKSJQSA-N 1 0 222.332 2.227 10 30 BEEERO N#C[C@H]1CCC[C@H]1[N@@H+](CCO)C1CCCCC1 ZINC000042505766 181069329 /nfs/dbraw/zinc/06/93/29/181069329.db2.gz PBRFUVCQACJVOE-TZMCWYRMSA-N 1 0 236.359 2.306 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335576339 181075972 /nfs/dbraw/zinc/07/59/72/181075972.db2.gz BWTDQZRVQSZPPF-VHSXEESVSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1cc(CC[NH3+])cc(C(F)(F)F)c1 ZINC000095764837 181085186 /nfs/dbraw/zinc/08/51/86/181085186.db2.gz IEIPRLBDLWWNBH-UHFFFAOYSA-N 1 0 214.190 2.078 10 30 BEEERO N#Cc1cc(C[NH2+]Cc2ccncc2)ccc1F ZINC000083369214 181085549 /nfs/dbraw/zinc/08/55/49/181085549.db2.gz XCHWIOCEDINUOJ-UHFFFAOYSA-N 1 0 241.269 2.382 10 30 BEEERO N#Cc1cc(C[NH2+]Cc2cccnc2)ccc1F ZINC000083369212 181086067 /nfs/dbraw/zinc/08/60/67/181086067.db2.gz RFJJTWHKONDJBN-UHFFFAOYSA-N 1 0 241.269 2.382 10 30 BEEERO N#Cc1cc(Nc2cc[nH+]cc2N)ccc1F ZINC000051636115 181091343 /nfs/dbraw/zinc/09/13/43/181091343.db2.gz GXVZFUDEBBRMRT-UHFFFAOYSA-N 1 0 228.230 2.418 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)s1 ZINC000135500472 181109291 /nfs/dbraw/zinc/10/92/91/181109291.db2.gz QLINTDYOOZURDF-NEPJUHHUSA-N 1 0 236.340 2.013 10 30 BEEERO N#Cc1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000110793182 181121756 /nfs/dbraw/zinc/12/17/56/181121756.db2.gz MLJKIKXVMJBCGV-ZDUSSCGKSA-N 1 0 229.327 2.360 10 30 BEEERO N#Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC000037412578 181125350 /nfs/dbraw/zinc/12/53/50/181125350.db2.gz HZMYQMSTBNJWAX-CQSZACIVSA-N 1 0 245.301 2.203 10 30 BEEERO N#Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019867653 181125763 /nfs/dbraw/zinc/12/57/63/181125763.db2.gz KANRALPOESVLSJ-CQSZACIVSA-N 1 0 227.311 2.064 10 30 BEEERO C=CCCC(=O)NCC1([NH3+])CCCCCC1 ZINC000122464795 358487206 /nfs/dbraw/zinc/48/72/06/358487206.db2.gz ZZRZLOAOXUUTHK-UHFFFAOYSA-N 1 0 224.348 2.121 10 30 BEEERO N#Cc1ccc(OC[C@H]2CCCC[NH2+]2)cc1 ZINC000051883274 181128303 /nfs/dbraw/zinc/12/83/03/181128303.db2.gz DNKZPWVCKZQHLE-GFCCVEGCSA-N 1 0 216.284 2.079 10 30 BEEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791631 181128965 /nfs/dbraw/zinc/12/89/65/181128965.db2.gz JMLHNPQEFVOFOU-JTQLQIEISA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1cccnc1OCCC[C@H]1CCCC[NH2+]1 ZINC000095072083 181153749 /nfs/dbraw/zinc/15/37/49/181153749.db2.gz NTEJZWMVWSGUMZ-CYBMUJFWSA-N 1 0 245.326 2.254 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1nc(C)ccc1C#N ZINC000130585230 363402196 /nfs/dbraw/zinc/40/21/96/363402196.db2.gz KBVHYYFMZDOARJ-LBPRGKRZSA-N 1 0 232.331 2.191 10 30 BEEERO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC#N ZINC000346711008 355102605 /nfs/dbraw/zinc/10/26/05/355102605.db2.gz XODQRVSHNJIQCG-IHRRRGAJSA-N 1 0 236.359 2.306 10 30 BEEERO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC#N ZINC000346711011 355102735 /nfs/dbraw/zinc/10/27/35/355102735.db2.gz XODQRVSHNJIQCG-RDBSUJKOSA-N 1 0 236.359 2.306 10 30 BEEERO O=C[C@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059187 538484050 /nfs/dbraw/zinc/48/40/50/538484050.db2.gz CGGJLWHSUWUAEE-MWLCHTKSSA-N 1 0 231.286 2.237 10 30 BEEERO Clc1cccc(NC2=[NH+]CCN2)c1Cl ZINC000026181951 356799726 /nfs/dbraw/zinc/79/97/26/356799726.db2.gz ZWUOCJWGWZIVTC-UHFFFAOYSA-N 1 0 230.098 2.174 10 30 BEEERO CCCCCCCCC(=O)NCCC[NH3+] ZINC000114576347 134186643 /nfs/dbraw/zinc/18/66/43/134186643.db2.gz DIKQVYUHBWACIZ-UHFFFAOYSA-N 1 0 214.353 2.202 10 30 BEEERO N#Cc1cccc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000037988569 357162402 /nfs/dbraw/zinc/16/24/02/357162402.db2.gz MGNGFEJNCQTNQQ-CQSZACIVSA-N 1 0 230.311 2.217 10 30 BEEERO CC#CCCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000159344200 538876820 /nfs/dbraw/zinc/87/68/20/538876820.db2.gz QYKFPTLQTHVFJH-HUUCEWRRSA-N 1 0 234.387 2.349 10 30 BEEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCOCC1 ZINC000235536017 357878437 /nfs/dbraw/zinc/87/84/37/357878437.db2.gz HMWOCMYHGGFSFN-UHTWSYAYSA-N 1 0 222.332 2.083 10 30 BEEERO COC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000169011891 358009378 /nfs/dbraw/zinc/00/93/78/358009378.db2.gz LRCHOIAATICFQI-SECBINFHSA-N 1 0 238.718 2.336 10 30 BEEERO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052759559 358229880 /nfs/dbraw/zinc/22/98/80/358229880.db2.gz UUTIUPDGCJTWIP-OAHLLOKOSA-N 1 0 244.338 2.295 10 30 BEEERO COc1cccc([C@H](C#N)CC[NH+](C)C)c1 ZINC000041231564 358255234 /nfs/dbraw/zinc/25/52/34/358255234.db2.gz DQSXLAVVLLKLAR-LBPRGKRZSA-N 1 0 218.300 2.254 10 30 BEEERO C[NH+](C)CC[C@]1(C#N)CCC(=O)c2ccccc21 ZINC000584620686 358288004 /nfs/dbraw/zinc/28/80/04/358288004.db2.gz UNSJFABOCRXPEI-HNNXBMFYSA-N 1 0 242.322 2.376 10 30 BEEERO C=CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000218968647 134268829 /nfs/dbraw/zinc/26/88/29/134268829.db2.gz XNFKAJGIIXMXFZ-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO C/C(=N\CC[NH+](C)C)c1cc(Cl)ccc1O ZINC000584635580 358319524 /nfs/dbraw/zinc/31/95/24/358319524.db2.gz OSOCDIKGKWCAMD-NTEUORMPSA-N 1 0 240.734 2.416 10 30 BEEERO C=CCNC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494566 358448915 /nfs/dbraw/zinc/44/89/15/358448915.db2.gz BAULRJAQCAMTPD-OAHLLOKOSA-N 1 0 248.370 2.111 10 30 BEEERO N#CCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043425436 358537781 /nfs/dbraw/zinc/53/77/81/358537781.db2.gz RWGUZYXRMIJPLC-STQMWFEESA-N 1 0 222.332 2.324 10 30 BEEERO C=CCOc1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000133144559 358747143 /nfs/dbraw/zinc/74/71/43/358747143.db2.gz LXANECAFDARPTE-UHFFFAOYSA-N 1 0 247.338 2.256 10 30 BEEERO CC[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000306158139 358953307 /nfs/dbraw/zinc/95/33/07/358953307.db2.gz DHRZJXQAWKDXIZ-UHFFFAOYSA-N 1 0 212.655 2.460 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000130273239 359000865 /nfs/dbraw/zinc/00/08/65/359000865.db2.gz HPWBMNCIUAFFCV-SECBINFHSA-N 1 0 228.064 2.221 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306264653 359485924 /nfs/dbraw/zinc/48/59/24/359485924.db2.gz CMCLSZOSAMAIBH-HRDYMLBCSA-N 1 0 216.122 2.283 10 30 BEEERO C#CC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000045945330 359745961 /nfs/dbraw/zinc/74/59/61/359745961.db2.gz IBEDTVKAOKJRDK-UHFFFAOYSA-N 1 0 223.703 2.462 10 30 BEEERO C#CC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000045945351 359746262 /nfs/dbraw/zinc/74/62/62/359746262.db2.gz PCMMEIZETJJQDW-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C=CCCC[NH2+]Cc1csc(COC)n1 ZINC000309084264 491144483 /nfs/dbraw/zinc/14/44/83/491144483.db2.gz VBJABCIAICOSDR-UHFFFAOYSA-N 1 0 226.345 2.345 10 30 BEEERO N#CCCCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000094087272 360296133 /nfs/dbraw/zinc/29/61/33/360296133.db2.gz NRALGJRITXWZBN-CYBMUJFWSA-N 1 0 245.326 2.143 10 30 BEEERO C[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CO1 ZINC000306600864 360528033 /nfs/dbraw/zinc/52/80/33/360528033.db2.gz ACQVTXBHRYDNJC-NXEZZACHSA-N 1 0 223.341 2.456 10 30 BEEERO COCC#CC[NH2+][C@@H](C)c1ccccc1C ZINC000309629701 491153132 /nfs/dbraw/zinc/15/31/32/491153132.db2.gz HJHYSQKVXRLEDL-ZDUSSCGKSA-N 1 0 217.312 2.295 10 30 BEEERO Cc1cc(C#N)cc(NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000218015003 361228254 /nfs/dbraw/zinc/22/82/54/361228254.db2.gz FSQPECRCUXISFQ-NSHDSACASA-N 1 0 244.342 2.156 10 30 BEEERO C=CCCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000252729101 364672443 /nfs/dbraw/zinc/67/24/43/364672443.db2.gz FDCCZHUCNZRBJE-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO CC#CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000143782905 541508848 /nfs/dbraw/zinc/50/88/48/541508848.db2.gz HAQHGSMSNMFBFG-UHFFFAOYSA-N 1 0 215.296 2.149 10 30 BEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000385045340 367779613 /nfs/dbraw/zinc/77/96/13/367779613.db2.gz RWGKODKYLMKQCV-NEPJUHHUSA-N 1 0 224.348 2.162 10 30 BEEERO CSCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000069001132 370871965 /nfs/dbraw/zinc/87/19/65/370871965.db2.gz RFHINRRYPGGINU-MNOVXSKESA-N 1 0 212.362 2.411 10 30 BEEERO Cc1ccc(C(=O)C[n+]2cccc(C#N)c2)cc1 ZINC000048523563 368377436 /nfs/dbraw/zinc/37/74/36/368377436.db2.gz LLXOSXVXXPOSRV-UHFFFAOYSA-N 1 0 237.282 2.037 10 30 BEEERO CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000054827102 369101310 /nfs/dbraw/zinc/10/13/10/369101310.db2.gz PLKMGOJFYAWLTD-GXTWGEPZSA-N 1 0 235.375 2.143 10 30 BEEERO N#Cc1c(F)cccc1NCCC1(C[NH3+])CC1 ZINC000404684228 369432867 /nfs/dbraw/zinc/43/28/67/369432867.db2.gz NFDQKNIUBWYYEX-UHFFFAOYSA-N 1 0 233.290 2.238 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955280 369578411 /nfs/dbraw/zinc/57/84/11/369578411.db2.gz LTLOWJUOWKTPGO-CMPLNLGQSA-N 1 0 244.342 2.123 10 30 BEEERO C[C@H](C#N)C[NH2+]Cc1cccc2cnccc21 ZINC000061125675 369604772 /nfs/dbraw/zinc/60/47/72/369604772.db2.gz VALXIONRMBWVIK-LLVKDONJSA-N 1 0 225.295 2.484 10 30 BEEERO C[C@H]1CCCN(c2ccc(C#N)cc2F)[C@H]1C[NH3+] ZINC000252117497 369999225 /nfs/dbraw/zinc/99/92/25/369999225.db2.gz IUWWAZHMDWHXRT-HZMBPMFUSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2F)[C@H]1C[NH3+] ZINC000252117685 369999266 /nfs/dbraw/zinc/99/92/66/369999266.db2.gz IUWWAZHMDWHXRT-YGRLFVJLSA-N 1 0 247.317 2.261 10 30 BEEERO C=C(C)C[C@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000130904325 370171947 /nfs/dbraw/zinc/17/19/47/370171947.db2.gz BEAXFXVONYGUEZ-LBPRGKRZSA-N 1 0 239.340 2.056 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000309534737 370224745 /nfs/dbraw/zinc/22/47/45/370224745.db2.gz DWISNOANPZSJDN-AVGNSLFASA-N 1 0 222.332 2.227 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000378736489 371016771 /nfs/dbraw/zinc/01/67/71/371016771.db2.gz GREHVOAUHUEGLT-YNEHKIRRSA-N 1 0 222.332 2.083 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)cc1 ZINC000092631301 371106937 /nfs/dbraw/zinc/10/69/37/371106937.db2.gz DPUUBLRUXQQMBI-HNNXBMFYSA-N 1 0 243.354 2.479 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000228027917 371979311 /nfs/dbraw/zinc/97/93/11/371979311.db2.gz UBCISDPHOFYIGK-VXGBXAGGSA-N 1 0 209.333 2.476 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228054275 371983502 /nfs/dbraw/zinc/98/35/02/371983502.db2.gz TWGQTKTZUMWFAE-NWDGAFQWSA-N 1 0 209.333 2.476 10 30 BEEERO C=C(Br)C[NH2+]C1CC=CC1 ZINC000132908571 371948008 /nfs/dbraw/zinc/94/80/08/371948008.db2.gz IKTXFVNGTYIPRI-UHFFFAOYSA-N 1 0 202.095 2.203 10 30 BEEERO C#CCC[C@H]([NH3+])c1ncccc1Br ZINC000133207554 372006275 /nfs/dbraw/zinc/00/62/75/372006275.db2.gz ABDVCVROPNLROS-VIFPVBQESA-N 1 0 239.116 2.257 10 30 BEEERO C=C[C@@H](C)Nc1cc(N)[nH+]cc1Br ZINC000307364627 372115364 /nfs/dbraw/zinc/11/53/64/372115364.db2.gz ITFKYFIHRQXTRI-ZCFIWIBFSA-N 1 0 242.120 2.413 10 30 BEEERO C[NH2+]CC#Cc1cscc1Br ZINC000229454647 372154386 /nfs/dbraw/zinc/15/43/86/372154386.db2.gz SEIMRAHJXWIEQZ-UHFFFAOYSA-N 1 0 230.130 2.082 10 30 BEEERO C[NH2+]CC#Cc1cc(Br)ccc1F ZINC000229454762 372154774 /nfs/dbraw/zinc/15/47/74/372154774.db2.gz PNAPRHMJLGEREP-UHFFFAOYSA-N 1 0 242.091 2.159 10 30 BEEERO C=CC[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000039387559 372960890 /nfs/dbraw/zinc/96/08/90/372960890.db2.gz LRVXBKFCTIJVHJ-JTQLQIEISA-N 1 0 207.273 2.280 10 30 BEEERO O=[N+]([O-])c1ccc(/C=N/[C@H]2CCCC[NH2+]C2)cc1 ZINC000263616453 182926983 /nfs/dbraw/zinc/92/69/83/182926983.db2.gz ITYOTPGFVBEWCZ-DGGAMASNSA-N 1 0 247.298 2.156 10 30 BEEERO CCN(CCC#N)[C@H](C[NH3+])c1ccccc1C ZINC000043037043 169815172 /nfs/dbraw/zinc/81/51/72/169815172.db2.gz XPQQNACLUDIDEW-CQSZACIVSA-N 1 0 231.343 2.230 10 30 BEEERO CCC[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049617743 169081003 /nfs/dbraw/zinc/08/10/03/169081003.db2.gz LMMCHUIKOUYTQW-UHFFFAOYSA-N 1 0 249.329 2.401 10 30 BEEERO CCCN[C@H](C#N)CCOc1cccc(F)c1 ZINC000062446750 169283628 /nfs/dbraw/zinc/28/36/28/169283628.db2.gz YIHUIWMTVCXRNB-LBPRGKRZSA-N 1 0 236.290 2.486 10 30 BEEERO CCC[C@@](C)(C=O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000051204977 169446612 /nfs/dbraw/zinc/44/66/12/169446612.db2.gz KGRVEQOPQMJFLK-UONOGXRCSA-N 1 0 241.375 2.493 10 30 BEEERO N#Cc1cc(F)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334993402 384007196 /nfs/dbraw/zinc/00/71/96/384007196.db2.gz QFAWSJHANSZHHX-BETUJISGSA-N 1 0 245.301 2.028 10 30 BEEERO C[C@H]1COC[C@H](C)[NH+]1CCCC(C)(C)C#N ZINC000174872640 384370987 /nfs/dbraw/zinc/37/09/87/384370987.db2.gz UQZCQDGCWQMSHV-RYUDHWBXSA-N 1 0 224.348 2.426 10 30 BEEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)c(F)c1 ZINC000070188708 384470807 /nfs/dbraw/zinc/47/08/07/384470807.db2.gz QIMSPKMVWUSGSQ-UHFFFAOYSA-N 1 0 247.317 2.263 10 30 BEEERO CCc1nccn1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000105896894 384885776 /nfs/dbraw/zinc/88/57/76/384885776.db2.gz QWBPTNYTEHZMDX-ZDUSSCGKSA-N 1 0 246.358 2.386 10 30 BEEERO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 ZINC000136256619 385003667 /nfs/dbraw/zinc/00/36/67/385003667.db2.gz ATSNCYUKEMVCKA-YGRLFVJLSA-N 1 0 248.301 2.354 10 30 BEEERO C=CCCC[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000128885158 385081433 /nfs/dbraw/zinc/08/14/33/385081433.db2.gz DYHDDTCANSBRBW-UHFFFAOYSA-N 1 0 207.321 2.425 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152276367 385041963 /nfs/dbraw/zinc/04/19/63/385041963.db2.gz NLAPSCNCYXONQX-AWEZNQCLSA-N 1 0 245.326 2.229 10 30 BEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336254960 385104634 /nfs/dbraw/zinc/10/46/34/385104634.db2.gz KKQFLRUWMZTMSA-DOMZBBRYSA-N 1 0 244.338 2.098 10 30 BEEERO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCSC1 ZINC000130536954 385254962 /nfs/dbraw/zinc/25/49/62/385254962.db2.gz NBWNNSGINNANFU-VIFPVBQESA-N 1 0 222.313 2.089 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000228203146 385362591 /nfs/dbraw/zinc/36/25/91/385362591.db2.gz KZIQCUJYFFJDAO-YNEHKIRRSA-N 1 0 221.344 2.193 10 30 BEEERO CO[C@]1(C)CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000584599232 385465805 /nfs/dbraw/zinc/46/58/05/385465805.db2.gz YTNNVDFOEBYUMZ-ZIAGYGMSSA-N 1 0 230.311 2.388 10 30 BEEERO C=CC[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309442588 385582498 /nfs/dbraw/zinc/58/24/98/385582498.db2.gz IXPLUKFIWJZBKP-NWDGAFQWSA-N 1 0 225.332 2.274 10 30 BEEERO Cc1cnc([C@@H](C)[NH2+]CCCSCC#N)o1 ZINC000336679290 385622178 /nfs/dbraw/zinc/62/21/78/385622178.db2.gz AHZYAOLELYZPML-SNVBAGLBSA-N 1 0 239.344 2.281 10 30 BEEERO C#CCCC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000309608862 385739022 /nfs/dbraw/zinc/73/90/22/385739022.db2.gz ZJKUKKJSUNKLSC-UPJWGTAASA-N 1 0 221.344 2.193 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CCCOC1 ZINC000309589768 385720861 /nfs/dbraw/zinc/72/08/61/385720861.db2.gz ULSATMDYARTERU-QNWHQSFQSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)cc1 ZINC000309307468 386084942 /nfs/dbraw/zinc/08/49/42/386084942.db2.gz DNKBLVXRQVQECS-NSHDSACASA-N 1 0 217.316 2.488 10 30 BEEERO C=CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000125398470 386251197 /nfs/dbraw/zinc/25/11/97/386251197.db2.gz XNFKAJGIIXMXFZ-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO C#CCC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000366881665 386767471 /nfs/dbraw/zinc/76/74/71/386767471.db2.gz KGDOGHOLIWVVGT-SNVBAGLBSA-N 1 0 206.314 2.303 10 30 BEEERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000425343536 386855673 /nfs/dbraw/zinc/85/56/73/386855673.db2.gz RZNAEZNUJBMYTM-CHWFTXMASA-N 1 0 210.346 2.162 10 30 BEEERO C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCO1 ZINC000051814135 386869246 /nfs/dbraw/zinc/86/92/46/386869246.db2.gz FZBSFMUWOQDZIO-UKRRQHHQSA-N 1 0 229.323 2.195 10 30 BEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000398976016 387032615 /nfs/dbraw/zinc/03/26/15/387032615.db2.gz BMHCSCPMXSHDIW-SWLSCSKDSA-N 1 0 244.338 2.098 10 30 BEEERO C[NH+](C)[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000104173856 387485936 /nfs/dbraw/zinc/48/59/36/387485936.db2.gz YIQRFQWNXSDWDM-GFCCVEGCSA-N 1 0 249.745 2.352 10 30 BEEERO C=C(Br)CN1CCCCC[C@H]([NH3+])C1 ZINC000575545936 387630448 /nfs/dbraw/zinc/63/04/48/387630448.db2.gz LBYWALYIZUGBAS-JTQLQIEISA-N 1 0 247.180 2.098 10 30 BEEERO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000083767351 388061061 /nfs/dbraw/zinc/06/10/61/388061061.db2.gz OYBSVWUTRNYCHX-CYBMUJFWSA-N 1 0 247.342 2.096 10 30 BEEERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000449237454 388160088 /nfs/dbraw/zinc/16/00/88/388160088.db2.gz BPHSKBDYLYXLKL-PPCPHDFISA-N 1 0 222.332 2.224 10 30 BEEERO C=CCCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000177767749 388491046 /nfs/dbraw/zinc/49/10/46/388491046.db2.gz KESZXJFZMJBQKO-CYBMUJFWSA-N 1 0 240.391 2.435 10 30 BEEERO Cc1cc(C#N)cc(N[C@@H](C)CCCC[NH3+])n1 ZINC000310427884 388670016 /nfs/dbraw/zinc/67/00/16/388670016.db2.gz PLXHCVFPIUHYDT-JTQLQIEISA-N 1 0 232.331 2.191 10 30 BEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000253354618 388815142 /nfs/dbraw/zinc/81/51/42/388815142.db2.gz FBSXBURDDIZQET-QPSCCSFWSA-N 1 0 249.402 2.387 10 30 BEEERO C[C@H]1CCCN(c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070178538 132230317 /nfs/dbraw/zinc/23/03/17/132230317.db2.gz LTJZYSIZKDYHTH-SMDDNHRTSA-N 1 0 229.327 2.122 10 30 BEEERO C=CC[NH2+]CCN1C[C@H](C)Cc2ccccc21 ZINC000104002592 132243631 /nfs/dbraw/zinc/24/36/31/132243631.db2.gz WKEOWFSUVBXYKU-CYBMUJFWSA-N 1 0 230.355 2.461 10 30 BEEERO C[NH+](C)C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111036056 132268019 /nfs/dbraw/zinc/26/80/19/132268019.db2.gz RZQQJRUHJCXMTH-UHFFFAOYSA-N 1 0 247.317 2.228 10 30 BEEERO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1C#N ZINC000142389857 132428325 /nfs/dbraw/zinc/42/83/25/132428325.db2.gz CELGQORPONHNLN-RYUDHWBXSA-N 1 0 229.327 2.053 10 30 BEEERO CC#CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300847055 134229507 /nfs/dbraw/zinc/22/95/07/134229507.db2.gz APDPBHFLXIDJET-CYBMUJFWSA-N 1 0 221.344 2.339 10 30 BEEERO C[C@H]1C[C@@H]([N@H+](C)CCCCC#N)CCN1C ZINC000123447276 134243775 /nfs/dbraw/zinc/24/37/75/134243775.db2.gz HEGUIZKTVNMQTJ-STQMWFEESA-N 1 0 223.364 2.095 10 30 BEEERO C[C@@H](C#N)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000181647018 134338280 /nfs/dbraw/zinc/33/82/80/134338280.db2.gz GTPQMBRYTKGQES-GJZGRUSLSA-N 1 0 249.402 2.342 10 30 BEEERO Cc1nc(CC[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000224373576 134346278 /nfs/dbraw/zinc/34/62/78/134346278.db2.gz CMYCQIBRXNPIRJ-PWSUYJOCSA-N 1 0 235.356 2.276 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000309253959 134386570 /nfs/dbraw/zinc/38/65/70/134386570.db2.gz RMCHSAOHABKQEV-QWHCGFSZSA-N 1 0 222.332 2.085 10 30 BEEERO [NH2+]=C(NCC1(C(F)F)CC1)NC1CCCCC1 ZINC000262493027 135119157 /nfs/dbraw/zinc/11/91/57/135119157.db2.gz VNMLSNWDGGFCKT-UHFFFAOYSA-N 1 0 245.317 2.269 10 30 BEEERO C[C@@H]1CCN(c2ccc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000261549038 135187251 /nfs/dbraw/zinc/18/72/51/135187251.db2.gz FPHJBBQYSWKLJD-PWSUYJOCSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1CCN(c2cccc(F)c2C#N)[C@H](C[NH3+])C1 ZINC000261551403 135190814 /nfs/dbraw/zinc/19/08/14/135190814.db2.gz UVEVGFGIGIYVIL-MNOVXSKESA-N 1 0 247.317 2.261 10 30 BEEERO C=CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000121629886 135225502 /nfs/dbraw/zinc/22/55/02/135225502.db2.gz FPJFFIFZRDJURU-OLZOCXBDSA-N 1 0 246.354 2.370 10 30 BEEERO CC1(C)CN(c2ccc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000261585200 135226217 /nfs/dbraw/zinc/22/62/17/135226217.db2.gz SUIVBNHMIWTYOL-ZDUSSCGKSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261812913 135255190 /nfs/dbraw/zinc/25/51/90/135255190.db2.gz SVURFHOPVBSDKT-ZDEQEGDKSA-N 1 0 235.375 2.092 10 30 BEEERO C[C@H]1CCCN(C(=[NH2+])NCC2(C(F)F)CC2)C1 ZINC000262442089 135299694 /nfs/dbraw/zinc/29/96/94/135299694.db2.gz HXFMSWQVVOSCRV-VIFPVBQESA-N 1 0 245.317 2.078 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccc(C)cc1 ZINC000262597693 135307823 /nfs/dbraw/zinc/30/78/23/135307823.db2.gz XPTLYVNCQXUHJW-TZMCWYRMSA-N 1 0 245.370 2.411 10 30 BEEERO [NH2+]=C(Nc1ccccc1)N[C@H]1C[C@@H]1C(F)F ZINC000262769602 135317494 /nfs/dbraw/zinc/31/74/94/135317494.db2.gz HAXGZHSMIIPSND-IUCAKERBSA-N 1 0 225.242 2.067 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@]1(CC)C(C)C ZINC000263122853 135334133 /nfs/dbraw/zinc/33/41/33/135334133.db2.gz MEHYCATYNVNSTE-WCQYABFASA-N 1 0 223.364 2.292 10 30 BEEERO CCN/C(=[NH+]\CC)N(C)Cc1ccccc1 ZINC000264123564 135362011 /nfs/dbraw/zinc/36/20/11/135362011.db2.gz OIIWYPLIMLUMBF-UHFFFAOYSA-N 1 0 219.332 2.104 10 30 BEEERO C=CC[C@@H](CC)[NH2+]Cc1cnn(C)c1C ZINC000281204603 135370329 /nfs/dbraw/zinc/37/03/29/135370329.db2.gz BZLGZKTUOCEWPN-GFCCVEGCSA-N 1 0 207.321 2.173 10 30 BEEERO N#CCCCOc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000094087274 135610405 /nfs/dbraw/zinc/61/04/05/135610405.db2.gz NRALGJRITXWZBN-ZDUSSCGKSA-N 1 0 245.326 2.143 10 30 BEEERO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891096 398108154 /nfs/dbraw/zinc/10/81/54/398108154.db2.gz HIXSZBURWSHQLG-OCCSQVGLSA-N 1 0 235.375 2.141 10 30 BEEERO C=CC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000662630477 409801149 /nfs/dbraw/zinc/80/11/49/409801149.db2.gz JXYNYRQVQXBFSB-OLZOCXBDSA-N 1 0 238.375 2.175 10 30 BEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCCCCC ZINC000049202836 166183143 /nfs/dbraw/zinc/18/31/43/166183143.db2.gz BGCOCXFPUNBVOU-CHWSQXEVSA-N 1 0 238.375 2.073 10 30 BEEERO C#CC[NH2+]C[C@H](C)OC/C=C/c1ccccc1 ZINC000053559888 166188915 /nfs/dbraw/zinc/18/89/15/166188915.db2.gz OQITUJBFRLAZHA-RNVIBTMRSA-N 1 0 229.323 2.328 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]CCc1ccncc1 ZINC000051814173 166225623 /nfs/dbraw/zinc/22/56/23/166225623.db2.gz VDTRBCILFHZXGE-UHFFFAOYSA-N 1 0 236.318 2.265 10 30 BEEERO C(#Cc1ccccc1)COCC1CC[NH2+]CC1 ZINC000051815098 166225935 /nfs/dbraw/zinc/22/59/35/166225935.db2.gz GAJKZSLFMXBIFD-UHFFFAOYSA-N 1 0 229.323 2.054 10 30 BEEERO C=CCN(CC[NH3+])Cc1cc(C)ccc1C ZINC000076609530 166340883 /nfs/dbraw/zinc/34/08/83/166340883.db2.gz FZDKKTQIFJNQAU-UHFFFAOYSA-N 1 0 218.344 2.250 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc(F)c(C)c1 ZINC000049819365 166399095 /nfs/dbraw/zinc/39/90/95/166399095.db2.gz VFTSRFQHZFJYMC-ZDUSSCGKSA-N 1 0 223.291 2.333 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc(C)cc1 ZINC000049813224 166399115 /nfs/dbraw/zinc/39/91/15/166399115.db2.gz IDSSICRVALIOKS-CYBMUJFWSA-N 1 0 205.301 2.194 10 30 BEEERO CC(C)[NH2+]Cc1nc(-c2ccc(C#N)cc2)c[nH]1 ZINC000037610489 167124690 /nfs/dbraw/zinc/12/46/90/167124690.db2.gz UTVAXQVJEWKYJW-UHFFFAOYSA-N 1 0 240.310 2.446 10 30 BEEERO CC(C)N[C@@](C)(C#N)CC[N@H+](C)CC1CCC1 ZINC000061482555 167136895 /nfs/dbraw/zinc/13/68/95/167136895.db2.gz KXKSIBRSSRFEEI-CQSZACIVSA-N 1 0 237.391 2.389 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)C[C@H]1C[C@H]1C ZINC000104423744 167142153 /nfs/dbraw/zinc/14/21/53/167142153.db2.gz FZKSMNZXLUDUET-MCIONIFRSA-N 1 0 237.391 2.245 10 30 BEEERO CCOc1cccc(CC[NH3+])c1OCCCC#N ZINC000037721889 170573067 /nfs/dbraw/zinc/57/30/67/170573067.db2.gz QDHHOBMJYQGZSM-UHFFFAOYSA-N 1 0 248.326 2.269 10 30 BEEERO CC[C@@H]1CC[C@H](C#N)[C@H](N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000104132146 171046444 /nfs/dbraw/zinc/04/64/44/171046444.db2.gz JJGFMAJYRDTWRQ-KBUPBQIOSA-N 1 0 249.402 2.341 10 30 BEEERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000036158337 171372010 /nfs/dbraw/zinc/37/20/10/171372010.db2.gz IUUYGLYPVAZPNP-QPUJVOFHSA-N 1 0 249.289 2.009 10 30 BEEERO CC[C@H]1CCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049615135 171620453 /nfs/dbraw/zinc/62/04/53/171620453.db2.gz GJYFQFQFFPOSPJ-INIZCTEOSA-N 1 0 243.350 2.405 10 30 BEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CCC ZINC000662842393 412318499 /nfs/dbraw/zinc/31/84/99/412318499.db2.gz NUWQQAHFJOFJRM-UPJWGTAASA-N 1 0 238.375 2.365 10 30 BEEERO C=CCC1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000662889557 412337857 /nfs/dbraw/zinc/33/78/57/412337857.db2.gz XTSQGCGEWYFSHB-NWDGAFQWSA-N 1 0 236.359 2.119 10 30 BEEERO C=CCCC(C)(C)NC(=O)C1CCC([NH3+])CC1 ZINC000662952784 412352001 /nfs/dbraw/zinc/35/20/01/412352001.db2.gz HCGORCFUEXQRFA-UHFFFAOYSA-N 1 0 238.375 2.365 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000662954363 412354009 /nfs/dbraw/zinc/35/40/09/412354009.db2.gz VABIZIXXPJGZSV-NWDGAFQWSA-N 1 0 238.375 2.222 10 30 BEEERO CN(C)/C=[NH+]/C1=CC(=O)C[C@@H](c2ccco2)C1 ZINC000072417028 172352882 /nfs/dbraw/zinc/35/28/82/172352882.db2.gz STFICSIKZQLWTI-RSYJBZMQSA-N 1 0 232.283 2.200 10 30 BEEERO C[NH+](C)[C@@H]1Cc2c[nH]c3ccc(C#N)c(c23)C1 ZINC000034381274 172530149 /nfs/dbraw/zinc/53/01/49/172530149.db2.gz BGHGBOWZBWUXEE-LLVKDONJSA-N 1 0 225.295 2.068 10 30 BEEERO C[NH+]1CCC(c2ccccc2C#N)CC1 ZINC000075906153 173001670 /nfs/dbraw/zinc/00/16/70/173001670.db2.gz DPHGVTDGBKFKFC-UHFFFAOYSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000042277170 173020999 /nfs/dbraw/zinc/02/09/99/173020999.db2.gz MYVKVIYKTJSFBO-CYBMUJFWSA-N 1 0 215.300 2.064 10 30 BEEERO C[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000075906571 173047846 /nfs/dbraw/zinc/04/78/46/173047846.db2.gz KCEATTCFAFJEFN-ZDUSSCGKSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000061985147 173154477 /nfs/dbraw/zinc/15/44/77/173154477.db2.gz GPSIWENQZLHUPE-NSHDSACASA-N 1 0 235.718 2.328 10 30 BEEERO C[NH2+]C[C@H](C)Oc1ccc(Cl)cc1C#N ZINC000052859356 173376131 /nfs/dbraw/zinc/37/61/31/173376131.db2.gz BVJKIOPMPOSUAG-QMMMGPOBSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]Cc1nc(-c2ccc(C#N)cc2)cs1 ZINC000053294094 173394454 /nfs/dbraw/zinc/39/44/54/173394454.db2.gz STONNBGMYOTGNN-UHFFFAOYSA-N 1 0 229.308 2.401 10 30 BEEERO COCCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000062031467 174220580 /nfs/dbraw/zinc/22/05/80/174220580.db2.gz KKAQJFIZMAPTQV-FRRDWIJNSA-N 1 0 224.348 2.283 10 30 BEEERO COCC[N@H+](C)[C@H]1CCCCC[C@@H]1C#N ZINC000042459244 174284060 /nfs/dbraw/zinc/28/40/60/174284060.db2.gz GONSNBWZMZATEC-NEPJUHHUSA-N 1 0 210.321 2.037 10 30 BEEERO CO[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814422 174750057 /nfs/dbraw/zinc/75/00/57/174750057.db2.gz TUZRLIDAUGCJSM-LSDHHAIUSA-N 1 0 229.323 2.195 10 30 BEEERO COc1ccc(C#CC[NH3+])cc1COC1CCC1 ZINC000050521138 175051061 /nfs/dbraw/zinc/05/10/61/175051061.db2.gz GQZLPDTURQNCAW-UHFFFAOYSA-N 1 0 245.322 2.075 10 30 BEEERO COc1ccc(CNC2=[NH+]C[C@H](C)S2)cc1 ZINC000020354387 175083545 /nfs/dbraw/zinc/08/35/45/175083545.db2.gz NMQZKGRBCFOFAY-VIFPVBQESA-N 1 0 236.340 2.276 10 30 BEEERO COc1ccc(CC[NH2+][C@@H](C)CC#N)cc1OC ZINC000037871115 175092046 /nfs/dbraw/zinc/09/20/46/175092046.db2.gz RBGGBVILFPKEAK-NSHDSACASA-N 1 0 248.326 2.138 10 30 BEEERO COc1ccc2cc(C#CC[NH3+])ccc2c1 ZINC000042477888 175223390 /nfs/dbraw/zinc/22/33/90/175223390.db2.gz KECAYYQXUALXMP-UHFFFAOYSA-N 1 0 211.264 2.159 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@@](C#N)(NCC[NH+](C)C)C1 ZINC000037940649 176051988 /nfs/dbraw/zinc/05/19/88/176051988.db2.gz YCGYLZTUEHYWAL-OCCSQVGLSA-N 1 0 237.391 2.246 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940360 176052580 /nfs/dbraw/zinc/05/25/80/176052580.db2.gz JTCPKCFSUXWDQT-UKRRQHHQSA-N 1 0 249.402 2.390 10 30 BEEERO C[C@@H]1CCC[N@H+](CC2(C=O)CCOCC2)[C@@H]1C ZINC000052180076 176096317 /nfs/dbraw/zinc/09/63/17/176096317.db2.gz ZMBLVAFFHOWQAN-CHWSQXEVSA-N 1 0 239.359 2.103 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049615252 176108105 /nfs/dbraw/zinc/10/81/05/176108105.db2.gz LXRFCDIRERHNPR-GFCCVEGCSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049613627 176174127 /nfs/dbraw/zinc/17/41/27/176174127.db2.gz KWYJKDHUSGJGRG-GFCCVEGCSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235324877 176174818 /nfs/dbraw/zinc/17/48/18/176174818.db2.gz GZMZCMJNYMOFDR-IUODEOHRSA-N 1 0 243.354 2.117 10 30 BEEERO C[C@H](CC#N)N(C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000063085388 176596525 /nfs/dbraw/zinc/59/65/25/176596525.db2.gz KOJCIBDBTLPPDR-MFKMUULPSA-N 1 0 235.306 2.059 10 30 BEEERO C[C@H](S)[C@@H]1[NH2+]CCc2cccc(F)c21 ZINC000083730141 177025956 /nfs/dbraw/zinc/02/59/56/177025956.db2.gz AUSBTWCUPHWKCT-CPCISQLKSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CC(C)(C)C[C@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019267343 177063713 /nfs/dbraw/zinc/06/37/13/177063713.db2.gz QEZKTNYIDLEWEC-GXTWGEPZSA-N 1 0 235.375 2.000 10 30 BEEERO C[C@H]1CC(C)(C)C[C@@](C#N)(NCC[NH+](C)C)C1 ZINC000037940650 177063783 /nfs/dbraw/zinc/06/37/83/177063783.db2.gz YCGYLZTUEHYWAL-JSGCOSHPSA-N 1 0 237.391 2.246 10 30 BEEERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1/C(N)=N/O ZINC000019477704 177077251 /nfs/dbraw/zinc/07/72/51/177077251.db2.gz XRBNFQVPQXXCDE-NSHDSACASA-N 1 0 247.342 2.156 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049615225 177110691 /nfs/dbraw/zinc/11/06/91/177110691.db2.gz MQNHPZKNMQAGBC-ZDUSSCGKSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000123981018 177277329 /nfs/dbraw/zinc/27/73/29/177277329.db2.gz MHWRZPDYEPGRIF-HZMBPMFUSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1C[NH+]=C(Nc2ccc3c(c2)CCCC3)N1 ZINC000169331978 177278845 /nfs/dbraw/zinc/27/88/45/177278845.db2.gz PSGFPJKVTYEEKR-JTQLQIEISA-N 1 0 229.327 2.134 10 30 BEEERO C=CC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000111693222 323162776 /nfs/dbraw/zinc/16/27/76/323162776.db2.gz RADGHJKFSDKBBZ-CYBMUJFWSA-N 1 0 241.375 2.060 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000320865667 323590892 /nfs/dbraw/zinc/59/08/92/323590892.db2.gz NKARMYIKYMWKHN-KOLCDFICSA-N 1 0 232.331 2.108 10 30 BEEERO CC(C)[NH2+]CCCNc1ccc(C#N)cc1F ZINC000572501812 324135730 /nfs/dbraw/zinc/13/57/30/324135730.db2.gz WMCJFGDJRXGVAB-UHFFFAOYSA-N 1 0 235.306 2.497 10 30 BEEERO CC#CC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134251786 325350634 /nfs/dbraw/zinc/35/06/34/325350634.db2.gz WSMOWGWACSTQHH-WFASDCNBSA-N 1 0 229.323 2.334 10 30 BEEERO CC(C)[NH2+]CCCNc1cccc(F)c1C#N ZINC000568849461 326379085 /nfs/dbraw/zinc/37/90/85/326379085.db2.gz QBEMRUAIZKPQQY-UHFFFAOYSA-N 1 0 235.306 2.497 10 30 BEEERO COCC#CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000678793800 488283852 /nfs/dbraw/zinc/28/38/52/488283852.db2.gz KPRMGRJRWKHXNL-LBPRGKRZSA-N 1 0 235.302 2.435 10 30 BEEERO C[C@@H]1CC[C@]2(CCCN2CCCCC#N)C[NH2+]1 ZINC000757126915 582501223 /nfs/dbraw/zinc/50/12/23/582501223.db2.gz HRAXKEMVDBLFJM-ZIAGYGMSSA-N 1 0 235.375 2.287 10 30 BEEERO C=CCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000175265941 534650672 /nfs/dbraw/zinc/65/06/72/534650672.db2.gz UXEKSFINTQNXKK-ZDUSSCGKSA-N 1 0 236.359 2.039 10 30 BEEERO C=CCCC[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000121286847 534708432 /nfs/dbraw/zinc/70/84/32/534708432.db2.gz DBGDZDQMYYDPMF-UHFFFAOYSA-N 1 0 235.331 2.143 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000135192373 535005488 /nfs/dbraw/zinc/00/54/88/535005488.db2.gz CGAIHDJQQCENPQ-CHWSQXEVSA-N 1 0 238.375 2.457 10 30 BEEERO CC[NH+]=C(NCC1CCC1)N[C@H](C)C(C)C ZINC000263111580 535260911 /nfs/dbraw/zinc/26/09/11/535260911.db2.gz DWHJCROZHHTHQF-LLVKDONJSA-N 1 0 225.380 2.386 10 30 BEEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H](C)C(C)C ZINC000263262839 535263275 /nfs/dbraw/zinc/26/32/75/535263275.db2.gz UCLYGBKKJBMONW-SRVKXCTJSA-N 1 0 225.380 2.242 10 30 BEEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H](C)C(C)C ZINC000263262845 535263653 /nfs/dbraw/zinc/26/36/53/535263653.db2.gz UCLYGBKKJBMONW-TUAOUCFPSA-N 1 0 225.380 2.242 10 30 BEEERO C[NH+]=C(NC1CC1)N[C@H]1CCC12CCCC2 ZINC000263236659 536304271 /nfs/dbraw/zinc/30/42/71/536304271.db2.gz DWQQZBZCKIOECU-NSHDSACASA-N 1 0 221.348 2.037 10 30 BEEERO CCCCCCCCCCO[C@@H](C[NH3+])CO ZINC000217104819 566341583 /nfs/dbraw/zinc/34/15/83/566341583.db2.gz BISMKDKUQQRIRP-ZDUSSCGKSA-N 1 0 231.380 2.463 10 30 BEEERO CCNC(NC/C=C/c1ccccc1)=[NH+]CC ZINC000112769758 588816289 /nfs/dbraw/zinc/81/62/89/588816289.db2.gz GEGBUNKUAYLJFL-DHZHZOJOSA-N 1 0 231.343 2.275 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CC=CC1 ZINC000119409046 589282085 /nfs/dbraw/zinc/28/20/85/589282085.db2.gz QWCGJLRDDZXCKG-ZDUSSCGKSA-N 1 0 249.354 2.230 10 30 BEEERO CCCC(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119422049 589282847 /nfs/dbraw/zinc/28/28/47/589282847.db2.gz FGMLHQXCUBOPLN-LBPRGKRZSA-N 1 0 225.332 2.063 10 30 BEEERO C=CCCC[N@@H+](C)CC(OCC)OCC ZINC000124357427 589979214 /nfs/dbraw/zinc/97/92/14/589979214.db2.gz MIDKRLHEEUHPDS-UHFFFAOYSA-N 1 0 215.337 2.284 10 30 BEEERO C=C(Cl)CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000125775573 590188864 /nfs/dbraw/zinc/18/88/64/590188864.db2.gz JKVGDZGZUOIHAC-ZYHUDNBSSA-N 1 0 230.783 2.401 10 30 BEEERO CS[C@@H](C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000130706815 591503168 /nfs/dbraw/zinc/50/31/68/591503168.db2.gz HGVMZELDEDOOAN-JTQLQIEISA-N 1 0 237.372 2.473 10 30 BEEERO CCCCCCCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133658572 591845004 /nfs/dbraw/zinc/84/50/04/591845004.db2.gz NQWMAVOZJVRBLW-CYBMUJFWSA-N 1 0 240.391 2.463 10 30 BEEERO CCCCCCCCC(=O)NC[C@@H](C)[NH2+]C ZINC000232916219 635522998 /nfs/dbraw/zinc/52/29/98/635522998.db2.gz MNHKJXPNLABKNW-GFCCVEGCSA-N 1 0 228.380 2.461 10 30 BEEERO C#CCSCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308860876 631700414 /nfs/dbraw/zinc/70/04/14/631700414.db2.gz BIHDCXPAIDLVPT-RYUDHWBXSA-N 1 0 229.364 2.471 10 30 BEEERO CC(C)C[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000051814245 631935712 /nfs/dbraw/zinc/93/57/12/631935712.db2.gz XHOKGIXAZDHLJK-HNNXBMFYSA-N 1 0 231.339 2.035 10 30 BEEERO CC(C)C[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000051814246 631936439 /nfs/dbraw/zinc/93/64/39/631936439.db2.gz XHOKGIXAZDHLJK-OAHLLOKOSA-N 1 0 231.339 2.035 10 30 BEEERO COc1ccc([C@@H](C)C[NH2+]CCC#N)cc1 ZINC000309862012 633875304 /nfs/dbraw/zinc/87/53/04/633875304.db2.gz NBGDDSDHDFKFAB-NSHDSACASA-N 1 0 218.300 2.302 10 30 BEEERO C#C[C@@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000309872197 633885924 /nfs/dbraw/zinc/88/59/24/633885924.db2.gz RDDJJKXYWKZJAM-NWDGAFQWSA-N 1 0 217.312 2.410 10 30 BEEERO C[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092277612 633886533 /nfs/dbraw/zinc/88/65/33/633886533.db2.gz UIVARMQNFKXDHP-MWLCHTKSSA-N 1 0 209.337 2.022 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000320451145 636247882 /nfs/dbraw/zinc/24/78/82/636247882.db2.gz CJLWMSIZKVVLIS-WDSKDSINSA-N 1 0 244.751 2.206 10 30 BEEERO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061891588 641004871 /nfs/dbraw/zinc/00/48/71/641004871.db2.gz PHGVDQAITQYFQP-GXFFZTMASA-N 1 0 246.310 2.183 10 30 BEEERO CCN(c1ccc(C#N)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314153 643126134 /nfs/dbraw/zinc/12/61/34/643126134.db2.gz JNSVLIYYECKGJA-LBPRGKRZSA-N 1 0 249.745 2.400 10 30 BEEERO CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[C@@H]1C ZINC000083908905 644413323 /nfs/dbraw/zinc/41/33/23/644413323.db2.gz MQUVQNRJSSFRDW-YNEHKIRRSA-N 1 0 235.375 2.306 10 30 BEEERO C=CC[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000123088810 645918998 /nfs/dbraw/zinc/91/89/98/645918998.db2.gz KMWFMQICMWVQSF-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO C=CC[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000380070719 712684733 /nfs/dbraw/zinc/68/47/33/712684733.db2.gz DEKFSWCHPFMZHZ-AAEUAGOBSA-N 1 0 205.301 2.274 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722328596 710708215 /nfs/dbraw/zinc/70/82/15/710708215.db2.gz AMRSBTYTDYSUQC-XDQVBPFNSA-N 1 0 234.343 2.226 10 30 BEEERO N#Cc1ccc(N2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000723673324 711533112 /nfs/dbraw/zinc/53/31/12/711533112.db2.gz ZQNLLWZUUWFSCK-JTQLQIEISA-N 1 0 249.745 2.387 10 30 BEEERO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000706761948 712154356 /nfs/dbraw/zinc/15/43/56/712154356.db2.gz JWGZWAACTZMEMY-SOUVJXGZSA-N 1 0 242.322 2.076 10 30 BEEERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000708695902 712196879 /nfs/dbraw/zinc/19/68/79/712196879.db2.gz PCUTYSKNEQUWQP-FVCCEPFGSA-N 1 0 222.332 2.083 10 30 BEEERO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C)CO ZINC000709910754 712231963 /nfs/dbraw/zinc/23/19/63/712231963.db2.gz MYHYQOWBBYZIDE-ZDUSSCGKSA-N 1 0 219.328 2.446 10 30 BEEERO N#Cc1ccc(NC[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000715082063 712507206 /nfs/dbraw/zinc/50/72/06/712507206.db2.gz NPDRBXAMCBUZBU-CZMCAQCFSA-N 1 0 235.718 2.361 10 30 BEEERO C=CCC1(O)CC[NH+]([C@H](C)C(C)C)CC1 ZINC000717431904 712657654 /nfs/dbraw/zinc/65/76/54/712657654.db2.gz UVCXSGNEPFBIIV-GFCCVEGCSA-N 1 0 211.349 2.434 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250815395 712834739 /nfs/dbraw/zinc/83/47/39/712834739.db2.gz OKPNWVXSOHLDQZ-KKUMJFAQSA-N 1 0 244.338 2.392 10 30 BEEERO C=CCC[C@H](CC)[NH2+]CCC1(C)OCCO1 ZINC000129398936 1166181881 /nfs/dbraw/zinc/18/18/81/1166181881.db2.gz YEEHMHJSDYPBQF-LBPRGKRZSA-N 1 0 227.348 2.474 10 30 BEEERO C=CCNC(=O)C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000133323755 1166191702 /nfs/dbraw/zinc/19/17/02/1166191702.db2.gz UXEJLQMKMSKIKF-NWDGAFQWSA-N 1 0 226.364 2.093 10 30 BEEERO C=C(C)CC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685958946 538906259 /nfs/dbraw/zinc/90/62/59/538906259.db2.gz GFOULLPJFLMCAZ-IUODEOHRSA-N 1 0 247.338 2.454 10 30 BEEERO N#CCCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887263 136212281 /nfs/dbraw/zinc/21/22/81/136212281.db2.gz ZBYHATVMUJQYKL-UHFFFAOYSA-N 1 0 246.358 2.289 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309356150 136218042 /nfs/dbraw/zinc/21/80/42/136218042.db2.gz NZFWESFFUUVPJY-SDDRHHMPSA-N 1 0 224.348 2.065 10 30 BEEERO OCC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000051814902 398214535 /nfs/dbraw/zinc/21/45/35/398214535.db2.gz OGBJLDFGQJIPCD-INIZCTEOSA-N 1 0 243.350 2.275 10 30 BEEERO Cc1ccc(C#N)c(N[C@@H](C)CCCC[NH3+])n1 ZINC000336691100 178365665 /nfs/dbraw/zinc/36/56/65/178365665.db2.gz HLWWDFFWCLDGEN-JTQLQIEISA-N 1 0 232.331 2.191 10 30 BEEERO C#CC[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000051074645 346830883 /nfs/dbraw/zinc/83/08/83/346830883.db2.gz PVNKJEICOMYWAH-NSHDSACASA-N 1 0 238.128 2.342 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000320422158 342733690 /nfs/dbraw/zinc/73/36/90/342733690.db2.gz YBWBYRITZOHSQP-HTQZYQBOSA-N 1 0 239.269 2.374 10 30 BEEERO CCC#C[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000381368558 538999223 /nfs/dbraw/zinc/99/92/23/538999223.db2.gz GWSRHGSHPJIWEW-GXTWGEPZSA-N 1 0 217.312 2.112 10 30 BEEERO [NH2+]=C(NC1CC1)c1cccc(Br)c1 ZINC000059925741 342875820 /nfs/dbraw/zinc/87/58/20/342875820.db2.gz DFYSPDAPYDZXEP-UHFFFAOYSA-N 1 0 239.116 2.317 10 30 BEEERO C=C(C)CN(CC)C(=O)CCCCCC[NH3+] ZINC000019519402 187206000 /nfs/dbraw/zinc/20/60/00/187206000.db2.gz WSCUDTKTGKTTNO-UHFFFAOYSA-N 1 0 226.364 2.320 10 30 BEEERO C#CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040639944 342975127 /nfs/dbraw/zinc/97/51/27/342975127.db2.gz OFMZNWXAYNRRPO-UHFFFAOYSA-N 1 0 203.285 2.197 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000602829495 349766168 /nfs/dbraw/zinc/76/61/68/349766168.db2.gz JIFTZEKMCTWZFC-GRYCIOLGSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H]([NH3+])c1ccc(OCC#N)c(Cl)c1 ZINC000127124627 343233981 /nfs/dbraw/zinc/23/39/81/343233981.db2.gz ODWSXIFHJXQIDH-ZETCQYMHSA-N 1 0 210.664 2.262 10 30 BEEERO C=CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023479 136283656 /nfs/dbraw/zinc/28/36/56/136283656.db2.gz YZGKTCKLNYKOHR-OLZOCXBDSA-N 1 0 209.333 2.190 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300031694 343263687 /nfs/dbraw/zinc/26/36/87/343263687.db2.gz SZQXMXSVFUMBLU-HXFLIBJXSA-N 1 0 203.376 2.125 10 30 BEEERO C=C(Cl)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917827 187254088 /nfs/dbraw/zinc/25/40/88/187254088.db2.gz OLCONYXGDURGFA-NEPJUHHUSA-N 1 0 228.767 2.203 10 30 BEEERO CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054828248 136372951 /nfs/dbraw/zinc/37/29/51/136372951.db2.gz PQJWYVCFYSXOEA-CHWSQXEVSA-N 1 0 224.348 2.331 10 30 BEEERO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000083638129 343493513 /nfs/dbraw/zinc/49/35/13/343493513.db2.gz HBGOFEXLBJXPJR-QWRGUYRKSA-N 1 0 210.321 2.083 10 30 BEEERO C=C[C@H]([NH3+])c1nscc1Br ZINC000404757868 343605449 /nfs/dbraw/zinc/60/54/49/343605449.db2.gz CQOJOWPWJNOWJK-YFKPBYRVSA-N 1 0 219.107 2.091 10 30 BEEERO N#Cc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000071309086 343654833 /nfs/dbraw/zinc/65/48/33/343654833.db2.gz GZHDHNSLATVYGM-ZDUSSCGKSA-N 1 0 230.311 2.469 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(F)c(F)cc1Br ZINC000306254037 343758288 /nfs/dbraw/zinc/75/82/88/343758288.db2.gz WBQJCUUAXDVFTP-SECBINFHSA-N 1 0 246.054 2.360 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CC1(C)C ZINC000045119571 187355137 /nfs/dbraw/zinc/35/51/37/187355137.db2.gz GHQVDHAJJACHQK-SSDOTTSWSA-N 1 0 204.111 2.283 10 30 BEEERO C=C(C)[C@H]([NH3+])c1ccncc1Br ZINC000307648976 343950342 /nfs/dbraw/zinc/95/03/42/343950342.db2.gz HMYZFRYRJPMMTJ-VIFPVBQESA-N 1 0 227.105 2.420 10 30 BEEERO C=C(C)[C@@H]([NH3+])c1ccncc1Br ZINC000307648974 343951057 /nfs/dbraw/zinc/95/10/57/343951057.db2.gz HMYZFRYRJPMMTJ-SECBINFHSA-N 1 0 227.105 2.420 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CO1 ZINC000396473648 347022768 /nfs/dbraw/zinc/02/27/68/347022768.db2.gz PZVWXMFUVVPKDW-WOPDTQHZSA-N 1 0 222.332 2.226 10 30 BEEERO C=C(CC)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000313485621 344080159 /nfs/dbraw/zinc/08/01/59/344080159.db2.gz SLZDDHGROJWHPD-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO C[C@H]([NH2+]Cc1cncnc1)c1ccc(C#N)cc1 ZINC000054767476 344246555 /nfs/dbraw/zinc/24/65/55/344246555.db2.gz MXLFVJRHSUZEIM-NSHDSACASA-N 1 0 238.294 2.199 10 30 BEEERO CC(C)[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135410564 344266204 /nfs/dbraw/zinc/26/62/04/344266204.db2.gz IIIUGLJNTNMOIL-CYBMUJFWSA-N 1 0 229.327 2.431 10 30 BEEERO C[N@H+](CCCC#N)[C@H]1CCc2c(O)cccc2C1 ZINC000028004573 344324797 /nfs/dbraw/zinc/32/47/97/344324797.db2.gz JPGGIRXKQRFUGC-ZDUSSCGKSA-N 1 0 244.338 2.485 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1(CC#N)CC1 ZINC000094446049 344329390 /nfs/dbraw/zinc/32/93/90/344329390.db2.gz WNSIQDTVJRUVSS-ZIAGYGMSSA-N 1 0 247.386 2.239 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000166096588 344502928 /nfs/dbraw/zinc/50/29/28/344502928.db2.gz KVUUJOOQUMMNRX-SECBINFHSA-N 1 0 228.064 2.221 10 30 BEEERO COCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000381060282 344475163 /nfs/dbraw/zinc/47/51/63/344475163.db2.gz KUSLBVKIPUFLJZ-RYUDHWBXSA-N 1 0 224.348 2.331 10 30 BEEERO C#CCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041731389 166208021 /nfs/dbraw/zinc/20/80/21/166208021.db2.gz OSRYQTDADJFUAI-NSHDSACASA-N 1 0 202.301 2.094 10 30 BEEERO C[C@H]([NH3+])C#Cc1cccc(Br)c1F ZINC000235489601 344924043 /nfs/dbraw/zinc/92/40/43/344924043.db2.gz PKYVJMPITOBGSL-ZETCQYMHSA-N 1 0 242.091 2.287 10 30 BEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N(CC)CC ZINC000121159324 344915341 /nfs/dbraw/zinc/91/53/41/344915341.db2.gz PTKFJKASLFYGOV-LBPRGKRZSA-N 1 0 226.364 2.141 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000155561034 187296938 /nfs/dbraw/zinc/29/69/38/187296938.db2.gz QOZZDJXGYGMROR-CQSZACIVSA-N 1 0 231.343 2.242 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000374050181 534982170 /nfs/dbraw/zinc/98/21/70/534982170.db2.gz LIEIBWADTJKHSE-ZDUSSCGKSA-N 1 0 238.375 2.411 10 30 BEEERO CC#CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000155120934 345068096 /nfs/dbraw/zinc/06/80/96/345068096.db2.gz BVPDOTGSVMNYON-STQMWFEESA-N 1 0 207.317 2.043 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000082544519 345366588 /nfs/dbraw/zinc/36/65/88/345366588.db2.gz DYUWVUNSDMSZEN-QWHCGFSZSA-N 1 0 222.332 2.085 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134836537 345423380 /nfs/dbraw/zinc/42/33/80/345423380.db2.gz UBCISDPHOFYIGK-RYUDHWBXSA-N 1 0 209.333 2.476 10 30 BEEERO COc1cc(C#N)ccc1OC[C@H]1CCC[N@@H+]1C ZINC000114019959 345756043 /nfs/dbraw/zinc/75/60/43/345756043.db2.gz UEUHYDRBEWALMW-GFCCVEGCSA-N 1 0 246.310 2.040 10 30 BEEERO O=C(C1=CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000236411100 346237156 /nfs/dbraw/zinc/23/71/56/346237156.db2.gz ZVWUGYBOIWLGHO-GFCCVEGCSA-N 1 0 207.317 2.446 10 30 BEEERO COC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000309558786 347101430 /nfs/dbraw/zinc/10/14/30/347101430.db2.gz KKFIQFLUDKTTBN-NWDGAFQWSA-N 1 0 222.332 2.227 10 30 BEEERO C#C[C@H]([NH3+])c1cc(OC)ccc1Br ZINC000163740456 346575228 /nfs/dbraw/zinc/57/52/28/346575228.db2.gz OYVMJVFUPGDADP-JTQLQIEISA-N 1 0 240.100 2.091 10 30 BEEERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCC#N)c1 ZINC000042965786 179188796 /nfs/dbraw/zinc/18/87/96/179188796.db2.gz XNSDHGLKBYTGOE-GXTWGEPZSA-N 1 0 231.343 2.229 10 30 BEEERO C=C(C)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000334451081 136749377 /nfs/dbraw/zinc/74/93/77/136749377.db2.gz URTNQCULPJEBRR-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO C[NH+](C)CC/N=C/c1ccc(Cl)cc1 ZINC000196215890 347833303 /nfs/dbraw/zinc/83/33/03/347833303.db2.gz JXHULKXGRRKGHC-UKTHLTGXSA-N 1 0 210.708 2.321 10 30 BEEERO Cc1ccccc1OCC[NH+]1CCC(C=O)CC1 ZINC000054239394 179310251 /nfs/dbraw/zinc/31/02/51/179310251.db2.gz HPKWQHLGHFLNSH-UHFFFAOYSA-N 1 0 247.338 2.285 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@@H]1CCOC1 ZINC000253071233 347932231 /nfs/dbraw/zinc/93/22/31/347932231.db2.gz NAIQZMJLGPNMQP-WUHRBBMRSA-N 1 0 222.332 2.083 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000595481362 348251991 /nfs/dbraw/zinc/25/19/91/348251991.db2.gz GESPKOKIAMKSIK-MGPQQGTHSA-N 1 0 236.359 2.473 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000595481361 348252124 /nfs/dbraw/zinc/25/21/24/348252124.db2.gz GESPKOKIAMKSIK-MELADBBJSA-N 1 0 236.359 2.473 10 30 BEEERO CC[N@@H+]1CC[C@@H](c2ccccc2C#N)C1 ZINC000616613609 349984187 /nfs/dbraw/zinc/98/41/87/349984187.db2.gz ZOFXTBYPJRAWAQ-GFCCVEGCSA-N 1 0 200.285 2.367 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597196382 348672817 /nfs/dbraw/zinc/67/28/17/348672817.db2.gz RZJRIEKPYHZZRW-CRWXNKLISA-N 1 0 234.343 2.226 10 30 BEEERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CO1 ZINC000597197780 348673965 /nfs/dbraw/zinc/67/39/65/348673965.db2.gz YXPOKGKUTBFUET-YVECIDJPSA-N 1 0 222.332 2.226 10 30 BEEERO C=CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)C1CCCC1 ZINC000037817666 166310969 /nfs/dbraw/zinc/31/09/69/166310969.db2.gz UWIWCFCYQZDFJT-DGCLKSJQSA-N 1 0 238.375 2.317 10 30 BEEERO CC(C)C[N@@H+]1CCc2onc(CS)c2C1 ZINC000725252358 538033418 /nfs/dbraw/zinc/03/34/18/538033418.db2.gz IRKBFXBMKJATHE-UHFFFAOYSA-N 1 0 226.345 2.119 10 30 BEEERO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)OC ZINC000308960505 349202790 /nfs/dbraw/zinc/20/27/90/349202790.db2.gz FYZUOZXMCLINSS-UTUOFQBUSA-N 1 0 210.321 2.083 10 30 BEEERO C#CCC[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC000039171213 350113101 /nfs/dbraw/zinc/11/31/01/350113101.db2.gz JNMBUZAZEDOCAV-UHFFFAOYSA-N 1 0 243.350 2.079 10 30 BEEERO C[N@@H+]1CCC[C@H]1c1cncc(CCC#N)c1 ZINC000218513127 350095212 /nfs/dbraw/zinc/09/52/12/350095212.db2.gz UJVQQGNWXGTASZ-ZDUSSCGKSA-N 1 0 215.300 2.304 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000324539905 350307032 /nfs/dbraw/zinc/30/70/32/350307032.db2.gz RMXODFOBJYQBBD-GRYCIOLGSA-N 1 0 224.348 2.065 10 30 BEEERO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163179593 350504742 /nfs/dbraw/zinc/50/47/42/350504742.db2.gz MHUFPHKZXHZEKS-XQQFMLRXSA-N 1 0 209.333 2.188 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000063100005 350572095 /nfs/dbraw/zinc/57/20/95/350572095.db2.gz OYKFOGRXNMGLJS-SFYZADRCSA-N 1 0 206.211 2.221 10 30 BEEERO CCCCCCCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000104056347 168647377 /nfs/dbraw/zinc/64/73/77/168647377.db2.gz IHVSPBBXFANZQN-OLZOCXBDSA-N 1 0 240.391 2.461 10 30 BEEERO N#Cc1ccc([C@@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616604998 350794090 /nfs/dbraw/zinc/79/40/90/350794090.db2.gz JFKSYPHKIGTWCZ-OAHLLOKOSA-N 1 0 243.354 2.086 10 30 BEEERO CNC(=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000052069302 350902650 /nfs/dbraw/zinc/90/26/50/350902650.db2.gz JGRPGMPYUSIWFG-UHFFFAOYSA-N 1 0 218.087 2.159 10 30 BEEERO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000397773249 350975385 /nfs/dbraw/zinc/97/53/85/350975385.db2.gz HQAUQCXIBGUKCJ-MELADBBJSA-N 1 0 236.359 2.163 10 30 BEEERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C#N)O1 ZINC000398172205 351008694 /nfs/dbraw/zinc/00/86/94/351008694.db2.gz UVXUZBDARDPDFK-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)O1 ZINC000398172196 351008889 /nfs/dbraw/zinc/00/88/89/351008889.db2.gz UVXUZBDARDPDFK-FDYHWXHSSA-N 1 0 222.332 2.226 10 30 BEEERO N#Cc1cccc([C@H]2CCCC[N@@H+](CCO)C2)c1 ZINC000616629691 351100685 /nfs/dbraw/zinc/10/06/85/351100685.db2.gz UADIWMCAERGEDK-HNNXBMFYSA-N 1 0 244.338 2.120 10 30 BEEERO N#Cc1cccc([C@H]2CCCCCN2CC[NH3+])c1 ZINC000616624975 351093157 /nfs/dbraw/zinc/09/31/57/351093157.db2.gz TYODTZWPJNVIIT-OAHLLOKOSA-N 1 0 243.354 2.434 10 30 BEEERO N#Cc1ccc([C@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616627517 351095899 /nfs/dbraw/zinc/09/58/99/351095899.db2.gz JFKSYPHKIGTWCZ-HNNXBMFYSA-N 1 0 243.354 2.086 10 30 BEEERO CC[N@@H+]1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649874 351180024 /nfs/dbraw/zinc/18/00/24/351180024.db2.gz MUUPEFIMDQUUEV-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc(C#N)c1 ZINC000616636694 351127089 /nfs/dbraw/zinc/12/70/89/351127089.db2.gz GWADMVFJJAMRBT-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000616636948 351130790 /nfs/dbraw/zinc/13/07/90/351130790.db2.gz GWADMVFJJAMRBT-CQSZACIVSA-N 1 0 243.354 2.303 10 30 BEEERO CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616666549 351226684 /nfs/dbraw/zinc/22/66/84/351226684.db2.gz YCLNBGBZLASUIX-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO CC#CC[C@@H]([NH3+])c1coc(Br)c1 ZINC000306956824 351379835 /nfs/dbraw/zinc/37/98/35/351379835.db2.gz SCOPMLCMGMZWFG-MRVPVSSYSA-N 1 0 228.089 2.455 10 30 BEEERO CC(C)[C@@H]([NH3+])CNc1c(F)cc(C#N)cc1F ZINC000133691954 351490181 /nfs/dbraw/zinc/49/01/81/351490181.db2.gz CUEGWDVFHIWLHC-NSHDSACASA-N 1 0 239.269 2.232 10 30 BEEERO C=C([C@H]([NH3+])[C@@H]1CCCCO1)C(F)(F)F ZINC000307189626 351590076 /nfs/dbraw/zinc/59/00/76/351590076.db2.gz VGPQYRHZMODAOM-YUMQZZPRSA-N 1 0 209.211 2.001 10 30 BEEERO C[C@@H](CCC#N)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000276274856 351613386 /nfs/dbraw/zinc/61/33/86/351613386.db2.gz DQNCYJYWGBHIBE-AAEUAGOBSA-N 1 0 232.331 2.249 10 30 BEEERO Brc1ccoc1C#C[C@H]1CC[NH2+]C1 ZINC000404609411 351601955 /nfs/dbraw/zinc/60/19/55/351601955.db2.gz DXFUYWKXBOUMFK-QMMMGPOBSA-N 1 0 240.100 2.003 10 30 BEEERO Clc1ccsc1C#C[C@@H]1CC[NH2+]C1 ZINC000404664976 351790878 /nfs/dbraw/zinc/79/08/78/351790878.db2.gz YGOPDGKCMPIILD-MRVPVSSYSA-N 1 0 211.717 2.363 10 30 BEEERO C#CC[NH2+]Cc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000019875335 187545227 /nfs/dbraw/zinc/54/52/27/187545227.db2.gz NBTPKYRYNVXJGN-NSHDSACASA-N 1 0 245.322 2.132 10 30 BEEERO C=CC(C)(C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000638454784 352264489 /nfs/dbraw/zinc/26/44/89/352264489.db2.gz KFDVPTSULURZCZ-NSHDSACASA-N 1 0 226.364 2.078 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638453964 352266876 /nfs/dbraw/zinc/26/68/76/352266876.db2.gz CFUACJCHTQHFLR-CQSZACIVSA-N 1 0 238.375 2.237 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)O1 ZINC000411722573 191206243 /nfs/dbraw/zinc/20/62/43/191206243.db2.gz QXYCUOSRWZDHMG-TUAOUCFPSA-N 1 0 222.332 2.226 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)O1 ZINC000411722567 191206690 /nfs/dbraw/zinc/20/66/90/191206690.db2.gz QXYCUOSRWZDHMG-IJLUTSLNSA-N 1 0 222.332 2.226 10 30 BEEERO C=CC[C@@H]([NH3+])c1nscc1Br ZINC000404797017 352470100 /nfs/dbraw/zinc/47/01/00/352470100.db2.gz IGFBBICWPXCJRB-ZCFIWIBFSA-N 1 0 233.134 2.482 10 30 BEEERO C[NH2+]CC#Cc1c(Cl)ccc(F)c1F ZINC000307376202 352476469 /nfs/dbraw/zinc/47/64/69/352476469.db2.gz VFRCCSWXYYUCOA-UHFFFAOYSA-N 1 0 215.630 2.189 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638875442 353041902 /nfs/dbraw/zinc/04/19/02/353041902.db2.gz UDRJLSARLHOUFB-NWDGAFQWSA-N 1 0 238.375 2.222 10 30 BEEERO C#C[C@H]([NH3+])c1c(C)cccc1Br ZINC000307712676 353106239 /nfs/dbraw/zinc/10/62/39/353106239.db2.gz XSYXKFNBQIYWSJ-VIFPVBQESA-N 1 0 224.101 2.391 10 30 BEEERO C[C@H]([NH3+])c1ccccc1N(C)CCC#N ZINC000019872589 188004592 /nfs/dbraw/zinc/00/45/92/188004592.db2.gz OTKASUJQGMNYSM-JTQLQIEISA-N 1 0 203.289 2.056 10 30 BEEERO C#CC[NH2+]C[C@H](C)N1CCc2sccc2[C@@H]1C ZINC000053495028 188046628 /nfs/dbraw/zinc/04/66/28/188046628.db2.gz FIEXARMZMDTPSS-RYUDHWBXSA-N 1 0 248.395 2.279 10 30 BEEERO C=CCC[C@@H](CC)[NH2+]CCc1cnn(C)c1 ZINC000127907346 353275975 /nfs/dbraw/zinc/27/59/75/353275975.db2.gz USKSCRANJRLOJR-CYBMUJFWSA-N 1 0 221.348 2.297 10 30 BEEERO CC(=NNC(N)=[NH2+])c1ccc2ccccc2c1 ZINC000027496403 188283034 /nfs/dbraw/zinc/28/30/34/188283034.db2.gz GORCRNRBOCCASF-SXGWCWSVSA-N 1 0 226.283 2.047 10 30 BEEERO CC(C)[N@H+](C)CCNc1ccccc1C#N ZINC000054128487 188300104 /nfs/dbraw/zinc/30/01/04/188300104.db2.gz QNBMPJVXONFPPT-UHFFFAOYSA-N 1 0 217.316 2.310 10 30 BEEERO Cc1ccc(OCC[N@@H+]2CCC[C@@H](C=O)C2)cc1 ZINC000054237043 188300637 /nfs/dbraw/zinc/30/06/37/188300637.db2.gz XMQHVKIXFNCXFY-CQSZACIVSA-N 1 0 247.338 2.285 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000155560927 188329624 /nfs/dbraw/zinc/32/96/24/188329624.db2.gz QOZZDJXGYGMROR-AWEZNQCLSA-N 1 0 231.343 2.242 10 30 BEEERO CC(C)C[C@@H](C[NH3+])Nc1cccc(F)c1C#N ZINC000111830545 188358191 /nfs/dbraw/zinc/35/81/91/188358191.db2.gz VODOYLNGIWNHIE-JTQLQIEISA-N 1 0 235.306 2.483 10 30 BEEERO CC(C)[C@@H]([NH3+])C#Cc1occc1Br ZINC000300977512 363247495 /nfs/dbraw/zinc/24/74/95/363247495.db2.gz SZDMNFZSAPYUQK-VIFPVBQESA-N 1 0 242.116 2.377 10 30 BEEERO N#CCc1nc(C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000051965861 181049648 /nfs/dbraw/zinc/04/96/48/181049648.db2.gz ZIQUUVPABVTYJB-GFCCVEGCSA-N 1 0 243.335 2.452 10 30 BEEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]C1(CO)CCCC1 ZINC000054829846 181058736 /nfs/dbraw/zinc/05/87/36/181058736.db2.gz RRLCEWRXMDBXEC-QWHCGFSZSA-N 1 0 236.359 2.354 10 30 BEEERO N#Cc1c(Cl)cccc1OC[C@H]1CCC[NH2+]1 ZINC000052908499 181074223 /nfs/dbraw/zinc/07/42/23/181074223.db2.gz BEQNXZMFWOBGKC-SECBINFHSA-N 1 0 236.702 2.342 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@H](C)N(C)C)cc1 ZINC000038088081 358483166 /nfs/dbraw/zinc/48/31/66/358483166.db2.gz BZJHVYRFALBLSB-ZDUSSCGKSA-N 1 0 248.370 2.291 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335576337 181076134 /nfs/dbraw/zinc/07/61/34/181076134.db2.gz BWTDQZRVQSZPPF-NXEZZACHSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335576340 181076424 /nfs/dbraw/zinc/07/64/24/181076424.db2.gz BWTDQZRVQSZPPF-ZJUUUORDSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1cc(Cl)ccc1NC1CC([NH3+])C1 ZINC000052858551 181086204 /nfs/dbraw/zinc/08/62/04/181086204.db2.gz HFIMMRYKQXPWKO-UHFFFAOYSA-N 1 0 221.691 2.113 10 30 BEEERO N#Cc1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]1 ZINC000052859345 181087234 /nfs/dbraw/zinc/08/72/34/181087234.db2.gz XANRVDJSZIHMJT-NSHDSACASA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037996931 181108604 /nfs/dbraw/zinc/10/86/04/181108604.db2.gz WWRXLLVAEDNVDF-AWEZNQCLSA-N 1 0 230.311 2.217 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc1 ZINC000037749014 181109512 /nfs/dbraw/zinc/10/95/12/181109512.db2.gz IYDNHHLGFSNONB-CABCVRRESA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000374345352 181103285 /nfs/dbraw/zinc/10/32/85/181103285.db2.gz LSWMSHMLKHQIPN-LSDHHAIUSA-N 1 0 242.322 2.169 10 30 BEEERO N#Cc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000042294810 181104612 /nfs/dbraw/zinc/10/46/12/181104612.db2.gz MNLWTMVABFJJHI-UHFFFAOYSA-N 1 0 232.352 2.497 10 30 BEEERO N#Cc1ccc(NCC[NH+]2CCCCC2)c(N)c1 ZINC000049574697 181121532 /nfs/dbraw/zinc/12/15/32/181121532.db2.gz QFRRLVCNYIGDOT-UHFFFAOYSA-N 1 0 244.342 2.038 10 30 BEEERO N#Cc1ccc(F)c(C[NH2+]C2CCC2)c1 ZINC000052210548 181112585 /nfs/dbraw/zinc/11/25/85/181112585.db2.gz WWNOYWILWPCKEG-UHFFFAOYSA-N 1 0 204.248 2.339 10 30 BEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070573794 181119311 /nfs/dbraw/zinc/11/93/11/181119311.db2.gz SFXBSGZRGKZXJZ-RYUDHWBXSA-N 1 0 243.310 2.014 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050702 181124245 /nfs/dbraw/zinc/12/42/45/181124245.db2.gz MIFDULJQMFOYTO-QWHCGFSZSA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019867656 181126030 /nfs/dbraw/zinc/12/60/30/181126030.db2.gz KANRALPOESVLSJ-AWEZNQCLSA-N 1 0 227.311 2.064 10 30 BEEERO N#Cc1cccc(C[NH2+]Cc2ccc[nH]2)c1 ZINC000051789219 181138316 /nfs/dbraw/zinc/13/83/16/181138316.db2.gz RXFRMCGECDWFFG-UHFFFAOYSA-N 1 0 211.268 2.176 10 30 BEEERO N#Cc1ccccc1C[NH2+]CCc1ccccn1 ZINC000020049633 181145864 /nfs/dbraw/zinc/14/58/64/181145864.db2.gz DSVIHOUSAXUAEU-UHFFFAOYSA-N 1 0 237.306 2.286 10 30 BEEERO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334795837 354549305 /nfs/dbraw/zinc/54/93/05/354549305.db2.gz JJZNXMJBHTXHIW-NEPJUHHUSA-N 1 0 207.317 2.063 10 30 BEEERO N#Cc1ccccc1OCCC[C@@H]1CCC[NH2+]1 ZINC000071309100 181148831 /nfs/dbraw/zinc/14/88/31/181148831.db2.gz VHRKSUXQLKWFAN-ZDUSSCGKSA-N 1 0 230.311 2.469 10 30 BEEERO N#Cc1cccnc1SCC1CC[NH2+]CC1 ZINC000095072074 181154257 /nfs/dbraw/zinc/15/42/57/181154257.db2.gz BQHFLWFPIARRJU-UHFFFAOYSA-N 1 0 233.340 2.045 10 30 BEEERO CO[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000383658234 354803816 /nfs/dbraw/zinc/80/38/16/354803816.db2.gz FUNSFEFARSGJFX-IACUBPJLSA-N 1 0 236.359 2.473 10 30 BEEERO C=CC[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000049812664 166398636 /nfs/dbraw/zinc/39/86/36/166398636.db2.gz YSZSMBVHNDJYMU-UHFFFAOYSA-N 1 0 203.285 2.343 10 30 BEEERO N#Cc1ccnc(OCCC[C@H]2CCCC[NH2+]2)c1 ZINC000095072077 181158504 /nfs/dbraw/zinc/15/85/04/181158504.db2.gz PBWYZSIQVFAMSR-CYBMUJFWSA-N 1 0 245.326 2.254 10 30 BEEERO C=CCCC[N@@H+](C)CCCc1cnn(C)c1 ZINC000121107093 355391827 /nfs/dbraw/zinc/39/18/27/355391827.db2.gz XYFVBVPWULNOKN-UHFFFAOYSA-N 1 0 221.348 2.251 10 30 BEEERO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCO1 ZINC000035247556 356425984 /nfs/dbraw/zinc/42/59/84/356425984.db2.gz FUKAJWYALPTNDW-RISCZKNCSA-N 1 0 230.311 2.215 10 30 BEEERO C[N@@H+]1CCC[C@@H]2CN(CC3(C#N)CCC3)CC[C@H]21 ZINC000336187515 134121907 /nfs/dbraw/zinc/12/19/07/134121907.db2.gz DVAYLGNZSJVHAW-ZIAGYGMSSA-N 1 0 247.386 2.096 10 30 BEEERO O=C1C=COC12CC[NH+](Cc1ccccc1)CC2 ZINC000675050624 538472471 /nfs/dbraw/zinc/47/24/71/538472471.db2.gz DVNXFIAYIZOBGV-UHFFFAOYSA-N 1 0 243.306 2.134 10 30 BEEERO CC1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060181 538485848 /nfs/dbraw/zinc/48/58/48/538485848.db2.gz TUWDJWUBUHMBPR-POOIEITISA-N 1 0 209.333 2.237 10 30 BEEERO C[C@@H]1CCC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675060097 538485867 /nfs/dbraw/zinc/48/58/67/538485867.db2.gz RZUFXHCRLDSXLN-VOAKCMCISA-N 1 0 209.333 2.237 10 30 BEEERO C[C@@H]1CCC[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675060094 538485877 /nfs/dbraw/zinc/48/58/77/538485877.db2.gz RZUFXHCRLDSXLN-FVCCEPFGSA-N 1 0 209.333 2.237 10 30 BEEERO C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C[C@@H]1C ZINC000675060089 538486263 /nfs/dbraw/zinc/48/62/63/538486263.db2.gz RYENGWHTWHAVLO-BJJPWKGXSA-N 1 0 223.360 2.483 10 30 BEEERO C#CC[NH2+]Cc1ccccc1OC(C)C ZINC000034992257 356656391 /nfs/dbraw/zinc/65/63/91/356656391.db2.gz PRFCDYDHZHJERQ-UHFFFAOYSA-N 1 0 203.285 2.197 10 30 BEEERO C=C1CCC(CC2=C[C@@H](O)C[NH2+]C2)CC1 ZINC000675077813 538513402 /nfs/dbraw/zinc/51/34/02/538513402.db2.gz RJYUOTJLMNXWEY-CYBMUJFWSA-N 1 0 207.317 2.013 10 30 BEEERO C#CCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000113335570 134161284 /nfs/dbraw/zinc/16/12/84/134161284.db2.gz PAFGLHNWCMVBAC-RISCZKNCSA-N 1 0 215.296 2.197 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@@H](C)O1 ZINC000384984212 356835142 /nfs/dbraw/zinc/83/51/42/356835142.db2.gz URBONONACCEKSW-LBELIVKGSA-N 1 0 222.332 2.224 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@H](C)O1 ZINC000384984218 356835150 /nfs/dbraw/zinc/83/51/50/356835150.db2.gz URBONONACCEKSW-SJHCENCUSA-N 1 0 222.332 2.224 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000388655089 357093368 /nfs/dbraw/zinc/09/33/68/357093368.db2.gz FJVKRGLYJBPRRE-AAVRWANBSA-N 1 0 236.359 2.473 10 30 BEEERO C#C[C@H]([NH2+]CC)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300031776 357173997 /nfs/dbraw/zinc/17/39/97/357173997.db2.gz UJNADOJFVZNFBI-NAKRPEOUSA-N 1 0 229.414 2.223 10 30 BEEERO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000351224314 358163482 /nfs/dbraw/zinc/16/34/82/358163482.db2.gz JZYXMOSXSYDLTJ-ZIAGYGMSSA-N 1 0 242.322 2.421 10 30 BEEERO O=C[C@H]1CCC2=C(C1)C1=CC(F)=CC[C@@H]1[NH2+]2 ZINC000584617307 358282130 /nfs/dbraw/zinc/28/21/30/358282130.db2.gz VEEXJXKSWMHHDZ-SDBXPKJASA-N 1 0 219.259 2.395 10 30 BEEERO O=C[C@@H]1CCC2=C(C1)C1=CC(F)=CC[C@@H]1[NH2+]2 ZINC000584617306 358282381 /nfs/dbraw/zinc/28/23/81/358282381.db2.gz VEEXJXKSWMHHDZ-OQPBUACISA-N 1 0 219.259 2.395 10 30 BEEERO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000124134080 358514035 /nfs/dbraw/zinc/51/40/35/358514035.db2.gz JCYFIRXICQNHPI-OLZOCXBDSA-N 1 0 237.391 2.198 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000130169677 358569477 /nfs/dbraw/zinc/56/94/77/358569477.db2.gz AZQWIBUXDNLSHL-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000134973811 358813725 /nfs/dbraw/zinc/81/37/25/358813725.db2.gz CQDMHIDKYMMRLO-OCCSQVGLSA-N 1 0 238.375 2.189 10 30 BEEERO C=CC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134143807 358782019 /nfs/dbraw/zinc/78/20/19/358782019.db2.gz XVIHOWVAGVMDGX-RISCZKNCSA-N 1 0 217.312 2.496 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1 ZINC000134696127 358802296 /nfs/dbraw/zinc/80/22/96/358802296.db2.gz LUPXVAZCUACABL-OAHLLOKOSA-N 1 0 249.354 2.358 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000130286987 359012516 /nfs/dbraw/zinc/01/25/16/359012516.db2.gz BFHRZELXSRRQAV-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@@H]([NH3+])c1sccc1Br ZINC000130311741 359341056 /nfs/dbraw/zinc/34/10/56/359341056.db2.gz AOVZPVQBWHPHFR-ZCFIWIBFSA-N 1 0 216.103 2.144 10 30 BEEERO C=C(Br)COC1(C)CC[NH2+]CC1 ZINC000306450126 360019481 /nfs/dbraw/zinc/01/94/81/360019481.db2.gz OKOXPWSVFGLMNZ-UHFFFAOYSA-N 1 0 234.137 2.054 10 30 BEEERO N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000435203767 201251718 /nfs/dbraw/zinc/25/17/18/201251718.db2.gz YXPPYCVEYGPXTF-ZFWWWQNUSA-N 1 0 242.322 2.421 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228563908 361668199 /nfs/dbraw/zinc/66/81/99/361668199.db2.gz GBIVZUAOVLKOFC-SRVKXCTJSA-N 1 0 224.373 2.411 10 30 BEEERO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252760729 364673739 /nfs/dbraw/zinc/67/37/39/364673739.db2.gz WWOBWCXOMJXRIU-NNYUYHANSA-N 1 0 209.333 2.354 10 30 BEEERO C#CC[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000365291651 367057654 /nfs/dbraw/zinc/05/76/54/367057654.db2.gz POLAXOXDMHFHKG-IYXRBSQSSA-N 1 0 221.344 2.480 10 30 BEEERO C#CC[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000365291645 367057802 /nfs/dbraw/zinc/05/78/02/367057802.db2.gz POLAXOXDMHFHKG-HSBZDZAISA-N 1 0 221.344 2.480 10 30 BEEERO CCOC(=O)CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000081546010 370890449 /nfs/dbraw/zinc/89/04/49/370890449.db2.gz WWZOMIBATSRMFG-NEPJUHHUSA-N 1 0 238.331 2.002 10 30 BEEERO CSCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000069001134 370872333 /nfs/dbraw/zinc/87/23/33/370872333.db2.gz RFHINRRYPGGINU-WDEREUQCSA-N 1 0 212.362 2.411 10 30 BEEERO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000081711780 370914876 /nfs/dbraw/zinc/91/48/76/370914876.db2.gz ZBOIJIVICOUBCT-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO CC[N@@H+]1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616598533 369099231 /nfs/dbraw/zinc/09/92/31/369099231.db2.gz MUUPEFIMDQUUEV-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)cc1 ZINC000404837119 369436852 /nfs/dbraw/zinc/43/68/52/369436852.db2.gz LEQIDCDDQPSZKJ-UHFFFAOYSA-N 1 0 215.300 2.099 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955282 369577326 /nfs/dbraw/zinc/57/73/26/369577326.db2.gz LTLOWJUOWKTPGO-PWSUYJOCSA-N 1 0 244.342 2.123 10 30 BEEERO N#Cc1cc(F)ccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600959205 369575492 /nfs/dbraw/zinc/57/54/92/369575492.db2.gz SZGHGVCWBPQYDI-CYBMUJFWSA-N 1 0 247.317 2.405 10 30 BEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1F ZINC000600951502 369578333 /nfs/dbraw/zinc/57/83/33/369578333.db2.gz LGQUBACNWIZUTG-WCQYABFASA-N 1 0 233.290 2.250 10 30 BEEERO CC[C@H]1CN(c2cccc(F)c2C#N)CC[C@H]1[NH3+] ZINC000251775666 369961464 /nfs/dbraw/zinc/96/14/64/369961464.db2.gz MSPSLJBYHSKOGY-GXFFZTMASA-N 1 0 247.317 2.261 10 30 BEEERO C[C@H]([NH3+])CCNc1cc(Cl)ccc1C#N ZINC000063171412 370138191 /nfs/dbraw/zinc/13/81/91/370138191.db2.gz SEIYQNBIVYTIJT-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@H](O)C1 ZINC000309721118 370249251 /nfs/dbraw/zinc/24/92/51/370249251.db2.gz BTXVLHHAZDSBRA-AGIUHOORSA-N 1 0 224.348 2.019 10 30 BEEERO O/N=C1\CCCC[C@@H]1/[N+](O)=C/c1ccccc1 ZINC000225433736 370625929 /nfs/dbraw/zinc/62/59/29/370625929.db2.gz DEYVTMLATUPILU-SJBDGRJTSA-O 1 0 233.291 2.280 10 30 BEEERO C=C[C@@H]([NH3+])c1ccc(C(F)(F)F)cn1 ZINC000161684583 371030274 /nfs/dbraw/zinc/03/02/74/371030274.db2.gz AUGXJNWIBIRZOY-SSDOTTSWSA-N 1 0 202.179 2.286 10 30 BEEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000126710018 371545471 /nfs/dbraw/zinc/54/54/71/371545471.db2.gz LOIFFNMNMOEXLW-VXGBXAGGSA-N 1 0 224.348 2.209 10 30 BEEERO CCC[C@@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000133118378 371991532 /nfs/dbraw/zinc/99/15/32/371991532.db2.gz CNQKYQFWBHIMJT-GFCCVEGCSA-N 1 0 223.364 2.000 10 30 BEEERO C=C(C)[C@H]([NH2+]C)[C@H]1SCCS[C@@H]1C ZINC000228117456 371992514 /nfs/dbraw/zinc/99/25/14/371992514.db2.gz CSJMHHKIWYJQLH-UTLUCORTSA-N 1 0 217.403 2.388 10 30 BEEERO C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[C@H]1CO1 ZINC000306729085 372061398 /nfs/dbraw/zinc/06/13/98/372061398.db2.gz OGKHZRXMEUBNIJ-RWMBFGLXSA-N 1 0 209.333 2.430 10 30 BEEERO C[NH2+]CC#Cc1sccc1Br ZINC000229455528 372155042 /nfs/dbraw/zinc/15/50/42/372155042.db2.gz SXAUXGBPEUQCSX-UHFFFAOYSA-N 1 0 230.130 2.082 10 30 BEEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000040503284 373356526 /nfs/dbraw/zinc/35/65/26/373356526.db2.gz BINFNUIJKOXBDY-CQSZACIVSA-N 1 0 229.327 2.454 10 30 BEEERO CC[NH2+][C@@H](C)c1sc(CC#N)nc1C ZINC000040994640 170143407 /nfs/dbraw/zinc/14/34/07/170143407.db2.gz BHGRENSBIKAFMG-ZETCQYMHSA-N 1 0 209.318 2.188 10 30 BEEERO CCC[N@H+](C/C(N)=N/O)[C@@H]1CCCC[C@@H]1CC ZINC000104381480 169090015 /nfs/dbraw/zinc/09/00/15/169090015.db2.gz JWHJTPFJJJWRBE-NWDGAFQWSA-N 1 0 241.379 2.414 10 30 BEEERO CCC[N@H+](CCN(C)C)C[C@](C)(C=O)CCC ZINC000051178847 169158360 /nfs/dbraw/zinc/15/83/60/169158360.db2.gz QEGFWWYVCYGEKO-CQSZACIVSA-N 1 0 242.407 2.265 10 30 BEEERO CCC[NH+]1CCN([C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000037146443 169203361 /nfs/dbraw/zinc/20/33/61/169203361.db2.gz UXVMZCZXIYDAPS-ZIAGYGMSSA-N 1 0 235.375 2.096 10 30 BEEERO CCCN[C@H](C#N)CN1CCC(C)(CC)CC1 ZINC000062955940 169284376 /nfs/dbraw/zinc/28/43/76/169284376.db2.gz SUTVKVMIDBINPA-CYBMUJFWSA-N 1 0 237.391 2.390 10 30 BEEERO CCC[C@@H](C#N)N1CC[NH+](C2CCCC2)CC1 ZINC000104073538 169342901 /nfs/dbraw/zinc/34/29/01/169342901.db2.gz BERJTPOVHCNVLC-AWEZNQCLSA-N 1 0 235.375 2.239 10 30 BEEERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccccc1C#N ZINC000076629142 169383616 /nfs/dbraw/zinc/38/36/16/169383616.db2.gz CFSZGCGHVVNXLU-LLVKDONJSA-N 1 0 245.326 2.262 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000320130099 384222501 /nfs/dbraw/zinc/22/25/01/384222501.db2.gz QUCVULPPIKHLMP-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCCO1 ZINC000136256671 384486574 /nfs/dbraw/zinc/48/65/74/384486574.db2.gz ATSNCYUKEMVCKA-QMTHXVAHSA-N 1 0 248.301 2.354 10 30 BEEERO CC#CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000155551630 384729937 /nfs/dbraw/zinc/72/99/37/384729937.db2.gz YNNNCQNBXOAUEI-UHFFFAOYSA-N 1 0 231.343 2.009 10 30 BEEERO C=CC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273082353 384771468 /nfs/dbraw/zinc/77/14/68/384771468.db2.gz HSTLZLMBNFXDQS-LLVKDONJSA-N 1 0 211.692 2.149 10 30 BEEERO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO1 ZINC000119787732 384950082 /nfs/dbraw/zinc/95/00/82/384950082.db2.gz IUQVRGNRNNKWIK-CYBMUJFWSA-N 1 0 248.301 2.308 10 30 BEEERO CN(Cc1cccnc1)CC1(C#N)CCC1 ZINC000258965288 384957302 /nfs/dbraw/zinc/95/73/02/384957302.db2.gz SFWVOLJUDMRWBE-UHFFFAOYSA-N 1 0 215.300 2.207 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320865668 384930157 /nfs/dbraw/zinc/93/01/57/384930157.db2.gz NKARMYIKYMWKHN-MWLCHTKSSA-N 1 0 232.331 2.108 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320865666 384930867 /nfs/dbraw/zinc/93/08/67/384930867.db2.gz NKARMYIKYMWKHN-GXSJLCMTSA-N 1 0 232.331 2.108 10 30 BEEERO CC[C@@H]([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000068771309 385014578 /nfs/dbraw/zinc/01/45/78/385014578.db2.gz WTHKHJXZGVPGCG-LLVKDONJSA-N 1 0 240.310 2.256 10 30 BEEERO C=CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000145966857 385030205 /nfs/dbraw/zinc/03/02/05/385030205.db2.gz KBCISEBKFUOCHX-UHFFFAOYSA-N 1 0 217.312 2.200 10 30 BEEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336255171 385102483 /nfs/dbraw/zinc/10/24/83/385102483.db2.gz XSTHNHTYOHNHHR-IINYFYTJSA-N 1 0 248.301 2.043 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000584599197 385468218 /nfs/dbraw/zinc/46/82/18/385468218.db2.gz SKXVYCNUMASLPT-BJHJDKERSA-N 1 0 215.300 2.240 10 30 BEEERO CC(C)OC1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000309589065 385718755 /nfs/dbraw/zinc/71/87/55/385718755.db2.gz UBNRFNGYHGRJLY-XVSSEFHLSA-N 1 0 222.332 2.224 10 30 BEEERO C#CCCC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000309608861 385739543 /nfs/dbraw/zinc/73/95/43/385739543.db2.gz ZJKUKKJSUNKLSC-JHJVBQTASA-N 1 0 221.344 2.193 10 30 BEEERO COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309681097 385786396 /nfs/dbraw/zinc/78/63/96/385786396.db2.gz ZLTQZVKGHPCKFR-AVGNSLFASA-N 1 0 224.348 2.329 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc(F)cc1C#N ZINC000309189961 385953019 /nfs/dbraw/zinc/95/30/19/385953019.db2.gz BBFWJSYZLHBIEX-VIFPVBQESA-N 1 0 221.279 2.237 10 30 BEEERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000425343539 386855723 /nfs/dbraw/zinc/85/57/23/386855723.db2.gz RZNAEZNUJBMYTM-ZRUFSTJUSA-N 1 0 210.346 2.162 10 30 BEEERO C=C(Br)C[NH2+][C@@]1(C)C[C@@H]1C ZINC000575575193 386992654 /nfs/dbraw/zinc/99/26/54/386992654.db2.gz DSCMWGXXWBGVGR-XPUUQOCRSA-N 1 0 204.111 2.283 10 30 BEEERO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398795908 386994000 /nfs/dbraw/zinc/99/40/00/386994000.db2.gz RITLJJIRLGLNEZ-RWMBFGLXSA-N 1 0 209.333 2.045 10 30 BEEERO C[C@@H]([NH3+])C#Cc1ccc(Br)cc1 ZINC000575492444 387278673 /nfs/dbraw/zinc/27/86/73/387278673.db2.gz AKZHDGCEVPTWGV-MRVPVSSYSA-N 1 0 224.101 2.148 10 30 BEEERO C[C@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000104226465 387489117 /nfs/dbraw/zinc/48/91/17/387489117.db2.gz XIPPHEIQFKROPM-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000038050796 177838457 /nfs/dbraw/zinc/83/84/57/177838457.db2.gz OMAVEGCDDWXURA-CHWSQXEVSA-N 1 0 244.342 2.252 10 30 BEEERO C[C@H](C#N)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000240551432 387937925 /nfs/dbraw/zinc/93/79/25/387937925.db2.gz GTPQMBRYTKGQES-HUUCEWRRSA-N 1 0 249.402 2.342 10 30 BEEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000086500183 388367777 /nfs/dbraw/zinc/36/77/77/388367777.db2.gz ZVGGUYGSNWJKLH-BXKDBHETSA-N 1 0 236.340 2.277 10 30 BEEERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(C#N)cc1 ZINC000368495468 388681926 /nfs/dbraw/zinc/68/19/26/388681926.db2.gz JXKUMOCXVCYUHT-QZKOUSHUSA-N 1 0 242.322 2.101 10 30 BEEERO Cc1cc(N[C@H](C[NH3+])CC(C)C)cc(C#N)n1 ZINC000308246755 388658245 /nfs/dbraw/zinc/65/82/45/388658245.db2.gz ZCUHCNKZVSHBQU-LBPRGKRZSA-N 1 0 232.331 2.047 10 30 BEEERO CC[N@H+](Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000126359881 388824951 /nfs/dbraw/zinc/82/49/51/388824951.db2.gz LPXLGXCPQNXFJZ-UHFFFAOYSA-N 1 0 242.326 2.436 10 30 BEEERO CC[NH2+]CC#Cc1cccc(Br)c1 ZINC000575493475 388947903 /nfs/dbraw/zinc/94/79/03/388947903.db2.gz OCYOTJGBGWUUJH-UHFFFAOYSA-N 1 0 238.128 2.410 10 30 BEEERO C=CCCCC[NH2+]Cc1cnn(C)c1C ZINC000274406927 389046162 /nfs/dbraw/zinc/04/61/62/389046162.db2.gz CMLHOQFQKBXAJK-UHFFFAOYSA-N 1 0 207.321 2.174 10 30 BEEERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1C#N ZINC000090567443 132311775 /nfs/dbraw/zinc/31/17/75/132311775.db2.gz CELGQORPONHNLN-VXGBXAGGSA-N 1 0 229.327 2.053 10 30 BEEERO N#Cc1ccc(N2CCC([NH3+])CC2)c(Cl)c1 ZINC000062791265 132388674 /nfs/dbraw/zinc/38/86/74/132388674.db2.gz IAKMPXSENSQKTK-UHFFFAOYSA-N 1 0 235.718 2.139 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1cc(C#N)cc(C)n1 ZINC000161780495 133516234 /nfs/dbraw/zinc/51/62/34/133516234.db2.gz BMYRZPFVBALQRJ-GFCCVEGCSA-N 1 0 232.331 2.191 10 30 BEEERO C[N@@H+]1CCCC12CCN(CC1(C#N)CCC1)CC2 ZINC000336198314 134127277 /nfs/dbraw/zinc/12/72/77/134127277.db2.gz GECHFWYXFQLSOR-UHFFFAOYSA-N 1 0 247.386 2.240 10 30 BEEERO C=C[C@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000119368470 134226502 /nfs/dbraw/zinc/22/65/02/134226502.db2.gz CJKSRWVIWCOBEI-HOCLYGCPSA-N 1 0 244.382 2.468 10 30 BEEERO Cc1cnc([C@@H](C)[NH2+]CCCCC#N)o1 ZINC000220935534 134314784 /nfs/dbraw/zinc/31/47/84/134314784.db2.gz RZMDVKYAGPXMMY-SNVBAGLBSA-N 1 0 207.277 2.328 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127945538 134611116 /nfs/dbraw/zinc/61/11/16/134611116.db2.gz HGELRCIKVDDEQT-UONOGXRCSA-N 1 0 236.359 2.307 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CCCCO ZINC000006313051 134844674 /nfs/dbraw/zinc/84/46/74/134844674.db2.gz DJBIURQZZVYRTA-UHFFFAOYSA-N 1 0 235.327 2.114 10 30 BEEERO Cn1nccc1C1CC[NH+](CCCCC#N)CC1 ZINC000171037537 134881547 /nfs/dbraw/zinc/88/15/47/134881547.db2.gz WHIHWYGVPGUTAM-UHFFFAOYSA-N 1 0 246.358 2.293 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCCC#N ZINC000252661854 135094629 /nfs/dbraw/zinc/09/46/29/135094629.db2.gz QIZUOCUILZZCJJ-KGLIPLIRSA-N 1 0 235.375 2.239 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252809376 135111687 /nfs/dbraw/zinc/11/16/87/135111687.db2.gz LMSOBJJEWOQSTR-RWMBFGLXSA-N 1 0 211.349 2.482 10 30 BEEERO C[C@@H]1C[NH+](CCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000087608397 135158682 /nfs/dbraw/zinc/15/86/82/135158682.db2.gz WQVBHQQSWIOVNO-VXGBXAGGSA-N 1 0 224.348 2.426 10 30 BEEERO C[C@H]1C[NH+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000087595021 135159204 /nfs/dbraw/zinc/15/92/04/135159204.db2.gz HSKXNQMPRBVEEI-QWRGUYRKSA-N 1 0 210.321 2.035 10 30 BEEERO C[C@H]1CCN(c2ccc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000261549037 135187789 /nfs/dbraw/zinc/18/77/89/135187789.db2.gz FPHJBBQYSWKLJD-JQWIXIFHSA-N 1 0 247.317 2.261 10 30 BEEERO CC1(C)CN(c2cccc(F)c2C#N)CC[C@@H]1[NH3+] ZINC000261573294 135215338 /nfs/dbraw/zinc/21/53/38/135215338.db2.gz MEGFQXAIDVFUKF-ZDUSSCGKSA-N 1 0 247.317 2.261 10 30 BEEERO C#CC[N@H+](Cc1ccc(F)cc1)CC(C)(C)O ZINC000120865284 135220277 /nfs/dbraw/zinc/22/02/77/135220277.db2.gz VSHQRGSPLJUKNW-UHFFFAOYSA-N 1 0 235.302 2.032 10 30 BEEERO C[NH+]=C(NCC1(C(F)(F)F)CCC1)NC1CC1 ZINC000262140228 135281226 /nfs/dbraw/zinc/28/12/26/135281226.db2.gz PNABHZVPJGITHG-UHFFFAOYSA-N 1 0 249.280 2.046 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1C1CCCCC1 ZINC000262503185 135303191 /nfs/dbraw/zinc/30/31/91/135303191.db2.gz AMYQNYKLJZADRB-OLZOCXBDSA-N 1 0 235.375 2.436 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@@H](C)C1 ZINC000262533827 135304637 /nfs/dbraw/zinc/30/46/37/135304637.db2.gz JCYIBFICAOQYNR-GHMZBOCLSA-N 1 0 223.364 2.092 10 30 BEEERO Cc1ccc(Cl)cc1CNC1=[NH+]CCN1C ZINC000262682240 135312722 /nfs/dbraw/zinc/31/27/22/135312722.db2.gz WSNYPEAYKACTFO-UHFFFAOYSA-N 1 0 237.734 2.039 10 30 BEEERO C[C@@]1(CNC(=[NH2+])N2CCC2)C[C@H]1c1ccccc1 ZINC000263153236 135336307 /nfs/dbraw/zinc/33/63/07/135336307.db2.gz PSHIJJBSDBJTSG-ZFWWWQNUSA-N 1 0 243.354 2.201 10 30 BEEERO C[C@H](CCC#N)[NH2+][C@@H](CO)c1ccccc1 ZINC000278503684 135368465 /nfs/dbraw/zinc/36/84/65/135368465.db2.gz AOUUVHXEIJRAIQ-YPMHNXCESA-N 1 0 218.300 2.002 10 30 BEEERO C[C@@H]1C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000401504294 533672927 /nfs/dbraw/zinc/67/29/27/533672927.db2.gz QUCOSFSIRLTVOK-VXGBXAGGSA-N 1 0 224.348 2.019 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000602883536 398081890 /nfs/dbraw/zinc/08/18/90/398081890.db2.gz JANQUPRLJACSAD-AVGNSLFASA-N 1 0 236.359 2.473 10 30 BEEERO COCC#CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000650336134 398118406 /nfs/dbraw/zinc/11/84/06/398118406.db2.gz XIDCQNGUZLKIBG-CYBMUJFWSA-N 1 0 217.312 2.295 10 30 BEEERO C[NH2+]CC#Cc1cccc(Br)c1F ZINC000234361977 398133466 /nfs/dbraw/zinc/13/34/66/398133466.db2.gz TUIHFVKHQHEURN-UHFFFAOYSA-N 1 0 242.091 2.159 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000662954365 409988063 /nfs/dbraw/zinc/98/80/63/409988063.db2.gz VABIZIXXPJGZSV-VXGBXAGGSA-N 1 0 238.375 2.222 10 30 BEEERO C#CC[NH2+]C[C@@H](C)Oc1ccccc1CC=C ZINC000053588972 166187199 /nfs/dbraw/zinc/18/71/99/166187199.db2.gz RHQCGULBNKLQMJ-CYBMUJFWSA-N 1 0 229.323 2.405 10 30 BEEERO C#CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019875635 166190913 /nfs/dbraw/zinc/19/09/13/166190913.db2.gz GUJSMWVMZHZCQM-GHMZBOCLSA-N 1 0 215.296 2.472 10 30 BEEERO C#CC[NH2+][C@H](C)c1ccccc1OCC ZINC000019875600 166192909 /nfs/dbraw/zinc/19/29/09/166192909.db2.gz ZZQPVCVMRKWKQW-LLVKDONJSA-N 1 0 203.285 2.369 10 30 BEEERO C=CCN(C(=O)C[NH2+][C@@H](C)CC)C1CCCC1 ZINC000037817692 166308705 /nfs/dbraw/zinc/30/87/05/166308705.db2.gz NYUDCPGCPPWPRP-LBPRGKRZSA-N 1 0 238.375 2.332 10 30 BEEERO C=CCN(C(=O)[C@H]([NH3+])CCCC)C1CCCC1 ZINC000037817695 166310750 /nfs/dbraw/zinc/31/07/50/166310750.db2.gz IKSCGNUJFADONN-CYBMUJFWSA-N 1 0 238.375 2.461 10 30 BEEERO C=CC[NH+](CC=C)CCc1ccc(N)cc1 ZINC000020071300 166335191 /nfs/dbraw/zinc/33/51/91/166335191.db2.gz UHQOVIVMFZTOHC-UHFFFAOYSA-N 1 0 216.328 2.485 10 30 BEEERO C=CCN(CC=C)c1ccc(C[NH2+]CCC)nn1 ZINC000051398986 166336521 /nfs/dbraw/zinc/33/65/21/166336521.db2.gz SKMQRUVKACQLMQ-UHFFFAOYSA-N 1 0 246.358 2.155 10 30 BEEERO C=CCN(CC[NH3+])Cc1c(F)cccc1Cl ZINC000032100834 166341413 /nfs/dbraw/zinc/34/14/13/166341413.db2.gz DLZFYYNSYCQJAH-UHFFFAOYSA-N 1 0 242.725 2.426 10 30 BEEERO C=CCNC(=O)C[C@H](C[NH3+])c1cc(C)ccc1C ZINC000076631636 166373823 /nfs/dbraw/zinc/37/38/23/166373823.db2.gz WBLNLIDEHNYDIT-CYBMUJFWSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]CCC(=O)c1ccc(F)c(F)c1 ZINC000049819912 166399247 /nfs/dbraw/zinc/39/92/47/166399247.db2.gz QMZXRPUHPUHTMJ-UHFFFAOYSA-N 1 0 225.238 2.313 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1cc(F)ccc1F ZINC000049820739 166399286 /nfs/dbraw/zinc/39/92/86/166399286.db2.gz VKFZINKQXTZSRB-GFCCVEGCSA-N 1 0 227.254 2.164 10 30 BEEERO CC(C)N[C@H](C#N)CC[N@H+](CC1CC1)C(C)C ZINC000062437764 167136665 /nfs/dbraw/zinc/13/66/65/167136665.db2.gz DMNYFIBMJNEESM-AWEZNQCLSA-N 1 0 237.391 2.387 10 30 BEEERO C#CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000070197450 411164565 /nfs/dbraw/zinc/16/45/65/411164565.db2.gz UGZRIRSWTAPPCX-LLVKDONJSA-N 1 0 231.295 2.132 10 30 BEEERO C=CC[C@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000307143502 411206699 /nfs/dbraw/zinc/20/66/99/411206699.db2.gz FLQKNSUTDXSRBK-AWEZNQCLSA-N 1 0 216.328 2.166 10 30 BEEERO CC1CCC(CO)([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054829918 168156793 /nfs/dbraw/zinc/15/67/93/168156793.db2.gz GAIANRRMLGEFCQ-CEUNDQEZSA-N 1 0 236.359 2.209 10 30 BEEERO CCC(C)(C)[NH2+]Cc1cccnc1C#N ZINC000061656788 168298803 /nfs/dbraw/zinc/29/88/03/168298803.db2.gz VOUBOSNXLVKZRA-UHFFFAOYSA-N 1 0 203.289 2.231 10 30 BEEERO CCN[C@@](C)(C#N)CCN1Cc2ccccc2C1 ZINC000050912114 170154850 /nfs/dbraw/zinc/15/48/50/170154850.db2.gz UUPUDJNOYNXEPY-OAHLLOKOSA-N 1 0 243.354 2.284 10 30 BEEERO CCN[C@@]1(C#N)CCc2ccccc2C1 ZINC000037460384 170155142 /nfs/dbraw/zinc/15/51/42/170155142.db2.gz LUCFCTWCKBGBPE-ZDUSSCGKSA-N 1 0 200.285 2.047 10 30 BEEERO CCN[C@@](C)(C#N)CCCn1cnc(C)c1C ZINC000051928060 170155480 /nfs/dbraw/zinc/15/54/80/170155480.db2.gz NKNPFIBFXPFKBS-CYBMUJFWSA-N 1 0 234.347 2.172 10 30 BEEERO CC[NH2+][C@H](C)c1sc(CC#N)nc1C ZINC000040994643 170160708 /nfs/dbraw/zinc/16/07/08/170160708.db2.gz BHGRENSBIKAFMG-SSDOTTSWSA-N 1 0 209.318 2.188 10 30 BEEERO CC[NH2+][C@H]1CCCc2nc(CC#N)sc21 ZINC000050330139 170166672 /nfs/dbraw/zinc/16/66/72/170166672.db2.gz KKWVFCKBZOUQPX-QMMMGPOBSA-N 1 0 221.329 2.196 10 30 BEEERO CC[C@@H]1CC[C@H](C#N)[C@H](N(C)CC[NH+](C)C)C1 ZINC000104202038 171045296 /nfs/dbraw/zinc/04/52/96/171045296.db2.gz YUFJAFMVLNWGFF-MGPQQGTHSA-N 1 0 237.391 2.198 10 30 BEEERO CC[C@H](C)[N@H+](CCCCC#N)CCOC ZINC000042582731 171313554 /nfs/dbraw/zinc/31/35/54/171313554.db2.gz RZYCHIASIGEUAM-LBPRGKRZSA-N 1 0 212.337 2.427 10 30 BEEERO CC[C@H](C)[NH+]1CCN([C@@H](CC)CC#N)CC1 ZINC000055066400 171319539 /nfs/dbraw/zinc/31/95/39/171319539.db2.gz YSXLTMCFTMJPFA-STQMWFEESA-N 1 0 223.364 2.095 10 30 BEEERO CC[C@H](C)OCc1cc(C#CC[NH3+])ccc1OC ZINC000049611104 171355134 /nfs/dbraw/zinc/35/51/34/171355134.db2.gz RGRHMIZZFSBCBO-LBPRGKRZSA-N 1 0 247.338 2.321 10 30 BEEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C#N)ccc1C ZINC000050430426 171396470 /nfs/dbraw/zinc/39/64/70/171396470.db2.gz QPFHGEYXTNQHEP-ZANVPECISA-N 1 0 245.326 2.179 10 30 BEEERO C=CCC1(NC(=O)C[C@H]([NH3+])C(C)C)CCCC1 ZINC000662889246 412337669 /nfs/dbraw/zinc/33/76/69/412337669.db2.gz USDCPFOJLVVXPO-LBPRGKRZSA-N 1 0 238.375 2.365 10 30 BEEERO C=CCC1(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000662889559 412337790 /nfs/dbraw/zinc/33/77/90/412337790.db2.gz XTSQGCGEWYFSHB-VXGBXAGGSA-N 1 0 236.359 2.119 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000662953363 412353446 /nfs/dbraw/zinc/35/34/46/412353446.db2.gz NEDFNWBISNGICE-NEPJUHHUSA-N 1 0 238.375 2.236 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000662953365 412353520 /nfs/dbraw/zinc/35/35/20/412353520.db2.gz NEDFNWBISNGICE-NWDGAFQWSA-N 1 0 238.375 2.236 10 30 BEEERO CCn1cc(C2CC[NH+](CCCC#N)CC2)cn1 ZINC000195499751 172158597 /nfs/dbraw/zinc/15/85/97/172158597.db2.gz URNZGTFFZCRWCJ-UHFFFAOYSA-N 1 0 246.358 2.386 10 30 BEEERO C[N@@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000075906578 173023570 /nfs/dbraw/zinc/02/35/70/173023570.db2.gz ABLLEDDJDSKRLM-GFCCVEGCSA-N 1 0 200.285 2.367 10 30 BEEERO COCCN(CCC#N)c1ccc([C@@H](C)[NH3+])cc1 ZINC000071225939 174289028 /nfs/dbraw/zinc/28/90/28/174289028.db2.gz UQHAYNUBCXYDBC-GFCCVEGCSA-N 1 0 247.342 2.073 10 30 BEEERO COc1ccc(C#CC[NH3+])c2ccccc12 ZINC000037471039 175051226 /nfs/dbraw/zinc/05/12/26/175051226.db2.gz DFKYFDDAYIUIJP-UHFFFAOYSA-N 1 0 211.264 2.159 10 30 BEEERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCC#N ZINC000042913403 175812530 /nfs/dbraw/zinc/81/25/30/175812530.db2.gz BTWGGOHTERHHLC-ZWNOBZJWSA-N 1 0 235.306 2.059 10 30 BEEERO C[C@@H]1C[NH+]=C(NCc2ccccc2F)S1 ZINC000035294994 176322627 /nfs/dbraw/zinc/32/26/27/176322627.db2.gz WRQHEBKHOSHASZ-MRVPVSSYSA-N 1 0 224.304 2.407 10 30 BEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1 ZINC000129533103 176460060 /nfs/dbraw/zinc/46/00/60/176460060.db2.gz XLIQDPMUVWJTHJ-GXFFZTMASA-N 1 0 215.300 2.111 10 30 BEEERO C[C@H](CC#N)N(C)[C@@H](C[NH3+])c1ccccc1F ZINC000063085454 176596321 /nfs/dbraw/zinc/59/63/21/176596321.db2.gz FYHYTVRTAAHPKI-MFKMUULPSA-N 1 0 235.306 2.059 10 30 BEEERO C[C@H](CCC[NH3+])Nc1cccc(F)c1C#N ZINC000336674367 176621264 /nfs/dbraw/zinc/62/12/64/176621264.db2.gz UNFHHSKWYSGDHE-SECBINFHSA-N 1 0 221.279 2.237 10 30 BEEERO C[C@H](S)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC000083730148 177025993 /nfs/dbraw/zinc/02/59/93/177025993.db2.gz VFEKTNILLSXDIX-CPCISQLKSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H](S)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC000083730146 177026306 /nfs/dbraw/zinc/02/63/06/177026306.db2.gz VFEKTNILLSXDIX-WRWORJQWSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2cccc(/C(N)=N/O)c2)C1 ZINC000019425661 177100965 /nfs/dbraw/zinc/10/09/65/177100965.db2.gz ULLZXVUKQREHSV-NSHDSACASA-N 1 0 247.342 2.013 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251682672 177276465 /nfs/dbraw/zinc/27/64/65/177276465.db2.gz HXFMUVHCIJRXQU-IINYFYTJSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1C[NH+]=C(NCc2cccs2)S1 ZINC000035295324 177278915 /nfs/dbraw/zinc/27/89/15/177278915.db2.gz YYDJMSLCDTUPKW-ZETCQYMHSA-N 1 0 212.343 2.329 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160235896 323064407 /nfs/dbraw/zinc/06/44/07/323064407.db2.gz OUGZOGRMRQABKF-OLZOCXBDSA-N 1 0 246.354 2.336 10 30 BEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160236035 323064421 /nfs/dbraw/zinc/06/44/21/323064421.db2.gz OUGZOGRMRQABKF-CHWSQXEVSA-N 1 0 246.354 2.336 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000320139646 323551204 /nfs/dbraw/zinc/55/12/04/323551204.db2.gz SAVVPUWPZAQIFP-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000249032840 325633639 /nfs/dbraw/zinc/63/36/39/325633639.db2.gz RPBQNNDCSMOGOH-MQYQWHSLSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@@H](CC#N)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044677018 491114972 /nfs/dbraw/zinc/11/49/72/491114972.db2.gz IQTDDOGIFNKJPD-CYZMBNFOSA-N 1 0 200.285 2.434 10 30 BEEERO C[C@H]1CC[C@]2(CCCN2CCCCC#N)C[NH2+]1 ZINC000757126914 582501419 /nfs/dbraw/zinc/50/14/19/582501419.db2.gz HRAXKEMVDBLFJM-UONOGXRCSA-N 1 0 235.375 2.287 10 30 BEEERO CC(C)(C)NC(=[NH2+])NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263107452 534662439 /nfs/dbraw/zinc/66/24/39/534662439.db2.gz KSNWMCJOARLJRS-GRYCIOLGSA-N 1 0 235.375 2.292 10 30 BEEERO C=C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252947995 534669460 /nfs/dbraw/zinc/66/94/60/534669460.db2.gz NLGJRFCPOZLSBH-TVYUQYBPSA-N 1 0 202.301 2.295 10 30 BEEERO C=CCCC[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000121084621 534707146 /nfs/dbraw/zinc/70/71/46/534707146.db2.gz SHSVZKYWFMUSMH-GFCCVEGCSA-N 1 0 226.364 2.045 10 30 BEEERO C=CCCC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000121091679 534707476 /nfs/dbraw/zinc/70/74/76/534707476.db2.gz FXCXMDWEMCFMLD-UHFFFAOYSA-N 1 0 240.391 2.437 10 30 BEEERO C=CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000308785257 534721936 /nfs/dbraw/zinc/72/19/36/534721936.db2.gz FNFLWWVQVQAUKQ-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO CC1(C)C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000261978296 534901371 /nfs/dbraw/zinc/90/13/71/534901371.db2.gz GWKDBXUXPMDBSY-LLVKDONJSA-N 1 0 223.364 2.412 10 30 BEEERO C=CCCCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401926192 527136602 /nfs/dbraw/zinc/13/66/02/527136602.db2.gz ZDBYLRUBDVNUON-CHWSQXEVSA-N 1 0 211.349 2.436 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092514 534981835 /nfs/dbraw/zinc/98/18/35/534981835.db2.gz FTRWROWSYILIDA-QWHCGFSZSA-N 1 0 236.359 2.427 10 30 BEEERO CC(C)[N@@H+](CCC(C)(C)C#N)C[C@@H](C)O ZINC000120421397 535052480 /nfs/dbraw/zinc/05/24/80/535052480.db2.gz DNHJRLDODDHAEY-LLVKDONJSA-N 1 0 212.337 2.017 10 30 BEEERO CC(C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263268160 535125853 /nfs/dbraw/zinc/12/58/53/535125853.db2.gz OCLNLVYBOANLHY-JTQLQIEISA-N 1 0 209.337 2.022 10 30 BEEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])NCC(C)C ZINC000263192276 535892876 /nfs/dbraw/zinc/89/28/76/535892876.db2.gz VXASDGUNNZSTKN-DGCLKSJQSA-N 1 0 225.380 2.371 10 30 BEEERO COC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000164258036 536740474 /nfs/dbraw/zinc/74/04/74/536740474.db2.gz DNZXOTKNKSLQTP-IKWCTNDRSA-N 1 0 222.332 2.226 10 30 BEEERO Cc1ccoc1CSC[C@@](C)(N)C#N ZINC000757164664 582545941 /nfs/dbraw/zinc/54/59/41/582545941.db2.gz HXQJUGGTYBQCEB-JTQLQIEISA-N 1 0 210.302 2.062 10 30 BEEERO Cc1ccoc1CSCC[C@](C)(N)C#N ZINC000757167564 582548512 /nfs/dbraw/zinc/54/85/12/582548512.db2.gz WWBDOJQSIHVVOD-NSHDSACASA-N 1 0 224.329 2.452 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000043689785 582805754 /nfs/dbraw/zinc/80/57/54/582805754.db2.gz NARSRYHNSAFWMP-GFCCVEGCSA-N 1 0 249.379 2.466 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=C1CCC1 ZINC000121344502 585068334 /nfs/dbraw/zinc/06/83/34/585068334.db2.gz BBDYHODZKSMMFX-CYBMUJFWSA-N 1 0 249.354 2.374 10 30 BEEERO CCNC(=[NH2+])NCC[C@H]1CCC[C@@H](C)C1 ZINC000203548295 589246586 /nfs/dbraw/zinc/24/65/86/589246586.db2.gz ONHHRSAUJDFRNN-GHMZBOCLSA-N 1 0 211.353 2.127 10 30 BEEERO C#CC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121212059 589517549 /nfs/dbraw/zinc/51/75/49/589517549.db2.gz LGNARJBLENGEFE-OLZOCXBDSA-N 1 0 221.344 2.289 10 30 BEEERO C#CC[N@@H+](CCCOCC)C1CCCC1 ZINC000123513682 589739644 /nfs/dbraw/zinc/73/96/44/589739644.db2.gz SDFMEIZWIATPOQ-UHFFFAOYSA-N 1 0 209.333 2.291 10 30 BEEERO C=C(Cl)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000125775352 590188996 /nfs/dbraw/zinc/18/89/96/590188996.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 1 0 230.783 2.401 10 30 BEEERO CCCCCCCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000133658776 591844873 /nfs/dbraw/zinc/84/48/73/591844873.db2.gz NQWMAVOZJVRBLW-ZDUSSCGKSA-N 1 0 240.391 2.463 10 30 BEEERO C=CCCCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300256476 592505703 /nfs/dbraw/zinc/50/57/03/592505703.db2.gz GUEJYXMYBBXAKR-QWHCGFSZSA-N 1 0 239.359 2.474 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000104162333 592602808 /nfs/dbraw/zinc/60/28/08/592602808.db2.gz CBRNQJORSBHORO-CHWSQXEVSA-N 1 0 229.327 2.023 10 30 BEEERO CCCCNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000104162280 592602816 /nfs/dbraw/zinc/60/28/16/592602816.db2.gz IRZHNFIVTZENFA-CHWSQXEVSA-N 1 0 231.343 2.247 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336720771 635254896 /nfs/dbraw/zinc/25/48/96/635254896.db2.gz CZBWKWGLFAHUBG-ZDEQEGDKSA-N 1 0 204.317 2.457 10 30 BEEERO C#CCCCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308364926 631306854 /nfs/dbraw/zinc/30/68/54/631306854.db2.gz KAUKXLJXRQMYEG-STQMWFEESA-N 1 0 221.344 2.337 10 30 BEEERO OCC[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000051814908 631937625 /nfs/dbraw/zinc/93/76/25/631937625.db2.gz BUFUZWLTPUIZOO-UHFFFAOYSA-N 1 0 243.350 2.275 10 30 BEEERO C#CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000309185974 632713721 /nfs/dbraw/zinc/71/37/21/632713721.db2.gz HEYPWEORSMPQSQ-UHFFFAOYSA-N 1 0 217.312 2.027 10 30 BEEERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309728367 633234019 /nfs/dbraw/zinc/23/40/19/633234019.db2.gz DRYODPZOLNXWJW-VOAKCMCISA-N 1 0 222.332 2.083 10 30 BEEERO C#C[C@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000309872199 633885330 /nfs/dbraw/zinc/88/53/30/633885330.db2.gz RDDJJKXYWKZJAM-RYUDHWBXSA-N 1 0 217.312 2.410 10 30 BEEERO C=CCC[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000320285206 636203297 /nfs/dbraw/zinc/20/32/97/636203297.db2.gz OWPAYTSDCHLNST-AWEZNQCLSA-N 1 0 219.328 2.146 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000320451143 636248174 /nfs/dbraw/zinc/24/81/74/636248174.db2.gz CJLWMSIZKVVLIS-PHDIDXHHSA-N 1 0 244.751 2.206 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000320451144 636248245 /nfs/dbraw/zinc/24/82/45/636248245.db2.gz CJLWMSIZKVVLIS-RITPCOANSA-N 1 0 244.751 2.206 10 30 BEEERO C#CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000167724254 636265376 /nfs/dbraw/zinc/26/53/76/636265376.db2.gz HDVFAWOGFVRPPZ-UHFFFAOYSA-N 1 0 233.702 2.101 10 30 BEEERO C#CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000086903114 636891721 /nfs/dbraw/zinc/89/17/21/636891721.db2.gz BRHVDYOHURMISI-GFCCVEGCSA-N 1 0 207.317 2.091 10 30 BEEERO C#CCC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000089174444 636904286 /nfs/dbraw/zinc/90/42/86/636904286.db2.gz VNCJJUDWTCKNBO-UHFFFAOYSA-N 1 0 227.311 2.169 10 30 BEEERO COc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1O ZINC000061891357 641004626 /nfs/dbraw/zinc/00/46/26/641004626.db2.gz WAKUUDGEYHWCPP-JQWIXIFHSA-N 1 0 246.310 2.183 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCC1 ZINC000262485914 641837391 /nfs/dbraw/zinc/83/73/91/641837391.db2.gz WNULOFOQPNGEFS-MWLCHTKSSA-N 1 0 209.337 2.022 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313279667 642496452 /nfs/dbraw/zinc/49/64/52/642496452.db2.gz IAFFPVKBQRYOGH-KGLIPLIRSA-N 1 0 236.359 2.475 10 30 BEEERO C[NH2+][C@@H](C)CNc1nc2ccccc2cc1C#N ZINC000306035081 642718694 /nfs/dbraw/zinc/71/86/94/642718694.db2.gz OOKPTTHNHOADGH-JTQLQIEISA-N 1 0 240.310 2.126 10 30 BEEERO CC(C)C[C@H](C[NH+](C)C)Nc1cccc(C#N)n1 ZINC000081595897 644334798 /nfs/dbraw/zinc/33/47/98/644334798.db2.gz JNFPTJPBAYOFEE-CYBMUJFWSA-N 1 0 246.358 2.341 10 30 BEEERO C#CCC[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000096578218 644821877 /nfs/dbraw/zinc/82/18/77/644821877.db2.gz KLXQABRYQKZLTH-LLVKDONJSA-N 1 0 245.322 2.132 10 30 BEEERO C#CCC[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000096578219 644822578 /nfs/dbraw/zinc/82/25/78/644822578.db2.gz KLXQABRYQKZLTH-NSHDSACASA-N 1 0 245.322 2.132 10 30 BEEERO Cc1ccc([C@@H](C)[NH2+]CCO[C@H](C)C#N)o1 ZINC000304277014 644884555 /nfs/dbraw/zinc/88/45/55/644884555.db2.gz WQFLCVMBAIEOET-GHMZBOCLSA-N 1 0 222.288 2.167 10 30 BEEERO C#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095664 644936652 /nfs/dbraw/zinc/93/66/52/644936652.db2.gz PKBFDDIQFCHMMZ-RBSFLKMASA-N 1 0 235.371 2.415 10 30 BEEERO N#Cc1cc(Cl)ccc1NCC1CC([NH3+])C1 ZINC000715086851 712507430 /nfs/dbraw/zinc/50/74/30/712507430.db2.gz ZCENPFOALDHMTK-UHFFFAOYSA-N 1 0 235.718 2.361 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000716956259 712600052 /nfs/dbraw/zinc/60/00/52/712600052.db2.gz HUBMYYBVVDPYMU-UMSGYPCISA-N 1 0 209.333 2.049 10 30 BEEERO C#CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000717840754 712691280 /nfs/dbraw/zinc/69/12/80/712691280.db2.gz JCYJPHFWVITHQZ-UPJWGTAASA-N 1 0 223.360 2.175 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723604278 711524674 /nfs/dbraw/zinc/52/46/74/711524674.db2.gz BGPRNDPYVKYRCI-KHMAMNHCSA-N 1 0 248.370 2.473 10 30 BEEERO N#Cc1ccc(N2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000723673325 711533298 /nfs/dbraw/zinc/53/32/98/711533298.db2.gz ZQNLLWZUUWFSCK-SNVBAGLBSA-N 1 0 249.745 2.387 10 30 BEEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CC[NH3+] ZINC000723915249 711544928 /nfs/dbraw/zinc/54/49/28/711544928.db2.gz JXWSJBXFAWKUAD-GHMZBOCLSA-N 1 0 247.317 2.118 10 30 BEEERO C#CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000037203049 711581016 /nfs/dbraw/zinc/58/10/16/711581016.db2.gz ZVMSIVPGNXJHIL-UHFFFAOYSA-N 1 0 239.322 2.068 10 30 BEEERO CS[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000122041576 711604052 /nfs/dbraw/zinc/60/40/52/711604052.db2.gz OEOYPNAORGGDRQ-LBPRGKRZSA-N 1 0 219.353 2.379 10 30 BEEERO C#C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(C)(C)C ZINC000702244964 712041419 /nfs/dbraw/zinc/04/14/19/712041419.db2.gz WBMKQGQCESUSQO-XQQFMLRXSA-N 1 0 221.344 2.191 10 30 BEEERO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCCO1 ZINC000710011517 712240145 /nfs/dbraw/zinc/24/01/45/712240145.db2.gz VXAUADRJQGAGSU-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CCCCCCCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378670058 712356873 /nfs/dbraw/zinc/35/68/73/712356873.db2.gz JIMYGCOCNGOKKO-RYUDHWBXSA-N 1 0 216.344 2.328 10 30 BEEERO COCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000714004362 712476858 /nfs/dbraw/zinc/47/68/58/712476858.db2.gz BBVMXZBYFIGQTG-UHFFFAOYSA-N 1 0 248.301 2.212 10 30 BEEERO N#Cc1ccc(NCC2CC([NH3+])C2)cc1Cl ZINC000715086015 712507504 /nfs/dbraw/zinc/50/75/04/712507504.db2.gz NPDRBXAMCBUZBU-UHFFFAOYSA-N 1 0 235.718 2.361 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000716956257 712600072 /nfs/dbraw/zinc/60/00/72/712600072.db2.gz HUBMYYBVVDPYMU-FVCCEPFGSA-N 1 0 209.333 2.049 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000716956258 712600153 /nfs/dbraw/zinc/60/01/53/712600153.db2.gz HUBMYYBVVDPYMU-QNWHQSFQSA-N 1 0 209.333 2.049 10 30 BEEERO C=CC[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000380070721 712684987 /nfs/dbraw/zinc/68/49/87/712684987.db2.gz DEKFSWCHPFMZHZ-WCQYABFASA-N 1 0 205.301 2.274 10 30 BEEERO Cc1cc(C#N)ccc1N1CCC([NH+](C)C)CC1 ZINC000037732954 712753277 /nfs/dbraw/zinc/75/32/77/712753277.db2.gz VEOSTEXBIYOBGZ-UHFFFAOYSA-N 1 0 243.354 2.397 10 30 BEEERO C#CCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000719557587 712809372 /nfs/dbraw/zinc/80/93/72/712809372.db2.gz UKNWWEISTZOZKT-UHFFFAOYSA-N 1 0 220.341 2.135 10 30 BEEERO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cn(C)nn1 ZINC000720550994 712850106 /nfs/dbraw/zinc/85/01/06/712850106.db2.gz ADFVGXRNEZMHEM-LLVKDONJSA-N 1 0 249.362 2.186 10 30 BEEERO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127835093 136211077 /nfs/dbraw/zinc/21/10/77/136211077.db2.gz CPJGTUAPVZQKSJ-VXGBXAGGSA-N 1 0 221.348 2.153 10 30 BEEERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000300944189 349460365 /nfs/dbraw/zinc/46/03/65/349460365.db2.gz DVFHMRDZNWFPRH-NDBYEHHHSA-N 1 0 222.332 2.083 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382482762 398173627 /nfs/dbraw/zinc/17/36/27/398173627.db2.gz XPKFRAQNPXXNBM-RYUDHWBXSA-N 1 0 244.342 2.109 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309356148 136217932 /nfs/dbraw/zinc/21/79/32/136217932.db2.gz NZFWESFFUUVPJY-IJLUTSLNSA-N 1 0 224.348 2.065 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309356149 136217971 /nfs/dbraw/zinc/21/79/71/136217971.db2.gz NZFWESFFUUVPJY-QJPTWQEYSA-N 1 0 224.348 2.065 10 30 BEEERO Cc1cc(NC(=O)CC2CC2)ccc1C#CC[NH3+] ZINC000049731602 178126891 /nfs/dbraw/zinc/12/68/91/178126891.db2.gz DTFCNYYRAMVHMN-UHFFFAOYSA-N 1 0 242.322 2.044 10 30 BEEERO Cc1ccc(C#N)c(NC[C@H]2CCC[NH2+]2)c1 ZINC000053255424 178364170 /nfs/dbraw/zinc/36/41/70/178364170.db2.gz FJAIJIGZQKUTKJ-GFCCVEGCSA-N 1 0 215.300 2.031 10 30 BEEERO C#CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000051074561 346829881 /nfs/dbraw/zinc/82/98/81/346829881.db2.gz UCVFDSUVKLZHRF-JTQLQIEISA-N 1 0 224.101 2.472 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000320828473 342741658 /nfs/dbraw/zinc/74/16/58/342741658.db2.gz JXZULDMFUXVCLC-IUCAKERBSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000320828468 342741740 /nfs/dbraw/zinc/74/17/40/342741740.db2.gz JXZULDMFUXVCLC-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000319949654 342731629 /nfs/dbraw/zinc/73/16/29/342731629.db2.gz BSWVKVCILAGQBC-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1F ZINC000320763149 342739439 /nfs/dbraw/zinc/73/94/39/342739439.db2.gz XLJNGBACHXNWSP-BDAKNGLRSA-N 1 0 221.279 2.235 10 30 BEEERO N#C[C@H]1CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042443904 362000720 /nfs/dbraw/zinc/00/07/20/362000720.db2.gz WTUGAHVROXHXTN-GHMZBOCLSA-N 1 0 210.346 2.118 10 30 BEEERO C#C[C@@H](Cc1ccccc1)[NH2+]CC(C)C ZINC000308924328 342877132 /nfs/dbraw/zinc/87/71/32/342877132.db2.gz CXDSKIIWABINJH-AWEZNQCLSA-N 1 0 201.313 2.477 10 30 BEEERO CC(C)(C)[N+](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000034741868 398343641 /nfs/dbraw/zinc/34/36/41/398343641.db2.gz ROHHDESMYVSIHT-WQLSENKSSA-N 1 0 222.244 2.323 10 30 BEEERO CC[N@@H+]1CCC[C@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275759 346906648 /nfs/dbraw/zinc/90/66/48/346906648.db2.gz MPZGEZCZWVKBIJ-LBPRGKRZSA-N 1 0 244.342 2.158 10 30 BEEERO C#CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000162568783 349752555 /nfs/dbraw/zinc/75/25/55/349752555.db2.gz ONNYVIAUOWQOOL-XQQFMLRXSA-N 1 0 221.344 2.336 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503555 187227103 /nfs/dbraw/zinc/22/71/03/187227103.db2.gz SJVLEYCKJZDZPF-GFCCVEGCSA-N 1 0 235.331 2.209 10 30 BEEERO CC(C)(C)[NH2+]C[C@@H](O)CON=C1CCCCC1 ZINC000027708845 343123492 /nfs/dbraw/zinc/12/34/92/343123492.db2.gz SMKAHGIEJDHHFH-GFCCVEGCSA-N 1 0 242.363 2.072 10 30 BEEERO Cc1nc(N[C@H](C)[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000394454308 259354795 /nfs/dbraw/zinc/35/47/95/259354795.db2.gz QOBGIQNYIHTLTK-NKWVEPMBSA-N 1 0 238.722 2.063 10 30 BEEERO C=CC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204370 187243785 /nfs/dbraw/zinc/24/37/85/187243785.db2.gz BMSRTKDQZLSPDI-JTQLQIEISA-N 1 0 202.257 2.449 10 30 BEEERO ON=C1CC[NH+](Cc2cccs2)CC1 ZINC000019484047 187252830 /nfs/dbraw/zinc/25/28/30/187252830.db2.gz IVDIBVCBAJPZKW-UHFFFAOYSA-N 1 0 210.302 2.174 10 30 BEEERO C=CCC[C@@H]([NH2+]Cc1ccnn1C)C1CC1 ZINC000120115426 136292269 /nfs/dbraw/zinc/29/22/69/136292269.db2.gz MOTGTMLKKHTYNX-CYBMUJFWSA-N 1 0 219.332 2.255 10 30 BEEERO C=CC[C@H]1c2cc(N)ccc2CC[N@H+]1C ZINC000034562986 346935555 /nfs/dbraw/zinc/93/55/55/346935555.db2.gz WQDRWCFGOGHZEM-ZDUSSCGKSA-N 1 0 202.301 2.374 10 30 BEEERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000036158352 187259356 /nfs/dbraw/zinc/25/93/56/187259356.db2.gz QHZQFXIEDCZSLQ-LLVKDONJSA-N 1 0 249.289 2.009 10 30 BEEERO Cc1cc(C#N)ccc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000165478502 343436058 /nfs/dbraw/zinc/43/60/58/343436058.db2.gz PVXZXEBGFRCSDC-OAHLLOKOSA-N 1 0 243.354 2.003 10 30 BEEERO CCC1CCC(C#N)(N2CCC[NH2+]CC2)CC1 ZINC000037940534 187261914 /nfs/dbraw/zinc/26/19/14/187261914.db2.gz BWDDDKUAWZPBLO-UHFFFAOYSA-N 1 0 235.375 2.144 10 30 BEEERO CC(C)N(CCC#N)[C@@H](C[NH3+])c1ccccc1F ZINC000043045632 187267412 /nfs/dbraw/zinc/26/74/12/187267412.db2.gz SJKSVGHCEGCVFV-AWEZNQCLSA-N 1 0 249.333 2.450 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402139226 349867642 /nfs/dbraw/zinc/86/76/42/349867642.db2.gz JMOJWAPKSXDRBR-AVGNSLFASA-N 1 0 222.332 2.085 10 30 BEEERO CC(C)(CCC#N)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000179734049 346995094 /nfs/dbraw/zinc/99/50/94/346995094.db2.gz UVTUICSXGYKAMC-UHFFFAOYSA-N 1 0 249.402 2.486 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1nccc(C)c1C#N ZINC000135209108 343966462 /nfs/dbraw/zinc/96/64/62/343966462.db2.gz SXVZFPZLXDSHIU-NSHDSACASA-N 1 0 232.331 2.191 10 30 BEEERO CC(C)=CC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000135410767 344266075 /nfs/dbraw/zinc/26/60/75/344266075.db2.gz KLTIOVPXXZCTLG-ZDUSSCGKSA-N 1 0 203.285 2.396 10 30 BEEERO CC[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135410696 344266231 /nfs/dbraw/zinc/26/62/31/344266231.db2.gz IOCGRSCTTAPZEF-NSHDSACASA-N 1 0 215.300 2.185 10 30 BEEERO CC(C)([NH3+])C(C)(C)C(=O)C1=COCCC1 ZINC000135415361 344268649 /nfs/dbraw/zinc/26/86/49/344268649.db2.gz ZKTNVMGAXPTKTI-UHFFFAOYSA-N 1 0 211.305 2.013 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCCO1 ZINC000054825177 344457164 /nfs/dbraw/zinc/45/71/64/344457164.db2.gz LQBOHJZSPYTTJS-LOWDOPEQSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135512397 344506067 /nfs/dbraw/zinc/50/60/67/344506067.db2.gz IAQNWSMQZIGGCA-GHMZBOCLSA-N 1 0 215.300 2.184 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000054823799 344457605 /nfs/dbraw/zinc/45/76/05/344457605.db2.gz AZCUAWVWLRNCFD-TZMCWYRMSA-N 1 0 229.327 2.296 10 30 BEEERO CCOCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054824275 344457843 /nfs/dbraw/zinc/45/78/43/344457843.db2.gz IBONAVDRNALSGN-NWDGAFQWSA-N 1 0 210.321 2.085 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000054825563 344471658 /nfs/dbraw/zinc/47/16/58/344471658.db2.gz OWQGWGOGACJMAW-UONOGXRCSA-N 1 0 229.327 2.296 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000135497531 344488575 /nfs/dbraw/zinc/48/85/75/344488575.db2.gz KBSRQOYOLBYTKJ-VHSXEESVSA-N 1 0 236.340 2.013 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCS[C@@H]1C ZINC000220694200 344568669 /nfs/dbraw/zinc/56/86/69/344568669.db2.gz JHUPTHAMOLLNNW-SFYZADRCSA-N 1 0 236.178 2.379 10 30 BEEERO C[C@@H](COCc1ccccc1)[NH2+]CCC#N ZINC000306985017 344648541 /nfs/dbraw/zinc/64/85/41/344648541.db2.gz VVUUNTCIYMTDHD-LBPRGKRZSA-N 1 0 218.300 2.095 10 30 BEEERO CC#CCOc1ccc(C)cc1C[NH2+]CCOC ZINC000071407481 187359503 /nfs/dbraw/zinc/35/95/03/187359503.db2.gz QNRGBSSNSNQWHL-UHFFFAOYSA-N 1 0 247.338 2.133 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000127144618 345159479 /nfs/dbraw/zinc/15/94/79/345159479.db2.gz VCTHPIUWQSCGSY-NEPJUHHUSA-N 1 0 224.348 2.067 10 30 BEEERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000300214670 345338698 /nfs/dbraw/zinc/33/86/98/345338698.db2.gz ULAFTRGBZIMZMX-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO CCC[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)OC ZINC000378813575 345604726 /nfs/dbraw/zinc/60/47/26/345604726.db2.gz IVFFELMEMHXULM-TUAOUCFPSA-N 1 0 210.321 2.083 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(OC)ccc1Br ZINC000163740327 345772111 /nfs/dbraw/zinc/77/21/11/345772111.db2.gz OYVMJVFUPGDADP-SNVBAGLBSA-N 1 0 240.100 2.091 10 30 BEEERO COc1cc(CC#N)ccc1C[NH+]1CCCC1 ZINC000140725301 345856598 /nfs/dbraw/zinc/85/65/98/345856598.db2.gz BXMXHFLFXRHPKK-UHFFFAOYSA-N 1 0 230.311 2.357 10 30 BEEERO C#CC[NH+](CC#C)CCc1c[nH]c2ccccc12 ZINC000034603125 345832137 /nfs/dbraw/zinc/83/21/37/345832137.db2.gz GCPZECKMMYZGME-UHFFFAOYSA-N 1 0 236.318 2.279 10 30 BEEERO C[C@H]([NH3+])C#Cc1sccc1Br ZINC000167006310 346179037 /nfs/dbraw/zinc/17/90/37/346179037.db2.gz JBBLMAGYWULDHU-LURJTMIESA-N 1 0 230.130 2.209 10 30 BEEERO C#CC[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000062352182 346242679 /nfs/dbraw/zinc/24/26/79/346242679.db2.gz LFZOYNGJIYTCMH-MRVPVSSYSA-N 1 0 211.667 2.372 10 30 BEEERO Cc1cccc(C2(C#N)CC[NH2+]CC2)c1 ZINC000071508052 179051127 /nfs/dbraw/zinc/05/11/27/179051127.db2.gz VNBLTNNBFFOTJR-UHFFFAOYSA-N 1 0 200.285 2.140 10 30 BEEERO Cc1cccc(C[N@H+](CC/C(N)=N/O)C2CC2)c1 ZINC000042531533 179070883 /nfs/dbraw/zinc/07/08/83/179070883.db2.gz VFJDQAIJTCMBRM-UHFFFAOYSA-N 1 0 247.342 2.096 10 30 BEEERO Cc1nc(C#N)sc1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669379559 537979619 /nfs/dbraw/zinc/97/96/19/537979619.db2.gz FIRNMFVCDVHBFE-VXNVDRBHSA-N 1 0 221.329 2.179 10 30 BEEERO N/C(=N/O)[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000203551806 346637107 /nfs/dbraw/zinc/63/71/07/346637107.db2.gz COONNGOHJADQGL-LBPRGKRZSA-N 1 0 239.363 2.168 10 30 BEEERO C[NH+](C)CCOc1ccc2c(c1)CCC/C2=N\O ZINC000169228313 346756772 /nfs/dbraw/zinc/75/67/72/346756772.db2.gz CWTJHYMRHZAFLR-CCEZHUSRSA-N 1 0 248.326 2.142 10 30 BEEERO C#C[C@@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169240373 346757318 /nfs/dbraw/zinc/75/73/18/346757318.db2.gz VIWCTSWVLVVCQT-SNVBAGLBSA-N 1 0 242.091 2.482 10 30 BEEERO C=CC[N@@H+]1CCCC[C@H]1[C@H]1CCCC1=O ZINC000250521454 362808700 /nfs/dbraw/zinc/80/87/00/362808700.db2.gz LHFCXAMBWGWJRL-NEPJUHHUSA-N 1 0 207.317 2.396 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000300698664 347378465 /nfs/dbraw/zinc/37/84/65/347378465.db2.gz LNOPFKHBCDIRHN-RFGFWPKPSA-N 1 0 236.359 2.209 10 30 BEEERO CC(C)(C)OCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000590959119 347594828 /nfs/dbraw/zinc/59/48/28/347594828.db2.gz GELJPAXXQFVXEG-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO Cc1ccccc1C[NH+]1CCN([C@@H](C)C#N)CC1 ZINC000049831480 179275234 /nfs/dbraw/zinc/27/52/34/179275234.db2.gz WLBUDBASFAWXQT-AWEZNQCLSA-N 1 0 243.354 2.025 10 30 BEEERO Cc1ccccc1N[C@@]1(C#N)CN2CCC1CC2 ZINC000037938079 179306741 /nfs/dbraw/zinc/30/67/41/179306741.db2.gz MORPGIVCPPBSNI-HNNXBMFYSA-N 1 0 241.338 2.395 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@H]1CCOC1 ZINC000253071234 347932600 /nfs/dbraw/zinc/93/26/00/347932600.db2.gz NAIQZMJLGPNMQP-ZDEQEGDKSA-N 1 0 222.332 2.083 10 30 BEEERO C#C[C@H]([NH2+]CCCC(=O)OCC)c1ccccc1 ZINC000196872954 348046872 /nfs/dbraw/zinc/04/68/72/348046872.db2.gz OYBOTSPGHGGSNX-AWEZNQCLSA-N 1 0 245.322 2.294 10 30 BEEERO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCCC[C@H]1C#N ZINC000595695613 348305947 /nfs/dbraw/zinc/30/59/47/348305947.db2.gz WZUIZFFQEHNENI-MJBXVCDLSA-N 1 0 235.375 2.143 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595690061 348315870 /nfs/dbraw/zinc/31/58/70/348315870.db2.gz POAAZBBEKIEKOZ-HBNTYKKESA-N 1 0 244.285 2.083 10 30 BEEERO C[NH2+]C[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000596033656 348427910 /nfs/dbraw/zinc/42/79/10/348427910.db2.gz UTILVADKFFDIDY-QMMMGPOBSA-N 1 0 223.707 2.231 10 30 BEEERO N#Cc1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000051815461 350136412 /nfs/dbraw/zinc/13/64/12/350136412.db2.gz BYEDMVXDRSHPCF-AWEZNQCLSA-N 1 0 230.311 2.074 10 30 BEEERO C[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCO1 ZINC000083638131 350263787 /nfs/dbraw/zinc/26/37/87/350263787.db2.gz HBGOFEXLBJXPJR-WDEREUQCSA-N 1 0 210.321 2.083 10 30 BEEERO CC(C)[N@@H+]1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616597519 350654280 /nfs/dbraw/zinc/65/42/80/350654280.db2.gz KGUYISZWKAEZAM-AWEZNQCLSA-N 1 0 244.338 2.382 10 30 BEEERO N#Cc1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616616492 350854570 /nfs/dbraw/zinc/85/45/70/350854570.db2.gz QOVNHNMCVBLCSH-AWEZNQCLSA-N 1 0 229.327 2.044 10 30 BEEERO CNC(=[NH2+])Nc1cc(Cl)cc(Cl)c1 ZINC000052069463 350901690 /nfs/dbraw/zinc/90/16/90/350901690.db2.gz WFUATBSGFBNNIF-UHFFFAOYSA-N 1 0 218.087 2.159 10 30 BEEERO CC(C)NC(=NN)c1csc(Cl)c1 ZINC000306748674 350934778 /nfs/dbraw/zinc/93/47/78/350934778.db2.gz HEILSRGSQFCZFF-UHFFFAOYSA-N 1 0 217.725 2.020 10 30 BEEERO C=C(C[NH2+]CC)CN(C)Cc1ccccc1 ZINC000231591192 350875343 /nfs/dbraw/zinc/87/53/43/350875343.db2.gz ORPWGZGNAWHSRH-UHFFFAOYSA-N 1 0 218.344 2.284 10 30 BEEERO C=CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC1=O ZINC000250521458 350882004 /nfs/dbraw/zinc/88/20/04/350882004.db2.gz LHFCXAMBWGWJRL-VXGBXAGGSA-N 1 0 207.317 2.396 10 30 BEEERO C=CCC[C@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000129052122 350975794 /nfs/dbraw/zinc/97/57/94/350975794.db2.gz LUMGMYOYMPXLNP-LBPRGKRZSA-N 1 0 239.340 2.056 10 30 BEEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)cc1 ZINC000222496639 350976199 /nfs/dbraw/zinc/97/61/99/350976199.db2.gz FAOZARAICQINDH-UHFFFAOYSA-N 1 0 229.327 2.360 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000397974582 350995858 /nfs/dbraw/zinc/99/58/58/350995858.db2.gz OHIBDLQJRGQWAR-RHYQMDGZSA-N 1 0 224.373 2.410 10 30 BEEERO N#Cc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616627301 351107984 /nfs/dbraw/zinc/10/79/84/351107984.db2.gz HKMGBONUZCPNKE-CQSZACIVSA-N 1 0 243.354 2.086 10 30 BEEERO C=CCNc1cc(N)[nH+]cc1Br ZINC000306819159 351085125 /nfs/dbraw/zinc/08/51/25/351085125.db2.gz CJGJDJBFVHSJMQ-UHFFFAOYSA-N 1 0 228.093 2.024 10 30 BEEERO N#Cc1cccc([C@@H]2CCCCCN2CC[NH3+])c1 ZINC000616625690 351094882 /nfs/dbraw/zinc/09/48/82/351094882.db2.gz TYODTZWPJNVIIT-HNNXBMFYSA-N 1 0 243.354 2.434 10 30 BEEERO N#Cc1cccc([C@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616627503 351095481 /nfs/dbraw/zinc/09/54/81/351095481.db2.gz IQPRYCUJSJHOGZ-HNNXBMFYSA-N 1 0 243.354 2.086 10 30 BEEERO N#Cc1ccccc1[C@H]1CCC[N@@H+](CCO)CC1 ZINC000616629000 351099204 /nfs/dbraw/zinc/09/92/04/351099204.db2.gz SAWAKCSYQBFWBL-ZDUSSCGKSA-N 1 0 244.338 2.120 10 30 BEEERO C[C@H]1CC[N@H+](CC2(C=O)CCCC2)[C@H]1C ZINC000306857889 351183668 /nfs/dbraw/zinc/18/36/68/351183668.db2.gz YVJFDENKGUJGFL-RYUDHWBXSA-N 1 0 209.333 2.476 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCC[N@@H+](CCO)C1 ZINC000616654829 351191283 /nfs/dbraw/zinc/19/12/83/351191283.db2.gz NXBTWOTUCYZBGB-CQSZACIVSA-N 1 0 244.338 2.120 10 30 BEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(F)cc1C#N ZINC000111830635 191133922 /nfs/dbraw/zinc/13/39/22/191133922.db2.gz DZTJNGITXIBSQE-LBPRGKRZSA-N 1 0 235.306 2.483 10 30 BEEERO C=CC[C@H](C[NH3+])COCc1ccccc1 ZINC000307114166 351485755 /nfs/dbraw/zinc/48/57/55/351485755.db2.gz SPGJLNAQKGNLSS-CYBMUJFWSA-N 1 0 205.301 2.354 10 30 BEEERO CC(C)[C@H]([NH3+])CNc1c(F)cc(C#N)cc1F ZINC000133691754 351490875 /nfs/dbraw/zinc/49/08/75/351490875.db2.gz CUEGWDVFHIWLHC-LLVKDONJSA-N 1 0 239.269 2.232 10 30 BEEERO CC(C)=CC(=O)[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000307309862 351952846 /nfs/dbraw/zinc/95/28/46/351952846.db2.gz XYADGAGTZSIKOT-TUAOUCFPSA-N 1 0 207.317 2.300 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000411317638 191176515 /nfs/dbraw/zinc/17/65/15/191176515.db2.gz CRNASODWNZYGDC-MGPQQGTHSA-N 1 0 236.359 2.306 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000411317639 191177308 /nfs/dbraw/zinc/17/73/08/191177308.db2.gz CRNASODWNZYGDC-RDBSUJKOSA-N 1 0 236.359 2.306 10 30 BEEERO Clc1sccc1C#C[C@@H]1CC[NH2+]C1 ZINC000404891953 352618915 /nfs/dbraw/zinc/61/89/15/352618915.db2.gz XJSWVKBWZNNWMW-MRVPVSSYSA-N 1 0 211.717 2.363 10 30 BEEERO CC#CC[C@H]([NH3+])c1nscc1Br ZINC000404821247 352576989 /nfs/dbraw/zinc/57/69/89/352576989.db2.gz SGNACBQIFCRYDC-ZETCQYMHSA-N 1 0 245.145 2.319 10 30 BEEERO C#CCN1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042859336 188043250 /nfs/dbraw/zinc/04/32/50/188043250.db2.gz PMMYONOQKVJSPL-GJZGRUSLSA-N 1 0 248.414 2.500 10 30 BEEERO C#CC[C@H]([NH3+])c1ccccc1Br ZINC000051075161 353173473 /nfs/dbraw/zinc/17/34/73/353173473.db2.gz AMCKVTPHURCSRN-JTQLQIEISA-N 1 0 224.101 2.472 10 30 BEEERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846866 188281324 /nfs/dbraw/zinc/28/13/24/188281324.db2.gz JANDXRXRAHOOLT-LLVKDONJSA-N 1 0 245.326 2.225 10 30 BEEERO CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846865 188281411 /nfs/dbraw/zinc/28/14/11/188281411.db2.gz JANDXRXRAHOOLT-NSHDSACASA-N 1 0 245.326 2.225 10 30 BEEERO CC(C)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000019846859 188281903 /nfs/dbraw/zinc/28/19/03/188281903.db2.gz XMCLTJVPSOMFLX-UHFFFAOYSA-N 1 0 245.326 2.227 10 30 BEEERO CSc1ccc([C@@H](C#N)NCC[NH+](C)C)cc1 ZINC000037940659 188289343 /nfs/dbraw/zinc/28/93/43/188289343.db2.gz JMLHEVRVOGVUND-CYBMUJFWSA-N 1 0 249.383 2.124 10 30 BEEERO N#CCCN(C(=[NH2+])NC1CCCCC1)C1CC1 ZINC000052046127 188299648 /nfs/dbraw/zinc/29/96/48/188299648.db2.gz AZGWWHGHIVSFCP-UHFFFAOYSA-N 1 0 234.347 2.222 10 30 BEEERO Cn1ccnc1CC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054828406 188300607 /nfs/dbraw/zinc/30/06/07/188300607.db2.gz BGHFQWMGCHXFTA-OLZOCXBDSA-N 1 0 246.358 2.025 10 30 BEEERO C=C(Cl)CN(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748191 188319313 /nfs/dbraw/zinc/31/93/13/188319313.db2.gz QMWGZFNXJHPIFZ-FOSCPWQOSA-N 1 0 228.767 2.344 10 30 BEEERO C=C(Br)COc1ccccc1C[NH3+] ZINC000037698939 188325707 /nfs/dbraw/zinc/32/57/07/188325707.db2.gz SGQPOAATRBMGCK-UHFFFAOYSA-N 1 0 242.116 2.433 10 30 BEEERO C=CCN(C(=O)C1([NH3+])CCCCC1)C(C)C ZINC000037817737 188326451 /nfs/dbraw/zinc/32/64/51/188326451.db2.gz LTYRNDIXFDLSAU-UHFFFAOYSA-N 1 0 224.348 2.071 10 30 BEEERO N#Cc1cccc(CSCCC[NH3+])c1 ZINC000058250393 188359031 /nfs/dbraw/zinc/35/90/31/188359031.db2.gz MSANSZYYKXBMDS-UHFFFAOYSA-N 1 0 206.314 2.140 10 30 BEEERO C#CC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134846292 353517030 /nfs/dbraw/zinc/51/70/30/353517030.db2.gz POPRGGBFFWMPFO-AWEZNQCLSA-N 1 0 245.297 2.496 10 30 BEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000184284142 353636118 /nfs/dbraw/zinc/63/61/18/353636118.db2.gz JUKYJAVBWDFJRE-OCCSQVGLSA-N 1 0 249.354 2.325 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1 ZINC000320625095 353733304 /nfs/dbraw/zinc/73/33/04/353733304.db2.gz AMKGXVSOYFXDMQ-ZJUUUORDSA-N 1 0 203.289 2.096 10 30 BEEERO Fc1cccc2c1[C@H](CCS)[NH2+]CC2 ZINC000083730189 181007399 /nfs/dbraw/zinc/00/73/99/181007399.db2.gz JWSVQULDQCHDAT-JTQLQIEISA-N 1 0 211.305 2.332 10 30 BEEERO N#CCCN([C@@H](C[NH3+])c1ccccc1)C1CC1 ZINC000042899492 181037061 /nfs/dbraw/zinc/03/70/61/181037061.db2.gz ZAVYWCQYTKIMEB-AWEZNQCLSA-N 1 0 229.327 2.064 10 30 BEEERO N#CCc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061981814 181048462 /nfs/dbraw/zinc/04/84/62/181048462.db2.gz OEFGYWGHFSYQGR-CQSZACIVSA-N 1 0 241.338 2.401 10 30 BEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C1(CO)CCCC1 ZINC000054829851 181058767 /nfs/dbraw/zinc/05/87/67/181058767.db2.gz RRLCEWRXMDBXEC-STQMWFEESA-N 1 0 236.359 2.354 10 30 BEEERO N#Cc1c(Cl)cccc1NC1CC([NH3+])C1 ZINC000052905757 181073251 /nfs/dbraw/zinc/07/32/51/181073251.db2.gz BVNPSTNXNHFZKF-UHFFFAOYSA-N 1 0 221.691 2.113 10 30 BEEERO N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750556 181074570 /nfs/dbraw/zinc/07/45/70/181074570.db2.gz KENINKZWFOINPV-FGWVZKOKSA-N 1 0 245.301 2.156 10 30 BEEERO N#Cc1c(F)cccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793557 181076210 /nfs/dbraw/zinc/07/62/10/181076210.db2.gz AHHMGLUOEMPDFM-NSHDSACASA-N 1 0 247.317 2.499 10 30 BEEERO N#Cc1c(F)cccc1Nc1ccc(N)cn1 ZINC000036157267 181077723 /nfs/dbraw/zinc/07/77/23/181077723.db2.gz XVKXXHPHTLQDCB-UHFFFAOYSA-N 1 0 228.230 2.418 10 30 BEEERO N#Cc1cc(F)ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335583427 181088211 /nfs/dbraw/zinc/08/82/11/181088211.db2.gz YOSOKQVIWFMIFM-CABZTGNLSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1cc(N)ccc1NCC[NH+]1CCCCC1 ZINC000049574739 181088987 /nfs/dbraw/zinc/08/89/87/181088987.db2.gz SVEUKURYTXYPNZ-UHFFFAOYSA-N 1 0 244.342 2.038 10 30 BEEERO N#Cc1cc(N[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000043326180 181091903 /nfs/dbraw/zinc/09/19/03/181091903.db2.gz HFSRJZDAKOROMB-NSHDSACASA-N 1 0 235.718 2.376 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042863384 166389349 /nfs/dbraw/zinc/38/93/49/166389349.db2.gz XZFGYWCGULWENS-FRRDWIJNSA-N 1 0 238.375 2.093 10 30 BEEERO N#Cc1ccc(COC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000051815908 181110594 /nfs/dbraw/zinc/11/05/94/181110594.db2.gz UGPXCPMNAARXIM-ZDUSSCGKSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000135500540 181110221 /nfs/dbraw/zinc/11/02/21/181110221.db2.gz QLINTDYOOZURDF-NWDGAFQWSA-N 1 0 236.340 2.013 10 30 BEEERO N#Cc1ccc(Cl)cc1OC1CC[NH2+]CC1 ZINC000062786563 181111682 /nfs/dbraw/zinc/11/16/82/181111682.db2.gz CUKQPOUWCTWJJN-UHFFFAOYSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]23)c(F)c1 ZINC000049569075 181126466 /nfs/dbraw/zinc/12/64/66/181126466.db2.gz HUVQIUXSVMUCFS-UONOGXRCSA-N 1 0 245.301 2.346 10 30 BEEERO N#Cc1ccc(OCCC[NH3+])cc1C(F)(F)F ZINC000051870517 181127101 /nfs/dbraw/zinc/12/71/01/181127101.db2.gz QPSRETYQPUFBBO-UHFFFAOYSA-N 1 0 244.216 2.305 10 30 BEEERO N#Cc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000051918763 181127817 /nfs/dbraw/zinc/12/78/17/181127817.db2.gz PUEJKAUPMFTWMX-CYBMUJFWSA-N 1 0 230.311 2.327 10 30 BEEERO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334795840 354549991 /nfs/dbraw/zinc/54/99/91/354549991.db2.gz JJZNXMJBHTXHIW-VXGBXAGGSA-N 1 0 207.317 2.063 10 30 BEEERO NC1=CC=CC(=[NH2+])/C1=N\OC1CCCCC1 ZINC000003101658 181206367 /nfs/dbraw/zinc/20/63/67/181206367.db2.gz AGPMOHHWSLWTRA-NIXCXGAVSA-N 1 0 219.288 2.124 10 30 BEEERO N#Cc1ccc(Oc2ccc(CC[NH3+])cc2)nc1 ZINC000087881871 356174102 /nfs/dbraw/zinc/17/41/02/356174102.db2.gz ASLFWPOMNHTAEC-UHFFFAOYSA-N 1 0 239.278 2.247 10 30 BEEERO CCCCOCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826129 535313316 /nfs/dbraw/zinc/31/33/16/535313316.db2.gz HRSFBRWCLBQCTI-VXGBXAGGSA-N 1 0 210.321 2.085 10 30 BEEERO C[C@H]1C[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)C[C@@H](C)C1 ZINC000675059236 538484064 /nfs/dbraw/zinc/48/40/64/538484064.db2.gz DXUAYTGIXYMFND-XHJNMGKDSA-N 1 0 223.360 2.483 10 30 BEEERO C=CCCC[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000675051408 538474644 /nfs/dbraw/zinc/47/46/44/538474644.db2.gz RYECSAROZGEQGG-SNVBAGLBSA-N 1 0 228.336 2.195 10 30 BEEERO O=C[C@@H]1C[NH2+]C[C@H](C2CCCCCC2)C1 ZINC000675060113 538485795 /nfs/dbraw/zinc/48/57/95/538485795.db2.gz SDPGNJNDCDLFMP-WCQYABFASA-N 1 0 209.333 2.381 10 30 BEEERO C[C@@H]1CCC[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675060095 538485965 /nfs/dbraw/zinc/48/59/65/538485965.db2.gz RZUFXHCRLDSXLN-MROQNXINSA-N 1 0 209.333 2.237 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035139661 134161524 /nfs/dbraw/zinc/16/15/24/134161524.db2.gz GCKPNSKLOOFPJO-ZJUUUORDSA-N 1 0 238.356 2.089 10 30 BEEERO CCCCCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000192137374 357823871 /nfs/dbraw/zinc/82/38/71/357823871.db2.gz NSLIQUOYBFSZTG-KGLIPLIRSA-N 1 0 243.391 2.165 10 30 BEEERO N#Cc1cccc(C[C@@H]2CCC[NH2+]C2)c1 ZINC000035571878 358001423 /nfs/dbraw/zinc/00/14/23/358001423.db2.gz DIBUVASRBBVEBU-ZDUSSCGKSA-N 1 0 200.285 2.100 10 30 BEEERO C=CC[C@H](C[NH3+])Cc1c(OC)cccc1OC ZINC000584596080 358253630 /nfs/dbraw/zinc/25/36/30/358253630.db2.gz YOIFEFHNNIIGNP-NSHDSACASA-N 1 0 235.327 2.397 10 30 BEEERO C=C[C@H]1C[C@@H]([NH3+])C[C@@H]1OCc1ccccc1 ZINC000584601487 358258898 /nfs/dbraw/zinc/25/88/98/358258898.db2.gz WSQZYTREGQEQQU-MJBXVCDLSA-N 1 0 217.312 2.495 10 30 BEEERO C/N=C1\CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584605274 358264564 /nfs/dbraw/zinc/26/45/64/358264564.db2.gz ICTYEVZKPMCCKA-FQZGENGWSA-N 1 0 214.312 2.450 10 30 BEEERO C=CC[C@H]([NH3+])c1ccccc1OCOC ZINC000584610695 358273886 /nfs/dbraw/zinc/27/38/86/358273886.db2.gz NMUPGBPJZJFALA-NSHDSACASA-N 1 0 207.273 2.245 10 30 BEEERO C#CC(C)(C)[N@H+](CC)CCO[C@H]1CCCCO1 ZINC000584631243 358282828 /nfs/dbraw/zinc/28/28/28/358282828.db2.gz HNOBOCKLZGMFGH-ZDUSSCGKSA-N 1 0 239.359 2.263 10 30 BEEERO C=CC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134144002 358782000 /nfs/dbraw/zinc/78/20/00/358782000.db2.gz XVIHOWVAGVMDGX-SMDDNHRTSA-N 1 0 217.312 2.496 10 30 BEEERO CSCC[C@@H]([NH3+])C#Cc1ccccc1 ZINC000306162541 358972309 /nfs/dbraw/zinc/97/23/09/358972309.db2.gz GYNWXKBSCDZYOV-LBPRGKRZSA-N 1 0 205.326 2.119 10 30 BEEERO CSCC[C@H]([NH3+])C#Cc1ccccc1 ZINC000306162540 358972828 /nfs/dbraw/zinc/97/28/28/358972828.db2.gz GYNWXKBSCDZYOV-GFCCVEGCSA-N 1 0 205.326 2.119 10 30 BEEERO C=CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246996483 359181581 /nfs/dbraw/zinc/18/15/81/359181581.db2.gz PSFOZDGVPUNSSQ-STQMWFEESA-N 1 0 236.359 2.038 10 30 BEEERO C#C[C@H]([NH3+])c1cc(C)ccc1Br ZINC000130328402 359522042 /nfs/dbraw/zinc/52/20/42/359522042.db2.gz ULMWCWTYQSUEBJ-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000306520505 360344220 /nfs/dbraw/zinc/34/42/20/360344220.db2.gz DTPUGLFBDFBAAL-SECBINFHSA-N 1 0 240.100 2.091 10 30 BEEERO C=C([C@H]([NH3+])[C@@]1(C)CCCO1)C(F)(F)F ZINC000306561736 360438886 /nfs/dbraw/zinc/43/88/86/360438886.db2.gz NRYPPJJBIBKELX-JGVFFNPUSA-N 1 0 209.211 2.001 10 30 BEEERO CC#CC[NH2+][C@H]1CCC[C@@H]1C(F)(F)F ZINC000306561652 360438973 /nfs/dbraw/zinc/43/89/73/360438973.db2.gz NIRVRHPQSLIAMB-IUCAKERBSA-N 1 0 205.223 2.330 10 30 BEEERO CS[C@@H]1CCC[N@H+](C[C@H](C)C#N)CC1 ZINC000300806321 360513037 /nfs/dbraw/zinc/51/30/37/360513037.db2.gz GKNUJSOHALABFX-GHMZBOCLSA-N 1 0 212.362 2.364 10 30 BEEERO COCC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCC1 ZINC000336659259 361325385 /nfs/dbraw/zinc/32/53/85/361325385.db2.gz IZBYUXNWIGCQSG-NEPJUHHUSA-N 1 0 222.332 2.085 10 30 BEEERO [NH3+]CC#Cc1ccccc1COCC(F)(F)F ZINC000049610351 181346559 /nfs/dbraw/zinc/34/65/59/181346559.db2.gz VPYAPCYLWDMXON-UHFFFAOYSA-N 1 0 243.228 2.076 10 30 BEEERO C#CCOc1c(C[NH2+]CCC)cccc1OC ZINC000037709645 363895727 /nfs/dbraw/zinc/89/57/27/363895727.db2.gz SCVPVTKQVYRUEV-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C[C@H](C[NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000309013710 541383967 /nfs/dbraw/zinc/38/39/67/541383967.db2.gz YKZNTMSXHSOASG-MRVPVSSYSA-N 1 0 223.707 2.218 10 30 BEEERO [NH3+]CCON=C(c1ccccc1)c1ccccc1 ZINC000039151156 368407939 /nfs/dbraw/zinc/40/79/39/368407939.db2.gz KJZUJTIVXVFQBY-UHFFFAOYSA-N 1 0 240.306 2.414 10 30 BEEERO Cc1cc(C)c(C#N)c(NCCC2(C[NH3+])CC2)n1 ZINC000404665994 369433341 /nfs/dbraw/zinc/43/33/41/369433341.db2.gz ZTEWPZHYZZYNRS-UHFFFAOYSA-N 1 0 244.342 2.111 10 30 BEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000600956649 369577166 /nfs/dbraw/zinc/57/71/66/369577166.db2.gz FEPHRKVJEAVSGX-QPUJVOFHSA-N 1 0 235.718 2.374 10 30 BEEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000600959584 369576255 /nfs/dbraw/zinc/57/62/55/369576255.db2.gz ZSXVYDHQZTYHTF-ZDUSSCGKSA-N 1 0 229.327 2.266 10 30 BEEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)c(F)c1 ZINC000600958604 369576619 /nfs/dbraw/zinc/57/66/19/369576619.db2.gz ITGVUZRBUUVKBS-GFCCVEGCSA-N 1 0 247.317 2.405 10 30 BEEERO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1C[NH3+] ZINC000600887716 369571669 /nfs/dbraw/zinc/57/16/69/369571669.db2.gz RYZPECVKGKOPPF-ZJUUUORDSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000600962876 369579769 /nfs/dbraw/zinc/57/97/69/369579769.db2.gz OKBYJBMKBLMFTC-PSASIEDQSA-N 1 0 235.718 2.138 10 30 BEEERO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1C[NH3+] ZINC000600960900 369581652 /nfs/dbraw/zinc/58/16/52/369581652.db2.gz JZWXKTWJGQIHOG-KOLCDFICSA-N 1 0 249.745 2.243 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000309534740 370224691 /nfs/dbraw/zinc/22/46/91/370224691.db2.gz DWISNOANPZSJDN-YNEHKIRRSA-N 1 0 222.332 2.227 10 30 BEEERO CN(Cc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1 ZINC000226465979 371524331 /nfs/dbraw/zinc/52/43/31/371524331.db2.gz QQQONNCKOBJGIB-OAHLLOKOSA-N 1 0 243.354 2.132 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000227473609 371871341 /nfs/dbraw/zinc/87/13/41/371871341.db2.gz KVHOSBDSEBBZMG-GJZGRUSLSA-N 1 0 244.338 2.351 10 30 BEEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)cc1 ZINC000133599810 372078754 /nfs/dbraw/zinc/07/87/54/372078754.db2.gz KTBRDJAOPUVSCA-AWEZNQCLSA-N 1 0 231.343 2.368 10 30 BEEERO CCC[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049617741 169081196 /nfs/dbraw/zinc/08/11/96/169081196.db2.gz VUYNECKYQWVCJV-UHFFFAOYSA-N 1 0 249.329 2.401 10 30 BEEERO CCC[NH2+]CCOCc1ccc(C#N)cc1F ZINC000051844808 169260484 /nfs/dbraw/zinc/26/04/84/169260484.db2.gz AIPKFFQMJHSHTA-UHFFFAOYSA-N 1 0 236.290 2.214 10 30 BEEERO CCCN[C@@](C)(C#N)CN(C)CC1CCCC1 ZINC000104350955 169283592 /nfs/dbraw/zinc/28/35/92/169283592.db2.gz AVNHMRBXTBLULC-AWEZNQCLSA-N 1 0 237.391 2.390 10 30 BEEERO CCCN[C@H](C#N)CCn1ccnc1C(C)C ZINC000062439815 169283905 /nfs/dbraw/zinc/28/39/05/169283905.db2.gz NNIDMYVIFZCCMV-LBPRGKRZSA-N 1 0 234.347 2.288 10 30 BEEERO O=C1CCCC2=C1C[C@@H]1CCC[NH2+][C@H]1C2 ZINC000091306026 384117279 /nfs/dbraw/zinc/11/72/79/384117279.db2.gz NMGHGESTNHOUEE-JQWIXIFHSA-N 1 0 205.301 2.198 10 30 BEEERO C#CCCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261814324 533045055 /nfs/dbraw/zinc/04/50/55/533045055.db2.gz SYKVUPFAOMMWBJ-KBPBESRZSA-N 1 0 247.386 2.097 10 30 BEEERO CC#CCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000155588465 384734148 /nfs/dbraw/zinc/73/41/48/384734148.db2.gz WSEISGNXMDCQKL-UHFFFAOYSA-N 1 0 245.370 2.315 10 30 BEEERO N#C[C@@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000308852261 385217164 /nfs/dbraw/zinc/21/71/64/385217164.db2.gz DRNITKJJEAUMFP-RKDXNWHRSA-N 1 0 214.259 2.456 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300234934 385302678 /nfs/dbraw/zinc/30/26/78/385302678.db2.gz YCLPGHRMNNPPHF-VWYCJHECSA-N 1 0 210.346 2.021 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000309448417 385588609 /nfs/dbraw/zinc/58/86/09/385588609.db2.gz LXAYDMDGRQWWNJ-FDYHWXHSSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(C#N)cc1 ZINC000396648278 385723869 /nfs/dbraw/zinc/72/38/69/385723869.db2.gz LBPBXLSMQCXEBU-ZOWXZIJZSA-N 1 0 243.354 2.349 10 30 BEEERO C=CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000102222041 385905737 /nfs/dbraw/zinc/90/57/37/385905737.db2.gz UFEVJFYACVIHQN-CQSZACIVSA-N 1 0 246.354 2.372 10 30 BEEERO C=C[C@H]([NH3+])c1ncsc1Br ZINC000575569345 386115837 /nfs/dbraw/zinc/11/58/37/386115837.db2.gz CQLXHLBFTJRQHO-BYPYZUCNSA-N 1 0 219.107 2.091 10 30 BEEERO C=C(C)C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000122574653 386512967 /nfs/dbraw/zinc/51/29/67/386512967.db2.gz RZEFSRNOLUKQHO-UHFFFAOYSA-N 1 0 249.310 2.132 10 30 BEEERO C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCO1 ZINC000051814133 386870745 /nfs/dbraw/zinc/87/07/45/386870745.db2.gz FZBSFMUWOQDZIO-HIFRSBDPSA-N 1 0 229.323 2.195 10 30 BEEERO C#C[C@@H]([NH3+])c1ccsc1Br ZINC000575464882 387060889 /nfs/dbraw/zinc/06/08/89/387060889.db2.gz OHNYXCAVVXNFOE-ZCFIWIBFSA-N 1 0 216.103 2.144 10 30 BEEERO N#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228490051 387087976 /nfs/dbraw/zinc/08/79/76/387087976.db2.gz ZJUWVRCBYBEUGY-MJBXVCDLSA-N 1 0 236.359 2.306 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1C=CCC1 ZINC000575503721 387360337 /nfs/dbraw/zinc/36/03/37/387360337.db2.gz YYRKIOQLXOWWPY-MRVPVSSYSA-N 1 0 202.095 2.203 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(C)ccc1Br ZINC000130328160 387532108 /nfs/dbraw/zinc/53/21/08/387532108.db2.gz ULMWCWTYQSUEBJ-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458341 177898476 /nfs/dbraw/zinc/89/84/76/177898476.db2.gz DDDXTKUEMGAFDC-LBPRGKRZSA-N 1 0 249.358 2.118 10 30 BEEERO C=C(C)C[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245200000 387943126 /nfs/dbraw/zinc/94/31/26/387943126.db2.gz GPJYEGPIWXHKEN-AGIUHOORSA-N 1 0 237.343 2.369 10 30 BEEERO C=CCCCCC[N@H+]1CC[C@H](CCO)C1 ZINC000236511222 388379927 /nfs/dbraw/zinc/37/99/27/388379927.db2.gz PDJFNENGJSVYQO-CYBMUJFWSA-N 1 0 211.349 2.437 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749515 388618307 /nfs/dbraw/zinc/61/83/07/388618307.db2.gz UWROLDCFWPDYFB-GDLCADMTSA-N 1 0 230.311 2.122 10 30 BEEERO Cc1ccnc(N[C@@H](C)CCCC[NH3+])c1C#N ZINC000310437453 388669053 /nfs/dbraw/zinc/66/90/53/388669053.db2.gz RPLPXHHGVIJBSH-NSHDSACASA-N 1 0 232.331 2.191 10 30 BEEERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335161402 388827941 /nfs/dbraw/zinc/82/79/41/388827941.db2.gz DUKXIRMTAKYJJP-PRHODGIISA-N 1 0 204.248 2.195 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](C)[NH+]1C ZINC000135265555 132240092 /nfs/dbraw/zinc/24/00/92/132240092.db2.gz YVULRJRVLNGSKX-RYUDHWBXSA-N 1 0 229.327 2.087 10 30 BEEERO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000062791338 132388427 /nfs/dbraw/zinc/38/84/27/132388427.db2.gz BRCDDSPYUWYOPH-JTQLQIEISA-N 1 0 235.718 2.139 10 30 BEEERO C[C@H]1CSCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336259314 134141636 /nfs/dbraw/zinc/14/16/36/134141636.db2.gz UWXCGOVVKJKASL-LLVKDONJSA-N 1 0 224.373 2.365 10 30 BEEERO C#CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959139 134161630 /nfs/dbraw/zinc/16/16/30/134161630.db2.gz IXURGPGYPHAKLH-LBPRGKRZSA-N 1 0 218.256 2.269 10 30 BEEERO C#CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000371205557 134227860 /nfs/dbraw/zinc/22/78/60/134227860.db2.gz AGHKPIRICCWYBY-LLVKDONJSA-N 1 0 220.341 2.346 10 30 BEEERO C=CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175015926 134284530 /nfs/dbraw/zinc/28/45/30/134284530.db2.gz PSFOZDGVPUNSSQ-QWHCGFSZSA-N 1 0 236.359 2.038 10 30 BEEERO C[C@H](C#N)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181746492 134339096 /nfs/dbraw/zinc/33/90/96/134339096.db2.gz HIDHBPCVCDENGA-HUUCEWRRSA-N 1 0 249.402 2.486 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000182014570 134341302 /nfs/dbraw/zinc/34/13/02/134341302.db2.gz ZHEBURBYVTUVBB-MCIONIFRSA-N 1 0 233.355 2.337 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000309253960 134386810 /nfs/dbraw/zinc/38/68/10/134386810.db2.gz RMCHSAOHABKQEV-STQMWFEESA-N 1 0 222.332 2.085 10 30 BEEERO C=CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000309528025 134445213 /nfs/dbraw/zinc/44/52/13/134445213.db2.gz BGJBZIMVHYJZIL-JSGCOSHPSA-N 1 0 217.312 2.058 10 30 BEEERO C=CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128061725 134611259 /nfs/dbraw/zinc/61/12/59/134611259.db2.gz OZEOBJFUUAHGFL-NEPJUHHUSA-N 1 0 205.305 2.142 10 30 BEEERO CC#CCC[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248398138 135005038 /nfs/dbraw/zinc/00/50/38/135005038.db2.gz SUCFPDAEIUGUTE-IHRRRGAJSA-N 1 0 249.354 2.206 10 30 BEEERO CCCCCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000070662771 135007304 /nfs/dbraw/zinc/00/73/04/135007304.db2.gz LXVBMCMXVFSUKQ-LLVKDONJSA-N 1 0 227.352 2.168 10 30 BEEERO C[C@H](C#N)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248477724 135013850 /nfs/dbraw/zinc/01/38/50/135013850.db2.gz YXWOUSUMSMTHPY-RRFJBIMHSA-N 1 0 249.402 2.485 10 30 BEEERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000251380234 135071179 /nfs/dbraw/zinc/07/11/79/135071179.db2.gz ZBMNHGFFQXKJTL-CRWXNKLISA-N 1 0 236.359 2.472 10 30 BEEERO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000252493178 135090929 /nfs/dbraw/zinc/09/09/29/135090929.db2.gz JCYFIRXICQNHPI-QWHCGFSZSA-N 1 0 237.391 2.198 10 30 BEEERO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090270 135120180 /nfs/dbraw/zinc/12/01/80/135120180.db2.gz HXAJXWSGNPOTHH-BFHYXJOUSA-N 1 0 221.344 2.025 10 30 BEEERO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095992 135121060 /nfs/dbraw/zinc/12/10/60/135121060.db2.gz PTDVUQXRRAGMCW-MCIONIFRSA-N 1 0 221.344 2.025 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253097602 135121332 /nfs/dbraw/zinc/12/13/32/135121332.db2.gz RUULJQABLFHPDD-RBSFLKMASA-N 1 0 235.371 2.415 10 30 BEEERO N#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253104286 135122430 /nfs/dbraw/zinc/12/24/30/135122430.db2.gz ZJUWVRCBYBEUGY-MGPQQGTHSA-N 1 0 236.359 2.306 10 30 BEEERO CC1(C)CN(Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000261553750 135192672 /nfs/dbraw/zinc/19/26/72/135192672.db2.gz ANPHQLGEXANYAT-AWEZNQCLSA-N 1 0 243.354 2.117 10 30 BEEERO CC[C@]1(C)CCN(C(N[C@@H]2C[C@@H]2C)=[NH+]C)C1 ZINC000261718094 135247361 /nfs/dbraw/zinc/24/73/61/135247361.db2.gz IBTFVCPTYPJHFM-DMDPSCGWSA-N 1 0 223.364 2.092 10 30 BEEERO CC[C@]1(C)CCN(C(N[C@@H]2CC2(C)C)=[NH+]C)C1 ZINC000261726466 135248086 /nfs/dbraw/zinc/24/80/86/135248086.db2.gz IZHJROZIZMLEAW-BXUZGUMPSA-N 1 0 237.391 2.482 10 30 BEEERO CCc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)cc1 ZINC000261979200 135268686 /nfs/dbraw/zinc/26/86/86/135268686.db2.gz HIOHUBMTOCGNOE-CABZTGNLSA-N 1 0 217.316 2.384 10 30 BEEERO COCc1ccccc1NC(=[NH2+])NC1CCC1 ZINC000262425703 135296456 /nfs/dbraw/zinc/29/64/56/135296456.db2.gz ROWHHDLDYDKCLI-UHFFFAOYSA-N 1 0 233.315 2.112 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(NCc1ccco1)=[NH+]C ZINC000262360258 135297131 /nfs/dbraw/zinc/29/71/31/135297131.db2.gz GQSYRFMQSDCPSU-ZYHUDNBSSA-N 1 0 235.331 2.133 10 30 BEEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])N(C)C1CC1 ZINC000263187269 135337707 /nfs/dbraw/zinc/33/77/07/135337707.db2.gz VAWCVZJBBVAANM-AAEUAGOBSA-N 1 0 223.364 2.220 10 30 BEEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])N(C)C1CC1 ZINC000263187272 135337845 /nfs/dbraw/zinc/33/78/45/135337845.db2.gz VAWCVZJBBVAANM-YPMHNXCESA-N 1 0 223.364 2.220 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000134923453 135543981 /nfs/dbraw/zinc/54/39/81/135543981.db2.gz LMSOBJJEWOQSTR-YNEHKIRRSA-N 1 0 211.349 2.482 10 30 BEEERO CCN1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492523 398003590 /nfs/dbraw/zinc/00/35/90/398003590.db2.gz IGKFIBMHGZUXKM-LBPRGKRZSA-N 1 0 249.383 2.194 10 30 BEEERO CC#CC[C@H]([NH3+])c1occc1Br ZINC000575509717 397970422 /nfs/dbraw/zinc/97/04/22/397970422.db2.gz ZUUJFZLWYOGKTP-QMMMGPOBSA-N 1 0 228.089 2.455 10 30 BEEERO C#CC[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037184911 166191121 /nfs/dbraw/zinc/19/11/21/166191121.db2.gz BDDPYNGHASADON-NSHDSACASA-N 1 0 202.301 2.291 10 30 BEEERO C#CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019875637 166192376 /nfs/dbraw/zinc/19/23/76/166192376.db2.gz GUJSMWVMZHZCQM-MNOVXSKESA-N 1 0 215.296 2.472 10 30 BEEERO C#CC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000019875612 166192452 /nfs/dbraw/zinc/19/24/52/166192452.db2.gz DMVCZUSFENZUJL-LLVKDONJSA-N 1 0 231.295 2.132 10 30 BEEERO C#CCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517173 166197693 /nfs/dbraw/zinc/19/76/93/166197693.db2.gz OQGQAXXZHHISNC-UHFFFAOYSA-N 1 0 248.282 2.105 10 30 BEEERO C=CCCOCCOc1cccc(C[NH2+]C)c1 ZINC000052599502 166270637 /nfs/dbraw/zinc/27/06/37/166270637.db2.gz RGFFYKDANCOSQV-UHFFFAOYSA-N 1 0 235.327 2.378 10 30 BEEERO C=CCN(C(=O)CC[NH2+]C(C)C)C1CCCC1 ZINC000037817693 166309912 /nfs/dbraw/zinc/30/99/12/166309912.db2.gz BPKGOXMJHAJTNT-UHFFFAOYSA-N 1 0 238.375 2.332 10 30 BEEERO C=CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)C1CCCC1 ZINC000037817665 166310479 /nfs/dbraw/zinc/31/04/79/166310479.db2.gz UWIWCFCYQZDFJT-AAEUAGOBSA-N 1 0 238.375 2.317 10 30 BEEERO C=CCN(CC=C)Cc1cc(C[NH2+]C)oc1C ZINC000052376711 166334273 /nfs/dbraw/zinc/33/42/73/166334273.db2.gz CPDTXAXRYOQJND-UHFFFAOYSA-N 1 0 234.343 2.481 10 30 BEEERO C=CCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702764 166359611 /nfs/dbraw/zinc/35/96/11/166359611.db2.gz OOIXDXTWVCEUDI-QWHCGFSZSA-N 1 0 210.365 2.127 10 30 BEEERO C=CC[N@H+]1C[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000013826919 166362107 /nfs/dbraw/zinc/36/21/07/166362107.db2.gz XQGZKOCXXMZQLM-VXGBXAGGSA-N 1 0 215.296 2.292 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000042579779 166388283 /nfs/dbraw/zinc/38/82/83/166388283.db2.gz FNPUPGSPSJBIDP-AVGNSLFASA-N 1 0 238.375 2.236 10 30 BEEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccc(C)cc1C ZINC000076631553 166390926 /nfs/dbraw/zinc/39/09/26/166390926.db2.gz BZMHZKTUNZPATK-CQSZACIVSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040768938 166396821 /nfs/dbraw/zinc/39/68/21/166396821.db2.gz ZTCYBUMCPSXTKC-PBWFPOADSA-N 1 0 222.376 2.271 10 30 BEEERO CC[NH+](CC)CCN[C@@]1(C#N)CCCC[C@@H]1C ZINC000037940929 169781425 /nfs/dbraw/zinc/78/14/25/169781425.db2.gz VKHWKFHJQDQIIS-UONOGXRCSA-N 1 0 237.391 2.390 10 30 BEEERO CC(C)N[C@H](C#N)CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000062438848 167136290 /nfs/dbraw/zinc/13/62/90/167136290.db2.gz QJSSUQWBFNIFHG-MCIONIFRSA-N 1 0 237.391 2.387 10 30 BEEERO CC(C)[C@@H](C)[NH2+]Cc1cccnc1C#N ZINC000061657275 167384041 /nfs/dbraw/zinc/38/40/41/167384041.db2.gz HIDRAXNZTBSJEQ-SNVBAGLBSA-N 1 0 203.289 2.087 10 30 BEEERO CC[NH+](CC)Cc1ccccc1C#CCCO ZINC000049615645 169791445 /nfs/dbraw/zinc/79/14/45/169791445.db2.gz YPQBPPGGVRINOM-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCN/C(Cc1ccc(F)cc1)=[NH+]\CC ZINC000029411742 167861575 /nfs/dbraw/zinc/86/15/75/167861575.db2.gz DZINKNDRQJEJIX-UHFFFAOYSA-N 1 0 208.280 2.396 10 30 BEEERO CC1CCC([N@H+](C)C[C@]2(C=O)CCOC2)CC1 ZINC000051179631 168160425 /nfs/dbraw/zinc/16/04/25/168160425.db2.gz LYZVIIALCJDCGB-RUXDESIVSA-N 1 0 239.359 2.103 10 30 BEEERO CC#CCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000185035279 411399766 /nfs/dbraw/zinc/39/97/66/411399766.db2.gz ORPGHBINVHDVTL-LLVKDONJSA-N 1 0 225.332 2.062 10 30 BEEERO CC[NH2+]CCCn1c2ccccc2nc1CC#N ZINC000104341131 170113206 /nfs/dbraw/zinc/11/32/06/170113206.db2.gz HZHRTNCDIUXYDX-UHFFFAOYSA-N 1 0 242.326 2.102 10 30 BEEERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000054590380 170121244 /nfs/dbraw/zinc/12/12/44/170121244.db2.gz KHNWSOBRHQHWPN-STQMWFEESA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(C#N)c1 ZINC000054590382 170123655 /nfs/dbraw/zinc/12/36/55/170123655.db2.gz KHNWSOBRHQHWPN-OLZOCXBDSA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+]Cc1cnn(-c2cccc(C#N)c2)c1C ZINC000042355881 170130009 /nfs/dbraw/zinc/13/00/09/170130009.db2.gz SOYNAPUQJSOYFH-UHFFFAOYSA-N 1 0 240.310 2.162 10 30 BEEERO CC[C@@H]([NH3+])CNc1nc(C)c(C#N)cc1Cl ZINC000309229222 170865526 /nfs/dbraw/zinc/86/55/26/170865526.db2.gz IBVPNQFHSSXBCG-SECBINFHSA-N 1 0 238.722 2.064 10 30 BEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C=O)(CC)CC ZINC000051179446 171109361 /nfs/dbraw/zinc/10/93/61/171109361.db2.gz HCEFHCRVOBLJJF-QWHCGFSZSA-N 1 0 241.375 2.491 10 30 BEEERO CC[C@H](C)OCc1ccc(C#CC[NH3+])cc1F ZINC000049611110 171355610 /nfs/dbraw/zinc/35/56/10/171355610.db2.gz OZDGQAIVHKZMDQ-NSHDSACASA-N 1 0 235.302 2.451 10 30 BEEERO CC[C@H](C)OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611098 171355706 /nfs/dbraw/zinc/35/57/06/171355706.db2.gz OTAHNROWXSGMCT-ZDUSSCGKSA-N 1 0 247.338 2.191 10 30 BEEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000036158331 171396401 /nfs/dbraw/zinc/39/64/01/171396401.db2.gz IUUYGLYPVAZPNP-UFBFGSQYSA-N 1 0 249.289 2.009 10 30 BEEERO CC[C@H]([NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000104205991 171485833 /nfs/dbraw/zinc/48/58/33/171485833.db2.gz XZJPNRBANBVPBI-NSHDSACASA-N 1 0 240.310 2.256 10 30 BEEERO C=CCC1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCC1 ZINC000662889558 412337347 /nfs/dbraw/zinc/33/73/47/412337347.db2.gz XTSQGCGEWYFSHB-RYUDHWBXSA-N 1 0 236.359 2.119 10 30 BEEERO C=CCCC(C)(C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662953072 412351922 /nfs/dbraw/zinc/35/19/22/412351922.db2.gz ISHKUGUIZHTHFZ-GFCCVEGCSA-N 1 0 238.375 2.380 10 30 BEEERO C[N@@H+](Cc1ccc(C#CCCO)cc1)CC1CC1 ZINC000049613531 172844310 /nfs/dbraw/zinc/84/43/10/172844310.db2.gz IKKBSJQNJDBCMC-UHFFFAOYSA-N 1 0 243.350 2.262 10 30 BEEERO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827713 173006027 /nfs/dbraw/zinc/00/60/27/173006027.db2.gz JQPVNIONPGNLOW-MGPQQGTHSA-N 1 0 235.375 2.143 10 30 BEEERO C[N@@H+]1CCN([C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000104138446 173092260 /nfs/dbraw/zinc/09/22/60/173092260.db2.gz WEZMETUCPFZJGE-CHWSQXEVSA-N 1 0 235.375 2.095 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000061985149 173125728 /nfs/dbraw/zinc/12/57/28/173125728.db2.gz GPSIWENQZLHUPE-LLVKDONJSA-N 1 0 235.718 2.328 10 30 BEEERO COc1ccc(CCC[NH2+]CCS)cc1 ZINC000204954411 175089930 /nfs/dbraw/zinc/08/99/30/175089930.db2.gz VECGHJGUIZGASJ-UHFFFAOYSA-N 1 0 225.357 2.147 10 30 BEEERO COc1ccccc1NC1(C#N)CC[NH+](C)CC1 ZINC000037938740 175336854 /nfs/dbraw/zinc/33/68/54/175336854.db2.gz ORVFQLGCVSTXPA-UHFFFAOYSA-N 1 0 245.326 2.095 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000311030554 175666064 /nfs/dbraw/zinc/66/60/64/175666064.db2.gz DWHWXDGATAGIRP-VIFPVBQESA-N 1 0 248.286 2.006 10 30 BEEERO C[C@@H]1/C(=N\O)CC[N@H+]1Cc1ccccc1 ZINC000100153964 176041639 /nfs/dbraw/zinc/04/16/39/176041639.db2.gz QYXRREXPAUULFK-JBEXSADBSA-N 1 0 204.273 2.111 10 30 in-vitro BEEERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCC/C(N)=N/O ZINC000042607869 176086782 /nfs/dbraw/zinc/08/67/82/176086782.db2.gz ZXZSVHAIGOSCFL-VXGBXAGGSA-N 1 0 241.379 2.414 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251682677 176319164 /nfs/dbraw/zinc/31/91/64/176319164.db2.gz HXFMUVHCIJRXQU-QMTHXVAHSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc(F)cc1C#N ZINC000309189959 176620699 /nfs/dbraw/zinc/62/06/99/176620699.db2.gz BBFWJSYZLHBIEX-SECBINFHSA-N 1 0 221.279 2.237 10 30 BEEERO C[C@H]1CC(C)(C)C[C@@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019267338 177063619 /nfs/dbraw/zinc/06/36/19/177063619.db2.gz QEZKTNYIDLEWEC-JSGCOSHPSA-N 1 0 235.375 2.000 10 30 BEEERO C[C@H]1CC(C)(C)C[C@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940361 177063803 /nfs/dbraw/zinc/06/38/03/177063803.db2.gz JTCPKCFSUXWDQT-DZGCQCFKSA-N 1 0 249.402 2.390 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049615250 177110263 /nfs/dbraw/zinc/11/02/63/177110263.db2.gz KWDCKYCIWPPYAD-ZDUSSCGKSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615191 177111115 /nfs/dbraw/zinc/11/11/15/177111115.db2.gz BXOAGKBKLDDFHQ-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@H]1C[NH+]=C(NCc2cccc(F)c2)S1 ZINC000035295220 177279079 /nfs/dbraw/zinc/27/90/79/177279079.db2.gz REBPUZOHKVSFRZ-QMMMGPOBSA-N 1 0 224.304 2.407 10 30 BEEERO Cc1c(C)n([C@H](C)CC[NH+](C)C)c(N)c1C#N ZINC000049559803 177555589 /nfs/dbraw/zinc/55/55/89/177555589.db2.gz SWULAUOQWFFVIC-SECBINFHSA-N 1 0 234.347 2.072 10 30 BEEERO Cc1cc(N[C@H](C[NH3+])C2CCCC2)cc(C#N)n1 ZINC000308241185 229422743 /nfs/dbraw/zinc/42/27/43/229422743.db2.gz OWUMJMROWSPTGI-CQSZACIVSA-N 1 0 244.342 2.191 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(F)cc1C#N ZINC000320716525 267166369 /nfs/dbraw/zinc/16/63/69/267166369.db2.gz QQAYPYYAQYWNJC-DTWKUNHWSA-N 1 0 221.279 2.235 10 30 BEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000399234716 267222416 /nfs/dbraw/zinc/22/24/16/267222416.db2.gz HAHSMIKQMDUFFT-GXFFZTMASA-N 1 0 248.301 2.043 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000320139643 323550868 /nfs/dbraw/zinc/55/08/68/323550868.db2.gz SAVVPUWPZAQIFP-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO Cc1cn(-c2ccc(C#N)cc2F)cn1 ZINC000116229828 324185445 /nfs/dbraw/zinc/18/54/45/324185445.db2.gz JTBHDLBJJJQQHK-UHFFFAOYSA-N 1 0 201.204 2.192 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000408464184 487555578 /nfs/dbraw/zinc/55/55/78/487555578.db2.gz FUVSRTKMIMBAMU-IHRRRGAJSA-N 1 0 236.359 2.209 10 30 BEEERO COC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000381450111 487507643 /nfs/dbraw/zinc/50/76/43/487507643.db2.gz HDHAORWXIQXGGT-LLVKDONJSA-N 1 0 237.730 2.316 10 30 BEEERO CCCO/[NH+]=C1\CCc2c1cccc2N ZINC000584645250 490182761 /nfs/dbraw/zinc/18/27/61/490182761.db2.gz CUSFKFZTQGVLSG-WYMLVPIESA-N 1 0 204.273 2.346 10 30 BEEERO Cc1ccoc1CS[C@H](C)[C@H](N)C#N ZINC000757163148 582545612 /nfs/dbraw/zinc/54/56/12/582545612.db2.gz CLIBKIUMPFIQHZ-RKDXNWHRSA-N 1 0 210.302 2.061 10 30 BEEERO Cc1ccoc1CS[C@@H](C)[C@H](N)C#N ZINC000757163141 582545616 /nfs/dbraw/zinc/54/56/16/582545616.db2.gz CLIBKIUMPFIQHZ-DTWKUNHWSA-N 1 0 210.302 2.061 10 30 BEEERO C=CC[C@H](CC)[NH2+]Cc1cnn(C)c1C ZINC000281204607 534377894 /nfs/dbraw/zinc/37/78/94/534377894.db2.gz BZLGZKTUOCEWPN-LBPRGKRZSA-N 1 0 207.321 2.173 10 30 BEEERO C=CCCC[N@@H+](C)Cn1cc(Cl)cn1 ZINC000119743199 582803344 /nfs/dbraw/zinc/80/33/44/582803344.db2.gz ZVJAUVVPJSPNPB-UHFFFAOYSA-N 1 0 213.712 2.392 10 30 BEEERO C=C[C@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000119368222 534670040 /nfs/dbraw/zinc/67/00/40/534670040.db2.gz CJKSRWVIWCOBEI-GOEBONIOSA-N 1 0 244.382 2.468 10 30 BEEERO C=CCCC[N@@H+](C)CCC(=O)N1CCCCC1 ZINC000121156325 534706701 /nfs/dbraw/zinc/70/67/01/534706701.db2.gz ZMEAPBXYTOGHCO-UHFFFAOYSA-N 1 0 238.375 2.287 10 30 BEEERO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000121629567 534815971 /nfs/dbraw/zinc/81/59/71/534815971.db2.gz FPJFFIFZRDJURU-CHWSQXEVSA-N 1 0 246.354 2.370 10 30 BEEERO CC[C@]1(C(C)C)C[C@H]1NC1=[NH+]CCCN1C ZINC000263072319 535892221 /nfs/dbraw/zinc/89/22/21/535892221.db2.gz GWRLIXJAEGURRS-DGCLKSJQSA-N 1 0 223.364 2.092 10 30 BEEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])NC1CCC1 ZINC000263083107 535892346 /nfs/dbraw/zinc/89/23/46/535892346.db2.gz HYBJEWKNOALEKW-DGCLKSJQSA-N 1 0 223.364 2.268 10 30 BEEERO CCCCCCC[NH2+]Cc1nccn1C ZINC000105931813 588231512 /nfs/dbraw/zinc/23/15/12/588231512.db2.gz HAWSWFRRCPTETJ-UHFFFAOYSA-N 1 0 209.337 2.480 10 30 BEEERO C[C@H]1CCC[C@@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000203547695 589246984 /nfs/dbraw/zinc/24/69/84/589246984.db2.gz RKOBXVOPGUWLPK-QWRGUYRKSA-N 1 0 223.364 2.270 10 30 BEEERO C=CCCC[N@@H+](C)CN1C[C@H](CC)CC1=O ZINC000119328858 589271521 /nfs/dbraw/zinc/27/15/21/589271521.db2.gz GBCLUHPKWOMLQY-GFCCVEGCSA-N 1 0 224.348 2.100 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCC1 ZINC000119405346 589281706 /nfs/dbraw/zinc/28/17/06/589281706.db2.gz LGGHAVDNAOUHTK-GFCCVEGCSA-N 1 0 237.343 2.063 10 30 BEEERO C#CCCCCNC(=[NH2+])NC1CCCCC1 ZINC000129161803 591267249 /nfs/dbraw/zinc/26/72/49/591267249.db2.gz GRFUGISYBDLNQM-UHFFFAOYSA-N 1 0 221.348 2.027 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000104162326 592602560 /nfs/dbraw/zinc/60/25/60/592602560.db2.gz WDWRGDMHVPPEBF-UONOGXRCSA-N 1 0 243.354 2.247 10 30 BEEERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C12CCC2 ZINC000308341531 631296978 /nfs/dbraw/zinc/29/69/78/631296978.db2.gz BZICMZYFEQCYPD-ZDEQEGDKSA-N 1 0 234.343 2.226 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCCOC1 ZINC000051814208 631937701 /nfs/dbraw/zinc/93/77/01/631937701.db2.gz BEEBGAJUDVRFPP-HNNXBMFYSA-N 1 0 229.323 2.054 10 30 BEEERO CC[N@@H+]1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC000051814059 631942140 /nfs/dbraw/zinc/94/21/40/631942140.db2.gz AVNZGWOLNUZOAB-MRXNPFEDSA-N 1 0 242.366 2.112 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000236498609 632952616 /nfs/dbraw/zinc/95/26/16/632952616.db2.gz YHKFHFILSHUCTP-CHWSQXEVSA-N 1 0 224.348 2.211 10 30 BEEERO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1O ZINC000061891354 641004177 /nfs/dbraw/zinc/00/41/77/641004177.db2.gz WAKUUDGEYHWCPP-ZYHUDNBSSA-N 1 0 246.310 2.183 10 30 BEEERO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1O ZINC000061891355 641005039 /nfs/dbraw/zinc/00/50/39/641005039.db2.gz WAKUUDGEYHWCPP-PWSUYJOCSA-N 1 0 246.310 2.183 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000230686574 641087837 /nfs/dbraw/zinc/08/78/37/641087837.db2.gz XILBLNQEEDONRP-SKDRFNHKSA-N 1 0 234.274 2.313 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)cc1 ZINC000063169546 641143383 /nfs/dbraw/zinc/14/33/83/641143383.db2.gz FSYPZPZHUNWPKI-CQSZACIVSA-N 1 0 229.327 2.137 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313279671 642498064 /nfs/dbraw/zinc/49/80/64/642498064.db2.gz IAFFPVKBQRYOGH-ZIAGYGMSSA-N 1 0 236.359 2.475 10 30 BEEERO C=C(Cl)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000175332565 642676053 /nfs/dbraw/zinc/67/60/53/642676053.db2.gz XBUMTZWHIGBGRE-LLVKDONJSA-N 1 0 216.756 2.155 10 30 BEEERO C#CCC[NH2+]Cc1cccc(OCC)c1 ZINC000069625454 642886576 /nfs/dbraw/zinc/88/65/76/642886576.db2.gz PZKUYDRYUKULJO-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO C#CCC[NH2+]Cc1ccccc1OCC ZINC000069767467 642903479 /nfs/dbraw/zinc/90/34/79/642903479.db2.gz BSPOMFJLYOEQRD-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OCC=C)cc1 ZINC000069768343 642904039 /nfs/dbraw/zinc/90/40/39/642904039.db2.gz FGGPITZWMGOSLU-UHFFFAOYSA-N 1 0 215.296 2.364 10 30 BEEERO CC[NH2+]CCNc1nc2ccccc2cc1C#N ZINC000071386089 643139052 /nfs/dbraw/zinc/13/90/52/643139052.db2.gz AGESLEPSDGLTEA-UHFFFAOYSA-N 1 0 240.310 2.128 10 30 BEEERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000049948792 643564718 /nfs/dbraw/zinc/56/47/18/643564718.db2.gz VUUQYURXEGOKEB-UONOGXRCSA-N 1 0 230.311 2.215 10 30 BEEERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000049948795 643564952 /nfs/dbraw/zinc/56/49/52/643564952.db2.gz VUUQYURXEGOKEB-KGLIPLIRSA-N 1 0 230.311 2.215 10 30 BEEERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000050373703 643691184 /nfs/dbraw/zinc/69/11/84/643691184.db2.gz HUTAUTMNMQLHAP-KGLIPLIRSA-N 1 0 248.301 2.354 10 30 BEEERO C[C@H]1C[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092277611 644653201 /nfs/dbraw/zinc/65/32/01/644653201.db2.gz UIVARMQNFKXDHP-ONGXEEELSA-N 1 0 209.337 2.022 10 30 BEEERO C=C(C)COCCNC(=[NH2+])NC1CCCCC1 ZINC000125635155 645781657 /nfs/dbraw/zinc/78/16/57/645781657.db2.gz YGMXNGYTQXZFET-UHFFFAOYSA-N 1 0 239.363 2.026 10 30 BEEERO C=CCC1([NH2+]Cc2nc(C)cc(=O)[nH]2)CCCC1 ZINC000700480925 711994490 /nfs/dbraw/zinc/99/44/90/711994490.db2.gz VVWLTTJTDGOBQL-UHFFFAOYSA-N 1 0 247.342 2.469 10 30 BEEERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1C#N ZINC000701880074 712031308 /nfs/dbraw/zinc/03/13/08/712031308.db2.gz KRUZDZDIQRKJIN-HUUCEWRRSA-N 1 0 244.338 2.260 10 30 BEEERO C#C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(C)(C)C ZINC000702244954 712041485 /nfs/dbraw/zinc/04/14/85/712041485.db2.gz WBMKQGQCESUSQO-AVGNSLFASA-N 1 0 221.344 2.191 10 30 BEEERO COC1CC(C[NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000705490188 712131999 /nfs/dbraw/zinc/13/19/99/712131999.db2.gz PCUTYSKNEQUWQP-MVKMKZAISA-N 1 0 222.332 2.083 10 30 BEEERO CCCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706721016 712153435 /nfs/dbraw/zinc/15/34/35/712153435.db2.gz HXUVGIGWJRZLAL-IHRRRGAJSA-N 1 0 243.391 2.475 10 30 BEEERO CCCCCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708856560 712201016 /nfs/dbraw/zinc/20/10/16/712201016.db2.gz UUOGCYDYJAABCM-STQMWFEESA-N 1 0 240.391 2.400 10 30 BEEERO CN(c1cc(C#N)ccn1)C1(C[NH3+])CCCCC1 ZINC000713299022 712458810 /nfs/dbraw/zinc/45/88/10/712458810.db2.gz RYTLPXRXYQIARB-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO CC#CC[C@H](CO)[NH2+][C@H]1CCc2ccccc21 ZINC000717832194 712682853 /nfs/dbraw/zinc/68/28/53/712682853.db2.gz WDTGXCOJBPDUTR-HIFRSBDPSA-N 1 0 229.323 2.038 10 30 BEEERO CN(CCC#N)CCSC(F)(F)F ZINC000123450119 712693804 /nfs/dbraw/zinc/69/38/04/712693804.db2.gz PPQRGXYKRASVDD-UHFFFAOYSA-N 1 0 212.240 2.085 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250808045 712834568 /nfs/dbraw/zinc/83/45/68/712834568.db2.gz JGGFDLRRNFQCFV-IHRRRGAJSA-N 1 0 230.311 2.002 10 30 BEEERO C[NH2+]CCN(c1ccc(F)cc1C#N)C(C)C ZINC000720790926 712866114 /nfs/dbraw/zinc/86/61/14/712866114.db2.gz JYLOIMUZNQHUSL-UHFFFAOYSA-N 1 0 235.306 2.132 10 30 BEEERO CC1(C)CN(c2ccc(Cl)cc2C#N)C[C@@H]1[NH3+] ZINC000720824677 712867693 /nfs/dbraw/zinc/86/76/93/712867693.db2.gz HDEJIGLFCBPMRQ-LBPRGKRZSA-N 1 0 249.745 2.385 10 30 BEEERO C=CCOc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000042544988 964827897 /nfs/dbraw/zinc/82/78/97/964827897.db2.gz SMMIPQCOSNXELZ-AWEZNQCLSA-N 1 0 246.354 2.045 10 30 BEEERO C=CC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037185038 1170932526 /nfs/dbraw/zinc/93/25/26/1170932526.db2.gz RINDEMQZIAMGDI-UHFFFAOYSA-N 1 0 217.272 2.254 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]CCc1ccco1 ZINC000051814211 1171920166 /nfs/dbraw/zinc/92/01/66/1171920166.db2.gz RQHQXKSBIJFYKU-UHFFFAOYSA-N 1 0 225.291 2.463 10 30 BEEERO CCC(C=O)(CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763305 168311329 /nfs/dbraw/zinc/31/13/29/168311329.db2.gz FJBQIGTTWRSGFW-CYBMUJFWSA-N 1 0 241.375 2.229 10 30 BEEERO C=C(C(=O)C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000685960366 538907874 /nfs/dbraw/zinc/90/78/74/538907874.db2.gz GRCLUWMSCKWHET-UHFFFAOYSA-N 1 0 243.228 2.464 10 30 BEEERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000308850084 136216787 /nfs/dbraw/zinc/21/67/87/136216787.db2.gz NWUUNVJQKZNWSV-IJLUTSLNSA-N 1 0 210.321 2.082 10 30 BEEERO Cc1ccc(C#N)c(N[C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000063214330 178365990 /nfs/dbraw/zinc/36/59/90/178365990.db2.gz ZSQNLYXGRIQXBU-STQMWFEESA-N 1 0 244.342 2.334 10 30 BEEERO C#CC[C@@H]([NH3+])c1ccccc1Br ZINC000051075162 346834133 /nfs/dbraw/zinc/83/41/33/346834133.db2.gz AMCKVTPHURCSRN-SNVBAGLBSA-N 1 0 224.101 2.472 10 30 BEEERO N#Cc1ccc(-c2c[nH+]ccc2N)s1 ZINC000127001251 342810862 /nfs/dbraw/zinc/81/08/62/342810862.db2.gz QTQVXFATLVLOSV-UHFFFAOYSA-N 1 0 201.254 2.264 10 30 BEEERO CCNC(=[NH2+])Cc1ccc(Br)cc1 ZINC000059925391 342875875 /nfs/dbraw/zinc/87/58/75/342875875.db2.gz RGJQIIWVLRGJHE-UHFFFAOYSA-N 1 0 241.132 2.369 10 30 BEEERO CCCC[C@@H](NC(N)=[NH2+])c1ccccc1 ZINC000060055042 342888449 /nfs/dbraw/zinc/88/84/49/342888449.db2.gz ANNPFCMPGJHXIK-LLVKDONJSA-N 1 0 205.305 2.191 10 30 BEEERO C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580301854 346874622 /nfs/dbraw/zinc/87/46/22/346874622.db2.gz VRKYLGGIFRSHNU-NEPJUHHUSA-N 1 0 210.365 2.176 10 30 BEEERO C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580301856 346874888 /nfs/dbraw/zinc/87/48/88/346874888.db2.gz VRKYLGGIFRSHNU-RYUDHWBXSA-N 1 0 210.365 2.176 10 30 BEEERO CC(C)(C#N)c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000117338860 342972147 /nfs/dbraw/zinc/97/21/47/342972147.db2.gz NHNWRYQIVBVSAJ-LBPRGKRZSA-N 1 0 200.285 2.434 10 30 BEEERO C#CC[NH2+]Cc1cccc(Br)c1 ZINC000019875344 187217199 /nfs/dbraw/zinc/21/71/99/187217199.db2.gz KUXWJYHGOHNBKX-UHFFFAOYSA-N 1 0 224.101 2.172 10 30 BEEERO C=C(C)CN1CCO[C@H](c2nccs2)C1 ZINC000171666216 187226984 /nfs/dbraw/zinc/22/69/84/187226984.db2.gz VRZHTQDPIXEBCU-JTQLQIEISA-N 1 0 224.329 2.093 10 30 BEEERO C#Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000118630697 343051734 /nfs/dbraw/zinc/05/17/34/343051734.db2.gz MMNJEFRVKSRZBJ-UHFFFAOYSA-N 1 0 215.296 2.143 10 30 BEEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1CCCF ZINC000584883482 343086198 /nfs/dbraw/zinc/08/61/98/343086198.db2.gz PLRWPPPWZSGQAU-JGPRNRPPSA-N 1 0 201.285 2.034 10 30 BEEERO C[NH+](C)CC#Cc1ccc(C(F)(F)F)cc1N ZINC000204725055 343121869 /nfs/dbraw/zinc/12/18/69/343121869.db2.gz NHLNHMTUNMKFDW-UHFFFAOYSA-N 1 0 242.244 2.201 10 30 BEEERO C=CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023478 136283860 /nfs/dbraw/zinc/28/38/60/136283860.db2.gz YZGKTCKLNYKOHR-CHWSQXEVSA-N 1 0 209.333 2.190 10 30 BEEERO CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846867 187252885 /nfs/dbraw/zinc/25/28/85/187252885.db2.gz ZIMUHFRWJWTFFR-NSHDSACASA-N 1 0 245.326 2.225 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310163726 343358347 /nfs/dbraw/zinc/35/83/47/343358347.db2.gz RBCOXDSQJDYLEM-UONOGXRCSA-N 1 0 236.359 2.475 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000054827421 136373178 /nfs/dbraw/zinc/37/31/78/136373178.db2.gz CIUAJLYOKGLPKQ-GXTWGEPZSA-N 1 0 230.311 2.347 10 30 BEEERO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)OC ZINC000308960502 346944170 /nfs/dbraw/zinc/94/41/70/346944170.db2.gz FYZUOZXMCLINSS-IJLUTSLNSA-N 1 0 210.321 2.083 10 30 BEEERO CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616687425 343537024 /nfs/dbraw/zinc/53/70/24/343537024.db2.gz YCLNBGBZLASUIX-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC(C)[N@H+](CCCO)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042504326 187265436 /nfs/dbraw/zinc/26/54/36/187265436.db2.gz BFKHUOLNXVIWTC-MGPQQGTHSA-N 1 0 238.375 2.408 10 30 BEEERO COCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251280331 343708587 /nfs/dbraw/zinc/70/85/87/343708587.db2.gz ZBOIJIVICOUBCT-SRVKXCTJSA-N 1 0 210.321 2.083 10 30 BEEERO C=CC[N+](C)(C)CC(=C)Br ZINC000003172717 187273942 /nfs/dbraw/zinc/27/39/42/187273942.db2.gz LWSDIUUPAOBYJM-UHFFFAOYSA-N 1 0 205.119 2.157 10 30 BEEERO CCCCCCCNc1cc(N)[nH+]c(C)n1 ZINC000409430006 343807116 /nfs/dbraw/zinc/80/71/16/343807116.db2.gz KJUUSVLSTXZYHY-UHFFFAOYSA-N 1 0 222.336 2.171 10 30 BEEERO CO[C@](C)(C[NH2+][C@H]1CCC[C@H]1C#N)C1CC1 ZINC000381044275 343883911 /nfs/dbraw/zinc/88/39/11/343883911.db2.gz GSVLCWULLXUTBH-WCFLWFBJSA-N 1 0 222.332 2.083 10 30 BEEERO C=C(C)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106387492 347013542 /nfs/dbraw/zinc/01/35/42/347013542.db2.gz QBIWKDVSBVDTRC-UHFFFAOYSA-N 1 0 233.359 2.478 10 30 BEEERO CC#CC[C@H]([NH3+])c1ccncc1Br ZINC000307638922 343957545 /nfs/dbraw/zinc/95/75/45/343957545.db2.gz YZWRZHISQVXTCF-JTQLQIEISA-N 1 0 239.116 2.257 10 30 BEEERO C#CCNC[C@H](C)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000053492434 187358495 /nfs/dbraw/zinc/35/84/95/187358495.db2.gz LSVJHXJWPUZNEI-ZNMIVQPWSA-N 1 0 234.387 2.252 10 30 BEEERO C=C(C)CN(CC)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881298 187358757 /nfs/dbraw/zinc/35/87/57/187358757.db2.gz QLHUVNIEQGCAHG-HNNXBMFYSA-N 1 0 246.354 2.285 10 30 BEEERO CCCCNC(=[NH2+])Nc1nncc2ccccc21 ZINC000027903948 344318251 /nfs/dbraw/zinc/31/82/51/344318251.db2.gz PYOBTAPFMUJLAP-UHFFFAOYSA-N 1 0 243.314 2.157 10 30 BEEERO COc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cn1 ZINC000062070624 344333509 /nfs/dbraw/zinc/33/35/09/344333509.db2.gz GKYQRGMOQFXNNW-CHWSQXEVSA-N 1 0 245.326 2.262 10 30 BEEERO COc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cn1 ZINC000062070626 344333547 /nfs/dbraw/zinc/33/35/47/344333547.db2.gz GKYQRGMOQFXNNW-QWHCGFSZSA-N 1 0 245.326 2.262 10 30 BEEERO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000135512418 344505733 /nfs/dbraw/zinc/50/57/33/344505733.db2.gz IAQNWSMQZIGGCA-WDEREUQCSA-N 1 0 215.300 2.184 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000054823802 344457522 /nfs/dbraw/zinc/45/75/22/344457522.db2.gz AZCUAWVWLRNCFD-JSGCOSHPSA-N 1 0 229.327 2.296 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000054823801 344457643 /nfs/dbraw/zinc/45/76/43/344457643.db2.gz AZCUAWVWLRNCFD-GXTWGEPZSA-N 1 0 229.327 2.296 10 30 BEEERO CCOCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054824274 344457686 /nfs/dbraw/zinc/45/76/86/344457686.db2.gz IBONAVDRNALSGN-NEPJUHHUSA-N 1 0 210.321 2.085 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000054825564 344471667 /nfs/dbraw/zinc/47/16/67/344471667.db2.gz OWQGWGOGACJMAW-KBPBESRZSA-N 1 0 229.327 2.296 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000054825562 344471878 /nfs/dbraw/zinc/47/18/78/344471878.db2.gz OWQGWGOGACJMAW-KGLIPLIRSA-N 1 0 229.327 2.296 10 30 BEEERO C=CCC[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000132649830 344522584 /nfs/dbraw/zinc/52/25/84/344522584.db2.gz BJWYCWHCYKNVNP-UHFFFAOYSA-N 1 0 238.375 2.143 10 30 BEEERO N#CCCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107795981 347066280 /nfs/dbraw/zinc/06/62/80/347066280.db2.gz RQOJGHSCBMUHGX-CQSZACIVSA-N 1 0 235.375 2.240 10 30 BEEERO C#CC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000045945311 192075379 /nfs/dbraw/zinc/07/53/79/192075379.db2.gz GICQOXNWPPYTBU-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C=C[C@@H](C)Nc1c(N)c[nH+]cc1Br ZINC000235210128 344845142 /nfs/dbraw/zinc/84/51/42/344845142.db2.gz TZRNHBUOQXLQBW-ZCFIWIBFSA-N 1 0 242.120 2.413 10 30 BEEERO C=C[C@]1(O)C[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000238465361 345052716 /nfs/dbraw/zinc/05/27/16/345052716.db2.gz DNTLHLDYMDJBDF-RVMXOQNASA-N 1 0 209.333 2.186 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000306235822 345130036 /nfs/dbraw/zinc/13/00/36/345130036.db2.gz OOSSLYFQBVYVAD-ZNSHCXBVSA-N 1 0 210.346 2.020 10 30 BEEERO CC(C)(CCC#N)C[NH2+]CC[C@H]1CCCO1 ZINC000126655883 345130268 /nfs/dbraw/zinc/13/02/68/345130268.db2.gz SZPBAVYMVGSJBZ-GFCCVEGCSA-N 1 0 224.348 2.475 10 30 BEEERO CC#CCC(=O)C1(C[NH3+])CCC(C)CC1 ZINC000226810445 345242380 /nfs/dbraw/zinc/24/23/80/345242380.db2.gz REKAQFDFPFSETK-UHFFFAOYSA-N 1 0 207.317 2.124 10 30 BEEERO C=C(c1ccccc1)[C@]1(O)CCCC[C@H]1[NH3+] ZINC000001613224 187301845 /nfs/dbraw/zinc/30/18/45/187301845.db2.gz DPJWTFXLGCZLRE-ZIAGYGMSSA-N 1 0 217.312 2.332 10 30 BEEERO Cc1cccc[n+]1NC(=O)c1ccccc1 ZINC000032233797 345739781 /nfs/dbraw/zinc/73/97/81/345739781.db2.gz CDHJGSMLGXTKDG-UHFFFAOYSA-O 1 0 213.260 2.050 10 30 BEEERO O=CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034181441 345818980 /nfs/dbraw/zinc/81/89/80/345818980.db2.gz VSBXJHJSMPWUDO-AWEZNQCLSA-N 1 0 217.312 2.488 10 30 BEEERO COc1ccc(C[N+](=O)C(C)(C)C)cc1 ZINC000034381051 345824460 /nfs/dbraw/zinc/82/44/60/345824460.db2.gz ORMAPJWECRKKAC-LCYFTJDESA-N 1 0 207.273 2.423 10 30 BEEERO C#C[C@@H]([NH3+])c1cccc(C)c1Br ZINC000235809212 345915534 /nfs/dbraw/zinc/91/55/34/345915534.db2.gz ADYYZHPFHNZXSN-SECBINFHSA-N 1 0 224.101 2.391 10 30 BEEERO C=C[C@@H](C)Oc1cccc(C[NH2+]CCOC)c1 ZINC000062731724 187361903 /nfs/dbraw/zinc/36/19/03/187361903.db2.gz SOFMYPRBLAQDMX-GFCCVEGCSA-N 1 0 235.327 2.376 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336232667 346203004 /nfs/dbraw/zinc/20/30/04/346203004.db2.gz DWLTYGBZLDDVTL-ZJUUUORDSA-N 1 0 214.259 2.314 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336232664 346203363 /nfs/dbraw/zinc/20/33/63/346203363.db2.gz DWLTYGBZLDDVTL-NXEZZACHSA-N 1 0 214.259 2.314 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336232666 346203441 /nfs/dbraw/zinc/20/34/41/346203441.db2.gz DWLTYGBZLDDVTL-VHSXEESVSA-N 1 0 214.259 2.314 10 30 BEEERO COc1ccc(C#C[C@H](C)[NH3+])cc1Cl ZINC000167016850 346183449 /nfs/dbraw/zinc/18/34/49/346183449.db2.gz FBFXVXRSQKMKAH-QMMMGPOBSA-N 1 0 209.676 2.047 10 30 BEEERO C=CCNc1c(N)c[nH+]cc1Br ZINC000236371981 346231789 /nfs/dbraw/zinc/23/17/89/346231789.db2.gz TZRIERSUVIPBPU-UHFFFAOYSA-N 1 0 228.093 2.024 10 30 BEEERO Cc1csc(CN[C@@H]2CCC[C@@H]2C#N)n1 ZINC000054825969 187318105 /nfs/dbraw/zinc/31/81/05/187318105.db2.gz APWXALLCTNYXFG-NXEZZACHSA-N 1 0 221.329 2.233 10 30 BEEERO C=CCOc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006032 187318647 /nfs/dbraw/zinc/31/86/47/187318647.db2.gz DMKRTAPHTIQCID-UHFFFAOYSA-N 1 0 243.310 2.264 10 30 BEEERO Cc1cccc(C[NH+]2CCN([C@H](C)C#N)CC2)c1 ZINC000049831483 179077626 /nfs/dbraw/zinc/07/76/26/179077626.db2.gz JGYKNUXBKNPYHV-CQSZACIVSA-N 1 0 243.354 2.025 10 30 BEEERO C#C[C@@H]([NH3+])[C@@H](C)Oc1cccc(Cl)c1 ZINC000163753592 346574980 /nfs/dbraw/zinc/57/49/80/346574980.db2.gz NTBFTKCWZZXCAH-LDYMZIIASA-N 1 0 209.676 2.068 10 30 BEEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000203551803 346637078 /nfs/dbraw/zinc/63/70/78/346637078.db2.gz COONNGOHJADQGL-GFCCVEGCSA-N 1 0 239.363 2.168 10 30 BEEERO C=CC[C@@H](C)[NH2+]Cc1cnn(CCC)c1 ZINC000116926933 347141906 /nfs/dbraw/zinc/14/19/06/347141906.db2.gz VBJHPFQBVARTOO-LLVKDONJSA-N 1 0 207.321 2.347 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250534080 362808403 /nfs/dbraw/zinc/80/84/03/362808403.db2.gz WJLBOLQHFITKIY-NEPJUHHUSA-N 1 0 207.317 2.396 10 30 BEEERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967490 179203942 /nfs/dbraw/zinc/20/39/42/179203942.db2.gz KAUAFZSVNDYYBY-YDHLFZDLSA-N 1 0 245.370 2.475 10 30 BEEERO CC[C@](C)(C[NH2+][C@H]1CCC[C@H]1C#N)OC ZINC000322681242 347405546 /nfs/dbraw/zinc/40/55/46/347405546.db2.gz IEQIUIQZRZDTNE-SDDRHHMPSA-N 1 0 210.321 2.083 10 30 BEEERO CC[C@](C)(C[NH2+][C@@H]1CCC[C@H]1C#N)OC ZINC000322681237 347405621 /nfs/dbraw/zinc/40/56/21/347405621.db2.gz IEQIUIQZRZDTNE-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO Cc1ccccc1C[N@H+](CC/C(N)=N/O)C1CC1 ZINC000042531542 179272754 /nfs/dbraw/zinc/27/27/54/179272754.db2.gz DFNFEPKMVFTEOO-UHFFFAOYSA-N 1 0 247.342 2.096 10 30 BEEERO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000592122694 347737311 /nfs/dbraw/zinc/73/73/11/347737311.db2.gz LYPGPGWBQOHGMK-TZMCWYRMSA-N 1 0 229.327 2.214 10 30 BEEERO CCSCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000308540386 347822467 /nfs/dbraw/zinc/82/24/67/347822467.db2.gz NSCFCMUEYNBSDZ-MNOVXSKESA-N 1 0 212.362 2.411 10 30 BEEERO Cc1ccc(C#N)c(NCCC2CC[NH2+]CC2)n1 ZINC000593233077 347873117 /nfs/dbraw/zinc/87/31/17/347873117.db2.gz IIKJUOHJRIAZMR-UHFFFAOYSA-N 1 0 244.342 2.063 10 30 BEEERO ON=C1CC[NH+](Cc2ccsc2)CC1 ZINC000036866927 347954173 /nfs/dbraw/zinc/95/41/73/347954173.db2.gz NVSRRCXGRRCYAI-UHFFFAOYSA-N 1 0 210.302 2.174 10 30 BEEERO Cc1ccccc1[C@H](C#N)NCCC[NH+](C)C ZINC000019987239 179333416 /nfs/dbraw/zinc/33/34/16/179333416.db2.gz ZHNSDOHBOKCARE-AWEZNQCLSA-N 1 0 231.343 2.101 10 30 BEEERO N#Cc1ccc2cc(C3([NH3+])CCC3)[nH]c2c1 ZINC000616574448 349078618 /nfs/dbraw/zinc/07/86/18/349078618.db2.gz PKWYOBAPYWKAFL-UHFFFAOYSA-N 1 0 211.268 2.377 10 30 BEEERO CC(C)(C)OCC[NH2+]Cc1cccc(C#N)c1 ZINC000122181783 362940697 /nfs/dbraw/zinc/94/06/97/362940697.db2.gz YFKQVNVWQKSHLJ-UHFFFAOYSA-N 1 0 232.327 2.463 10 30 BEEERO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1C#N ZINC000599434476 349173835 /nfs/dbraw/zinc/17/38/35/349173835.db2.gz BHCPPHZYEWFTOS-XHDPSFHLSA-N 1 0 244.338 2.069 10 30 BEEERO C[C@@H](C#N)Oc1c(Cl)cccc1C[NH3+] ZINC000159163040 349309400 /nfs/dbraw/zinc/30/94/00/349309400.db2.gz RUNBNKIOMXSYKP-ZETCQYMHSA-N 1 0 210.664 2.090 10 30 BEEERO CCCC1CC[NH+](C[C@@]2(C=O)CCOC2)CC1 ZINC000051177488 168607659 /nfs/dbraw/zinc/60/76/59/168607659.db2.gz VWMGQMHSDURQCE-CQSZACIVSA-N 1 0 239.359 2.104 10 30 BEEERO N#CCC1(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291294 350169903 /nfs/dbraw/zinc/16/99/03/350169903.db2.gz RIXRMAHQWJLROV-UKRRQHHQSA-N 1 0 248.370 2.307 10 30 BEEERO N#C[C@]1(N2CCCCCC2)CCSC1 ZINC000038086110 350304199 /nfs/dbraw/zinc/30/41/99/350304199.db2.gz VWDISYADPMGMCE-LLVKDONJSA-N 1 0 210.346 2.262 10 30 BEEERO Cc1nn(CCCCC#N)c(C)c1C[NH2+]C1CC1 ZINC000049578973 180387358 /nfs/dbraw/zinc/38/73/58/180387358.db2.gz RBUMYLXARQZBJM-UHFFFAOYSA-N 1 0 246.358 2.446 10 30 BEEERO CC(C)N1CCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600214 350779528 /nfs/dbraw/zinc/77/95/28/350779528.db2.gz BWGYSUGKDZJVRU-CQSZACIVSA-N 1 0 230.311 2.340 10 30 BEEERO N#Cc1ccc([C@H]2CCCC[N@H+]2CCO)cc1 ZINC000616614237 350830266 /nfs/dbraw/zinc/83/02/66/350830266.db2.gz MDMWKWQOVQOOHB-CQSZACIVSA-N 1 0 230.311 2.078 10 30 BEEERO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336680661 350902675 /nfs/dbraw/zinc/90/26/75/350902675.db2.gz OHKXQIUHWNUIFF-YNEHKIRRSA-N 1 0 229.339 2.289 10 30 BEEERO C=CCC[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000129051904 350975264 /nfs/dbraw/zinc/97/52/64/350975264.db2.gz LUMGMYOYMPXLNP-GFCCVEGCSA-N 1 0 239.340 2.056 10 30 BEEERO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000397773248 350975399 /nfs/dbraw/zinc/97/53/99/350975399.db2.gz HQAUQCXIBGUKCJ-IHRRRGAJSA-N 1 0 236.359 2.163 10 30 BEEERO C=CCC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000128988666 350954629 /nfs/dbraw/zinc/95/46/29/350954629.db2.gz SVSMCXBVKSMVAP-LLVKDONJSA-N 1 0 219.284 2.424 10 30 BEEERO C=C(Br)CNc1cc(C)c(N)c[nH+]1 ZINC000168189250 351335847 /nfs/dbraw/zinc/33/58/47/351335847.db2.gz UQUUGNXBLSDCNK-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO C=CCC[C@H]([NH3+])CNCc1ccccc1 ZINC000307028908 351430807 /nfs/dbraw/zinc/43/08/07/351430807.db2.gz LSXNMGGVHMOCNH-ZDUSSCGKSA-N 1 0 204.317 2.070 10 30 BEEERO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000307159511 351512152 /nfs/dbraw/zinc/51/21/52/351512152.db2.gz JIECBOAOZMTIQD-SECBINFHSA-N 1 0 248.754 2.242 10 30 BEEERO Cn1cc([C@H]2CCC[N@@H+]2CC2(CC#N)CC2)cn1 ZINC000386887177 363057490 /nfs/dbraw/zinc/05/74/90/363057490.db2.gz XJFNLPHYGWPTLY-CYBMUJFWSA-N 1 0 244.342 2.251 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1cccc(F)c1C#N ZINC000320631896 323576106 /nfs/dbraw/zinc/57/61/06/323576106.db2.gz BVNLGYPHXCXEOW-IUCAKERBSA-N 1 0 221.279 2.235 10 30 BEEERO CNC(Nc1ccsc1Cl)=[NH+]C ZINC000307245860 351751798 /nfs/dbraw/zinc/75/17/98/351751798.db2.gz WPXDOQUGXIDHOO-UHFFFAOYSA-N 1 0 203.698 2.019 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000638454902 352264353 /nfs/dbraw/zinc/26/43/53/352264353.db2.gz NNLCQROJPVFNIZ-WDEREUQCSA-N 1 0 226.364 2.078 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000638454265 352267269 /nfs/dbraw/zinc/26/72/69/352267269.db2.gz FSCSNLRFFLOTOY-RYUDHWBXSA-N 1 0 238.375 2.080 10 30 BEEERO Clc1sccc1C#C[C@H]1CC[NH2+]C1 ZINC000404891954 352618602 /nfs/dbraw/zinc/61/86/02/352618602.db2.gz XJSWVKBWZNNWMW-QMMMGPOBSA-N 1 0 211.717 2.363 10 30 BEEERO CC#CC[C@@H]([NH3+])c1nscc1Br ZINC000404821244 352577017 /nfs/dbraw/zinc/57/70/17/352577017.db2.gz SGNACBQIFCRYDC-SSDOTTSWSA-N 1 0 245.145 2.319 10 30 BEEERO CCN1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511868 352621321 /nfs/dbraw/zinc/62/13/21/352621321.db2.gz FEMJQOBZTSNDSC-IUODEOHRSA-N 1 0 243.354 2.303 10 30 BEEERO C[C@@H]1C[C@@]2(CO2)C[N@@H+]1Cc1ccccc1 ZINC000306598819 353028987 /nfs/dbraw/zinc/02/89/87/353028987.db2.gz YCVNBLNJZNUSFL-YPMHNXCESA-N 1 0 203.285 2.050 10 30 BEEERO CC#CC[C@H]([NH3+])c1ccoc1Br ZINC000232564353 353133282 /nfs/dbraw/zinc/13/32/82/353133282.db2.gz LXXPYRBIOXBTJU-QMMMGPOBSA-N 1 0 228.089 2.455 10 30 BEEERO CC(C)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049616529 188045784 /nfs/dbraw/zinc/04/57/84/188045784.db2.gz NDBMUMLHICSLBW-UHFFFAOYSA-N 1 0 235.302 2.010 10 30 BEEERO C=CC[NH2+]C[C@@H](C)N(CCOC)C(CC)CC ZINC000053497828 188046750 /nfs/dbraw/zinc/04/67/50/188046750.db2.gz NAIFPZZQIPPTNR-CYBMUJFWSA-N 1 0 242.407 2.288 10 30 BEEERO C#CCOc1ccccc1C[NH2+][C@H]1C[C@@H]1C ZINC000052272481 353193472 /nfs/dbraw/zinc/19/34/72/353193472.db2.gz STATYGXDTLHLPL-AAEUAGOBSA-N 1 0 215.296 2.197 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000037738400 358477398 /nfs/dbraw/zinc/47/73/98/358477398.db2.gz MBYJWZUJQWSOHL-AWEZNQCLSA-N 1 0 247.338 2.378 10 30 BEEERO CC(C)(C)[C@@H]1CCCC[C@]1(C#N)N1CC[NH2+]CC1 ZINC000019401733 188280469 /nfs/dbraw/zinc/28/04/69/188280469.db2.gz ARPRSBCYUGESSA-DZGCQCFKSA-N 1 0 249.402 2.390 10 30 BEEERO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)C/C(N)=N/O)c1 ZINC000063089765 188304223 /nfs/dbraw/zinc/30/42/23/188304223.db2.gz SRGQWGJIIAUDHA-GFCCVEGCSA-N 1 0 249.358 2.260 10 30 BEEERO C=C(C)C[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000058524767 188259186 /nfs/dbraw/zinc/25/91/86/188259186.db2.gz WVJROSTZQMARBK-UHFFFAOYSA-N 1 0 238.375 2.143 10 30 BEEERO CC#CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000090919510 353395828 /nfs/dbraw/zinc/39/58/28/353395828.db2.gz DBGWCSPKKYJURA-LLVKDONJSA-N 1 0 231.295 2.132 10 30 BEEERO CC(C)[N@H+](CCC/C(N)=N/O)Cc1ccccc1 ZINC000019477521 188349367 /nfs/dbraw/zinc/34/93/67/188349367.db2.gz KOYIRQZUDZXAOT-UHFFFAOYSA-N 1 0 249.358 2.424 10 30 BEEERO C=CC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019875926 188351623 /nfs/dbraw/zinc/35/16/23/188351623.db2.gz OTTIQVJBTVDGGY-SECBINFHSA-N 1 0 207.273 2.237 10 30 BEEERO C[n+]1cccc(/C=C2\CCCCC2=O)c1 ZINC000033956278 188359054 /nfs/dbraw/zinc/35/90/54/188359054.db2.gz UFFHVVDMMFJAID-FMIVXFBMSA-N 1 0 202.277 2.038 10 30 BEEERO N#CC1(Nc2ccccc2Cl)CC[NH2+]CC1 ZINC000040695157 181030708 /nfs/dbraw/zinc/03/07/08/181030708.db2.gz UHNSTUPEOHFKLB-UHFFFAOYSA-N 1 0 235.718 2.398 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000054825939 181058687 /nfs/dbraw/zinc/05/86/87/181058687.db2.gz HRUQPDAXOUMECB-WCQYABFASA-N 1 0 218.300 2.494 10 30 BEEERO N#Cc1c(CSCC[NH3+])cn2ccccc12 ZINC000037035744 181072889 /nfs/dbraw/zinc/07/28/89/181072889.db2.gz UMLGUYPRBCLONP-UHFFFAOYSA-N 1 0 231.324 2.003 10 30 BEEERO N#Cc1c(Cl)cccc1OC[C@@H]1CCC[NH2+]1 ZINC000052908497 181073792 /nfs/dbraw/zinc/07/37/92/181073792.db2.gz BEQNXZMFWOBGKC-VIFPVBQESA-N 1 0 236.702 2.342 10 30 BEEERO N#C[C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825917 181067678 /nfs/dbraw/zinc/06/76/78/181067678.db2.gz JWUQAIQZTFOMTN-BFHYXJOUSA-N 1 0 236.359 2.475 10 30 BEEERO N#Cc1cc(F)ccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000126306889 181088178 /nfs/dbraw/zinc/08/81/78/181088178.db2.gz GRBYMXCRDPPOKG-RYUDHWBXSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000126307162 181088234 /nfs/dbraw/zinc/08/82/34/181088234.db2.gz GRBYMXCRDPPOKG-VXGBXAGGSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(N)ccc1NCCC[NH+]1CCCC1 ZINC000062069992 181089502 /nfs/dbraw/zinc/08/95/02/181089502.db2.gz HZPXTHUOQLFIPT-UHFFFAOYSA-N 1 0 244.342 2.038 10 30 BEEERO N#Cc1cc(N[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000043326179 181091516 /nfs/dbraw/zinc/09/15/16/181091516.db2.gz HFSRJZDAKOROMB-LLVKDONJSA-N 1 0 235.718 2.376 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232455397 363372992 /nfs/dbraw/zinc/37/29/92/363372992.db2.gz MNFLKXTXSATERT-VHSXEESVSA-N 1 0 246.148 2.052 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)c(F)c1 ZINC000038097295 181107807 /nfs/dbraw/zinc/10/78/07/181107807.db2.gz JEEVZXBRRKGGLH-ZDUSSCGKSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(COC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000051815909 181111091 /nfs/dbraw/zinc/11/10/91/181111091.db2.gz UGPXCPMNAARXIM-CYBMUJFWSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(Cl)cc1OC[C@@H]1CCC[NH2+]1 ZINC000062786566 181111658 /nfs/dbraw/zinc/11/16/58/181111658.db2.gz FTNIZXMJXPDVSL-NSHDSACASA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050704 181124286 /nfs/dbraw/zinc/12/42/86/181124286.db2.gz MIFDULJQMFOYTO-CHWSQXEVSA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050705 181126344 /nfs/dbraw/zinc/12/63/44/181126344.db2.gz MIFDULJQMFOYTO-OLZOCXBDSA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1ccc(OC[C@@H]2CCCC[NH2+]2)cc1 ZINC000051883273 181128354 /nfs/dbraw/zinc/12/83/54/181128354.db2.gz DNKZPWVCKZQHLE-LBPRGKRZSA-N 1 0 216.284 2.079 10 30 BEEERO N#Cc1cccc(-c2cncc(C[NH3+])c2)c1 ZINC000091364451 181133874 /nfs/dbraw/zinc/13/38/74/181133874.db2.gz OSSVNFFADBKPNL-UHFFFAOYSA-N 1 0 209.252 2.079 10 30 BEEERO N#Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2O)c1 ZINC000037749255 181138245 /nfs/dbraw/zinc/13/82/45/181138245.db2.gz YHCIFSZIVXIEKQ-LSDHHAIUSA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1cccc(CC2CC[NH2+]CC2)c1 ZINC000035571867 181136440 /nfs/dbraw/zinc/13/64/40/181136440.db2.gz IIRKYWMNWGCABF-UHFFFAOYSA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c1 ZINC000037749253 181137555 /nfs/dbraw/zinc/13/75/55/181137555.db2.gz YHCIFSZIVXIEKQ-GJZGRUSLSA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccccc1-c1cncc(C[NH3+])c1 ZINC000091362143 181144241 /nfs/dbraw/zinc/14/42/41/181144241.db2.gz MKPPXUKKSRTVNO-UHFFFAOYSA-N 1 0 209.252 2.079 10 30 BEEERO N#Cc1ccccc1NCC[NH+]1CCCC1 ZINC000048936549 181147677 /nfs/dbraw/zinc/14/76/77/181147677.db2.gz YWVMGLRWIMPIEN-UHFFFAOYSA-N 1 0 215.300 2.066 10 30 BEEERO N#Cc1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020077182 181149036 /nfs/dbraw/zinc/14/90/36/181149036.db2.gz CWHDVVZRXYZJDN-AWEZNQCLSA-N 1 0 227.311 2.064 10 30 BEEERO CO[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000383658237 354803996 /nfs/dbraw/zinc/80/39/96/354803996.db2.gz FUNSFEFARSGJFX-KWCYVHTRSA-N 1 0 236.359 2.473 10 30 BEEERO CSC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000235118927 363438643 /nfs/dbraw/zinc/43/86/43/363438643.db2.gz WJWRMMWXAOMUNW-ZJUUUORDSA-N 1 0 210.346 2.164 10 30 BEEERO C#C[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000166524970 355667578 /nfs/dbraw/zinc/66/75/78/355667578.db2.gz NADJRZOCBAYTOF-KOLCDFICSA-N 1 0 203.310 2.445 10 30 BEEERO CCN1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139519 355730628 /nfs/dbraw/zinc/73/06/28/355730628.db2.gz GSHJLICXKNGEQR-GFCCVEGCSA-N 1 0 223.364 2.000 10 30 BEEERO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCO1 ZINC000035247559 356425774 /nfs/dbraw/zinc/42/57/74/356425774.db2.gz FUKAJWYALPTNDW-BXUZGUMPSA-N 1 0 230.311 2.215 10 30 BEEERO C=CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000019875880 356485199 /nfs/dbraw/zinc/48/51/99/356485199.db2.gz PIHRAXRUPLQGCY-SNVBAGLBSA-N 1 0 219.284 2.294 10 30 BEEERO C[N@@H+]1CCC[C@@H]2CN(CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122274 /nfs/dbraw/zinc/12/22/74/134122274.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 1 0 247.386 2.096 10 30 BEEERO C=CCCC[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000675051404 538474476 /nfs/dbraw/zinc/47/44/76/538474476.db2.gz RYECSAROZGEQGG-JTQLQIEISA-N 1 0 228.336 2.195 10 30 BEEERO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000193303486 357873555 /nfs/dbraw/zinc/87/35/55/357873555.db2.gz IUUWUOMFJCGLCP-CYBMUJFWSA-N 1 0 238.375 2.285 10 30 BEEERO C[C@@H]1C[C@@H]([N@H+](C)CCCCC#N)CCN1C ZINC000123447105 134243637 /nfs/dbraw/zinc/24/36/37/134243637.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 1 0 223.364 2.095 10 30 BEEERO CC[NH+](CC)CCNN=C(C1CC1)C1CC1 ZINC000584602403 358260135 /nfs/dbraw/zinc/26/01/35/358260135.db2.gz YDWYQCVFDQLWNQ-UHFFFAOYSA-N 1 0 223.364 2.094 10 30 BEEERO CN(C)/C=[NH+]/c1cc(C#N)cn1C(C)(C)C ZINC000584662144 358312692 /nfs/dbraw/zinc/31/26/92/358312692.db2.gz PPCIDMIAHLABMN-NTEUORMPSA-N 1 0 218.304 2.336 10 30 BEEERO COc1ccc2[nH]cc([C@@H](C#N)[C@H](C)[NH3+])c2c1 ZINC000584618847 358284715 /nfs/dbraw/zinc/28/47/15/358284715.db2.gz SVBGSYFPFLTREK-KWQFWETISA-N 1 0 229.283 2.131 10 30 BEEERO C=CC[C@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000584636813 358321568 /nfs/dbraw/zinc/32/15/68/358321568.db2.gz FYFGTPYBZJGNFF-GJZGRUSLSA-N 1 0 231.339 2.402 10 30 BEEERO C#CC[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000132199383 358710837 /nfs/dbraw/zinc/71/08/37/358710837.db2.gz BRFICHKWKUMQDF-ZDUSSCGKSA-N 1 0 243.354 2.052 10 30 BEEERO OCCC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000052762653 358793276 /nfs/dbraw/zinc/79/32/76/358793276.db2.gz CXSGCTRDSOGKBD-MRXNPFEDSA-N 1 0 243.350 2.275 10 30 BEEERO CC[NH+](CC)CCCN[C@H]1CCC[C@H]1C#N ZINC000054824026 358876131 /nfs/dbraw/zinc/87/61/31/358876131.db2.gz CINJQOJLKPJZCK-STQMWFEESA-N 1 0 223.364 2.000 10 30 BEEERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000070361726 359050916 /nfs/dbraw/zinc/05/09/16/359050916.db2.gz ZBMNHGFFQXKJTL-SYQHCUMBSA-N 1 0 236.359 2.472 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000130280574 359001852 /nfs/dbraw/zinc/00/18/52/359001852.db2.gz CGDKVLWKGPTMPU-SECBINFHSA-N 1 0 228.064 2.221 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(Br)cc1OC ZINC000130320566 359498486 /nfs/dbraw/zinc/49/84/86/359498486.db2.gz PAXXYCGMCQUFJO-SECBINFHSA-N 1 0 240.100 2.091 10 30 BEEERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000040671885 359757016 /nfs/dbraw/zinc/75/70/16/359757016.db2.gz AQLOWLIASOOMMM-WFASDCNBSA-N 1 0 243.354 2.303 10 30 BEEERO C#CC[C@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169284168 360070038 /nfs/dbraw/zinc/07/00/38/360070038.db2.gz ZKCAQIALWNLYBR-VIFPVBQESA-N 1 0 211.667 2.372 10 30 BEEERO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000306462185 360071769 /nfs/dbraw/zinc/07/17/69/360071769.db2.gz HAOPGEAXCAKUHF-HLTSFMKQSA-N 1 0 202.248 2.312 10 30 BEEERO C#C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)F)C1 ZINC000306474423 360111499 /nfs/dbraw/zinc/11/14/99/360111499.db2.gz VVZRGXAERVJDPI-GUBZILKMSA-N 1 0 201.260 2.422 10 30 BEEERO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)F)C1 ZINC000306474422 360111512 /nfs/dbraw/zinc/11/15/12/360111512.db2.gz VVZRGXAERVJDPI-AEJSXWLSSA-N 1 0 201.260 2.422 10 30 BEEERO CN/C(=[NH+]/C)SCC=C(Cl)Cl ZINC000403848382 360347527 /nfs/dbraw/zinc/34/75/27/360347527.db2.gz RUIVNSBBWMKRHB-UHFFFAOYSA-N 1 0 213.133 2.244 10 30 BEEERO C=C([C@@H]([NH3+])[C@@]1(C)CCCO1)C(F)(F)F ZINC000306561735 360438863 /nfs/dbraw/zinc/43/88/63/360438863.db2.gz NRYPPJJBIBKELX-HTQZYQBOSA-N 1 0 209.211 2.001 10 30 BEEERO CS[C@H]1CCC[N@H+](C[C@H](C)C#N)CC1 ZINC000300806322 360512390 /nfs/dbraw/zinc/51/23/90/360512390.db2.gz GKNUJSOHALABFX-MNOVXSKESA-N 1 0 212.362 2.364 10 30 BEEERO N#Cc1cc(Cl)cc([C@H]2CC[NH2+]C2)c1 ZINC000238534394 361143634 /nfs/dbraw/zinc/14/36/34/361143634.db2.gz BEHMJGPBXLNFGP-VIFPVBQESA-N 1 0 206.676 2.289 10 30 BEEERO C=CC[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162584409 361356317 /nfs/dbraw/zinc/35/63/17/361356317.db2.gz WWOBWCXOMJXRIU-BJDJZHNGSA-N 1 0 209.333 2.354 10 30 BEEERO N#Cc1cc(C[NH2+]Cc2ccccc2)ccn1 ZINC000068751139 361643665 /nfs/dbraw/zinc/64/36/65/361643665.db2.gz OARYVEQGPFYBBC-UHFFFAOYSA-N 1 0 223.279 2.243 10 30 BEEERO C#CCOc1c(C[NH2+]C(C)C)cccc1OC ZINC000037709695 363895865 /nfs/dbraw/zinc/89/58/65/363895865.db2.gz JZVFBASAPUUPJI-UHFFFAOYSA-N 1 0 233.311 2.205 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000134923488 364419165 /nfs/dbraw/zinc/41/91/65/364419165.db2.gz LMSOBJJEWOQSTR-XQQFMLRXSA-N 1 0 211.349 2.482 10 30 BEEERO CC[C@H]1CN(c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000122947651 368972031 /nfs/dbraw/zinc/97/20/31/368972031.db2.gz PFNUTQLTAJUJME-JSGCOSHPSA-N 1 0 229.327 2.122 10 30 BEEERO CC[C@@H]1CN(c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000122947433 368973060 /nfs/dbraw/zinc/97/30/60/368973060.db2.gz PFNUTQLTAJUJME-OCCSQVGLSA-N 1 0 229.327 2.122 10 30 BEEERO CC[C@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1[NH3+] ZINC000122933960 368964872 /nfs/dbraw/zinc/96/48/72/368964872.db2.gz MSPSLJBYHSKOGY-GWCFXTLKSA-N 1 0 247.317 2.261 10 30 BEEERO C=C[C@@H]([NH2+]C)c1ccc(Br)cn1 ZINC000130800416 369031969 /nfs/dbraw/zinc/03/19/69/369031969.db2.gz FNBHAAPFDHVFKN-MRVPVSSYSA-N 1 0 227.105 2.291 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827384 369101049 /nfs/dbraw/zinc/10/10/49/369101049.db2.gz QJNUMKZESJMRNB-RWMBFGLXSA-N 1 0 222.332 2.227 10 30 BEEERO CCOC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054827850 369101112 /nfs/dbraw/zinc/10/11/12/369101112.db2.gz MHZKNOCBMYXLSP-TUAOUCFPSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000230632526 369452072 /nfs/dbraw/zinc/45/20/72/369452072.db2.gz MYHUNAQUDUYTLZ-ZWNOBZJWSA-N 1 0 248.301 2.354 10 30 BEEERO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000230632508 369452338 /nfs/dbraw/zinc/45/23/38/369452338.db2.gz MYHUNAQUDUYTLZ-MFKMUULPSA-N 1 0 248.301 2.354 10 30 BEEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000600959580 369575706 /nfs/dbraw/zinc/57/57/06/369575706.db2.gz ZSXVYDHQZTYHTF-CYBMUJFWSA-N 1 0 229.327 2.266 10 30 BEEERO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C#N)CC[N@@H+]1C ZINC000252134598 369999230 /nfs/dbraw/zinc/99/92/30/369999230.db2.gz MKMPJRFLRXITTR-XJFOESAGSA-N 1 0 235.375 2.141 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1cc(C#N)cc(C)n1 ZINC000161780363 371564482 /nfs/dbraw/zinc/56/44/82/371564482.db2.gz BMYRZPFVBALQRJ-LBPRGKRZSA-N 1 0 232.331 2.191 10 30 BEEERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1nncs1 ZINC000050940763 181824251 /nfs/dbraw/zinc/82/42/51/181824251.db2.gz BKSISCKAWQHMEH-MRVPVSSYSA-N 1 0 240.332 2.048 10 30 BEEERO C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CO1 ZINC000306729087 372061074 /nfs/dbraw/zinc/06/10/74/372061074.db2.gz OGKHZRXMEUBNIJ-YNEHKIRRSA-N 1 0 209.333 2.430 10 30 BEEERO C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)[C@@H]1CO1 ZINC000306729083 372061185 /nfs/dbraw/zinc/06/11/85/372061185.db2.gz OGKHZRXMEUBNIJ-JHJVBQTASA-N 1 0 209.333 2.430 10 30 BEEERO CC[NH2+]CCCNc1c(F)cc(C#N)cc1F ZINC000133661815 372086229 /nfs/dbraw/zinc/08/62/29/372086229.db2.gz VFASRDYPXCXIDF-UHFFFAOYSA-N 1 0 239.269 2.248 10 30 BEEERO CC[NH2+]CC#Cc1occc1Br ZINC000229453826 372152943 /nfs/dbraw/zinc/15/29/43/372152943.db2.gz RFTIQZRHMLKHPM-UHFFFAOYSA-N 1 0 228.089 2.003 10 30 BEEERO CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000040503283 373354326 /nfs/dbraw/zinc/35/43/26/373354326.db2.gz BINFNUIJKOXBDY-AWEZNQCLSA-N 1 0 229.327 2.454 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000040671883 373589446 /nfs/dbraw/zinc/58/94/46/373589446.db2.gz AQLOWLIASOOMMM-SWLSCSKDSA-N 1 0 243.354 2.303 10 30 BEEERO CCN(CCC#N)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906624 169815195 /nfs/dbraw/zinc/81/51/95/169815195.db2.gz SJAUWUBAYKHAHX-AWEZNQCLSA-N 1 0 231.343 2.230 10 30 BEEERO OCCC#Cc1cc(C[NH+]2CCCC2)ccc1F ZINC000049615611 183040708 /nfs/dbraw/zinc/04/07/08/183040708.db2.gz FSBBOUGEWJBWSR-UHFFFAOYSA-N 1 0 247.313 2.155 10 30 BEEERO OCCC#Cc1cccc(C[NH+]2CCCC2)c1 ZINC000049615605 183042288 /nfs/dbraw/zinc/04/22/88/183042288.db2.gz QUWIKMAQTQOHHJ-UHFFFAOYSA-N 1 0 229.323 2.016 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)c(C)n1 ZINC000310333572 169003372 /nfs/dbraw/zinc/00/33/72/169003372.db2.gz ASHFENMUAHWGJT-GFCCVEGCSA-N 1 0 232.331 2.191 10 30 BEEERO CCC[N@H+](CC)Cc1ccccc1C#CCO ZINC000049617324 169129924 /nfs/dbraw/zinc/12/99/24/169129924.db2.gz LAONSESVZRXFTE-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](CC1CC1)C[C@@]1(C=O)CCCOC1 ZINC000104323068 169138180 /nfs/dbraw/zinc/13/81/80/169138180.db2.gz BQNXIUYTRFRHLV-CQSZACIVSA-N 1 0 239.359 2.104 10 30 BEEERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000076629096 169381996 /nfs/dbraw/zinc/38/19/96/169381996.db2.gz AXDPHKRRCKJLML-LBPRGKRZSA-N 1 0 245.326 2.262 10 30 BEEERO N#Cc1cc(F)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000335017315 384011586 /nfs/dbraw/zinc/01/15/86/384011586.db2.gz ICXSBBAWABWPQK-UHFFFAOYSA-N 1 0 245.301 2.030 10 30 BEEERO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000128092174 384153197 /nfs/dbraw/zinc/15/31/97/384153197.db2.gz MNOXGYBHYMEXLQ-SNVBAGLBSA-N 1 0 236.340 2.231 10 30 BEEERO CC#CC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000119377470 384358596 /nfs/dbraw/zinc/35/85/96/384358596.db2.gz VKECLDHFJVIEFO-CYBMUJFWSA-N 1 0 209.333 2.291 10 30 BEEERO Cc1ccncc1N[C@@H]1CC[C@H](C#N)C1 ZINC000335599759 384370487 /nfs/dbraw/zinc/37/04/87/384370487.db2.gz OQYJHVNYJCDREX-WDEREUQCSA-N 1 0 201.273 2.494 10 30 BEEERO N#CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035160705 384403302 /nfs/dbraw/zinc/40/33/02/384403302.db2.gz PMGPIWMORUWUJB-UHFFFAOYSA-N 1 0 204.317 2.314 10 30 BEEERO Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(C)n1 ZINC000157410897 384436850 /nfs/dbraw/zinc/43/68/50/384436850.db2.gz NHNDHSXPDXKQGN-JTQLQIEISA-N 1 0 246.358 2.322 10 30 BEEERO N#Cc1ccc(N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000084548720 384737500 /nfs/dbraw/zinc/73/75/00/384737500.db2.gz XCLQFNBKLGHFKQ-UHFFFAOYSA-N 1 0 241.338 2.138 10 30 BEEERO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1C#N ZINC000083730045 384850486 /nfs/dbraw/zinc/85/04/86/384850486.db2.gz LNRPAWRBUSMPNH-BXKDBHETSA-N 1 0 216.284 2.065 10 30 BEEERO Cc1cnn([C@@H]2CCC[N@H+](CCCC#N)C2)c1 ZINC000105900583 384889221 /nfs/dbraw/zinc/88/92/21/384889221.db2.gz OWPOBXYVNXAFCN-CYBMUJFWSA-N 1 0 232.331 2.132 10 30 BEEERO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127835543 384912486 /nfs/dbraw/zinc/91/24/86/384912486.db2.gz CPJGTUAPVZQKSJ-NEPJUHHUSA-N 1 0 221.348 2.153 10 30 BEEERO COc1ccccc1[C@H](C)NCCC#N ZINC000020199546 385422468 /nfs/dbraw/zinc/42/24/68/385422468.db2.gz FZCLPDILZVYDBT-JTQLQIEISA-N 1 0 204.273 2.259 10 30 BEEERO N#Cc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000259887299 385589910 /nfs/dbraw/zinc/58/99/10/385589910.db2.gz BJZIMKNMBDBXPD-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000595484107 385630336 /nfs/dbraw/zinc/63/03/36/385630336.db2.gz XWEPBMSEIIOHDX-JHJVBQTASA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CCCOC1 ZINC000309589771 385720681 /nfs/dbraw/zinc/72/06/81/385720681.db2.gz ULSATMDYARTERU-ZDEQEGDKSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C#N)cc1 ZINC000396648277 385723573 /nfs/dbraw/zinc/72/35/73/385723573.db2.gz LBPBXLSMQCXEBU-YWPYICTPSA-N 1 0 243.354 2.349 10 30 BEEERO N#Cc1cc(C(F)(F)F)ccc1C[NH3+] ZINC000260396157 385792958 /nfs/dbraw/zinc/79/29/58/385792958.db2.gz ZHJVVCOELWPEGV-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)cc1 ZINC000309307466 386085638 /nfs/dbraw/zinc/08/56/38/386085638.db2.gz DNKBLVXRQVQECS-LLVKDONJSA-N 1 0 217.316 2.488 10 30 BEEERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000425343538 386856137 /nfs/dbraw/zinc/85/61/37/386856137.db2.gz RZNAEZNUJBMYTM-XWLWVQCSSA-N 1 0 210.346 2.162 10 30 BEEERO C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCO1 ZINC000051814132 386870813 /nfs/dbraw/zinc/87/08/13/386870813.db2.gz FZBSFMUWOQDZIO-ZFWWWQNUSA-N 1 0 229.323 2.195 10 30 BEEERO C=CCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398794555 386993053 /nfs/dbraw/zinc/99/30/53/386993053.db2.gz QXKQAMGAONCOKO-YNEHKIRRSA-N 1 0 209.333 2.045 10 30 BEEERO C#C[C@H]([NH3+])c1ccsc1Br ZINC000575464881 387060237 /nfs/dbraw/zinc/06/02/37/387060237.db2.gz OHNYXCAVVXNFOE-LURJTMIESA-N 1 0 216.103 2.144 10 30 BEEERO CC[NH2+]CC#Cc1ccc(Br)cc1 ZINC000575458018 387021744 /nfs/dbraw/zinc/02/17/44/387021744.db2.gz XXTKANDUJFEKSA-UHFFFAOYSA-N 1 0 238.128 2.410 10 30 BEEERO N#Cc1cc([C@H]([NH3+])CC(F)F)ccc1F ZINC000575437401 387107500 /nfs/dbraw/zinc/10/75/00/387107500.db2.gz VRSUACNCDHDBAC-SECBINFHSA-N 1 0 214.190 2.352 10 30 BEEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000105569343 387124805 /nfs/dbraw/zinc/12/48/05/387124805.db2.gz IKQYEBQXSHEDIF-LBPRGKRZSA-N 1 0 249.745 2.352 10 30 BEEERO C[C@@H]([NH3+])C#Cc1cccc(Br)c1 ZINC000575493438 387273306 /nfs/dbraw/zinc/27/33/06/387273306.db2.gz NMUOLEVRORUWAO-MRVPVSSYSA-N 1 0 224.101 2.148 10 30 BEEERO C[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000104226472 387488590 /nfs/dbraw/zinc/48/85/90/387488590.db2.gz XIPPHEIQFKROPM-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295049344 387834356 /nfs/dbraw/zinc/83/43/56/387834356.db2.gz PHVLSHJHEWXADC-IINYFYTJSA-N 1 0 248.301 2.043 10 30 BEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC#N ZINC000246195948 388019177 /nfs/dbraw/zinc/01/91/77/388019177.db2.gz AAMDXYZSPMTLDE-KBPBESRZSA-N 1 0 235.375 2.239 10 30 BEEERO C=C(C)CC[NH2+]Cc1csc(COC)n1 ZINC000648727223 388416020 /nfs/dbraw/zinc/41/60/20/388416020.db2.gz GWDCOSMPCGPQIE-UHFFFAOYSA-N 1 0 226.345 2.345 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1cc(C)nc(C#N)c1 ZINC000308238327 388658439 /nfs/dbraw/zinc/65/84/39/388658439.db2.gz IHTPOMALRWHWCB-NSHDSACASA-N 1 0 232.331 2.191 10 30 BEEERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000251710126 388751818 /nfs/dbraw/zinc/75/18/18/388751818.db2.gz BPHSKBDYLYXLKL-FPYNETTCSA-N 1 0 222.332 2.224 10 30 BEEERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036293 388704976 /nfs/dbraw/zinc/70/49/76/388704976.db2.gz SSCKGVQSOKTNKF-RDBSUJKOSA-N 1 0 235.375 2.143 10 30 BEEERO C=C(Br)C[NH2+]C1CC(F)(F)C1 ZINC000575459269 388802711 /nfs/dbraw/zinc/80/27/11/388802711.db2.gz QLHOMWITNIMRJJ-UHFFFAOYSA-N 1 0 226.064 2.282 10 30 BEEERO C#C[C@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575495800 388959452 /nfs/dbraw/zinc/95/94/52/388959452.db2.gz BTGJQUVVVVYLHW-QMMMGPOBSA-N 1 0 201.603 2.251 10 30 BEEERO N#Cc1ccc(Cl)cc1N1CCC(C[NH3+])CC1 ZINC000062785827 132241157 /nfs/dbraw/zinc/24/11/57/132241157.db2.gz QEQQIJHTMOVHCD-UHFFFAOYSA-N 1 0 249.745 2.387 10 30 BEEERO Cc1cc(C#N)cc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000161744962 133515812 /nfs/dbraw/zinc/51/58/12/133515812.db2.gz CCUAGROCSNYSMY-LBPRGKRZSA-N 1 0 232.331 2.047 10 30 BEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252137822 133648983 /nfs/dbraw/zinc/64/89/83/133648983.db2.gz LTJZYSIZKDYHTH-RISCZKNCSA-N 1 0 229.327 2.122 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000104162321 134159372 /nfs/dbraw/zinc/15/93/72/134159372.db2.gz WDWRGDMHVPPEBF-KGLIPLIRSA-N 1 0 243.354 2.247 10 30 BEEERO CC#CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000119280725 134225606 /nfs/dbraw/zinc/22/56/06/134225606.db2.gz RXXTWJSSOIPXJS-CYBMUJFWSA-N 1 0 231.343 2.197 10 30 BEEERO CC#CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000300847056 134229523 /nfs/dbraw/zinc/22/95/23/134229523.db2.gz APDPBHFLXIDJET-ZDUSSCGKSA-N 1 0 221.344 2.339 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223941612 134343554 /nfs/dbraw/zinc/34/35/54/134343554.db2.gz RZEFRRHLRJVASI-AVGNSLFASA-N 1 0 222.332 2.227 10 30 BEEERO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000125325154 134608307 /nfs/dbraw/zinc/60/83/07/134608307.db2.gz REWJFTSTCWHLQK-CHWSQXEVSA-N 1 0 209.333 2.500 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1nc(C)cc(C)c1C#N ZINC000130585017 134620355 /nfs/dbraw/zinc/62/03/55/134620355.db2.gz VKJRWSVVTALFPL-GFCCVEGCSA-N 1 0 246.358 2.500 10 30 BEEERO C=CCOc1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000134518241 134711706 /nfs/dbraw/zinc/71/17/06/134711706.db2.gz ZIJAHUFOSWOENU-UHFFFAOYSA-N 1 0 247.338 2.256 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253097603 135121300 /nfs/dbraw/zinc/12/13/00/135121300.db2.gz RUULJQABLFHPDD-RRFJBIMHSA-N 1 0 235.371 2.415 10 30 BEEERO C[NH+]=C(N[C@@H](C)c1ccc(C)c(F)c1)N(C)C ZINC000261939253 135264119 /nfs/dbraw/zinc/26/41/19/135264119.db2.gz DFPOAMNKSIUCNM-JTQLQIEISA-N 1 0 237.322 2.332 10 30 BEEERO C[NH+]=C(NCC(C)(C)SC)N[C@@H]1CC1(C)C ZINC000262569075 135306397 /nfs/dbraw/zinc/30/63/97/135306397.db2.gz YPJIAWIGKWUAKH-SECBINFHSA-N 1 0 243.420 2.092 10 30 BEEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)NC1CCCCCC1 ZINC000262686424 135313993 /nfs/dbraw/zinc/31/39/93/135313993.db2.gz ASLSPBDRFFOHOF-UWVGGRQHSA-N 1 0 245.317 2.267 10 30 BEEERO CC(C)CNC(=[NH2+])NCC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263065525 135330551 /nfs/dbraw/zinc/33/05/51/135330551.db2.gz GCZHBOXUOCPJQS-AGIUHOORSA-N 1 0 235.375 2.149 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@]1(CC)C(C)C ZINC000263122854 135334034 /nfs/dbraw/zinc/33/40/34/135334034.db2.gz MEHYCATYNVNSTE-YPMHNXCESA-N 1 0 223.364 2.292 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@]1(CC)C(C)C ZINC000263122849 135334245 /nfs/dbraw/zinc/33/42/45/135334245.db2.gz MEHYCATYNVNSTE-AAEUAGOBSA-N 1 0 223.364 2.292 10 30 BEEERO COc1cccc(NC(=[NH2+])NC[C@H]2CC23CC3)c1 ZINC000263155136 135336177 /nfs/dbraw/zinc/33/61/77/135336177.db2.gz PXYOCMXIQSATEV-SNVBAGLBSA-N 1 0 245.326 2.222 10 30 BEEERO [NH2+]=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)NC1CCC1 ZINC000263168774 135337144 /nfs/dbraw/zinc/33/71/44/135337144.db2.gz RQIGROXRJPWXFI-GRYCIOLGSA-N 1 0 233.359 2.046 10 30 BEEERO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC1 ZINC000263204347 135339577 /nfs/dbraw/zinc/33/95/77/135339577.db2.gz XWUVZNNYOUYCSZ-STQMWFEESA-N 1 0 235.375 2.223 10 30 BEEERO [NH2+]=C(NC[C@@H]1CC12CC2)NC1CCCCCC1 ZINC000263215476 135339940 /nfs/dbraw/zinc/33/99/40/135339940.db2.gz ZUQIHQSDODUDHX-NSHDSACASA-N 1 0 235.375 2.414 10 30 BEEERO [NH2+]=C(NC1CCC1)N[C@H]1CCC12CCCC2 ZINC000263161606 135340764 /nfs/dbraw/zinc/34/07/64/135340764.db2.gz QPSKVMNQYKPQCJ-NSHDSACASA-N 1 0 221.348 2.166 10 30 BEEERO C[C@@H](CCC#N)[NH2+][C@H](CO)c1ccccc1 ZINC000278503681 135368397 /nfs/dbraw/zinc/36/83/97/135368397.db2.gz AOUUVHXEIJRAIQ-WCQYABFASA-N 1 0 218.300 2.002 10 30 BEEERO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183099975 135542991 /nfs/dbraw/zinc/54/29/91/135542991.db2.gz UXUHEFNHEOPUFZ-DOMZBBRYSA-N 1 0 247.313 2.334 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000602883533 398082223 /nfs/dbraw/zinc/08/22/23/398082223.db2.gz JANQUPRLJACSAD-AGIUHOORSA-N 1 0 236.359 2.473 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000061891896 398107678 /nfs/dbraw/zinc/10/76/78/398107678.db2.gz OWAOGFLJDCKCSG-DZGCQCFKSA-N 1 0 226.323 2.436 10 30 BEEERO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891097 398108162 /nfs/dbraw/zinc/10/81/62/398108162.db2.gz HIXSZBURWSHQLG-GXTWGEPZSA-N 1 0 235.375 2.141 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000662954364 409988499 /nfs/dbraw/zinc/98/84/99/409988499.db2.gz VABIZIXXPJGZSV-RYUDHWBXSA-N 1 0 238.375 2.222 10 30 BEEERO C#CC[NH2+]CCN(C)[C@@H](C)c1ccccc1F ZINC000062020930 166187819 /nfs/dbraw/zinc/18/78/19/166187819.db2.gz KYNKVQTXVLMQCA-LBPRGKRZSA-N 1 0 234.318 2.041 10 30 BEEERO C#CC[NH2+]C[C@@H](C)N(Cc1cccs1)C1CC1 ZINC000053498220 166187942 /nfs/dbraw/zinc/18/79/42/166187942.db2.gz IVYGRKJLEIYMTG-GFCCVEGCSA-N 1 0 248.395 2.324 10 30 BEEERO C#CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000019875558 166191298 /nfs/dbraw/zinc/19/12/98/166191298.db2.gz PWHJDPJKZPZMNN-LLVKDONJSA-N 1 0 203.310 2.446 10 30 BEEERO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000166668538 166211133 /nfs/dbraw/zinc/21/11/33/166211133.db2.gz PPBSOWLHRKSMRQ-MRVPVSSYSA-N 1 0 238.674 2.360 10 30 BEEERO C=CCN(C(=O)CCCCC[NH3+])C1CCCC1 ZINC000037817648 166309216 /nfs/dbraw/zinc/30/92/16/166309216.db2.gz QFFSYYXDNNVNNE-UHFFFAOYSA-N 1 0 238.375 2.463 10 30 BEEERO C=CCN(C(=O)[C@H]([NH3+])CC(C)C)C1CCCC1 ZINC000037817672 166311102 /nfs/dbraw/zinc/31/11/02/166311102.db2.gz QHQHITFESLWRFE-CYBMUJFWSA-N 1 0 238.375 2.317 10 30 BEEERO C=CCN(C(=O)[C@](C)([NH3+])c1ccccc1)C(C)C ZINC000052882239 166312426 /nfs/dbraw/zinc/31/24/26/166312426.db2.gz KCXUKKOBSCMNAS-OAHLLOKOSA-N 1 0 246.354 2.284 10 30 BEEERO C=CCN(CC=C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052376443 166335901 /nfs/dbraw/zinc/33/59/01/166335901.db2.gz QYXARHSZWCKFQZ-UHFFFAOYSA-N 1 0 234.343 2.481 10 30 BEEERO C=CCN(CC=C)c1cc(C[NH2+]CC)ccn1 ZINC000051398948 166338103 /nfs/dbraw/zinc/33/81/03/166338103.db2.gz QSQSOGKLENIQAJ-UHFFFAOYSA-N 1 0 231.343 2.370 10 30 BEEERO C=CCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000032014912 166340854 /nfs/dbraw/zinc/34/08/54/166340854.db2.gz SGRSYEYJHWAWGI-UHFFFAOYSA-N 1 0 224.735 2.287 10 30 BEEERO C=CCN1C[C@@H]([NH3+])c2cc(Cl)ccc21 ZINC000039941583 166358146 /nfs/dbraw/zinc/35/81/46/166358146.db2.gz PZTVAEMSUMUMOW-SNVBAGLBSA-N 1 0 208.692 2.346 10 30 BEEERO C=CCOc1cc(C[NH3+])c2ccccc2n1 ZINC000051522598 166422778 /nfs/dbraw/zinc/42/27/78/166422778.db2.gz WVSYQYVJZRDIBC-UHFFFAOYSA-N 1 0 214.268 2.258 10 30 BEEERO CC(C)CN(CC[NH+](C)C)[C@@H]1CCC[C@@H]1C#N ZINC000042764752 166956622 /nfs/dbraw/zinc/95/66/22/166956622.db2.gz KFDBWTHCHONXBK-ZIAGYGMSSA-N 1 0 237.391 2.198 10 30 BEEERO CC(C)[NH2+]CCC(=O)Nc1cccc(F)c1C#N ZINC000037618341 167099133 /nfs/dbraw/zinc/09/91/33/167099133.db2.gz LWHPRAPATWCLBY-UHFFFAOYSA-N 1 0 249.289 2.024 10 30 BEEERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000049195884 167395316 /nfs/dbraw/zinc/39/53/16/167395316.db2.gz ICOUTGOOFDJTED-OAHLLOKOSA-N 1 0 245.370 2.234 10 30 BEEERO CC[N@@H+]1CC[C@H](CNc2nc(C)ccc2C#N)C1 ZINC000043395507 170016800 /nfs/dbraw/zinc/01/68/00/170016800.db2.gz RRUGAMFQXBIJDH-GFCCVEGCSA-N 1 0 244.342 2.015 10 30 BEEERO CC[NH2+]CCOc1c(C#N)cnc2ccccc21 ZINC000051869076 170116742 /nfs/dbraw/zinc/11/67/42/170116742.db2.gz JZVCGTKYGFACDE-UHFFFAOYSA-N 1 0 241.294 2.095 10 30 BEEERO CC[NH2+][C@H](C)c1nnc(-c2cccc(C#N)c2)o1 ZINC000050618764 170160289 /nfs/dbraw/zinc/16/02/89/170160289.db2.gz PNLCPYQYNIEYIU-SECBINFHSA-N 1 0 242.282 2.279 10 30 BEEERO CC[NH2+][C@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095091478 170169153 /nfs/dbraw/zinc/16/91/53/170169153.db2.gz XFVXPXRXMFLZJI-CABCVRRESA-N 1 0 244.338 2.115 10 30 BEEERO CCN[C@](C)(C#N)CCCn1cnc(C)c1C ZINC000051928059 170169466 /nfs/dbraw/zinc/16/94/66/170169466.db2.gz NKNPFIBFXPFKBS-ZDUSSCGKSA-N 1 0 234.347 2.172 10 30 BEEERO CCOCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034991393 170381505 /nfs/dbraw/zinc/38/15/05/170381505.db2.gz XSGHQQSYMSGITH-UHFFFAOYSA-N 1 0 248.326 2.105 10 30 BEEERO CCOCCC[NH2+]Cc1ccccc1C#N ZINC000020054981 170381889 /nfs/dbraw/zinc/38/18/89/170381889.db2.gz DTWPJAPLPSWLFD-UHFFFAOYSA-N 1 0 218.300 2.074 10 30 BEEERO CCOCC[N@H+](CC)[C@H]1CCC[C@@H]1C#N ZINC000104365012 170395873 /nfs/dbraw/zinc/39/58/73/170395873.db2.gz GICOMMIWBLQCNO-NEPJUHHUSA-N 1 0 210.321 2.037 10 30 BEEERO CCOc1cccc(C[C@@H]([NH3+])CC)c1OCC#N ZINC000037728610 170579772 /nfs/dbraw/zinc/57/97/72/170579772.db2.gz LHCTVWUGMSWSHW-LBPRGKRZSA-N 1 0 248.326 2.267 10 30 BEEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042479294 171046841 /nfs/dbraw/zinc/04/68/41/171046841.db2.gz VGYARSJTEJOZHB-YRGRVCCFSA-N 1 0 236.359 2.162 10 30 BEEERO CC[C@@H]1C[N@H+](CC2(C=O)CCCCC2)CCO1 ZINC000051176908 171076894 /nfs/dbraw/zinc/07/68/94/171076894.db2.gz PKZYYUJTOFJSBD-CYBMUJFWSA-N 1 0 239.359 2.247 10 30 BEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)C1 ZINC000662635814 412253087 /nfs/dbraw/zinc/25/30/87/412253087.db2.gz NKNOUBLKMHSLBP-JHJVBQTASA-N 1 0 238.375 2.175 10 30 BEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CCC ZINC000662842389 412318918 /nfs/dbraw/zinc/31/89/18/412318918.db2.gz NUWQQAHFJOFJRM-AGIUHOORSA-N 1 0 238.375 2.365 10 30 BEEERO CN(C)/C=[NH+]/C1=CC(=O)C[C@H](c2ccco2)C1 ZINC000072417027 172352044 /nfs/dbraw/zinc/35/20/44/172352044.db2.gz STFICSIKZQLWTI-GMROUXNLSA-N 1 0 232.283 2.200 10 30 BEEERO C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000042277167 173045525 /nfs/dbraw/zinc/04/55/25/173045525.db2.gz MYVKVIYKTJSFBO-ZDUSSCGKSA-N 1 0 215.300 2.064 10 30 BEEERO C[N@@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000075906574 173048329 /nfs/dbraw/zinc/04/83/29/173048329.db2.gz WTTCSLJBJDWDOC-ZDUSSCGKSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000104417582 173118377 /nfs/dbraw/zinc/11/83/77/173118377.db2.gz BEEQMORIDQZMFJ-JTQLQIEISA-N 1 0 233.290 2.061 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052904222 173125988 /nfs/dbraw/zinc/12/59/88/173125988.db2.gz KVBNKRODBXXYNU-SECBINFHSA-N 1 0 235.718 2.328 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 ZINC000061985342 173126070 /nfs/dbraw/zinc/12/60/70/173126070.db2.gz HPSIIGMUWGXGAY-LLVKDONJSA-N 1 0 235.718 2.328 10 30 BEEERO COc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1C#N ZINC000234957909 174986485 /nfs/dbraw/zinc/98/64/85/174986485.db2.gz MJVZREXXNIRYRQ-CABZTGNLSA-N 1 0 216.284 2.065 10 30 BEEERO COc1ccc(C)cc1C[NH+]1CCC(C=O)CC1 ZINC000054239405 175074700 /nfs/dbraw/zinc/07/47/00/175074700.db2.gz YMDUXJVKIYHGHZ-UHFFFAOYSA-N 1 0 247.338 2.415 10 30 BEEERO COc1ccc(CC[NH3+])c(OCCCCC#N)c1 ZINC000049579247 175090759 /nfs/dbraw/zinc/09/07/59/175090759.db2.gz JXGFSYMXSJYRIN-UHFFFAOYSA-N 1 0 248.326 2.269 10 30 BEEERO COc1ccc2ccccc2c1C#CC[NH3+] ZINC000038077873 175226043 /nfs/dbraw/zinc/22/60/43/175226043.db2.gz ZZQCDFFTLACHRA-UHFFFAOYSA-N 1 0 211.264 2.159 10 30 BEEERO COc1cccc(C[C@@H](C)[NH3+])c1OCCCC#N ZINC000037727697 175270811 /nfs/dbraw/zinc/27/08/11/175270811.db2.gz JSTMAESUGFMIOK-LLVKDONJSA-N 1 0 248.326 2.267 10 30 BEEERO C[C@@H](C#N)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732403 175598579 /nfs/dbraw/zinc/59/85/79/175598579.db2.gz DGLVYVREBJMUSF-ZANVPECISA-N 1 0 216.284 2.314 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1cccc(/C(N)=N/O)c1 ZINC000019479091 176074155 /nfs/dbraw/zinc/07/41/55/176074155.db2.gz GHMCNSDXSISWTG-LLVKDONJSA-N 1 0 247.342 2.156 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049615247 176109701 /nfs/dbraw/zinc/10/97/01/176109701.db2.gz KWDCKYCIWPPYAD-CYBMUJFWSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049613587 176174413 /nfs/dbraw/zinc/17/44/13/176174413.db2.gz UMGKMGSIFMCNSW-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1sccc1C#CCO ZINC000104413751 176391936 /nfs/dbraw/zinc/39/19/36/176391936.db2.gz MDTZJJNRWVZRRY-DGCLKSJQSA-N 1 0 249.379 2.180 10 30 BEEERO C[C@H](C#N)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732404 176555145 /nfs/dbraw/zinc/55/51/45/176555145.db2.gz DGLVYVREBJMUSF-RNCFNFMXSA-N 1 0 216.284 2.314 10 30 BEEERO C[C@H](C/C(N)=N/O)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599445 176591076 /nfs/dbraw/zinc/59/10/76/176591076.db2.gz VSNMATPETNQENZ-YPMHNXCESA-N 1 0 247.342 2.001 10 30 BEEERO C[C@H](c1ccc(C#N)cc1)N1CCC([NH3+])CC1 ZINC000026513497 177032611 /nfs/dbraw/zinc/03/26/11/177032611.db2.gz XFSIOMNTUYLQMB-LLVKDONJSA-N 1 0 229.327 2.042 10 30 BEEERO C[C@H]1CC[NH2+]C[C@H]1Nc1cccc(F)c1C#N ZINC000335657152 177175735 /nfs/dbraw/zinc/17/57/35/177175735.db2.gz MBFSTKUECCBAOU-TVQRCGJNSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000135471812 177262165 /nfs/dbraw/zinc/26/21/65/177262165.db2.gz QCIFENOROXOVLG-NSHDSACASA-N 1 0 232.352 2.496 10 30 BEEERO C=CCOc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091538460 322932524 /nfs/dbraw/zinc/93/25/24/322932524.db2.gz SELWPJMDEPBTTC-UHFFFAOYSA-N 1 0 247.338 2.112 10 30 BEEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399301995 267223825 /nfs/dbraw/zinc/22/38/25/267223825.db2.gz PBDUQQDYINNKAN-GWCFXTLKSA-N 1 0 248.301 2.043 10 30 BEEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)cc1 ZINC000082668130 269614596 /nfs/dbraw/zinc/61/45/96/269614596.db2.gz BWZJHIDJLRVKIR-CYBMUJFWSA-N 1 0 217.316 2.344 10 30 BEEERO CC#CC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134251809 323176950 /nfs/dbraw/zinc/17/69/50/323176950.db2.gz WSMOWGWACSTQHH-DOMZBBRYSA-N 1 0 229.323 2.334 10 30 BEEERO C#CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107162 487958944 /nfs/dbraw/zinc/95/89/44/487958944.db2.gz OMVBQGQPSRVXSR-GJZGRUSLSA-N 1 0 229.323 2.208 10 30 BEEERO CC1(C)C[NH2+]C[C@@H]1c1ccccc1C#N ZINC000536950839 323955215 /nfs/dbraw/zinc/95/52/15/323955215.db2.gz KZUDOEKUCQLJFN-GFCCVEGCSA-N 1 0 200.285 2.271 10 30 BEEERO C=C[C@@H](C)[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000123180852 324093942 /nfs/dbraw/zinc/09/39/42/324093942.db2.gz LLYBOVUJNBYWMH-SNVBAGLBSA-N 1 0 249.310 2.131 10 30 BEEERO CC(C)[NH2+]CCCNc1ccc(C#N)cc1 ZINC000567573569 326220442 /nfs/dbraw/zinc/22/04/42/326220442.db2.gz UBLSNYLXFTVNTL-UHFFFAOYSA-N 1 0 217.316 2.358 10 30 BEEERO COC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000309497206 487978310 /nfs/dbraw/zinc/97/83/10/487978310.db2.gz YSFOALZLPYVRJE-NSHDSACASA-N 1 0 237.730 2.316 10 30 BEEERO C=CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305646167 534532664 /nfs/dbraw/zinc/53/26/64/534532664.db2.gz AQOLDOYZFDDFQS-OLZOCXBDSA-N 1 0 209.333 2.188 10 30 BEEERO C=CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227357624 534854709 /nfs/dbraw/zinc/85/47/09/534854709.db2.gz SNFBJEUJVGMCSM-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO CC(C)(C#N)CCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000300120101 534980453 /nfs/dbraw/zinc/98/04/53/534980453.db2.gz LWQMDDXQOZAMOC-AWEZNQCLSA-N 1 0 249.402 2.486 10 30 BEEERO CC(C)[N@@H+](CCC(C)(C)C#N)C[C@H](C)O ZINC000120421562 535051879 /nfs/dbraw/zinc/05/18/79/535051879.db2.gz DNHJRLDODDHAEY-NSHDSACASA-N 1 0 212.337 2.017 10 30 BEEERO CC[NH+]=C(NCCc1ccco1)N[C@H]1CC1(C)C ZINC000262253311 535261609 /nfs/dbraw/zinc/26/16/09/535261609.db2.gz QUUURPCNCAXEAT-LBPRGKRZSA-N 1 0 249.358 2.176 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@](C)(CC)C1 ZINC000261699546 535265426 /nfs/dbraw/zinc/26/54/26/535265426.db2.gz FZOCIUGYJUFNIF-OUCADQQQSA-N 1 0 237.391 2.482 10 30 BEEERO C[C@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCCCC#N ZINC000757132996 582508811 /nfs/dbraw/zinc/50/88/11/582508811.db2.gz SIFCUJMVFFMROK-ZIAGYGMSSA-N 1 0 235.375 2.287 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CC=CC1 ZINC000119408920 589281936 /nfs/dbraw/zinc/28/19/36/589281936.db2.gz QWCGJLRDDZXCKG-CYBMUJFWSA-N 1 0 249.354 2.230 10 30 BEEERO CCCCNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000104162284 592602581 /nfs/dbraw/zinc/60/25/81/592602581.db2.gz IRZHNFIVTZENFA-OLZOCXBDSA-N 1 0 231.343 2.247 10 30 BEEERO C#CCCCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308364924 631305933 /nfs/dbraw/zinc/30/59/33/631305933.db2.gz KAUKXLJXRQMYEG-QWHCGFSZSA-N 1 0 221.344 2.337 10 30 BEEERO C=CCOCC[NH2+]CCc1ccccc1 ZINC000308782375 631646095 /nfs/dbraw/zinc/64/60/95/631646095.db2.gz DHDKFEUYRUKEAE-UHFFFAOYSA-N 1 0 205.301 2.021 10 30 BEEERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309728369 632661004 /nfs/dbraw/zinc/66/10/04/632661004.db2.gz DRYODPZOLNXWJW-XQHKEYJVSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236499529 632952414 /nfs/dbraw/zinc/95/24/14/632952414.db2.gz YHKFHFILSHUCTP-STQMWFEESA-N 1 0 224.348 2.211 10 30 BEEERO CCCCCCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000168853412 633149995 /nfs/dbraw/zinc/14/99/95/633149995.db2.gz TVZRBBGIYXVFMM-AWEZNQCLSA-N 1 0 243.391 2.430 10 30 BEEERO CC[NH+](CC)C[C@@H](C)NCC#Cc1ccccc1 ZINC000051814418 636025676 /nfs/dbraw/zinc/02/56/76/636025676.db2.gz MTWQJDSCZHIVON-OAHLLOKOSA-N 1 0 244.382 2.358 10 30 BEEERO CCCCCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309237467 633874606 /nfs/dbraw/zinc/87/46/06/633874606.db2.gz VRYQKILNXYCEQO-NEPJUHHUSA-N 1 0 226.364 2.295 10 30 BEEERO C[C@H]1C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092277613 633885576 /nfs/dbraw/zinc/88/55/76/633885576.db2.gz UIVARMQNFKXDHP-GXSJLCMTSA-N 1 0 209.337 2.022 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000320451142 636247910 /nfs/dbraw/zinc/24/79/10/636247910.db2.gz CJLWMSIZKVVLIS-NTSWFWBYSA-N 1 0 244.751 2.206 10 30 BEEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000110258779 636817280 /nfs/dbraw/zinc/81/72/80/636817280.db2.gz YSACNHACWCGCMK-NSHDSACASA-N 1 0 249.745 2.352 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000226608136 640779061 /nfs/dbraw/zinc/77/90/61/640779061.db2.gz OKPNWVXSOHLDQZ-RRFJBIMHSA-N 1 0 244.338 2.392 10 30 BEEERO C=C(Cl)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000175332584 642674056 /nfs/dbraw/zinc/67/40/56/642674056.db2.gz XBUMTZWHIGBGRE-NSHDSACASA-N 1 0 216.756 2.155 10 30 BEEERO C#CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000070245824 643004509 /nfs/dbraw/zinc/00/45/09/643004509.db2.gz IVGPZZBELNOPOM-UHFFFAOYSA-N 1 0 239.322 2.044 10 30 BEEERO C=CC[C@@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252912403 643139998 /nfs/dbraw/zinc/13/99/98/643139998.db2.gz KMWFMQICMWVQSF-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO CC(=O)[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000083638994 643600899 /nfs/dbraw/zinc/60/08/99/643600899.db2.gz JKKNGUAFIZBNDC-LBPRGKRZSA-N 1 0 222.332 2.227 10 30 BEEERO CC(C)([NH3+])CCNc1ccc(F)cc1C#N ZINC000304616890 644921880 /nfs/dbraw/zinc/92/18/80/644921880.db2.gz OOOHVBFSDRVSDH-UHFFFAOYSA-N 1 0 221.279 2.237 10 30 BEEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(F)cc1C#N ZINC000721869631 710689573 /nfs/dbraw/zinc/68/95/73/710689573.db2.gz XPNWWPWIFMYFHC-GFCCVEGCSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(Cl)cc1C#N ZINC000721986558 710694023 /nfs/dbraw/zinc/69/40/23/710694023.db2.gz XIXGNPUCHZIHTH-PRHODGIISA-N 1 0 235.718 2.231 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722328597 710707467 /nfs/dbraw/zinc/70/74/67/710707467.db2.gz AMRSBTYTDYSUQC-XUXIUFHCSA-N 1 0 234.343 2.226 10 30 BEEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C#N)cc1F ZINC000721868273 711792795 /nfs/dbraw/zinc/79/27/95/711792795.db2.gz UPQLRRWKMPYUAW-LBPRGKRZSA-N 1 0 233.290 2.107 10 30 BEEERO CCCCCCC[C@@](C)(C[NH3+])OCCO ZINC000232935878 711880897 /nfs/dbraw/zinc/88/08/97/711880897.db2.gz ISDVOSBAEQNTHA-LBPRGKRZSA-N 1 0 217.353 2.073 10 30 BEEERO COC1CC(C[NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000705490192 712132149 /nfs/dbraw/zinc/13/21/49/712132149.db2.gz PCUTYSKNEQUWQP-PYNQCMFNSA-N 1 0 222.332 2.083 10 30 BEEERO CCCCCCCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000705913260 712138840 /nfs/dbraw/zinc/13/88/40/712138840.db2.gz PUIVSVBPCDYYPL-NWDGAFQWSA-N 1 0 228.380 2.446 10 30 BEEERO CCCCCCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708156080 712183393 /nfs/dbraw/zinc/18/33/93/712183393.db2.gz UUOGCYDYJAABCM-CHWSQXEVSA-N 1 0 240.391 2.400 10 30 BEEERO CN(c1ccnc(C#N)c1)C1(C[NH3+])CCCCC1 ZINC000713294148 712458139 /nfs/dbraw/zinc/45/81/39/712458139.db2.gz AXRBGTHYHRHCIO-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO C#CC[C@@H](COC)[NH2+][C@@H]1CCc2ccccc21 ZINC000716933002 712597032 /nfs/dbraw/zinc/59/70/32/712597032.db2.gz GKBOJCNEGMLFQB-DZGCQCFKSA-N 1 0 229.323 2.302 10 30 BEEERO CC(=O)C[N+](C)(C)C/C=C/c1ccccc1 ZINC000006073631 717104209 /nfs/dbraw/zinc/10/42/09/717104209.db2.gz FSARRCRQIUTLLN-JXMROGBWSA-N 1 0 218.320 2.365 10 30 BEEERO CSC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000127470049 1167403412 /nfs/dbraw/zinc/40/34/12/1167403412.db2.gz KCUGBBGSWSIQBQ-LBPRGKRZSA-N 1 0 219.353 2.379 10 30 BEEERO C=C(Cl)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685959026 538906497 /nfs/dbraw/zinc/90/64/97/538906497.db2.gz IDEVMNPBALCQRN-UHFFFAOYSA-N 1 0 223.703 2.488 10 30 BEEERO CCC(C=O)(CC)C[N@H+](C)CCN1CCCC1 ZINC000063053445 168311276 /nfs/dbraw/zinc/31/12/76/168311276.db2.gz XNYZLZQDOQRZDV-UHFFFAOYSA-N 1 0 240.391 2.019 10 30 BEEERO C=CCCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962185 538909041 /nfs/dbraw/zinc/90/90/41/538909041.db2.gz XLQQXCXNQIXWFU-SWLSCSKDSA-N 1 0 247.338 2.454 10 30 BEEERO C=CCOc1ccccc1CNCCC[NH+](C)C ZINC000034991082 358451998 /nfs/dbraw/zinc/45/19/98/358451998.db2.gz MQFMMFZWAADLHI-UHFFFAOYSA-N 1 0 248.370 2.293 10 30 BEEERO CC#CCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745447 187324150 /nfs/dbraw/zinc/32/41/50/187324150.db2.gz HFTMKJJUAINJDF-VIFPVBQESA-N 1 0 207.248 2.248 10 30 BEEERO C=CCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000308785256 136216450 /nfs/dbraw/zinc/21/64/50/136216450.db2.gz FNFLWWVQVQAUKQ-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO Cc1ccc(C#N)c(NC[C@@H]2CCC[NH2+]2)c1 ZINC000053255423 178364764 /nfs/dbraw/zinc/36/47/64/178364764.db2.gz FJAIJIGZQKUTKJ-LBPRGKRZSA-N 1 0 215.300 2.031 10 30 BEEERO Cc1ccc(C#N)c(NCCC[NH2+]C2CC2)c1 ZINC000051581028 178365005 /nfs/dbraw/zinc/36/50/05/178365005.db2.gz LJUPSXLPJQSSHU-UHFFFAOYSA-N 1 0 229.327 2.421 10 30 BEEERO C#CC[C@H]([NH3+])c1cccc(Br)c1 ZINC000051074679 346830825 /nfs/dbraw/zinc/83/08/25/346830825.db2.gz WDYKYPKMJNFFJU-JTQLQIEISA-N 1 0 224.101 2.472 10 30 BEEERO N#C[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000000393858 342686169 /nfs/dbraw/zinc/68/61/69/342686169.db2.gz KMTKDSAEYAXGJJ-CYBMUJFWSA-N 1 0 200.285 2.293 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000320828470 342741636 /nfs/dbraw/zinc/74/16/36/342741636.db2.gz JXZULDMFUXVCLC-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000319949660 342731701 /nfs/dbraw/zinc/73/17/01/342731701.db2.gz BSWVKVCILAGQBC-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000320024854 342732520 /nfs/dbraw/zinc/73/25/20/342732520.db2.gz KJPJXBVRTIDBRF-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000320024846 342732536 /nfs/dbraw/zinc/73/25/36/342732536.db2.gz KJPJXBVRTIDBRF-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000381317611 538998241 /nfs/dbraw/zinc/99/82/41/538998241.db2.gz NPQIBQKRQUCMNW-NWDGAFQWSA-N 1 0 219.332 2.142 10 30 BEEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000381317613 538998320 /nfs/dbraw/zinc/99/83/20/538998320.db2.gz NPQIBQKRQUCMNW-VXGBXAGGSA-N 1 0 219.332 2.142 10 30 BEEERO C[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)cc1C#N ZINC000111302833 398302712 /nfs/dbraw/zinc/30/27/12/398302712.db2.gz GKUDVEIVDQIBBP-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO C=CC[N@H+]1CC[C@H](c2ccc(N)cc2)C1 ZINC000116481973 342927553 /nfs/dbraw/zinc/92/75/53/342927553.db2.gz IVPGTVRXDACOMU-LBPRGKRZSA-N 1 0 202.301 2.244 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000602829500 349766226 /nfs/dbraw/zinc/76/62/26/349766226.db2.gz JIFTZEKMCTWZFC-WOPDTQHZSA-N 1 0 222.332 2.083 10 30 BEEERO N#Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000034557728 346919160 /nfs/dbraw/zinc/91/91/60/346919160.db2.gz HXFMGRHVEYSXCZ-CYBMUJFWSA-N 1 0 230.311 2.469 10 30 BEEERO CC#CC[N@H+](C)Cc1cc2cc(O)ccc2n1C ZINC000013807943 343104520 /nfs/dbraw/zinc/10/45/20/343104520.db2.gz VJSXYTMXFSBYDX-UHFFFAOYSA-N 1 0 242.322 2.339 10 30 in-vivo BEEERO C=CCCCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000135973692 343197164 /nfs/dbraw/zinc/19/71/64/343197164.db2.gz CQGDJRLNSWLCIC-UHFFFAOYSA-N 1 0 246.354 2.226 10 30 BEEERO Cc1nc(N(C)CC[C@H]([NH3+])C(C)C)ccc1C#N ZINC000311231738 136275937 /nfs/dbraw/zinc/27/59/37/136275937.db2.gz GARZBICFFYZUHN-ZDUSSCGKSA-N 1 0 246.358 2.071 10 30 BEEERO Cc1ccc(C2(C#N)CC[NH2+]CC2)cc1 ZINC000039104886 343384282 /nfs/dbraw/zinc/38/42/82/343384282.db2.gz YJPRTJBXMSFKAH-UHFFFAOYSA-N 1 0 200.285 2.140 10 30 BEEERO Cc1ccc(NC2(C#N)CC[NH2+]CC2)cc1 ZINC000040695135 187264363 /nfs/dbraw/zinc/26/43/63/187264363.db2.gz OXRPEUKPCOHHPI-UHFFFAOYSA-N 1 0 215.300 2.053 10 30 BEEERO C=CC[NH2+]Cc1c[nH]c2ccc(OC)cc12 ZINC000083251133 187266737 /nfs/dbraw/zinc/26/67/37/187266737.db2.gz MHZUTPDDVZPRKR-UHFFFAOYSA-N 1 0 216.284 2.452 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330221176 537785947 /nfs/dbraw/zinc/78/59/47/537785947.db2.gz LJVVOTRZHLYVKR-DRZSPHRISA-N 1 0 247.342 2.262 10 30 BEEERO CC(C)(C=O)C[NH+]1Cc2ccccc2C1 ZINC000051177480 343623102 /nfs/dbraw/zinc/62/31/02/343623102.db2.gz JNLZYQVBSMOUCX-UHFFFAOYSA-N 1 0 203.285 2.227 10 30 BEEERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000049195887 187270010 /nfs/dbraw/zinc/27/00/10/187270010.db2.gz ICOUTGOOFDJTED-HNNXBMFYSA-N 1 0 245.370 2.234 10 30 BEEERO CC(C)OCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000159019611 346971729 /nfs/dbraw/zinc/97/17/29/346971729.db2.gz MEGNWLCRBLQDIK-RYUDHWBXSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402139227 349867680 /nfs/dbraw/zinc/86/76/80/349867680.db2.gz JMOJWAPKSXDRBR-FRRDWIJNSA-N 1 0 222.332 2.085 10 30 BEEERO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)OC ZINC000393463342 343878192 /nfs/dbraw/zinc/87/81/92/343878192.db2.gz BVINYUSVBAVCLW-JHJVBQTASA-N 1 0 224.348 2.473 10 30 BEEERO C#CC[NH2+]Cc1ccccc1OCCC ZINC000045945336 187356232 /nfs/dbraw/zinc/35/62/32/187356232.db2.gz BWTAJEHDERSVGQ-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO C=C(CC)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000313485619 344079869 /nfs/dbraw/zinc/07/98/69/344079869.db2.gz SLZDDHGROJWHPD-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO CCCCCCC[NH2+][C@@H]1COC[C@H]1F ZINC000616581534 344254962 /nfs/dbraw/zinc/25/49/62/344254962.db2.gz YCKRKVKSTYACLC-GHMZBOCLSA-N 1 0 203.301 2.283 10 30 BEEERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000234829904 344271633 /nfs/dbraw/zinc/27/16/33/344271633.db2.gz ULAFTRGBZIMZMX-YVECIDJPSA-N 1 0 222.332 2.226 10 30 BEEERO CC[C@H]1CN(c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251820877 344440977 /nfs/dbraw/zinc/44/09/77/344440977.db2.gz PFNUTQLTAJUJME-GXTWGEPZSA-N 1 0 229.327 2.122 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825914 344472238 /nfs/dbraw/zinc/47/22/38/344472238.db2.gz GOLAIMCTPBTUOD-RWMBFGLXSA-N 1 0 222.332 2.085 10 30 BEEERO C#CCC[C@H]([NH3+])c1ccc(Br)o1 ZINC000127893995 344677335 /nfs/dbraw/zinc/67/73/35/344677335.db2.gz FUHIOFQAKVKILW-ZETCQYMHSA-N 1 0 228.089 2.455 10 30 BEEERO CC[C@@H]1CN(Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000104134765 187291963 /nfs/dbraw/zinc/29/19/63/187291963.db2.gz BVHIDFLJVAYDIQ-OAHLLOKOSA-N 1 0 243.354 2.084 10 30 BEEERO C=C(Br)C[NH2+]C[C@@H]1CCCCO1 ZINC000042820122 187292596 /nfs/dbraw/zinc/29/25/96/187292596.db2.gz MYSBBZMGENHQCO-VIFPVBQESA-N 1 0 234.137 2.054 10 30 BEEERO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000135667306 344842171 /nfs/dbraw/zinc/84/21/71/344842171.db2.gz XUUPIANMSVSVEI-ZDUSSCGKSA-N 1 0 238.375 2.285 10 30 BEEERO C=CCCCN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000135972890 344950593 /nfs/dbraw/zinc/95/05/93/344950593.db2.gz CBAJXUVPPLXQOW-ZDUSSCGKSA-N 1 0 238.375 2.191 10 30 BEEERO Cc1ccc(O[C@@H](C)C#N)c([C@@H](C)[NH3+])c1 ZINC000043513693 178818232 /nfs/dbraw/zinc/81/82/32/178818232.db2.gz UGNLTMLYIWKDAV-VHSXEESVSA-N 1 0 204.273 2.306 10 30 BEEERO CC(C)(C#N)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252693216 534988003 /nfs/dbraw/zinc/98/80/03/534988003.db2.gz IGPXALBTVPTFDY-ZDUSSCGKSA-N 1 0 235.375 2.096 10 30 BEEERO C=C(Br)C[NH2+]C1(C)CCC1 ZINC000228852784 345408697 /nfs/dbraw/zinc/40/86/97/345408697.db2.gz MAGJRUAACPGECQ-UHFFFAOYSA-N 1 0 204.111 2.427 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336232665 346202978 /nfs/dbraw/zinc/20/29/78/346202978.db2.gz DWLTYGBZLDDVTL-UWVGGRQHSA-N 1 0 214.259 2.314 10 30 BEEERO O=C(CC1CC[NH2+]CC1)C1=CCCCC1 ZINC000236388995 346233576 /nfs/dbraw/zinc/23/35/76/346233576.db2.gz UPJBVWUGDSWXSB-UHFFFAOYSA-N 1 0 207.317 2.446 10 30 BEEERO Cc1cccc(C[NH+]2CCC(=NO)CC2)c1 ZINC000019516381 179074473 /nfs/dbraw/zinc/07/44/73/179074473.db2.gz ZLZRAYYSDDFZEF-UHFFFAOYSA-N 1 0 218.300 2.421 10 30 BEEERO Cc1cccc(OCCC[NH2+]CCS)c1 ZINC000096328061 179166731 /nfs/dbraw/zinc/16/67/31/179166731.db2.gz BONZIMUYFDIFMX-UHFFFAOYSA-N 1 0 225.357 2.283 10 30 BEEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401581465 347156853 /nfs/dbraw/zinc/15/68/53/347156853.db2.gz KIVCDXUPWKJYGE-IAQYHMDHSA-N 1 0 244.338 2.069 10 30 BEEERO CC[NH+](CC)CC#Cc1ccc(C#N)cc1 ZINC000059126714 347227147 /nfs/dbraw/zinc/22/71/47/347227147.db2.gz PUABJUYSXUBKAW-UHFFFAOYSA-N 1 0 212.296 2.252 10 30 BEEERO Cc1ccccc1[C@@H](C#N)NCCC[NH+](C)C ZINC000019987243 179316503 /nfs/dbraw/zinc/31/65/03/179316503.db2.gz ZHNSDOHBOKCARE-CQSZACIVSA-N 1 0 231.343 2.101 10 30 BEEERO C#CC[NH2+]Cc1csc(Br)c1 ZINC000036867704 347954433 /nfs/dbraw/zinc/95/44/33/347954433.db2.gz ZPRUHQUFSAGWMY-UHFFFAOYSA-N 1 0 230.130 2.233 10 30 BEEERO C=CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000036904512 347970030 /nfs/dbraw/zinc/97/00/30/347970030.db2.gz DTDVSPIWKNCVRR-HNNXBMFYSA-N 1 0 230.355 2.427 10 30 BEEERO Cc1ccccc1[C@H](C[NH3+])N(C)C[C@@H](C)C#N ZINC000043037063 179342899 /nfs/dbraw/zinc/34/28/99/179342899.db2.gz GSXLBGRHGJDSIO-FZMZJTMJSA-N 1 0 231.343 2.086 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000595689252 348315064 /nfs/dbraw/zinc/31/50/64/348315064.db2.gz KSRQRLMVSBBSEE-YPMHNXCESA-N 1 0 222.332 2.227 10 30 BEEERO CC(C)[C@H]([NH3+])CCNc1cccc(F)c1C#N ZINC000596029900 348426243 /nfs/dbraw/zinc/42/62/43/348426243.db2.gz DHAPPVKTDASSRN-GFCCVEGCSA-N 1 0 235.306 2.483 10 30 BEEERO C[NH2+]C[C@@H](C)Nc1cc(Cl)ccc1C#N ZINC000596031176 348426582 /nfs/dbraw/zinc/42/65/82/348426582.db2.gz AWNTTWSYLMWJJE-MRVPVSSYSA-N 1 0 223.707 2.231 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597196584 348673103 /nfs/dbraw/zinc/67/31/03/348673103.db2.gz RZJRIEKPYHZZRW-XDQVBPFNSA-N 1 0 234.343 2.226 10 30 BEEERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CO1 ZINC000597197779 348673780 /nfs/dbraw/zinc/67/37/80/348673780.db2.gz YXPOKGKUTBFUET-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)OC ZINC000308960503 349202694 /nfs/dbraw/zinc/20/26/94/349202694.db2.gz FYZUOZXMCLINSS-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CCCCO1 ZINC000382265347 349398402 /nfs/dbraw/zinc/39/84/02/349398402.db2.gz LUCZLWSVCNMQGR-WUHRBBMRSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CCCCO1 ZINC000382265334 349398468 /nfs/dbraw/zinc/39/84/68/349398468.db2.gz LUCZLWSVCNMQGR-UMSGYPCISA-N 1 0 222.332 2.226 10 30 BEEERO C=C[C@]1(O)C[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]21 ZINC000039192319 350113343 /nfs/dbraw/zinc/11/33/43/350113343.db2.gz DNTLHLDYMDJBDF-LOWDOPEQSA-N 1 0 209.333 2.186 10 30 BEEERO C=C1CC[C@H]2C(=C3CC=CC=C3[N@@H+]2C)C1=O ZINC000220565129 350176236 /nfs/dbraw/zinc/17/62/36/350176236.db2.gz KYASXAOJLSBWBZ-LBPRGKRZSA-N 1 0 213.280 2.360 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616604971 350794212 /nfs/dbraw/zinc/79/42/12/350794212.db2.gz IAQCNIZTDFERKR-CQSZACIVSA-N 1 0 243.354 2.086 10 30 BEEERO CC[N@@H+]1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616609814 350806715 /nfs/dbraw/zinc/80/67/15/350806715.db2.gz CMPQQHYNVCUHCT-ZDUSSCGKSA-N 1 0 200.285 2.367 10 30 BEEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000159793495 350997707 /nfs/dbraw/zinc/99/77/07/350997707.db2.gz NDGGSMXIJSQXTC-ZDUSSCGKSA-N 1 0 244.338 2.071 10 30 BEEERO C(C[N@@H+]1CCC2(C1)CCCCC2)[C@H]1CO1 ZINC000306769915 351000308 /nfs/dbraw/zinc/00/03/08/351000308.db2.gz BOHZNXRXHHYSBS-LBPRGKRZSA-N 1 0 209.333 2.432 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccccc2C#N)C1 ZINC000616632523 351111995 /nfs/dbraw/zinc/11/19/95/351111995.db2.gz KWGGEFZQRGWHLG-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCC[NH2+]C1 ZINC000616625735 351094768 /nfs/dbraw/zinc/09/47/68/351094768.db2.gz WWSGCVNVVXEIJM-GFCCVEGCSA-N 1 0 200.285 2.415 10 30 BEEERO CC[N@@H+]1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616650183 351173441 /nfs/dbraw/zinc/17/34/41/351173441.db2.gz ZJEGGIYKSOGYSD-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC(C)N1CCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616638523 351139642 /nfs/dbraw/zinc/13/96/42/351139642.db2.gz WMLCSKQYBZWBEW-CQSZACIVSA-N 1 0 230.311 2.340 10 30 BEEERO CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616666409 351226690 /nfs/dbraw/zinc/22/66/90/351226690.db2.gz RJZQXNNAEDOGBS-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO Cc1ccnc(N(C)CC[C@H]([NH3+])C(C)C)c1C#N ZINC000133574028 351310850 /nfs/dbraw/zinc/31/08/50/351310850.db2.gz KJCNMGPLRCDAPQ-ZDUSSCGKSA-N 1 0 246.358 2.071 10 30 BEEERO CN/C(=[NH+]\C)SC[C@H]1CCCC1(F)F ZINC000306971914 351393490 /nfs/dbraw/zinc/39/34/90/351393490.db2.gz KOWZFCKSPRUEMJ-SSDOTTSWSA-N 1 0 222.304 2.360 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CC12CCOCC2 ZINC000307024292 351433680 /nfs/dbraw/zinc/43/36/80/351433680.db2.gz WASCQDIEJDEODN-SECBINFHSA-N 1 0 246.148 2.054 10 30 BEEERO C#C[C@@H]([NH3+])c1cscc1Br ZINC000404776727 363065834 /nfs/dbraw/zinc/06/58/34/363065834.db2.gz FWUBVQFOFDWIJN-SSDOTTSWSA-N 1 0 216.103 2.144 10 30 BEEERO C=C([C@H]([NH3+])[C@H]1CCCCO1)C(F)(F)F ZINC000307189625 351589918 /nfs/dbraw/zinc/58/99/18/351589918.db2.gz VGPQYRHZMODAOM-SFYZADRCSA-N 1 0 209.211 2.001 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000276274865 351613751 /nfs/dbraw/zinc/61/37/51/351613751.db2.gz DQNCYJYWGBHIBE-YPMHNXCESA-N 1 0 232.331 2.249 10 30 BEEERO CC(C)=CC(=O)[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000307309860 351952621 /nfs/dbraw/zinc/95/26/21/351952621.db2.gz XYADGAGTZSIKOT-QJPTWQEYSA-N 1 0 207.317 2.300 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638453899 352266533 /nfs/dbraw/zinc/26/65/33/352266533.db2.gz BSCUGVDSKOZXLY-RYUDHWBXSA-N 1 0 238.375 2.222 10 30 BEEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000335846327 187647026 /nfs/dbraw/zinc/64/70/26/187647026.db2.gz ZXJRSHAOUNLDQD-SFYZADRCSA-N 1 0 223.707 2.359 10 30 BEEERO C=C(Br)COC[C@H]1CCCC[NH2+]1 ZINC000051816033 187638921 /nfs/dbraw/zinc/63/89/21/187638921.db2.gz DJJNMBQRQFAYMU-SECBINFHSA-N 1 0 234.137 2.054 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CCOCC ZINC000037269050 358471476 /nfs/dbraw/zinc/47/14/76/358471476.db2.gz SSEJERJXLSWIFW-UHFFFAOYSA-N 1 0 235.327 2.378 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300361529 352560254 /nfs/dbraw/zinc/56/02/54/352560254.db2.gz GQBWABPKHNOAHS-AVGNSLFASA-N 1 0 222.332 2.085 10 30 BEEERO C[C@@H](C[NH3+])CNc1ccc(Cl)cc1C#N ZINC000420222443 192176874 /nfs/dbraw/zinc/17/68/74/192176874.db2.gz WVSIMAUSLBOLDR-QMMMGPOBSA-N 1 0 223.707 2.218 10 30 BEEERO CC1(C#N)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383425196 352954519 /nfs/dbraw/zinc/95/45/19/352954519.db2.gz BAYWAUWHJSXBRA-OLZOCXBDSA-N 1 0 236.359 2.163 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])CCC ZINC000638874133 353044334 /nfs/dbraw/zinc/04/43/34/353044334.db2.gz FTZZWCOASAQZHN-NSHDSACASA-N 1 0 226.364 2.222 10 30 BEEERO C#C[C@@H]([NH3+])c1c(C)cccc1Br ZINC000307712675 353106805 /nfs/dbraw/zinc/10/68/05/353106805.db2.gz XSYXKFNBQIYWSJ-SECBINFHSA-N 1 0 224.101 2.391 10 30 BEEERO C=CCn1c2ccccc2nc1[C@H](C)[NH3+] ZINC000019734257 188003558 /nfs/dbraw/zinc/00/35/58/188003558.db2.gz JVUQMALHQSVZOB-VIFPVBQESA-N 1 0 201.273 2.242 10 30 BEEERO CC#CCOc1cc(OCCC)ccc1C[NH3+] ZINC000051662506 188046146 /nfs/dbraw/zinc/04/61/46/188046146.db2.gz FLULXHFDEASPTB-UHFFFAOYSA-N 1 0 233.311 2.336 10 30 BEEERO CC(C)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049616535 188046370 /nfs/dbraw/zinc/04/63/70/188046370.db2.gz CEEYUJNQLMERJL-UHFFFAOYSA-N 1 0 235.302 2.010 10 30 BEEERO C=CC[NH2+]C[C@H](C)N(C)Cc1cccc(F)c1 ZINC000053488744 188046967 /nfs/dbraw/zinc/04/69/67/188046967.db2.gz ONSKWGCWPIKAPC-LBPRGKRZSA-N 1 0 236.334 2.422 10 30 BEEERO C#CCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399558 188047428 /nfs/dbraw/zinc/04/74/28/188047428.db2.gz HLMHIQIRDQFAEV-UHFFFAOYSA-N 1 0 243.228 2.219 10 30 BEEERO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052272485 353192821 /nfs/dbraw/zinc/19/28/21/353192821.db2.gz STATYGXDTLHLPL-WCQYABFASA-N 1 0 215.296 2.197 10 30 BEEERO C=C(Br)CN1CCS[C@@H](C)C1 ZINC000170901333 188251745 /nfs/dbraw/zinc/25/17/45/188251745.db2.gz UACLPWKJNNWVFU-QMMMGPOBSA-N 1 0 236.178 2.332 10 30 BEEERO C=C(Cl)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178292896 188252874 /nfs/dbraw/zinc/25/28/74/188252874.db2.gz NBZTYYPRZVSTFL-LBPRGKRZSA-N 1 0 239.750 2.408 10 30 BEEERO C#CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000037704133 188255311 /nfs/dbraw/zinc/25/53/11/188255311.db2.gz ZENZDGDPUIPSOL-UHFFFAOYSA-N 1 0 203.285 2.197 10 30 BEEERO CC(C)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846871 188281766 /nfs/dbraw/zinc/28/17/66/188281766.db2.gz OYTJGXQGEVBKNU-UHFFFAOYSA-N 1 0 245.326 2.227 10 30 BEEERO CN/C(Cc1c(O)ccc2ccccc21)=[NH+]\C ZINC000029417017 188283790 /nfs/dbraw/zinc/28/37/90/188283790.db2.gz KUTYYYHMZZZKDM-UHFFFAOYSA-N 1 0 228.295 2.336 10 30 BEEERO COc1ccc(C[C@H](C)[NH3+])cc1OCCCC#N ZINC000037728102 188288717 /nfs/dbraw/zinc/28/87/17/188288717.db2.gz DQLIBBIBHMLSNJ-NSHDSACASA-N 1 0 248.326 2.267 10 30 BEEERO N#CCCCCOc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000049578192 188298678 /nfs/dbraw/zinc/29/86/78/188298678.db2.gz UQCXYFHZQGTKTC-UHFFFAOYSA-N 1 0 249.270 2.126 10 30 BEEERO C#C[C@H]([NH3+])c1cccc(F)c1Br ZINC000130292177 353345806 /nfs/dbraw/zinc/34/58/06/353345806.db2.gz XSNHHIGRZQANOO-QMMMGPOBSA-N 1 0 228.064 2.221 10 30 BEEERO Cc1ccc([C@@H](C)[NH2+]CCC#N)c(O)c1 ZINC000020200141 188351929 /nfs/dbraw/zinc/35/19/29/188351929.db2.gz TVSDQBMFRWRFQX-SNVBAGLBSA-N 1 0 204.273 2.265 10 30 BEEERO Cc1ccc(C#N)cc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628522 188355058 /nfs/dbraw/zinc/35/50/58/188355058.db2.gz OIKWROGWVWOHEY-AGUYFDCRSA-N 1 0 241.338 2.325 10 30 BEEERO C#CCn1c(N)c([C@H]2CCCOC2)[nH+]c1C(C)C ZINC000104321133 188399042 /nfs/dbraw/zinc/39/90/42/188399042.db2.gz AERMXJICDKVVSR-NSHDSACASA-N 1 0 247.342 2.116 10 30 BEEERO CC(C)[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049616516 188399764 /nfs/dbraw/zinc/39/97/64/188399764.db2.gz RBBREGSBWFZGIN-UHFFFAOYSA-N 1 0 249.329 2.400 10 30 BEEERO Fc1cccc2c1[C@@H](CCS)[NH2+]CC2 ZINC000083730192 181007423 /nfs/dbraw/zinc/00/74/23/181007423.db2.gz JWSVQULDQCHDAT-SNVBAGLBSA-N 1 0 211.305 2.332 10 30 BEEERO CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000383535542 353889380 /nfs/dbraw/zinc/88/93/80/353889380.db2.gz JFYUPXFOZHXJPQ-CHWSQXEVSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000383535549 353890266 /nfs/dbraw/zinc/89/02/66/353890266.db2.gz JFYUPXFOZHXJPQ-QWHCGFSZSA-N 1 0 224.348 2.473 10 30 BEEERO N#C[C@@H](c1cccc(Cl)c1)N1CCC[NH2+]CC1 ZINC000037940468 181057896 /nfs/dbraw/zinc/05/78/96/181057896.db2.gz WXSWEUMOZKMPGG-ZDUSSCGKSA-N 1 0 249.745 2.200 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000054827346 181058303 /nfs/dbraw/zinc/05/83/03/181058303.db2.gz CMFCFLBHCFUQSR-KBPBESRZSA-N 1 0 235.375 2.144 10 30 BEEERO C=CCOc1ccccc1C[NH2+]C[C@H](C)N(C)C ZINC000038087539 358482745 /nfs/dbraw/zinc/48/27/45/358482745.db2.gz GXPNCZCHDZTCHN-ZDUSSCGKSA-N 1 0 248.370 2.291 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000054825938 181067764 /nfs/dbraw/zinc/06/77/64/181067764.db2.gz HRUQPDAXOUMECB-YPMHNXCESA-N 1 0 218.300 2.494 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000054825934 181068596 /nfs/dbraw/zinc/06/85/96/181068596.db2.gz HQKAVHCXSBXQRW-PWSUYJOCSA-N 1 0 204.273 2.104 10 30 BEEERO N#C[C@H]1CCC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979975 181068928 /nfs/dbraw/zinc/06/89/28/181068928.db2.gz CFFDFNXNAIWUGX-QLFBSQMISA-N 1 0 247.386 2.239 10 30 BEEERO N#Cc1cc(F)ccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335583428 181087991 /nfs/dbraw/zinc/08/79/91/181087991.db2.gz YOSOKQVIWFMIFM-JOYOIKCWSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000029550184 181102304 /nfs/dbraw/zinc/10/23/04/181102304.db2.gz IEICKCOJPJKAPF-AWEZNQCLSA-N 1 0 214.312 2.490 10 30 BEEERO N#Cc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000035571872 181110895 /nfs/dbraw/zinc/11/08/95/181110895.db2.gz JHGVMDAVJMSXHW-ZDUSSCGKSA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1ccc(CNC2=[NH+]CCCS2)cc1 ZINC000051354687 181107054 /nfs/dbraw/zinc/10/70/54/181107054.db2.gz AXVXHXQDCGCXPV-UHFFFAOYSA-N 1 0 231.324 2.141 10 30 BEEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791393 181122372 /nfs/dbraw/zinc/12/23/72/181122372.db2.gz AZKDJRGKTVWBEC-JTQLQIEISA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1ccc(F)c(COCC2CC[NH2+]CC2)c1 ZINC000051815067 181112791 /nfs/dbraw/zinc/11/27/91/181112791.db2.gz ZCUTUMGKARHPOI-UHFFFAOYSA-N 1 0 248.301 2.214 10 30 BEEERO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042821022 181112959 /nfs/dbraw/zinc/11/29/59/181112959.db2.gz TWBYMMBTCYQLCD-CYBMUJFWSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750511 181117326 /nfs/dbraw/zinc/11/73/26/181117326.db2.gz LTTKZLHEQITEDL-QXMXGUDHSA-N 1 0 227.311 2.017 10 30 BEEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC000044493193 181123915 /nfs/dbraw/zinc/12/39/15/181123915.db2.gz SKFCWWOBTNFDIC-CYBMUJFWSA-N 1 0 215.300 2.112 10 30 BEEERO N#Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC000037412580 181126011 /nfs/dbraw/zinc/12/60/11/181126011.db2.gz HZMYQMSTBNJWAX-AWEZNQCLSA-N 1 0 245.301 2.203 10 30 BEEERO N#Cc1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000043568757 181126473 /nfs/dbraw/zinc/12/64/73/181126473.db2.gz QXXMQMZSEXDSQI-UHFFFAOYSA-N 1 0 210.240 2.279 10 30 BEEERO N#Cc1ccccc1CN1CCCC[C@H]1C=O ZINC000054237955 181145703 /nfs/dbraw/zinc/14/57/03/181145703.db2.gz RBAKGXQPADYZMO-AWEZNQCLSA-N 1 0 228.295 2.112 10 30 BEEERO N#Cc1ccccc1C[C@H]1CCC[NH2+]C1 ZINC000035571884 181147222 /nfs/dbraw/zinc/14/72/22/181147222.db2.gz SLQIBPXGJSEYHN-LLVKDONJSA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1ccccc1NC(=O)C1(C[NH3+])CCCC1 ZINC000077393358 181148453 /nfs/dbraw/zinc/14/84/53/181148453.db2.gz JIEPBFVZIQHKLD-UHFFFAOYSA-N 1 0 243.310 2.016 10 30 BEEERO CO[C@](C)(C[NH2+][C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000383658230 354804385 /nfs/dbraw/zinc/80/43/85/354804385.db2.gz FUNSFEFARSGJFX-FPMFFAJLSA-N 1 0 236.359 2.473 10 30 BEEERO N#CC1(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CCC1 ZINC000335160027 354867591 /nfs/dbraw/zinc/86/75/91/354867591.db2.gz TZJKQPKXZRVLOV-QWHCGFSZSA-N 1 0 246.354 2.181 10 30 BEEERO COC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000234565130 363425054 /nfs/dbraw/zinc/42/50/54/363425054.db2.gz GWBGEKMFSOLOEL-MNOVXSKESA-N 1 0 210.321 2.083 10 30 BEEERO COCCCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000234623484 363426081 /nfs/dbraw/zinc/42/60/81/363426081.db2.gz BVALMMDHOOAJGA-VXGBXAGGSA-N 1 0 210.321 2.085 10 30 BEEERO N#Cc1ccnc(SC[C@H]2CCC[NH2+]C2)c1 ZINC000095072096 181158421 /nfs/dbraw/zinc/15/84/21/181158421.db2.gz KIKSVBSKHMGPNY-NSHDSACASA-N 1 0 233.340 2.045 10 30 BEEERO CC1(C#N)CCN(CCC[NH+]2CCCC2)CC1 ZINC000227352727 535275264 /nfs/dbraw/zinc/27/52/64/535275264.db2.gz MRTFXBLJLXFBGG-UHFFFAOYSA-N 1 0 235.375 2.098 10 30 BEEERO N#Cc1ncccc1C[NH2+]C1CCCCC1 ZINC000061656784 181170810 /nfs/dbraw/zinc/17/08/10/181170810.db2.gz ACCXAENWZDYJLW-UHFFFAOYSA-N 1 0 215.300 2.376 10 30 BEEERO [NH2+]=C(N[C@@H]1C[C@@H]1c1ccccc1)NC1CCCC1 ZINC000203048602 134153070 /nfs/dbraw/zinc/15/30/70/134153070.db2.gz FKEZVVQLXDAJKP-ZIAGYGMSSA-N 1 0 243.354 2.389 10 30 BEEERO CC1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060182 538486193 /nfs/dbraw/zinc/48/61/93/538486193.db2.gz TUWDJWUBUHMBPR-PYNQCMFNSA-N 1 0 209.333 2.237 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035139658 134161794 /nfs/dbraw/zinc/16/17/94/134161794.db2.gz GCKPNSKLOOFPJO-UWVGGRQHSA-N 1 0 238.356 2.089 10 30 BEEERO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000124134300 358513655 /nfs/dbraw/zinc/51/36/55/358513655.db2.gz JCYFIRXICQNHPI-STQMWFEESA-N 1 0 237.391 2.198 10 30 BEEERO C#C[C@H]([NH2+]CC)[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300031778 357174494 /nfs/dbraw/zinc/17/44/94/357174494.db2.gz UJNADOJFVZNFBI-ZNSHCXBVSA-N 1 0 229.414 2.223 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1(CC#N)CC1 ZINC000094446050 357511038 /nfs/dbraw/zinc/51/10/38/357511038.db2.gz WNSIQDTVJRUVSS-UONOGXRCSA-N 1 0 247.386 2.239 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263280703 535390183 /nfs/dbraw/zinc/39/01/83/535390183.db2.gz RUKYLERUTLDBEU-NSHDSACASA-N 1 0 223.364 2.366 10 30 BEEERO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000351224312 358163442 /nfs/dbraw/zinc/16/34/42/358163442.db2.gz JZYXMOSXSYDLTJ-KGLIPLIRSA-N 1 0 242.322 2.421 10 30 BEEERO O=CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000038975552 358213475 /nfs/dbraw/zinc/21/34/75/358213475.db2.gz DRYIPODEYSOUMK-UHFFFAOYSA-N 1 0 221.275 2.237 10 30 BEEERO C[NH+](C)CC[C@@]1(C#N)CCC(=O)c2ccccc21 ZINC000584620689 358288114 /nfs/dbraw/zinc/28/81/14/358288114.db2.gz UNSJFABOCRXPEI-OAHLLOKOSA-N 1 0 242.322 2.376 10 30 BEEERO C/C(Cc1ccccc1)=N\NC[C@H](C)C[NH+](C)C ZINC000584627626 358297399 /nfs/dbraw/zinc/29/73/99/358297399.db2.gz BVKJWLVAIXFGPG-CQQXOOPHSA-N 1 0 247.386 2.392 10 30 BEEERO C[N@@H+](CC#CCCC=O)CCc1ccccc1 ZINC000584636355 358321109 /nfs/dbraw/zinc/32/11/09/358321109.db2.gz KMHPGLALIOBRPU-UHFFFAOYSA-N 1 0 229.323 2.143 10 30 BEEERO COc1ccccc1OCC[NH2+]CCCCC#N ZINC000584642201 358327695 /nfs/dbraw/zinc/32/76/95/358327695.db2.gz YIOOSSPTNDQLKQ-UHFFFAOYSA-N 1 0 248.326 2.357 10 30 BEEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000229694681 358406948 /nfs/dbraw/zinc/40/69/48/358406948.db2.gz DQHRZCQBTCUDDI-VXGBXAGGSA-N 1 0 224.348 2.209 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124645579 358521969 /nfs/dbraw/zinc/52/19/69/358521969.db2.gz RUULJQABLFHPDD-ZNMIVQPWSA-N 1 0 235.371 2.415 10 30 BEEERO N#CCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043425433 358538311 /nfs/dbraw/zinc/53/83/11/358538311.db2.gz RWGUZYXRMIJPLC-CHWSQXEVSA-N 1 0 222.332 2.324 10 30 BEEERO CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCO1 ZINC000219517173 134285413 /nfs/dbraw/zinc/28/54/13/134285413.db2.gz MNDDHDVJMIDBFB-ZDUSSCGKSA-N 1 0 248.301 2.308 10 30 BEEERO C#C[C@@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000130179715 358692528 /nfs/dbraw/zinc/69/25/28/358692528.db2.gz VHGNNXBDZFXYJS-MRVPVSSYSA-N 1 0 209.339 2.170 10 30 BEEERO C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@](N)(C#N)C1 ZINC000403386661 358944284 /nfs/dbraw/zinc/94/42/84/358944284.db2.gz GNXNWHLJDILBAO-GJZGRUSLSA-N 1 0 243.354 2.282 10 30 BEEERO C=C[C@H]([NH3+])[C@H]1SCCS[C@@H]1CC ZINC000228141932 358994948 /nfs/dbraw/zinc/99/49/48/358994948.db2.gz RQQOLNNHYLNKIA-DJLDLDEBSA-N 1 0 203.376 2.127 10 30 BEEERO CC(C)(C#N)CCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248325377 359263159 /nfs/dbraw/zinc/26/31/59/359263159.db2.gz BESMCDTZUNCORY-AWEZNQCLSA-N 1 0 249.402 2.486 10 30 BEEERO C#C[C@H]([NH3+])c1sccc1Br ZINC000130311515 359341230 /nfs/dbraw/zinc/34/12/30/359341230.db2.gz AOVZPVQBWHPHFR-LURJTMIESA-N 1 0 216.103 2.144 10 30 BEEERO C[NH2+]C1(C(=O)CC#CC(C)(C)C)CCC1 ZINC000306524763 360369337 /nfs/dbraw/zinc/36/93/37/360369337.db2.gz ZZMCHTKSGMONGC-UHFFFAOYSA-N 1 0 207.317 2.137 10 30 BEEERO C=C(C)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000162004892 361085565 /nfs/dbraw/zinc/08/55/65/361085565.db2.gz NAYKGKPTWZXCFA-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO C=CCCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000162125869 361337137 /nfs/dbraw/zinc/33/71/37/361337137.db2.gz FDCCZHUCNZRBJE-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO [NH3+]C1CCC(OCC#Cc2ccccc2)CC1 ZINC000055143197 181342469 /nfs/dbraw/zinc/34/24/69/181342469.db2.gz FLYWGKQYRSAKDQ-UHFFFAOYSA-N 1 0 229.323 2.325 10 30 BEEERO [NH3+]CC#Cc1cc(F)ccc1OC1CCCC1 ZINC000037548079 181345609 /nfs/dbraw/zinc/34/56/09/181345609.db2.gz FIYDNKFBJSTNLD-UHFFFAOYSA-N 1 0 233.286 2.457 10 30 BEEERO [NH3+]CC#Cc1ccccc1COCc1ccco1 ZINC000049610360 181346575 /nfs/dbraw/zinc/34/65/75/181346575.db2.gz DGZNMRMGMFNENG-UHFFFAOYSA-N 1 0 241.290 2.307 10 30 BEEERO C#CC[NH2+]Cc1cccc(OCCC)c1 ZINC000038038244 363900494 /nfs/dbraw/zinc/90/04/94/363900494.db2.gz HXNKYFQZCIHLQI-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1C[NH3+] ZINC000600887715 364231192 /nfs/dbraw/zinc/23/11/92/364231192.db2.gz RYZPECVKGKOPPF-VHSXEESVSA-N 1 0 249.745 2.243 10 30 BEEERO C#CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000037711267 364543973 /nfs/dbraw/zinc/54/39/73/364543973.db2.gz TUIDJEHWKPPJQK-UHFFFAOYSA-N 1 0 230.094 2.464 10 30 BEEERO C=CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000019875865 541371803 /nfs/dbraw/zinc/37/18/03/541371803.db2.gz RUSKLUUUWSUSGA-VIFPVBQESA-N 1 0 205.257 2.252 10 30 BEEERO CC[NH2+][C@H](C)CNc1cccc(F)c1C#N ZINC000387402257 364659613 /nfs/dbraw/zinc/65/96/13/364659613.db2.gz AXGAWSRIAOOVGW-SECBINFHSA-N 1 0 221.279 2.107 10 30 BEEERO C=CC[NH+](CC=C)[C@@H](CO)c1ccccc1 ZINC000078844599 368445261 /nfs/dbraw/zinc/44/52/61/368445261.db2.gz KLHPISNIBVRGAX-AWEZNQCLSA-N 1 0 217.312 2.394 10 30 BEEERO C=C(C)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000130841035 369115991 /nfs/dbraw/zinc/11/59/91/369115991.db2.gz ADCGZBLVVBPGSC-NSHDSACASA-N 1 0 219.284 2.424 10 30 BEEERO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1C[NH3+] ZINC000600887713 369572038 /nfs/dbraw/zinc/57/20/38/369572038.db2.gz RYZPECVKGKOPPF-NXEZZACHSA-N 1 0 249.745 2.243 10 30 BEEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)c(F)c1 ZINC000600958606 369578361 /nfs/dbraw/zinc/57/83/61/369578361.db2.gz ITGVUZRBUUVKBS-LBPRGKRZSA-N 1 0 247.317 2.405 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000600962661 369579181 /nfs/dbraw/zinc/57/91/81/369579181.db2.gz IRBORZZPFNUDKS-MQMHXKEQSA-N 1 0 229.327 2.488 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC000600962125 369579728 /nfs/dbraw/zinc/57/97/28/369579728.db2.gz YZIPSJZUUSEORB-GXSJLCMTSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC000600962129 369580551 /nfs/dbraw/zinc/58/05/51/369580551.db2.gz YZIPSJZUUSEORB-MWLCHTKSSA-N 1 0 249.745 2.243 10 30 BEEERO Cc1ccc(C#N)c(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000600962561 369581714 /nfs/dbraw/zinc/58/17/14/369581714.db2.gz GOGILTPBGQIZPH-AULYBMBSSA-N 1 0 244.342 2.191 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000251078043 369650931 /nfs/dbraw/zinc/65/09/31/369650931.db2.gz GOLAIMCTPBTUOD-FRRDWIJNSA-N 1 0 222.332 2.085 10 30 BEEERO CC[C@@H]1CN(c2ccc(F)cc2C#N)CC[C@H]1[NH3+] ZINC000251658052 369885780 /nfs/dbraw/zinc/88/57/80/369885780.db2.gz GWZALSKBUUDJHE-ZWNOBZJWSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1CCCN(c2ccc(F)cc2C#N)[C@H]1C[NH3+] ZINC000252135142 369999086 /nfs/dbraw/zinc/99/90/86/369999086.db2.gz LKIQDKDHMQJLPC-YGRLFVJLSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]([NH3+])CCNc1ccc(C#N)c(Cl)c1 ZINC000063171409 370136831 /nfs/dbraw/zinc/13/68/31/370136831.db2.gz BVJTVUICRQYPJN-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO C[C@@H]([NH3+])CCNc1cc(Cl)ccc1C#N ZINC000063171413 370138092 /nfs/dbraw/zinc/13/80/92/370138092.db2.gz SEIYQNBIVYTIJT-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO C[C@@H]([NH3+])CCNc1ccc(Cl)cc1C#N ZINC000063171543 370138311 /nfs/dbraw/zinc/13/83/11/370138311.db2.gz PFSMUTMQBVVLNK-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO CC(C)[C@H]([NH3+])CNc1cccc(F)c1C#N ZINC000070010564 371002788 /nfs/dbraw/zinc/00/27/88/371002788.db2.gz ILBZPCKCRSKTPJ-LLVKDONJSA-N 1 0 221.279 2.093 10 30 BEEERO CC[C@@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000082579349 371010878 /nfs/dbraw/zinc/01/08/78/371010878.db2.gz APKLIBYHHHGMRQ-SECBINFHSA-N 1 0 223.707 2.361 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390110821 371187984 /nfs/dbraw/zinc/18/79/84/371187984.db2.gz WSXSUUCWIUAABM-LSDHHAIUSA-N 1 0 244.338 2.485 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000227473621 371871894 /nfs/dbraw/zinc/87/18/94/371871894.db2.gz KVHOSBDSEBBZMG-HUUCEWRRSA-N 1 0 244.338 2.351 10 30 BEEERO C[C@H](CS)C[N@@H+]1CCSC(C)(C)C1 ZINC000133446442 372052639 /nfs/dbraw/zinc/05/26/39/372052639.db2.gz HLDRQEWYUFGUIX-VIFPVBQESA-N 1 0 219.419 2.380 10 30 BEEERO N#Cc1cc(F)c(NC2CC[NH2+]CC2)c(F)c1 ZINC000133661109 372086566 /nfs/dbraw/zinc/08/65/66/372086566.db2.gz CWQPVPFKIXPACK-UHFFFAOYSA-N 1 0 237.253 2.000 10 30 BEEERO CC[NH2+]CC#Cc1sccc1Br ZINC000229455506 372154276 /nfs/dbraw/zinc/15/42/76/372154276.db2.gz GKTJYZABFJZNOZ-UHFFFAOYSA-N 1 0 244.157 2.472 10 30 BEEERO C=CC[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000039387558 372960623 /nfs/dbraw/zinc/96/06/23/372960623.db2.gz LRVXBKFCTIJVHJ-SNVBAGLBSA-N 1 0 207.273 2.280 10 30 BEEERO C=C(Br)CN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000069723310 373640399 /nfs/dbraw/zinc/64/03/99/373640399.db2.gz CPRCLAOYISLGRF-VHSXEESVSA-N 1 0 247.180 2.097 10 30 BEEERO CN(c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747365 373667472 /nfs/dbraw/zinc/66/74/72/373667472.db2.gz KDYBYJQFVDCPSR-NNQSOWQGSA-N 1 0 241.338 2.277 10 30 BEEERO OCC#Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000049616136 183032071 /nfs/dbraw/zinc/03/20/71/183032071.db2.gz RVCQFJMYJSOSQD-UHFFFAOYSA-N 1 0 243.350 2.406 10 30 BEEERO CCC[N@H+](CC)Cc1ccccc1C#CC[NH3+] ZINC000049608864 169129840 /nfs/dbraw/zinc/12/98/40/169129840.db2.gz BWXHOGGCGQVNRK-UHFFFAOYSA-N 1 0 230.355 2.229 10 30 BEEERO CCCN[C@H](C#N)CCOc1cccc(OC)c1 ZINC000062445834 169283631 /nfs/dbraw/zinc/28/36/31/169283631.db2.gz XPKXHEUOBQULIP-LBPRGKRZSA-N 1 0 248.326 2.356 10 30 BEEERO CCC[C@H](C[NH3+])CC(=O)Nc1ccc(C#N)cc1 ZINC000076629185 169498487 /nfs/dbraw/zinc/49/84/87/169498487.db2.gz WBNIXYQLSWPPBV-LBPRGKRZSA-N 1 0 245.326 2.262 10 30 BEEERO CCSCC[NH2+]Cc1cccc(C#N)c1 ZINC000135529862 384164603 /nfs/dbraw/zinc/16/46/03/384164603.db2.gz MWUOUEFPEBWBDV-UHFFFAOYSA-N 1 0 220.341 2.401 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000320130104 384223066 /nfs/dbraw/zinc/22/30/66/384223066.db2.gz QUCVULPPIKHLMP-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000336788975 384278151 /nfs/dbraw/zinc/27/81/51/384278151.db2.gz IBHKKNMNRLYUDC-VIFPVBQESA-N 1 0 248.286 2.006 10 30 BEEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000335846325 384526630 /nfs/dbraw/zinc/52/66/30/384526630.db2.gz ZXJRSHAOUNLDQD-HTQZYQBOSA-N 1 0 223.707 2.359 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)CCCC[NH3+])n1 ZINC000311031773 384666538 /nfs/dbraw/zinc/66/65/38/384666538.db2.gz SVFCEELKGXXOKZ-NSHDSACASA-N 1 0 246.358 2.500 10 30 BEEERO CC1(C)C[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000536950795 384802880 /nfs/dbraw/zinc/80/28/80/384802880.db2.gz JYSFRXJSOJOAIU-LBPRGKRZSA-N 1 0 200.285 2.271 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(F)cc1C#N ZINC000320716538 384840390 /nfs/dbraw/zinc/84/03/90/384840390.db2.gz QQAYPYYAQYWNJC-RKDXNWHRSA-N 1 0 221.279 2.235 10 30 BEEERO C[N@H+](CC1CCOCC1)CC1(C#N)CCC1 ZINC000258950102 384952957 /nfs/dbraw/zinc/95/29/57/384952957.db2.gz QQECLIUDBIUZNO-UHFFFAOYSA-N 1 0 222.332 2.039 10 30 BEEERO C[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CCCOC1 ZINC000119745756 384916917 /nfs/dbraw/zinc/91/69/17/384916917.db2.gz PQZFKRRPGYWALJ-LLVKDONJSA-N 1 0 234.299 2.010 10 30 BEEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336254962 385102816 /nfs/dbraw/zinc/10/28/16/385102816.db2.gz KKQFLRUWMZTMSA-SWLSCSKDSA-N 1 0 244.338 2.098 10 30 BEEERO N#C[C@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000308852259 385217028 /nfs/dbraw/zinc/21/70/28/385217028.db2.gz DRNITKJJEAUMFP-DTWKUNHWSA-N 1 0 214.259 2.456 10 30 BEEERO Cc1cc(N[C@@H](C[NH3+])C2CCCC2)cc(C#N)n1 ZINC000308241184 385414281 /nfs/dbraw/zinc/41/42/81/385414281.db2.gz OWUMJMROWSPTGI-AWEZNQCLSA-N 1 0 244.342 2.191 10 30 BEEERO CO[C@]1(C)CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000584599231 385469467 /nfs/dbraw/zinc/46/94/67/385469467.db2.gz YTNNVDFOEBYUMZ-UONOGXRCSA-N 1 0 230.311 2.388 10 30 BEEERO C=C(C)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815404 385489269 /nfs/dbraw/zinc/48/92/69/385489269.db2.gz QLHZVNUSWVLXFP-CQSZACIVSA-N 1 0 244.338 2.300 10 30 BEEERO C[C@@H](CC[NH3+])Nc1ccc(Cl)cc1C#N ZINC000308891252 385626650 /nfs/dbraw/zinc/62/66/50/385626650.db2.gz HNGRQTARGMOFDM-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000595484106 385630504 /nfs/dbraw/zinc/63/05/04/385630504.db2.gz XWEPBMSEIIOHDX-FRRDWIJNSA-N 1 0 222.332 2.083 10 30 BEEERO C#CCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000309558681 385691125 /nfs/dbraw/zinc/69/11/25/385691125.db2.gz NMYLGMPNZLVPBH-UHFFFAOYSA-N 1 0 214.312 2.331 10 30 BEEERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000396648276 385724628 /nfs/dbraw/zinc/72/46/28/385724628.db2.gz LBPBXLSMQCXEBU-SLEUVZQESA-N 1 0 243.354 2.349 10 30 BEEERO CC[NH2+]Cc1ccc(Br)cc1C#N ZINC000260812002 385794027 /nfs/dbraw/zinc/79/40/27/385794027.db2.gz NKGKZJGVNMODPI-UHFFFAOYSA-N 1 0 239.116 2.430 10 30 BEEERO C=CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945012 386510482 /nfs/dbraw/zinc/51/04/82/386510482.db2.gz CYCIKHWEUBJLHM-UHFFFAOYSA-N 1 0 200.285 2.454 10 30 BEEERO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1C ZINC000052272483 533196309 /nfs/dbraw/zinc/19/63/09/533196309.db2.gz STATYGXDTLHLPL-DGCLKSJQSA-N 1 0 215.296 2.197 10 30 BEEERO CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000228191233 387068943 /nfs/dbraw/zinc/06/89/43/387068943.db2.gz NSLJCAXYZOTGAS-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO C[NH2+]CCC#Cc1cccc(Br)c1 ZINC000575522775 387443774 /nfs/dbraw/zinc/44/37/74/387443774.db2.gz OTSUZZWHZDTVHX-UHFFFAOYSA-N 1 0 238.128 2.410 10 30 BEEERO C=CC[C@H]([NH3+])c1ncsc1Br ZINC000575569618 387726676 /nfs/dbraw/zinc/72/66/76/387726676.db2.gz GTYNLZZGMCMWBY-YFKPBYRVSA-N 1 0 233.134 2.482 10 30 BEEERO COCC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCC1 ZINC000336659264 388085918 /nfs/dbraw/zinc/08/59/18/388085918.db2.gz IZBYUXNWIGCQSG-VXGBXAGGSA-N 1 0 222.332 2.085 10 30 BEEERO [NH3+]CC#Cc1c(F)cc(Br)cc1F ZINC000575519985 388356210 /nfs/dbraw/zinc/35/62/10/388356210.db2.gz BHRKNHVEFQDSDR-UHFFFAOYSA-N 1 0 246.054 2.038 10 30 BEEERO C=CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000393484142 388431269 /nfs/dbraw/zinc/43/12/69/388431269.db2.gz ABUJBQGUAFEGEU-SRVKXCTJSA-N 1 0 209.333 2.356 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCCO1 ZINC000248709813 388691147 /nfs/dbraw/zinc/69/11/47/388691147.db2.gz BEIIPJWHQVMNNT-LOWDOPEQSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(C#N)c1 ZINC000375604128 388719487 /nfs/dbraw/zinc/71/94/87/388719487.db2.gz DSDOWXZIXQWBMP-QZKOUSHUSA-N 1 0 242.322 2.101 10 30 BEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354619 388814768 /nfs/dbraw/zinc/81/47/68/388814768.db2.gz FBSXBURDDIZQET-TUVASFSCSA-N 1 0 249.402 2.387 10 30 BEEERO C[C@H]([NH3+])C#Cc1ccc(Br)cc1 ZINC000575492445 388939278 /nfs/dbraw/zinc/93/92/78/388939278.db2.gz AKZHDGCEVPTWGV-QMMMGPOBSA-N 1 0 224.101 2.148 10 30 BEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070178537 132230240 /nfs/dbraw/zinc/23/02/40/132230240.db2.gz LTJZYSIZKDYHTH-BXUZGUMPSA-N 1 0 229.327 2.122 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)[NH+]1C ZINC000135265576 132239891 /nfs/dbraw/zinc/23/98/91/132239891.db2.gz YVULRJRVLNGSKX-VXGBXAGGSA-N 1 0 229.327 2.087 10 30 BEEERO Cc1ccc(C#N)c(N2CC[NH+](C(C)C)CC2)c1 ZINC000051597764 132361471 /nfs/dbraw/zinc/36/14/71/132361471.db2.gz CHDOCSLVZMAXMF-UHFFFAOYSA-N 1 0 243.354 2.397 10 30 BEEERO N#Cc1ccc(N2CCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000062791355 132388405 /nfs/dbraw/zinc/38/84/05/132388405.db2.gz RKRDDFLBHLDBII-NSHDSACASA-N 1 0 249.745 2.387 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@H]1c1ccccc1 ZINC000104162319 134159393 /nfs/dbraw/zinc/15/93/93/134159393.db2.gz WDWRGDMHVPPEBF-KBPBESRZSA-N 1 0 243.354 2.247 10 30 BEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000104174083 134159426 /nfs/dbraw/zinc/15/94/26/134159426.db2.gz PBSBDESKUPGKAH-GXSJLCMTSA-N 1 0 203.289 2.130 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220290371 134301660 /nfs/dbraw/zinc/30/16/60/134301660.db2.gz HGELRCIKVDDEQT-KGLIPLIRSA-N 1 0 236.359 2.307 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223941698 134343574 /nfs/dbraw/zinc/34/35/74/134343574.db2.gz RZEFRRHLRJVASI-RWMBFGLXSA-N 1 0 222.332 2.227 10 30 BEEERO Cc1nc(CC[NH2+][C@H]2CCC[C@H]2C#N)cs1 ZINC000224373658 134346281 /nfs/dbraw/zinc/34/62/81/134346281.db2.gz CMYCQIBRXNPIRJ-JQWIXIFHSA-N 1 0 235.356 2.276 10 30 BEEERO CC#CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248397966 135004836 /nfs/dbraw/zinc/00/48/36/135004836.db2.gz SOVCHFDFOKSDBB-KBPBESRZSA-N 1 0 221.344 2.027 10 30 BEEERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251380237 135071877 /nfs/dbraw/zinc/07/18/77/135071877.db2.gz ZBMNHGFFQXKJTL-DGAVXFQQSA-N 1 0 236.359 2.472 10 30 BEEERO C=C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252947996 135117536 /nfs/dbraw/zinc/11/75/36/135117536.db2.gz NLGJRFCPOZLSBH-XDTLVQLUSA-N 1 0 202.301 2.295 10 30 BEEERO C[C@H]1C[NH+](CCCC(C)(C)C#N)C[C@H](C)O1 ZINC000087608396 135159059 /nfs/dbraw/zinc/15/90/59/135159059.db2.gz WQVBHQQSWIOVNO-RYUDHWBXSA-N 1 0 224.348 2.426 10 30 BEEERO N#Cc1cc(NCCC[NH3+])ccc1C(F)(F)F ZINC000163885956 135209937 /nfs/dbraw/zinc/20/99/37/135209937.db2.gz BPFSLIWUNCSTFT-UHFFFAOYSA-N 1 0 243.232 2.338 10 30 BEEERO C[NH+]=C(NC1CCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261747338 135250188 /nfs/dbraw/zinc/25/01/88/135250188.db2.gz NCFQXQXOVJVTTG-RYUDHWBXSA-N 1 0 235.375 2.236 10 30 BEEERO C[NH+]=C(N[C@H](C)c1ccc(C)c(F)c1)N(C)C ZINC000261939255 135264628 /nfs/dbraw/zinc/26/46/28/135264628.db2.gz DFPOAMNKSIUCNM-SNVBAGLBSA-N 1 0 237.322 2.332 10 30 BEEERO CN(C)C(=[NH+]CC(C)(C)c1ccccc1)N(C)C ZINC000262022983 135274029 /nfs/dbraw/zinc/27/40/29/135274029.db2.gz YNRVHNZFBYHBSH-UHFFFAOYSA-N 1 0 247.386 2.443 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CC1(C)C ZINC000262414083 135295023 /nfs/dbraw/zinc/29/50/23/135295023.db2.gz PVRJWMKNPFJCMZ-GFCCVEGCSA-N 1 0 247.342 2.358 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1C[C@H](C)C[C@@H](C)C1 ZINC000262517997 135304062 /nfs/dbraw/zinc/30/40/62/135304062.db2.gz CZVUOGXFUIYQQH-IJLUTSLNSA-N 1 0 237.391 2.338 10 30 BEEERO C[NH+]=C(NCC(C)(C)SC)N[C@H]1CC1(C)C ZINC000262569076 135306630 /nfs/dbraw/zinc/30/66/30/135306630.db2.gz YPJIAWIGKWUAKH-VIFPVBQESA-N 1 0 243.420 2.092 10 30 BEEERO C[C@@H]1C[NH+]=C(NC[C@]2(C)C[C@H]2c2ccccc2)N1 ZINC000263035118 135328110 /nfs/dbraw/zinc/32/81/10/135328110.db2.gz BSIUMCSZBFYEQC-ZLDLUXBVSA-N 1 0 243.354 2.118 10 30 BEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CC23CC3)cc1 ZINC000263065529 135330840 /nfs/dbraw/zinc/33/08/40/135330840.db2.gz GDDPXIQMMVWQBT-JTQLQIEISA-N 1 0 245.326 2.222 10 30 BEEERO Cc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)c1 ZINC000263147285 135335888 /nfs/dbraw/zinc/33/58/88/135335888.db2.gz KWNQHFNSGVFOHV-UWVGGRQHSA-N 1 0 239.269 2.375 10 30 BEEERO C[NH+]=C(NCc1cccs1)N[C@@H](C)C(C)C ZINC000263252133 135342804 /nfs/dbraw/zinc/34/28/04/135342804.db2.gz PHJWPIFKADLHHC-JTQLQIEISA-N 1 0 239.388 2.458 10 30 BEEERO CN(C(=[NH2+])N[C@@H]1CCC12CCCC2)C1CC1 ZINC000263271195 135343321 /nfs/dbraw/zinc/34/33/21/135343321.db2.gz PEVOETZSOSEMOE-LLVKDONJSA-N 1 0 221.348 2.118 10 30 BEEERO C[C@H](CCC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336792300 397950602 /nfs/dbraw/zinc/95/06/02/397950602.db2.gz RJWUJRHNYQTNOJ-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000336788974 397951512 /nfs/dbraw/zinc/95/15/12/397951512.db2.gz IBHKKNMNRLYUDC-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[NH+]1CCCCC1 ZINC000045179409 167142281 /nfs/dbraw/zinc/14/22/81/167142281.db2.gz PLMWGXHXCVFDLV-ZDUSSCGKSA-N 1 0 223.364 2.143 10 30 BEEERO C#CCCOc1ccc(C[C@H](C)[NH3+])cc1OCC ZINC000037726085 166149891 /nfs/dbraw/zinc/14/98/91/166149891.db2.gz RZATVJXCWZAWQT-LBPRGKRZSA-N 1 0 247.338 2.377 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662951950 409986475 /nfs/dbraw/zinc/98/64/75/409986475.db2.gz ATWPGZPHBOSFJM-NWDGAFQWSA-N 1 0 238.375 2.365 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000320139641 410029463 /nfs/dbraw/zinc/02/94/63/410029463.db2.gz SAVVPUWPZAQIFP-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO C#CCOc1ccccc1C[NH2+]CCCOC=C ZINC000020197709 166200406 /nfs/dbraw/zinc/20/04/06/166200406.db2.gz BDCYNVJGCJCTDR-UHFFFAOYSA-N 1 0 245.322 2.338 10 30 BEEERO C(#Cc1ccccc1)COC[C@@H]1CCC[NH2+]C1 ZINC000051815522 166225593 /nfs/dbraw/zinc/22/55/93/166225593.db2.gz CUEVPBSITJDLKG-OAHLLOKOSA-N 1 0 229.323 2.054 10 30 BEEERO C=CCC[C@@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1 ZINC000157800363 166296025 /nfs/dbraw/zinc/29/60/25/166296025.db2.gz HWWMQXLPIUHPDK-DGCLKSJQSA-N 1 0 232.327 2.157 10 30 BEEERO C=CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)C1CCCC1 ZINC000037817667 166310574 /nfs/dbraw/zinc/31/05/74/166310574.db2.gz UWIWCFCYQZDFJT-WCQYABFASA-N 1 0 238.375 2.317 10 30 BEEERO C=CCN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 ZINC000037817705 166311228 /nfs/dbraw/zinc/31/12/28/166311228.db2.gz MIKGPXZGTJBVCR-AWEZNQCLSA-N 1 0 236.359 2.071 10 30 BEEERO C=CCN(C(=O)[C@](C)([NH3+])CCC)C1CCCC1 ZINC000037817697 166313090 /nfs/dbraw/zinc/31/30/90/166313090.db2.gz OJISHNIYVDDIOM-CQSZACIVSA-N 1 0 238.375 2.461 10 30 BEEERO C=CCN1CCc2cc([C@H](C)[NH3+])ccc21 ZINC000095942444 166358266 /nfs/dbraw/zinc/35/82/66/166358266.db2.gz KIWRCRIUUSPJAJ-JTQLQIEISA-N 1 0 202.301 2.255 10 30 BEEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000076631640 166372818 /nfs/dbraw/zinc/37/28/18/166372818.db2.gz AQVFALUMFODFPY-ZDUSSCGKSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc2c(c1)CCC2 ZINC000049822162 166398483 /nfs/dbraw/zinc/39/84/83/166398483.db2.gz HIVJUBKURBMPAU-HNNXBMFYSA-N 1 0 231.339 2.374 10 30 BEEERO C=CC[NH2+]CCC(=O)c1ccc(F)cc1 ZINC000049813737 166399441 /nfs/dbraw/zinc/39/94/41/166399441.db2.gz ITAGTUMBEGSCLN-UHFFFAOYSA-N 1 0 207.248 2.174 10 30 BEEERO C=CC[NH2+]CCC(=O)c1ccc(F)c(C)c1 ZINC000049818256 166399496 /nfs/dbraw/zinc/39/94/96/166399496.db2.gz RNFFUSIPRVZRSH-UHFFFAOYSA-N 1 0 221.275 2.483 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)C[C@@H]1C[C@H]1C ZINC000104423756 167142430 /nfs/dbraw/zinc/14/24/30/167142430.db2.gz FZKSMNZXLUDUET-RDBSUJKOSA-N 1 0 237.391 2.245 10 30 BEEERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000124076488 411160082 /nfs/dbraw/zinc/16/00/82/411160082.db2.gz VHTRFYNUVZSXBU-ZBFHGGJFSA-N 1 0 243.350 2.273 10 30 BEEERO C[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164088564 411188052 /nfs/dbraw/zinc/18/80/52/411188052.db2.gz JTCZMAXBCZGOJN-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO CC1CCC([N@H+](C)C[C@@]2(C=O)CCOC2)CC1 ZINC000051179634 168159833 /nfs/dbraw/zinc/15/98/33/168159833.db2.gz LYZVIIALCJDCGB-JXQTWKCFSA-N 1 0 239.359 2.103 10 30 BEEERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335771 170013507 /nfs/dbraw/zinc/01/35/07/170013507.db2.gz JBWPLKKOTYWYJT-SWLSCSKDSA-N 1 0 243.354 2.303 10 30 BEEERO CC[NH2+][C@@H]1CCCc2nc(CC#N)sc21 ZINC000050330138 170152253 /nfs/dbraw/zinc/15/22/53/170152253.db2.gz KKWVFCKBZOUQPX-MRVPVSSYSA-N 1 0 221.329 2.196 10 30 BEEERO CCOCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083363235 170381941 /nfs/dbraw/zinc/38/19/41/170381941.db2.gz JGHYASJCGLMOSZ-UHFFFAOYSA-N 1 0 236.290 2.214 10 30 BEEERO CC[C@H](/C(N)=N/O)[NH+]1CCC2(CCCC2)CC1 ZINC000062954267 171218442 /nfs/dbraw/zinc/21/84/42/171218442.db2.gz SHHPOUZEVNWBDN-LLVKDONJSA-N 1 0 239.363 2.168 10 30 BEEERO CC[C@H](C)C(=O)Nc1ccc(F)cc1C#CC[NH3+] ZINC000037552144 171255259 /nfs/dbraw/zinc/25/52/59/171255259.db2.gz KUYKPOBFXLBCBR-JTQLQIEISA-N 1 0 248.301 2.121 10 30 BEEERO CC[C@H](C)[N@H+](CCOC)CC1(C=O)CCCC1 ZINC000051179255 171315387 /nfs/dbraw/zinc/31/53/87/171315387.db2.gz CTBLQHOVGULNQR-ZDUSSCGKSA-N 1 0 241.375 2.493 10 30 BEEERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(F)c1C#N ZINC000037617052 171339045 /nfs/dbraw/zinc/33/90/45/171339045.db2.gz RZDDTHMXXWPZMY-VIFPVBQESA-N 1 0 249.289 2.024 10 30 BEEERO C[N@@H+]1CCCC[C@H]1CNc1cccc(C#N)c1 ZINC000054239875 173009987 /nfs/dbraw/zinc/00/99/87/173009987.db2.gz NKHWUZMXCSGGPS-AWEZNQCLSA-N 1 0 229.327 2.454 10 30 BEEERO CN([C@@H]1CCCC[C@@H]1C#N)[C@H]1CCC[N@H+](C)C1 ZINC000053245301 173044693 /nfs/dbraw/zinc/04/46/93/173044693.db2.gz KDLLJGMRSMEIGX-HZSPNIEDSA-N 1 0 235.375 2.095 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1C#N ZINC000052859357 173364463 /nfs/dbraw/zinc/36/44/63/173364463.db2.gz BVJKIOPMPOSUAG-MRVPVSSYSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]C[C@H](C)Oc1ccc(C#N)cc1Cl ZINC000062791638 173376003 /nfs/dbraw/zinc/37/60/03/173376003.db2.gz TYPCSJXBEIGLND-QMMMGPOBSA-N 1 0 224.691 2.198 10 30 BEEERO COC1CC[NH+]([C@H]2CCCC[C@@H]2C#N)CC1 ZINC000037266318 174030955 /nfs/dbraw/zinc/03/09/55/174030955.db2.gz JSSQSKPKKKRTOC-YPMHNXCESA-N 1 0 222.332 2.180 10 30 BEEERO COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1C#N ZINC000042518261 174285667 /nfs/dbraw/zinc/28/56/67/174285667.db2.gz JWCNEHBXMSUBNN-SGMGOOAPSA-N 1 0 236.359 2.426 10 30 BEEERO COc1ccc(NC(=[NH2+])c2ccncc2)cc1 ZINC000005733177 175049800 /nfs/dbraw/zinc/04/98/00/175049800.db2.gz IHSQITMFXQQHOU-UHFFFAOYSA-N 1 0 227.267 2.127 10 30 BEEERO C[C@@H](C[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000104205919 175712050 /nfs/dbraw/zinc/71/20/50/175712050.db2.gz IDKNYKCFFBJASO-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO C[C@@H](c1ccc(C#N)cc1)N1CCC([NH3+])CC1 ZINC000026513499 176012669 /nfs/dbraw/zinc/01/26/69/176012669.db2.gz XFSIOMNTUYLQMB-NSHDSACASA-N 1 0 229.327 2.042 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019267336 176052142 /nfs/dbraw/zinc/05/21/42/176052142.db2.gz QEZKTNYIDLEWEC-OCCSQVGLSA-N 1 0 235.375 2.000 10 30 BEEERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC/C(N)=N/O ZINC000042607867 176078403 /nfs/dbraw/zinc/07/84/03/176078403.db2.gz ZXZSVHAIGOSCFL-NEPJUHHUSA-N 1 0 241.379 2.414 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615228 176109422 /nfs/dbraw/zinc/10/94/22/176109422.db2.gz AZJQPGWUONDTHE-CYBMUJFWSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@]2(C=O)CCOC2)C1 ZINC000051178140 176120750 /nfs/dbraw/zinc/12/07/50/176120750.db2.gz RIWTWWPUKYRWFQ-MCIONIFRSA-N 1 0 239.359 2.103 10 30 BEEERO C[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000047934889 176194536 /nfs/dbraw/zinc/19/45/36/176194536.db2.gz UZTFKNPHQOZHCI-VNHYZAJKSA-N 1 0 249.402 2.341 10 30 BEEERO C[C@@H]1C[NH+]=C(NCc2cccc(F)c2)S1 ZINC000035295219 176322789 /nfs/dbraw/zinc/32/27/89/176322789.db2.gz REBPUZOHKVSFRZ-MRVPVSSYSA-N 1 0 224.304 2.407 10 30 BEEERO C[C@H]1CCCC[C@H]1OCCC/C(N)=N/O ZINC000019511826 177089712 /nfs/dbraw/zinc/08/97/12/177089712.db2.gz KVTNNEXUWPMIIX-VHSXEESVSA-N 1 0 214.309 2.108 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049615254 177110032 /nfs/dbraw/zinc/11/00/32/177110032.db2.gz LXRFCDIRERHNPR-LBPRGKRZSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049615259 177110334 /nfs/dbraw/zinc/11/03/34/177110334.db2.gz YLCROKHAGBUBHO-LBPRGKRZSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@H]1CC[N@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049613635 177165851 /nfs/dbraw/zinc/16/58/51/177165851.db2.gz RFGBAOPGUMXSTG-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1CN(c2ccc(F)cc2C#N)C[C@H]1[NH+](C)C ZINC000251769706 177277141 /nfs/dbraw/zinc/27/71/41/177277141.db2.gz MHWRZPDYEPGRIF-IINYFYTJSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000120776495 177300015 /nfs/dbraw/zinc/30/00/15/177300015.db2.gz XKZVNIURFIMJKD-QWRGUYRKSA-N 1 0 248.301 2.307 10 30 BEEERO C[C@H]1CSC(NCc2ccc(C#N)cc2)=[NH+]1 ZINC000051354697 177303165 /nfs/dbraw/zinc/30/31/65/177303165.db2.gz ZZBAXRCVQVJYMM-VIFPVBQESA-N 1 0 231.324 2.139 10 30 BEEERO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000104415279 177342578 /nfs/dbraw/zinc/34/25/78/177342578.db2.gz KCJMNVVCAFVGJN-WCQYABFASA-N 1 0 249.379 2.180 10 30 BEEERO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000104415285 177379256 /nfs/dbraw/zinc/37/92/56/177379256.db2.gz KCJMNVVCAFVGJN-AAEUAGOBSA-N 1 0 249.379 2.180 10 30 BEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1 ZINC000129532838 177396976 /nfs/dbraw/zinc/39/69/76/177396976.db2.gz XLIQDPMUVWJTHJ-ZWNOBZJWSA-N 1 0 215.300 2.111 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000320130103 323549868 /nfs/dbraw/zinc/54/98/68/323549868.db2.gz QUCVULPPIKHLMP-IUCAKERBSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000320130101 323550214 /nfs/dbraw/zinc/55/02/14/323550214.db2.gz QUCVULPPIKHLMP-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO C=CC[N@H+](C)CCOCCOc1ccccc1 ZINC000121225841 324006927 /nfs/dbraw/zinc/00/69/27/324006927.db2.gz MWHOLZJUCDJOQC-UHFFFAOYSA-N 1 0 235.327 2.200 10 30 BEEERO CC(C)(CCC#N)C[NH+]1CCN(C2CC2)CC1 ZINC000127961857 324796965 /nfs/dbraw/zinc/79/69/65/324796965.db2.gz UCIALELIUKLUMK-UHFFFAOYSA-N 1 0 235.375 2.096 10 30 BEEERO C[NH+]=C(NC1CC1)N[C@@H]1CCC12CCCC2 ZINC000263236658 536304646 /nfs/dbraw/zinc/30/46/46/536304646.db2.gz DWQQZBZCKIOECU-LLVKDONJSA-N 1 0 221.348 2.037 10 30 BEEERO C=CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305646168 534533018 /nfs/dbraw/zinc/53/30/18/534533018.db2.gz AQOLDOYZFDDFQS-QWHCGFSZSA-N 1 0 209.333 2.188 10 30 BEEERO C=CCCCC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176410614 534646423 /nfs/dbraw/zinc/64/64/23/534646423.db2.gz GFQZHIPWDCEIKP-CYBMUJFWSA-N 1 0 238.375 2.285 10 30 BEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@@H](C)C1 ZINC000262527993 535265764 /nfs/dbraw/zinc/26/57/64/535265764.db2.gz HGVLJOKKCPCDEG-VXGBXAGGSA-N 1 0 237.391 2.482 10 30 BEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)NC(C)(C)C ZINC000263244296 535266848 /nfs/dbraw/zinc/26/68/48/535266848.db2.gz MIJDNYYYYMXOIX-SECBINFHSA-N 1 0 211.353 2.139 10 30 BEEERO C[C@H]1CCCC[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000043689786 582805705 /nfs/dbraw/zinc/80/57/05/582805705.db2.gz NARSRYHNSAFWMP-LBPRGKRZSA-N 1 0 249.379 2.466 10 30 BEEERO CCC[N@H+](CC)Cc1cc(C#CCO)cs1 ZINC000043698544 582806607 /nfs/dbraw/zinc/80/66/07/582806607.db2.gz MQORHGUCHASMHA-UHFFFAOYSA-N 1 0 237.368 2.324 10 30 BEEERO N#Cc1ccc(OCCC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000117689904 589116779 /nfs/dbraw/zinc/11/67/79/589116779.db2.gz RRNKSYNMBGDDJL-HIFRSBDPSA-N 1 0 242.322 2.421 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(C)CC1 ZINC000121646963 589523687 /nfs/dbraw/zinc/52/36/87/589523687.db2.gz NWLODLUQTBZQPK-GFCCVEGCSA-N 1 0 237.343 2.063 10 30 BEEERO C#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124703788 590075340 /nfs/dbraw/zinc/07/53/40/590075340.db2.gz PKBFDDIQFCHMMZ-ZNMIVQPWSA-N 1 0 235.371 2.415 10 30 BEEERO CCCCCCCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000125593807 590172080 /nfs/dbraw/zinc/17/20/80/590172080.db2.gz ROQOTMSIDVIRBR-STQMWFEESA-N 1 0 240.391 2.461 10 30 BEEERO C=C(Br)C[NH2+]CCSCC ZINC000129103364 591247487 /nfs/dbraw/zinc/24/74/87/591247487.db2.gz ATFUUUDJVSLQTH-UHFFFAOYSA-N 1 0 224.167 2.238 10 30 BEEERO CS[C@H](C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000130706597 591503078 /nfs/dbraw/zinc/50/30/78/591503078.db2.gz HGVMZELDEDOOAN-SNVBAGLBSA-N 1 0 237.372 2.473 10 30 BEEERO [NH2+]=C(NCCC1=CCCC1)N1CCCCC1 ZINC000133900776 591868205 /nfs/dbraw/zinc/86/82/05/591868205.db2.gz MXAGMDUKPTVORG-UHFFFAOYSA-N 1 0 221.348 2.287 10 30 BEEERO CCCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232926793 635522431 /nfs/dbraw/zinc/52/24/31/635522431.db2.gz BAILXZURXHWXMU-NEPJUHHUSA-N 1 0 226.364 2.153 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236499472 635600161 /nfs/dbraw/zinc/60/01/61/635600161.db2.gz YHKFHFILSHUCTP-OLZOCXBDSA-N 1 0 224.348 2.211 10 30 BEEERO CC[C@@H](C)[N@H+](C)CCNCC#Cc1ccccc1 ZINC000219675783 632528698 /nfs/dbraw/zinc/52/86/98/632528698.db2.gz QRSOROWZAZMIFR-OAHLLOKOSA-N 1 0 244.382 2.358 10 30 BEEERO C#C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000309872200 632677999 /nfs/dbraw/zinc/67/79/99/632677999.db2.gz RDDJJKXYWKZJAM-VXGBXAGGSA-N 1 0 217.312 2.410 10 30 BEEERO CC[NH+](CC)CCCNCC#Cc1ccccc1 ZINC000051814044 636025606 /nfs/dbraw/zinc/02/56/06/636025606.db2.gz AVPPYZIIJBQYFL-UHFFFAOYSA-N 1 0 244.382 2.360 10 30 BEEERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309728365 633995188 /nfs/dbraw/zinc/99/51/88/633995188.db2.gz DRYODPZOLNXWJW-MROQNXINSA-N 1 0 222.332 2.083 10 30 BEEERO C#C[C@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000309872195 634032995 /nfs/dbraw/zinc/03/29/95/634032995.db2.gz RDDJJKXYWKZJAM-NEPJUHHUSA-N 1 0 217.312 2.410 10 30 BEEERO Cc1cc(C#N)ccc1N1CC[NH+](C2CC2)CC1 ZINC000042491094 637273464 /nfs/dbraw/zinc/27/34/64/637273464.db2.gz SGEKQRIRGDGQEA-UHFFFAOYSA-N 1 0 241.338 2.151 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000054825072 640409921 /nfs/dbraw/zinc/40/99/21/640409921.db2.gz OKPNWVXSOHLDQZ-ILXRZTDVSA-N 1 0 244.338 2.392 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OCC)cc1 ZINC000069767984 642904731 /nfs/dbraw/zinc/90/47/31/642904731.db2.gz TVLPCOIZUOULID-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO CC[C@H]([NH3+])CNc1nc2ccccc2cc1C#N ZINC000071386169 643138571 /nfs/dbraw/zinc/13/85/71/643138571.db2.gz GIFLKJVAMCDFAD-LBPRGKRZSA-N 1 0 240.310 2.256 10 30 BEEERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000071409333 643141575 /nfs/dbraw/zinc/14/15/75/643141575.db2.gz QLVRCCOAUHGBFP-WCQYABFASA-N 1 0 230.311 2.483 10 30 BEEERO COCC1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000713929375 712473832 /nfs/dbraw/zinc/47/38/32/712473832.db2.gz VEECSWOKHULMRN-UHFFFAOYSA-N 1 0 236.340 2.134 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000723788475 710731058 /nfs/dbraw/zinc/73/10/58/710731058.db2.gz IGZGJMNGPNNEJP-KOLCDFICSA-N 1 0 249.745 2.479 10 30 BEEERO N#Cc1ccc(Cl)cc1N1CC[C@@H](CC[NH3+])C1 ZINC000723672026 711533481 /nfs/dbraw/zinc/53/34/81/711533481.db2.gz IRIGXBHVGBYDIF-SNVBAGLBSA-N 1 0 249.745 2.387 10 30 BEEERO N#CCOc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000132166821 711955642 /nfs/dbraw/zinc/95/56/42/711955642.db2.gz NDJJJTGBKGDWPN-UHFFFAOYSA-N 1 0 242.278 2.472 10 30 BEEERO CCCCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000705914632 712138929 /nfs/dbraw/zinc/13/89/29/712138929.db2.gz ZMCFJAJLJYFSCT-LBPRGKRZSA-N 1 0 228.380 2.446 10 30 BEEERO Cc1cc(C#N)cc(N(C)CCCCCC[NH3+])n1 ZINC000710682931 712254183 /nfs/dbraw/zinc/25/41/83/712254183.db2.gz FDKQXXDSJHCFNH-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000378676752 712356903 /nfs/dbraw/zinc/35/69/03/712356903.db2.gz QBVBLTSXXRYEAU-RWMBFGLXSA-N 1 0 211.349 2.482 10 30 BEEERO COCC1CC([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000713997077 712476891 /nfs/dbraw/zinc/47/68/91/712476891.db2.gz DVIPASYILLAERU-VOMCLLRMSA-N 1 0 224.348 2.329 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@H]1CCc2ccccc21 ZINC000716933003 712596841 /nfs/dbraw/zinc/59/68/41/712596841.db2.gz GKBOJCNEGMLFQB-HIFRSBDPSA-N 1 0 229.323 2.302 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@@H]1CCc2ccccc21 ZINC000716933004 712596917 /nfs/dbraw/zinc/59/69/17/712596917.db2.gz GKBOJCNEGMLFQB-UKRRQHHQSA-N 1 0 229.323 2.302 10 30 BEEERO C[NH2+]CCN(c1ccc(C#N)cc1F)C(C)C ZINC000720792186 712866024 /nfs/dbraw/zinc/86/60/24/712866024.db2.gz VKWRHEGUPGGGKS-UHFFFAOYSA-N 1 0 235.306 2.132 10 30 BEEERO C=CCC(C)(C)COCC(F)(F)C[NH3+] ZINC000685956699 538903837 /nfs/dbraw/zinc/90/38/37/538903837.db2.gz ZLIYDWUTLZXCPP-UHFFFAOYSA-N 1 0 207.264 2.199 10 30 BEEERO C=C(C)CC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685958947 538906399 /nfs/dbraw/zinc/90/63/99/538906399.db2.gz GFOULLPJFLMCAZ-SWLSCSKDSA-N 1 0 247.338 2.454 10 30 BEEERO C=C(C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685959320 538906733 /nfs/dbraw/zinc/90/67/33/538906733.db2.gz RVSQLVTYUVFDEI-UHFFFAOYSA-N 1 0 203.285 2.312 10 30 BEEERO CCC(C=O)(CC)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763306 168311175 /nfs/dbraw/zinc/31/11/75/168311175.db2.gz FJBQIGTTWRSGFW-ZDUSSCGKSA-N 1 0 241.375 2.229 10 30 BEEERO C#CCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960289 538907641 /nfs/dbraw/zinc/90/76/41/538907641.db2.gz BZLMSGYCLHIDBW-UHFFFAOYSA-N 1 0 215.296 2.149 10 30 BEEERO C=CCCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962184 538908934 /nfs/dbraw/zinc/90/89/34/538908934.db2.gz XLQQXCXNQIXWFU-IUODEOHRSA-N 1 0 247.338 2.454 10 30 BEEERO Cc1cc(C2CC[NH2+]CC2)ccc1C#N ZINC000204268615 177949771 /nfs/dbraw/zinc/94/97/71/177949771.db2.gz HWPKLSHCHYCCHR-UHFFFAOYSA-N 1 0 200.285 2.334 10 30 BEEERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000300944186 349460235 /nfs/dbraw/zinc/46/02/35/349460235.db2.gz DVFHMRDZNWFPRH-FVCCEPFGSA-N 1 0 222.332 2.083 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382482763 398173514 /nfs/dbraw/zinc/17/35/14/398173514.db2.gz XPKFRAQNPXXNBM-VXGBXAGGSA-N 1 0 244.342 2.109 10 30 BEEERO Cc1ccc(C#N)c(N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000051579527 178365268 /nfs/dbraw/zinc/36/52/68/178365268.db2.gz AQBDFNKFLROOBV-CYBMUJFWSA-N 1 0 229.327 2.373 10 30 BEEERO Cc1ccc(C#N)c(N[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000063214332 178365282 /nfs/dbraw/zinc/36/52/82/178365282.db2.gz ZSQNLYXGRIQXBU-OLZOCXBDSA-N 1 0 244.342 2.334 10 30 BEEERO Cc1ccc(C#N)c(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000051918326 178366080 /nfs/dbraw/zinc/36/60/80/178366080.db2.gz OMZDZRSRRWZZTI-GFCCVEGCSA-N 1 0 245.326 2.030 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000320828475 342741735 /nfs/dbraw/zinc/74/17/35/342741735.db2.gz JXZULDMFUXVCLC-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000320188725 342732933 /nfs/dbraw/zinc/73/29/33/342732933.db2.gz ZWXMMWKRKDUXLY-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO C#C[C@H]([NH2+]CC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000233546375 342872179 /nfs/dbraw/zinc/87/21/79/342872179.db2.gz UJNADOJFVZNFBI-VLEAKVRGSA-N 1 0 229.414 2.223 10 30 BEEERO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000165368077 342927296 /nfs/dbraw/zinc/92/72/96/342927296.db2.gz UZWAJFXRUHZOLZ-BXUZGUMPSA-N 1 0 230.311 2.134 10 30 BEEERO C=C(C)CN(CC)C(=O)C1([NH3+])CCCCC1 ZINC000019503749 187205952 /nfs/dbraw/zinc/20/59/52/187205952.db2.gz KEBDFBIPYQPUKR-UHFFFAOYSA-N 1 0 224.348 2.073 10 30 BEEERO C#CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019875350 187217161 /nfs/dbraw/zinc/21/71/61/187217161.db2.gz YCRZRISQJJXHCN-UHFFFAOYSA-N 1 0 213.202 2.428 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000602829499 349766232 /nfs/dbraw/zinc/76/62/32/349766232.db2.gz JIFTZEKMCTWZFC-SRVKXCTJSA-N 1 0 222.332 2.083 10 30 BEEERO N#Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000034557726 346919201 /nfs/dbraw/zinc/91/92/01/346919201.db2.gz HXFMGRHVEYSXCZ-ZDUSSCGKSA-N 1 0 230.311 2.469 10 30 BEEERO C=C(Cl)CN[C@H](C)c1nccnc1C ZINC000219191133 187227030 /nfs/dbraw/zinc/22/70/30/187227030.db2.gz PZKRMGUQWXMXPF-SECBINFHSA-N 1 0 211.696 2.188 10 30 BEEERO C[N@H+](CCc1ccncc1)[C@@H]1CCC[C@@H]1C#N ZINC000048260068 343054877 /nfs/dbraw/zinc/05/48/77/343054877.db2.gz JBUWEPFCBUPOBE-ZIAGYGMSSA-N 1 0 229.327 2.248 10 30 BEEERO C[C@@H](C#N)Oc1ccc(Cl)cc1C[NH3+] ZINC000043513361 343116601 /nfs/dbraw/zinc/11/66/01/343116601.db2.gz OOTRRAJOMRHPBF-ZETCQYMHSA-N 1 0 210.664 2.090 10 30 BEEERO CCc1nc(C)c(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000336813780 136271012 /nfs/dbraw/zinc/27/10/12/136271012.db2.gz DCOFCDCDKCSSNP-QWRGUYRKSA-N 1 0 233.315 2.327 10 30 BEEERO Cc1nc(N[C@H](C)[C@@H](C)[NH3+])c(Cl)cc1C#N ZINC000394454309 259354783 /nfs/dbraw/zinc/35/47/83/259354783.db2.gz QOBGIQNYIHTLTK-RNFRBKRXSA-N 1 0 238.722 2.063 10 30 BEEERO N#Cc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000367081542 136331552 /nfs/dbraw/zinc/33/15/52/136331552.db2.gz UACIEMZTFBTDCL-LSDHHAIUSA-N 1 0 242.322 2.169 10 30 BEEERO C=CC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901175 136363932 /nfs/dbraw/zinc/36/39/32/136363932.db2.gz WIRADGHKJQPSFJ-LBPRGKRZSA-N 1 0 205.305 2.014 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105923408 136363992 /nfs/dbraw/zinc/36/39/92/136363992.db2.gz AAYFINYYXMWDHX-CYBMUJFWSA-N 1 0 219.332 2.405 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000054827420 136373210 /nfs/dbraw/zinc/37/32/10/136373210.db2.gz CIUAJLYOKGLPKQ-OCCSQVGLSA-N 1 0 230.311 2.347 10 30 BEEERO C#CC[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000035660581 166191164 /nfs/dbraw/zinc/19/11/64/166191164.db2.gz UBXVPZAZXGHYEK-NSHDSACASA-N 1 0 233.311 2.125 10 30 BEEERO N#Cc1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071309089 343654864 /nfs/dbraw/zinc/65/48/64/343654864.db2.gz GZHDHNSLATVYGM-CYBMUJFWSA-N 1 0 230.311 2.469 10 30 BEEERO CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1C#N)C(C)C ZINC000054823015 187272485 /nfs/dbraw/zinc/27/24/85/187272485.db2.gz URVPWPALOIWBFY-ZIAGYGMSSA-N 1 0 237.391 2.387 10 30 BEEERO C[C@@H]1CCC[N@H+](CC2(C=O)CCCC2)C1 ZINC000051175435 346975422 /nfs/dbraw/zinc/97/54/22/346975422.db2.gz GYGKMRJIFJIGOY-GFCCVEGCSA-N 1 0 209.333 2.478 10 30 BEEERO C#CCN1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000042859327 187354391 /nfs/dbraw/zinc/35/43/91/187354391.db2.gz PMMYONOQKVJSPL-HUUCEWRRSA-N 1 0 248.414 2.500 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CC12CCOCC2 ZINC000307024293 343907719 /nfs/dbraw/zinc/90/77/19/343907719.db2.gz WASCQDIEJDEODN-VIFPVBQESA-N 1 0 246.148 2.054 10 30 BEEERO C=C([C@@H]([NH3+])[C@@H]1CCCCO1)C(F)(F)F ZINC000307189624 343913325 /nfs/dbraw/zinc/91/33/25/343913325.db2.gz VGPQYRHZMODAOM-JGVFFNPUSA-N 1 0 209.211 2.001 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CC[C@@H]2C[C@@H]21 ZINC000307394042 343927402 /nfs/dbraw/zinc/92/74/02/343927402.db2.gz CMCLSZOSAMAIBH-VGMNWLOBSA-N 1 0 216.122 2.283 10 30 BEEERO COC1CCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000157390516 344045816 /nfs/dbraw/zinc/04/58/16/344045816.db2.gz MQRLBNQXFACTBX-UHFFFAOYSA-N 1 0 245.326 2.185 10 30 BEEERO N#Cc1ccc(NCC[NH2+]C2CC2)cc1Cl ZINC000061847121 344069987 /nfs/dbraw/zinc/06/99/87/344069987.db2.gz QKKSJAWCIDGLAO-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO C=C(CC)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000313485616 344079894 /nfs/dbraw/zinc/07/98/94/344079894.db2.gz SLZDDHGROJWHPD-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157943087 344127870 /nfs/dbraw/zinc/12/78/70/344127870.db2.gz GHFIOECOCUJDQX-YJNKXOJESA-N 1 0 247.386 2.285 10 30 BEEERO COCCCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000234622271 344157079 /nfs/dbraw/zinc/15/70/79/344157079.db2.gz WFSJQRVBXVGSGG-CHWSQXEVSA-N 1 0 224.348 2.475 10 30 BEEERO C=CCC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000132012333 344267197 /nfs/dbraw/zinc/26/71/97/344267197.db2.gz ZDKOSJYESPWPJX-LBPRGKRZSA-N 1 0 207.321 2.136 10 30 BEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cccc(C#N)n2)C1 ZINC000247493537 344288700 /nfs/dbraw/zinc/28/87/00/344288700.db2.gz XBDGILRKJYGXEO-WCQYABFASA-N 1 0 244.342 2.094 10 30 BEEERO C#CCCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132909877 344309376 /nfs/dbraw/zinc/30/93/76/344309376.db2.gz KZIQCUJYFFJDAO-AVGNSLFASA-N 1 0 221.344 2.193 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(Br)cc1F ZINC000166096477 344502795 /nfs/dbraw/zinc/50/27/95/344502795.db2.gz KVUUJOOQUMMNRX-VIFPVBQESA-N 1 0 228.064 2.221 10 30 BEEERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135512344 344506106 /nfs/dbraw/zinc/50/61/06/344506106.db2.gz IAQNWSMQZIGGCA-MNOVXSKESA-N 1 0 215.300 2.184 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000054825561 344471674 /nfs/dbraw/zinc/47/16/74/344471674.db2.gz OWQGWGOGACJMAW-ZIAGYGMSSA-N 1 0 229.327 2.296 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000135497468 344488598 /nfs/dbraw/zinc/48/85/98/344488598.db2.gz KBSRQOYOLBYTKJ-ZJUUUORDSA-N 1 0 236.340 2.013 10 30 BEEERO CC[NH+]1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000395702699 344556260 /nfs/dbraw/zinc/55/62/60/344556260.db2.gz BQMYMHDSUHGPJA-OCCSQVGLSA-N 1 0 235.375 2.143 10 30 BEEERO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C#N)CC[N@@H+]1C ZINC000158154605 344556285 /nfs/dbraw/zinc/55/62/85/344556285.db2.gz MKMPJRFLRXITTR-AAVRWANBSA-N 1 0 235.375 2.141 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000220694141 344568696 /nfs/dbraw/zinc/56/86/96/344568696.db2.gz JHUPTHAMOLLNNW-HTQZYQBOSA-N 1 0 236.178 2.379 10 30 BEEERO CC#CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000155751330 187296426 /nfs/dbraw/zinc/29/64/26/187296426.db2.gz IPDHSEDZIBWCDH-CQSZACIVSA-N 1 0 243.354 2.229 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365851846 534983342 /nfs/dbraw/zinc/98/33/42/534983342.db2.gz HQVWGFGLRFQSNU-QWHCGFSZSA-N 1 0 236.359 2.427 10 30 BEEERO C=C[C@H]([NH3+])c1coc(Br)c1 ZINC000238605053 345090099 /nfs/dbraw/zinc/09/00/99/345090099.db2.gz GBLNELJKHCYPOT-LURJTMIESA-N 1 0 202.051 2.228 10 30 BEEERO C[C@H](C#N)Oc1cccc(Cl)c1C[NH3+] ZINC000127456380 345186608 /nfs/dbraw/zinc/18/66/08/345186608.db2.gz OBMIWACDSGMWKG-SSDOTTSWSA-N 1 0 210.664 2.090 10 30 BEEERO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367987921 345220485 /nfs/dbraw/zinc/22/04/85/345220485.db2.gz IANBDAZUYXBMOP-YNEHKIRRSA-N 1 0 238.375 2.236 10 30 BEEERO CC(C)[C@H]([NH3+])CNc1ccc(F)cc1C#N ZINC000070011003 345272652 /nfs/dbraw/zinc/27/26/52/345272652.db2.gz PLEJADUCWWUALO-LLVKDONJSA-N 1 0 221.279 2.093 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000082544521 345366220 /nfs/dbraw/zinc/36/62/20/345366220.db2.gz DYUWVUNSDMSZEN-CHWSQXEVSA-N 1 0 222.332 2.085 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000134836511 345423422 /nfs/dbraw/zinc/42/34/22/345423422.db2.gz UBCISDPHOFYIGK-NEPJUHHUSA-N 1 0 209.333 2.476 10 30 BEEERO C=C(Cl)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000164063095 345778277 /nfs/dbraw/zinc/77/82/77/345778277.db2.gz KTHMZQJFZLWALR-VHSXEESVSA-N 1 0 203.713 2.022 10 30 BEEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000300379927 345804930 /nfs/dbraw/zinc/80/49/30/345804930.db2.gz MCTPMZLHHMLRSU-WUHRBBMRSA-N 1 0 222.332 2.083 10 30 BEEERO C#CC[NH2+]Cc1ccccc1OC(F)F ZINC000019875659 187314198 /nfs/dbraw/zinc/31/41/98/187314198.db2.gz MXCOTFZZWOCANB-UHFFFAOYSA-N 1 0 211.211 2.011 10 30 BEEERO C#CC[C@H]([NH3+])Cc1c(F)cccc1Cl ZINC000062352176 346242546 /nfs/dbraw/zinc/24/25/46/346242546.db2.gz LFZOYNGJIYTCMH-QMMMGPOBSA-N 1 0 211.667 2.372 10 30 BEEERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC#N)C12CCC2 ZINC000309529874 347093760 /nfs/dbraw/zinc/09/37/60/347093760.db2.gz DCOBPGLKGMULML-GRYCIOLGSA-N 1 0 222.332 2.083 10 30 BEEERO C=C(Cl)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000164062981 346588328 /nfs/dbraw/zinc/58/83/28/346588328.db2.gz KTHMZQJFZLWALR-NXEZZACHSA-N 1 0 203.713 2.022 10 30 BEEERO N#CC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000166444512 346676960 /nfs/dbraw/zinc/67/69/60/346676960.db2.gz NQCVLBQCFLPTOF-UHFFFAOYSA-N 1 0 218.275 2.262 10 30 BEEERO C[C@H]1CCCN(c2ccc(F)cc2C#N)[C@H]1C[NH3+] ZINC000252135139 133648869 /nfs/dbraw/zinc/64/88/69/133648869.db2.gz LKIQDKDHMQJLPC-HZMBPMFUSA-N 1 0 247.317 2.261 10 30 BEEERO Cc1cccc([C@@H](C[NH3+])N(CCC#N)C2CC2)c1 ZINC000042967567 179185452 /nfs/dbraw/zinc/18/54/52/179185452.db2.gz WQFSXOIAZVJBLQ-OAHLLOKOSA-N 1 0 243.354 2.373 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382194669 347227497 /nfs/dbraw/zinc/22/74/97/347227497.db2.gz CVCULQPVWGKGII-WJTVCTBASA-N 1 0 204.317 2.457 10 30 BEEERO COC1(CC[NH2+][C@@H]2CCC[C@@H]2C#N)CCC1 ZINC000310537574 347294160 /nfs/dbraw/zinc/29/41/60/347294160.db2.gz BCRFCWWLUGMBPN-VXGBXAGGSA-N 1 0 222.332 2.227 10 30 BEEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nn(C)cc1CC#N ZINC000675055296 537989553 /nfs/dbraw/zinc/98/95/53/537989553.db2.gz ZJSJANHSDKJTJD-VXGBXAGGSA-N 1 0 246.358 2.249 10 30 BEEERO CC(C)(C)OCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000590959123 347594871 /nfs/dbraw/zinc/59/48/71/347594871.db2.gz GELJPAXXQFVXEG-VXGBXAGGSA-N 1 0 224.348 2.473 10 30 BEEERO Cc1ccccc1NC1(C#N)CC[NH+](C)CC1 ZINC000037938032 179302920 /nfs/dbraw/zinc/30/29/20/179302920.db2.gz IUPDEISYYGPDRE-UHFFFAOYSA-N 1 0 229.327 2.395 10 30 BEEERO Cc1ccnc(NCCC2CC[NH2+]CC2)c1C#N ZINC000593233461 347873191 /nfs/dbraw/zinc/87/31/91/347873191.db2.gz QUTGDPQPKAOVCS-UHFFFAOYSA-N 1 0 244.342 2.063 10 30 BEEERO Cc1cc(C)c(C#N)c(NCC2([NH3+])CCCC2)n1 ZINC000594692028 348100121 /nfs/dbraw/zinc/10/01/21/348100121.db2.gz KNYVLXSDBQXEND-UHFFFAOYSA-N 1 0 244.342 2.254 10 30 BEEERO Cc1cc(C)c(C#N)c(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000596030225 348426185 /nfs/dbraw/zinc/42/61/85/348426185.db2.gz PIUYVFVOKJUPPZ-CYBMUJFWSA-N 1 0 246.358 2.355 10 30 BEEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000596031675 348426687 /nfs/dbraw/zinc/42/66/87/348426687.db2.gz DFJCUYFUSJLCIR-MRVPVSSYSA-N 1 0 223.707 2.231 10 30 BEEERO COCC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCC1 ZINC000383478623 348748130 /nfs/dbraw/zinc/74/81/30/348748130.db2.gz AHIZVOKQSIBWLD-QWHCGFSZSA-N 1 0 236.359 2.475 10 30 BEEERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C)cc1C#N ZINC000599433365 349174213 /nfs/dbraw/zinc/17/42/13/349174213.db2.gz DWPRLGUYMMJKDL-DOMZBBRYSA-N 1 0 244.338 2.212 10 30 BEEERO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1C#N ZINC000599434474 349174429 /nfs/dbraw/zinc/17/44/29/349174429.db2.gz BHCPPHZYEWFTOS-IAQYHMDHSA-N 1 0 244.338 2.069 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCCCO1 ZINC000382265333 349398131 /nfs/dbraw/zinc/39/81/31/349398131.db2.gz LUCZLWSVCNMQGR-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO N#Cc1cccc(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000051815328 350136421 /nfs/dbraw/zinc/13/64/21/350136421.db2.gz RNRMJWYPCDXXKH-CQSZACIVSA-N 1 0 230.311 2.074 10 30 BEEERO OC[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC000365272656 350201201 /nfs/dbraw/zinc/20/12/01/350201201.db2.gz XVWAOMBEMIQLAO-INIZCTEOSA-N 1 0 243.350 2.133 10 30 BEEERO C[C@H]1C[C@H](C)CN(C(=[NH2+])NCc2ccccc2)C1 ZINC000073066881 350232807 /nfs/dbraw/zinc/23/28/07/350232807.db2.gz ZZPHKTFYXIJAHZ-STQMWFEESA-N 1 0 245.370 2.479 10 30 BEEERO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000083640844 350265185 /nfs/dbraw/zinc/26/51/85/350265185.db2.gz RZJWUGDMAWVHQI-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000324539909 350307250 /nfs/dbraw/zinc/30/72/50/350307250.db2.gz RMXODFOBJYQBBD-QJPTWQEYSA-N 1 0 224.348 2.065 10 30 BEEERO CC(C)NC(=[NH2+])NCc1nccc2ccccc21 ZINC000262174527 535123802 /nfs/dbraw/zinc/12/38/02/535123802.db2.gz AYUIQXVFMKSRFN-UHFFFAOYSA-N 1 0 242.326 2.048 10 30 BEEERO COCC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCC1 ZINC000336659262 350422975 /nfs/dbraw/zinc/42/29/75/350422975.db2.gz IZBYUXNWIGCQSG-NWDGAFQWSA-N 1 0 222.332 2.085 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000319949651 350443384 /nfs/dbraw/zinc/44/33/84/350443384.db2.gz BSWVKVCILAGQBC-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCC[N@H+]1CCO ZINC000616613930 350816386 /nfs/dbraw/zinc/81/63/86/350816386.db2.gz FLDIXOWDOKZKDQ-CQSZACIVSA-N 1 0 230.311 2.078 10 30 BEEERO N#Cc1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616601228 350781835 /nfs/dbraw/zinc/78/18/35/350781835.db2.gz MNQIRHCWOUXGTG-CQSZACIVSA-N 1 0 243.354 2.086 10 30 BEEERO CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336682979 350910040 /nfs/dbraw/zinc/91/00/40/350910040.db2.gz DJCOFKOBBIZKGM-JHJVBQTASA-N 1 0 224.348 2.473 10 30 BEEERO C#C[C@@H](CCC)NC(=[NH2+])NCc1ccccc1 ZINC000306794390 351043576 /nfs/dbraw/zinc/04/35/76/351043576.db2.gz HSFFKOOTGZTXCN-ZDUSSCGKSA-N 1 0 229.327 2.102 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616630453 351102376 /nfs/dbraw/zinc/10/23/76/351102376.db2.gz YIBVNWVTFZTQQV-ZDUSSCGKSA-N 1 0 243.354 2.086 10 30 BEEERO N#Cc1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616628281 351097662 /nfs/dbraw/zinc/09/76/62/351097662.db2.gz IQPRYCUJSJHOGZ-OAHLLOKOSA-N 1 0 243.354 2.086 10 30 BEEERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000616638558 351140335 /nfs/dbraw/zinc/14/03/35/351140335.db2.gz YACWDCHVPNRVQM-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO CC(C)[N@@H+]1CCOC[C@H](c2cccc(C#N)c2)C1 ZINC000616658404 351204212 /nfs/dbraw/zinc/20/42/12/351204212.db2.gz DONRDZAAHARQJG-OAHLLOKOSA-N 1 0 244.338 2.382 10 30 BEEERO CC(C)[N@@H+]1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616659483 351207235 /nfs/dbraw/zinc/20/72/35/351207235.db2.gz KGUYISZWKAEZAM-CQSZACIVSA-N 1 0 244.338 2.382 10 30 BEEERO C=C(Br)CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063196188 351275250 /nfs/dbraw/zinc/27/52/50/351275250.db2.gz VYIZUWUNXHPNNT-VHSXEESVSA-N 1 0 247.180 2.097 10 30 BEEERO CC#CC[C@H]([NH3+])c1coc(Br)c1 ZINC000306956825 351381095 /nfs/dbraw/zinc/38/10/95/351381095.db2.gz SCOPMLCMGMZWFG-QMMMGPOBSA-N 1 0 228.089 2.455 10 30 BEEERO CN/C(=[NH+]\C)SC[C@@H]1CCCC1(F)F ZINC000306971925 351394404 /nfs/dbraw/zinc/39/44/04/351394404.db2.gz KOWZFCKSPRUEMJ-ZETCQYMHSA-N 1 0 222.304 2.360 10 30 BEEERO C=CCC[C@@H]([NH3+])CNCc1ccccc1 ZINC000307028907 351430731 /nfs/dbraw/zinc/43/07/31/351430731.db2.gz LSXNMGGVHMOCNH-CYBMUJFWSA-N 1 0 204.317 2.070 10 30 BEEERO C=C[C@H]1[NH2+]CCc2c(Cl)cc(O)cc21 ZINC000075772711 187708634 /nfs/dbraw/zinc/70/86/34/187708634.db2.gz CWQRMXSBDFQFBC-LLVKDONJSA-N 1 0 209.676 2.418 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638875443 353041444 /nfs/dbraw/zinc/04/14/44/353041444.db2.gz UDRJLSARLHOUFB-RYUDHWBXSA-N 1 0 238.375 2.222 10 30 BEEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)cc1F ZINC000111830449 188011320 /nfs/dbraw/zinc/01/13/20/188011320.db2.gz ZRFHFWNOCYMNDS-LLVKDONJSA-N 1 0 235.306 2.483 10 30 BEEERO C[n+]1cccc(/C=C2/CCCCC2=O)c1 ZINC000033956279 188012972 /nfs/dbraw/zinc/01/29/72/188012972.db2.gz UFFHVVDMMFJAID-XFXZXTDPSA-N 1 0 202.277 2.038 10 30 BEEERO CC#CC[C@@H]([NH3+])c1ccoc1Br ZINC000232555651 353128037 /nfs/dbraw/zinc/12/80/37/353128037.db2.gz LXXPYRBIOXBTJU-MRVPVSSYSA-N 1 0 228.089 2.455 10 30 BEEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCCCCC ZINC000049202832 188046338 /nfs/dbraw/zinc/04/63/38/188046338.db2.gz BGCOCXFPUNBVOU-STQMWFEESA-N 1 0 238.375 2.073 10 30 BEEERO C=CC[NH2+]C[C@H](O)c1cc(C)c(OC)cc1C ZINC000049827509 188046439 /nfs/dbraw/zinc/04/64/39/188046439.db2.gz JLDFEZKTOJOFGH-ZDUSSCGKSA-N 1 0 235.327 2.121 10 30 BEEERO C#CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000070073177 353253414 /nfs/dbraw/zinc/25/34/14/353253414.db2.gz OKQLWUQHZGFVGN-LLVKDONJSA-N 1 0 233.311 2.378 10 30 BEEERO N#Cc1cccc(COC[C@H]2CCCC[NH2+]2)c1 ZINC000051815825 188299861 /nfs/dbraw/zinc/29/98/61/188299861.db2.gz JVUNQHXFMDEGAO-CQSZACIVSA-N 1 0 230.311 2.217 10 30 BEEERO CC(C)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049616533 188399720 /nfs/dbraw/zinc/39/97/20/188399720.db2.gz HEXVLZPMVLRNQF-UHFFFAOYSA-N 1 0 235.302 2.010 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000231066767 353560190 /nfs/dbraw/zinc/56/01/90/353560190.db2.gz OREKYHRGDGGHJW-UHFFFAOYSA-N 1 0 229.389 2.429 10 30 BEEERO N#CC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000000022416 181031738 /nfs/dbraw/zinc/03/17/38/181031738.db2.gz SEWOIAWELLOTCE-UHFFFAOYSA-N 1 0 220.703 2.485 10 30 BEEERO N#CCCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000049855903 181036587 /nfs/dbraw/zinc/03/65/87/181036587.db2.gz PMYOKHHTOPEXTP-GFCCVEGCSA-N 1 0 216.284 2.404 10 30 BEEERO C[NH+](C)C(C)(C)COc1ccc(C#N)cc1 ZINC000093955102 353946292 /nfs/dbraw/zinc/94/62/92/353946292.db2.gz UHNCKJSZGONTAJ-UHFFFAOYSA-N 1 0 218.300 2.277 10 30 BEEERO N#CCc1nc2ccccc2n1C1CC[NH2+]CC1 ZINC000075973886 181049835 /nfs/dbraw/zinc/04/98/35/181049835.db2.gz AXWTURGXAKTSBE-UHFFFAOYSA-N 1 0 240.310 2.027 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000061891893 181059485 /nfs/dbraw/zinc/05/94/85/181059485.db2.gz MLGMXVKHBHOPBO-ONGXEEELSA-N 1 0 210.346 2.164 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000061891172 181060922 /nfs/dbraw/zinc/06/09/22/181060922.db2.gz PMRZGBVDLBZINX-CMPLNLGQSA-N 1 0 216.284 2.174 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038051001 181076003 /nfs/dbraw/zinc/07/60/03/181076003.db2.gz AZRYAMSAOXPDEA-WCQYABFASA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(F)ccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000126306670 181088412 /nfs/dbraw/zinc/08/84/12/181088412.db2.gz GRBYMXCRDPPOKG-NWDGAFQWSA-N 1 0 233.290 2.379 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232455013 363373229 /nfs/dbraw/zinc/37/32/29/363373229.db2.gz MNFLKXTXSATERT-ZJUUUORDSA-N 1 0 246.148 2.052 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000037749016 181109478 /nfs/dbraw/zinc/10/94/78/181109478.db2.gz IYDNHHLGFSNONB-HUUCEWRRSA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000037386868 181118548 /nfs/dbraw/zinc/11/85/48/181118548.db2.gz NJHWFUSURVHDQB-UHFFFAOYSA-N 1 0 243.310 2.029 10 30 BEEERO N#CC1(C[N@@H+]2CCC3(C2)CCOCC3)CCC1 ZINC000334644988 354403816 /nfs/dbraw/zinc/40/38/16/354403816.db2.gz AKFBLDSGICNIRG-UHFFFAOYSA-N 1 0 234.343 2.183 10 30 BEEERO N#Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050703 181126293 /nfs/dbraw/zinc/12/62/93/181126293.db2.gz MIFDULJQMFOYTO-STQMWFEESA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1ccc(OCCC[NH+]2CCCC2)c(N)c1 ZINC000049331676 181127127 /nfs/dbraw/zinc/12/71/27/181127127.db2.gz SKZVLCDHVGEWCT-UHFFFAOYSA-N 1 0 245.326 2.005 10 30 BEEERO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334795838 354548858 /nfs/dbraw/zinc/54/88/58/354548858.db2.gz JJZNXMJBHTXHIW-NWDGAFQWSA-N 1 0 207.317 2.063 10 30 BEEERO N#Cc1ccccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050815 181149067 /nfs/dbraw/zinc/14/90/67/181149067.db2.gz VMHUFPYLRTVPEM-AAEUAGOBSA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1ccccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050817 181149427 /nfs/dbraw/zinc/14/94/27/181149427.db2.gz VMHUFPYLRTVPEM-YPMHNXCESA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1cccnc1SC[C@@H]1CCC[NH2+]C1 ZINC000095072070 181154232 /nfs/dbraw/zinc/15/42/32/181154232.db2.gz WHJBHUJJUPIXIP-SNVBAGLBSA-N 1 0 233.340 2.045 10 30 BEEERO N#Cc1cccnc1SC[C@H]1CCCC[NH2+]1 ZINC000095072067 181154237 /nfs/dbraw/zinc/15/42/37/181154237.db2.gz PKSBXDSOPAWHQD-LLVKDONJSA-N 1 0 233.340 2.187 10 30 BEEERO N#Cc1cccnc1SC[C@@H]1CCCC[NH2+]1 ZINC000095072066 181154321 /nfs/dbraw/zinc/15/43/21/181154321.db2.gz PKSBXDSOPAWHQD-NSHDSACASA-N 1 0 233.340 2.187 10 30 BEEERO COC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000234561643 363424915 /nfs/dbraw/zinc/42/49/15/363424915.db2.gz GWBGEKMFSOLOEL-WDEREUQCSA-N 1 0 210.321 2.083 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc(F)c(C)c1 ZINC000049819364 166399056 /nfs/dbraw/zinc/39/90/56/166399056.db2.gz VFTSRFQHZFJYMC-CYBMUJFWSA-N 1 0 223.291 2.333 10 30 BEEERO N#Cc1ncccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000061658677 181170521 /nfs/dbraw/zinc/17/05/21/181170521.db2.gz LLMYROQJGHTECN-GFCCVEGCSA-N 1 0 227.311 2.399 10 30 BEEERO N/C(=N\O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000019440358 181180941 /nfs/dbraw/zinc/18/09/41/181180941.db2.gz YTCFKUVMHUZUDS-UHFFFAOYSA-N 1 0 247.342 2.157 10 30 BEEERO C=CCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167380395 355986973 /nfs/dbraw/zinc/98/69/73/355986973.db2.gz NCYZBQNTFDMVHS-UHFFFAOYSA-N 1 0 230.311 2.237 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300031695 356484965 /nfs/dbraw/zinc/48/49/65/356484965.db2.gz SZQXMXSVFUMBLU-JBDRJPRFSA-N 1 0 203.376 2.125 10 30 BEEERO C=C(Br)CNc1[nH+]c(C)ccc1N ZINC000168193175 356558694 /nfs/dbraw/zinc/55/86/94/356558694.db2.gz SYWAQOLKXFPBAB-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO N#CCC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000088259444 356643974 /nfs/dbraw/zinc/64/39/74/356643974.db2.gz DAGCSVJLNKBSGC-QWHCGFSZSA-N 1 0 234.343 2.324 10 30 BEEERO N#CCC1(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000088259442 356644160 /nfs/dbraw/zinc/64/41/60/356644160.db2.gz DAGCSVJLNKBSGC-CHWSQXEVSA-N 1 0 234.343 2.324 10 30 BEEERO O=C[C@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059186 538484256 /nfs/dbraw/zinc/48/42/56/538484256.db2.gz CGGJLWHSUWUAEE-KOLCDFICSA-N 1 0 231.286 2.237 10 30 BEEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nn(C)cc1CC#N ZINC000675056562 538478974 /nfs/dbraw/zinc/47/89/74/538478974.db2.gz RVYBEQNCAXEYIQ-NWDGAFQWSA-N 1 0 246.358 2.107 10 30 BEEERO N#Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000168284538 134164811 /nfs/dbraw/zinc/16/48/11/134164811.db2.gz JTTBQNOSMPOCCE-QWRGUYRKSA-N 1 0 233.290 2.379 10 30 BEEERO C#C[C@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000130071123 357172662 /nfs/dbraw/zinc/17/26/62/357172662.db2.gz HBSZDKIBGMLQHI-VIFPVBQESA-N 1 0 201.603 2.251 10 30 BEEERO N#Cc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988568 357161818 /nfs/dbraw/zinc/16/18/18/357161818.db2.gz MGNGFEJNCQTNQQ-AWEZNQCLSA-N 1 0 230.311 2.217 10 30 BEEERO C#C[C@H]([NH2+]CC)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300031777 357174586 /nfs/dbraw/zinc/17/45/86/357174586.db2.gz UJNADOJFVZNFBI-RCWTZXSCSA-N 1 0 229.414 2.223 10 30 BEEERO C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000117877216 134221793 /nfs/dbraw/zinc/22/17/93/134221793.db2.gz PARFZZAZNUDPCV-ZDUSSCGKSA-N 1 0 238.375 2.333 10 30 BEEERO C#C[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000130175431 358670255 /nfs/dbraw/zinc/67/02/55/358670255.db2.gz GLAPYPUITQWJEJ-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C=CCSCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132853473 358737589 /nfs/dbraw/zinc/73/75/89/358737589.db2.gz UDBUXLMCAQFHBH-TUAOUCFPSA-N 1 0 241.400 2.309 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1 ZINC000134696148 358802098 /nfs/dbraw/zinc/80/20/98/358802098.db2.gz LUPXVAZCUACABL-HNNXBMFYSA-N 1 0 249.354 2.358 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(C)c(Br)s1 ZINC000130286585 359012482 /nfs/dbraw/zinc/01/24/82/359012482.db2.gz BGLDNJKNPLICRH-ZCFIWIBFSA-N 1 0 230.130 2.452 10 30 BEEERO C#C[C@H]([NH3+])c1cc(F)c(F)cc1Br ZINC000306254059 359465704 /nfs/dbraw/zinc/46/57/04/359465704.db2.gz WBQJCUUAXDVFTP-VIFPVBQESA-N 1 0 246.054 2.360 10 30 BEEERO C#CC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000045945344 359746299 /nfs/dbraw/zinc/74/62/99/359746299.db2.gz KFXWGZHSGCKAKX-UHFFFAOYSA-N 1 0 209.676 2.071 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231349603 359860783 /nfs/dbraw/zinc/86/07/83/359860783.db2.gz VOIAULJJOFSTIP-AXFHLTTASA-N 1 0 210.346 2.164 10 30 BEEERO C#CC[C@@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169284233 360070098 /nfs/dbraw/zinc/07/00/98/360070098.db2.gz ZKCAQIALWNLYBR-SECBINFHSA-N 1 0 211.667 2.372 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(C)(C)C#N ZINC000092628650 360186900 /nfs/dbraw/zinc/18/69/00/360186900.db2.gz UKRFDLQLJDCQKU-ZDUSSCGKSA-N 1 0 237.391 2.342 10 30 BEEERO C=C([C@H](F)[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306499934 360261232 /nfs/dbraw/zinc/26/12/32/360261232.db2.gz LNRYEROAFBERMQ-YUMQZZPRSA-N 1 0 211.202 2.443 10 30 BEEERO C#C[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000306520506 360344400 /nfs/dbraw/zinc/34/44/00/360344400.db2.gz DTPUGLFBDFBAAL-VIFPVBQESA-N 1 0 240.100 2.091 10 30 BEEERO SCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000306561647 360438970 /nfs/dbraw/zinc/43/89/70/360438970.db2.gz TWOHQUWPEOEXDC-LBPRGKRZSA-N 1 0 207.342 2.063 10 30 BEEERO CS[C@@H]1CCC[N@H+](C[C@@H](C)C#N)CC1 ZINC000300806324 360512333 /nfs/dbraw/zinc/51/23/33/360512333.db2.gz GKNUJSOHALABFX-WDEREUQCSA-N 1 0 212.362 2.364 10 30 BEEERO [NH3+]CC#Cc1ccccc1COC1CCCC1 ZINC000049610331 181346896 /nfs/dbraw/zinc/34/68/96/181346896.db2.gz FGIBJAOPRHBFQN-UHFFFAOYSA-N 1 0 229.323 2.456 10 30 BEEERO [NH3+]CC#Cc1ccc(SC(F)F)cc1 ZINC000037470987 181346607 /nfs/dbraw/zinc/34/66/07/181346607.db2.gz ZBCCPZZUWBMBTJ-UHFFFAOYSA-N 1 0 213.252 2.312 10 30 BEEERO CC(=[NH2+])Nc1ccc(C(F)(F)F)nc1 ZINC000214950390 364474077 /nfs/dbraw/zinc/47/40/77/364474077.db2.gz AQNAYUUPAAQYRA-UHFFFAOYSA-N 1 0 203.167 2.109 10 30 BEEERO C=CC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252760726 364673771 /nfs/dbraw/zinc/67/37/71/364673771.db2.gz WWOBWCXOMJXRIU-IRCOFANPSA-N 1 0 209.333 2.354 10 30 BEEERO CCOC(=O)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000081546013 370890042 /nfs/dbraw/zinc/89/00/42/370890042.db2.gz WWZOMIBATSRMFG-RYUDHWBXSA-N 1 0 238.331 2.002 10 30 BEEERO O=CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000034077053 368408230 /nfs/dbraw/zinc/40/82/30/368408230.db2.gz MHGRPEADXUSKAT-UHFFFAOYSA-N 1 0 217.312 2.488 10 30 BEEERO CC[C@H]1CN(c2ccc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000122959647 368977216 /nfs/dbraw/zinc/97/72/16/368977216.db2.gz ZTVNOPUBUZGVCW-AAEUAGOBSA-N 1 0 247.317 2.261 10 30 BEEERO O=C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000054219150 369061335 /nfs/dbraw/zinc/06/13/35/369061335.db2.gz PBJNQMKUMFMVDP-SNVBAGLBSA-N 1 0 209.314 2.159 10 30 BEEERO CC[C@@H]1CN(c2ccc(F)cc2C#N)CC[C@@H]1[NH3+] ZINC000123007137 369070285 /nfs/dbraw/zinc/07/02/85/369070285.db2.gz GWZALSKBUUDJHE-MFKMUULPSA-N 1 0 247.317 2.261 10 30 BEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(F)c1C#N ZINC000600952059 369575265 /nfs/dbraw/zinc/57/52/65/369575265.db2.gz QKQUETSKFIDPRN-WCQYABFASA-N 1 0 233.290 2.250 10 30 BEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1 ZINC000600952534 369578493 /nfs/dbraw/zinc/57/84/93/369578493.db2.gz YESBURISPCWHLR-QWHCGFSZSA-N 1 0 215.300 2.111 10 30 BEEERO Cc1ccnc(N[C@H]2CC[C@H](C[NH3+])CC2)c1C#N ZINC000600962802 369581609 /nfs/dbraw/zinc/58/16/09/369581609.db2.gz MPLPWORWQYTXEK-HAQNSBGRSA-N 1 0 244.342 2.191 10 30 BEEERO C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH3+] ZINC000600961093 369581672 /nfs/dbraw/zinc/58/16/72/369581672.db2.gz LJYWHPQFPAYUOQ-MWLCHTKSSA-N 1 0 249.745 2.243 10 30 BEEERO CC[C@@H]1CN(c2cccc(F)c2C#N)CC[C@H]1[NH3+] ZINC000251775670 369961546 /nfs/dbraw/zinc/96/15/46/369961546.db2.gz MSPSLJBYHSKOGY-ZWNOBZJWSA-N 1 0 247.317 2.261 10 30 BEEERO CC(C)(C)OCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000308514769 370143241 /nfs/dbraw/zinc/14/32/41/370143241.db2.gz UBPHYBXFSMYZDR-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891100 370993520 /nfs/dbraw/zinc/99/35/20/370993520.db2.gz NBUSJKBFWLUPOP-FDYHWXHSSA-N 1 0 222.332 2.226 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891096 370993943 /nfs/dbraw/zinc/99/39/43/370993943.db2.gz CWCJTXBADYTXAU-IJLUTSLNSA-N 1 0 222.332 2.226 10 30 BEEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)cc1F ZINC000070010687 371001571 /nfs/dbraw/zinc/00/15/71/371001571.db2.gz IUFHDYHQCBSZQN-NSHDSACASA-N 1 0 221.279 2.093 10 30 BEEERO C#C[C@H](NCC)c1ccc(Br)cn1 ZINC000133164862 371998792 /nfs/dbraw/zinc/99/87/92/371998792.db2.gz QVCUZOJCBWNMEE-VIFPVBQESA-N 1 0 239.116 2.128 10 30 BEEERO C=C(Cl)CN1C[C@@](C)(CC)[NH2+]C[C@@H]1C ZINC000228825116 372083061 /nfs/dbraw/zinc/08/30/61/372083061.db2.gz KXAGJBVCQHJMES-WDEREUQCSA-N 1 0 216.756 2.201 10 30 BEEERO O=C1c2ccccc2C[N+](=O)C12CCCC2 ZINC000027554772 182845468 /nfs/dbraw/zinc/84/54/68/182845468.db2.gz NOIZMOINMDKHFN-UHFFFAOYSA-N 1 0 215.252 2.125 10 30 BEEERO OCC#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000049716622 183034070 /nfs/dbraw/zinc/03/40/70/183034070.db2.gz HKBUMONEFBHUPD-JKSUJKDBSA-N 1 0 241.334 2.015 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(F)cc1C#CCO ZINC000049617336 169128891 /nfs/dbraw/zinc/12/88/91/169128891.db2.gz JMRXFCIRUYDWSD-UHFFFAOYSA-N 1 0 249.329 2.401 10 30 BEEERO CCC[NH+]1CCN([C@H]2CCCC[C@@H]2C#N)CC1 ZINC000037146444 169205623 /nfs/dbraw/zinc/20/56/23/169205623.db2.gz UXVMZCZXIYDAPS-KGLIPLIRSA-N 1 0 235.375 2.096 10 30 BEEERO CCCN[C@@](C)(C#N)CCOCCOCCC ZINC000104248702 169283546 /nfs/dbraw/zinc/28/35/46/169283546.db2.gz HEXFBHGBEGREBF-CYBMUJFWSA-N 1 0 242.363 2.102 10 30 BEEERO CCC[C@@H](C[NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000076629168 169383475 /nfs/dbraw/zinc/38/34/75/169383475.db2.gz UWQFKYOCHXLNJF-LLVKDONJSA-N 1 0 245.326 2.262 10 30 BEEERO CC(C)(C)OCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000336757295 166683036 /nfs/dbraw/zinc/68/30/36/166683036.db2.gz JZUKRKIRZVMWDA-QWRGUYRKSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]1COC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000174872627 384373616 /nfs/dbraw/zinc/37/36/16/384373616.db2.gz UQZCQDGCWQMSHV-TXEJJXNPSA-N 1 0 224.348 2.426 10 30 BEEERO SCCC1C[NH+](Cc2ccccc2)C1 ZINC000095079027 384355743 /nfs/dbraw/zinc/35/57/43/384355743.db2.gz YPJSFPCQTGKJNR-UHFFFAOYSA-N 1 0 207.342 2.438 10 30 BEEERO Cc1ccncc1N[C@H]1CC[C@H](C#N)C1 ZINC000335599758 384370430 /nfs/dbraw/zinc/37/04/30/384370430.db2.gz OQYJHVNYJCDREX-QWRGUYRKSA-N 1 0 201.273 2.494 10 30 BEEERO C[C@@H](Nc1ccc(Cl)cc1C#N)[C@H](C)[NH3+] ZINC000335846326 384527048 /nfs/dbraw/zinc/52/70/48/384527048.db2.gz ZXJRSHAOUNLDQD-JGVFFNPUSA-N 1 0 223.707 2.359 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000300364828 384698114 /nfs/dbraw/zinc/69/81/14/384698114.db2.gz HMWOCMYHGGFSFN-WCFLWFBJSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000300368603 384704553 /nfs/dbraw/zinc/70/45/53/384704553.db2.gz RZEFRRHLRJVASI-XQQFMLRXSA-N 1 0 222.332 2.227 10 30 BEEERO N#Cc1ccc(N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000084548712 384743489 /nfs/dbraw/zinc/74/34/89/384743489.db2.gz OWGLPROIRWGMJE-UHFFFAOYSA-N 1 0 241.338 2.138 10 30 BEEERO C=CC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901174 384885887 /nfs/dbraw/zinc/88/58/87/384885887.db2.gz WIRADGHKJQPSFJ-GFCCVEGCSA-N 1 0 205.305 2.014 10 30 BEEERO C#CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000037211287 385005204 /nfs/dbraw/zinc/00/52/04/385005204.db2.gz AZBIIONBTKDCRM-UHFFFAOYSA-N 1 0 232.302 2.335 10 30 BEEERO C[NH+](C)CCc1c[nH]c2ccc(CC#N)cc12 ZINC000022001126 385163076 /nfs/dbraw/zinc/16/30/76/385163076.db2.gz XSWHRQHRDZMNER-UHFFFAOYSA-N 1 0 227.311 2.338 10 30 BEEERO C=CC[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000309120114 385424613 /nfs/dbraw/zinc/42/46/13/385424613.db2.gz NIFSILIYIGTTOJ-BPCQOVAHSA-N 1 0 211.349 2.339 10 30 BEEERO C=CC[NH2+][C@@H]1CCCCCC[C@H]1C(=O)OC ZINC000309442590 385583256 /nfs/dbraw/zinc/58/32/56/385583256.db2.gz IXPLUKFIWJZBKP-VXGBXAGGSA-N 1 0 225.332 2.274 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000309448418 385587768 /nfs/dbraw/zinc/58/77/68/385587768.db2.gz LXAYDMDGRQWWNJ-FVCCEPFGSA-N 1 0 222.332 2.083 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C1CCC1 ZINC000595484109 385630258 /nfs/dbraw/zinc/63/02/58/385630258.db2.gz XWEPBMSEIIOHDX-YNEHKIRRSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCO1 ZINC000185776298 385738689 /nfs/dbraw/zinc/73/86/89/385738689.db2.gz BEIIPJWHQVMNNT-WUHRBBMRSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCOC1 ZINC000309589769 385721051 /nfs/dbraw/zinc/72/10/51/385721051.db2.gz ULSATMDYARTERU-UMSGYPCISA-N 1 0 222.332 2.083 10 30 BEEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000309235965 386009581 /nfs/dbraw/zinc/00/95/81/386009581.db2.gz XMKWJGGCVKZZAJ-WPRPVWTQSA-N 1 0 221.329 2.293 10 30 BEEERO C=C[C@]1(O)C[C@H](C)[N@@H+](C)[C@H]2CCCC[C@H]21 ZINC000006066730 386821801 /nfs/dbraw/zinc/82/18/01/386821801.db2.gz DNTLHLDYMDJBDF-RNJOBUHISA-N 1 0 209.333 2.186 10 30 BEEERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335792099 386928024 /nfs/dbraw/zinc/92/80/24/386928024.db2.gz FPMRFZDCFZKWCQ-BETUJISGSA-N 1 0 244.338 2.362 10 30 BEEERO C=C(Br)C[NH2+][C@@]1(C)C[C@H]1C ZINC000575575192 386990898 /nfs/dbraw/zinc/99/08/98/386990898.db2.gz DSCMWGXXWBGVGR-SVRRBLITSA-N 1 0 204.111 2.283 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398796614 386993868 /nfs/dbraw/zinc/99/38/68/386993868.db2.gz PRRNEOAMFGYLFY-RWMBFGLXSA-N 1 0 236.359 2.019 10 30 BEEERO C=CC1([NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000536955406 387167938 /nfs/dbraw/zinc/16/79/38/387167938.db2.gz SMQIBDRAECHBOA-UHFFFAOYSA-N 1 0 208.349 2.027 10 30 BEEERO C[NH2+]CCC#Cc1ccc(Br)cc1 ZINC000575523912 387456535 /nfs/dbraw/zinc/45/65/35/387456535.db2.gz ZHBGVMTYFASHQM-UHFFFAOYSA-N 1 0 238.128 2.410 10 30 BEEERO CN/C(=[NH+]\C)SC[C@H]1CC1(Cl)Cl ZINC000306289912 387549094 /nfs/dbraw/zinc/54/90/94/387549094.db2.gz PAYRUIXZIHHGHW-RXMQYKEDSA-N 1 0 227.160 2.119 10 30 BEEERO C=C[C@@H]([NH3+])c1ncsc1Br ZINC000575569358 387731208 /nfs/dbraw/zinc/73/12/08/387731208.db2.gz CQLXHLBFTJRQHO-SCSAIBSYSA-N 1 0 219.107 2.091 10 30 BEEERO C=C(C)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245200004 387943368 /nfs/dbraw/zinc/94/33/68/387943368.db2.gz GPJYEGPIWXHKEN-UPJWGTAASA-N 1 0 237.343 2.369 10 30 BEEERO CC(C)(CCC#N)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000245556745 387960071 /nfs/dbraw/zinc/96/00/71/387960071.db2.gz JHNREXGXKWCRPS-AWEZNQCLSA-N 1 0 249.402 2.486 10 30 BEEERO C=CCCCCC[N@H+]1CC[C@@H](CCO)C1 ZINC000236504759 388379706 /nfs/dbraw/zinc/37/97/06/388379706.db2.gz PDJFNENGJSVYQO-ZDUSSCGKSA-N 1 0 211.349 2.437 10 30 BEEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000086500182 256795194 /nfs/dbraw/zinc/79/51/94/256795194.db2.gz ZVGGUYGSNWJKLH-JOYOIKCWSA-N 1 0 236.340 2.277 10 30 BEEERO C/[N+](O)=C\c1ccc(C(F)(F)F)cc1 ZINC000225402425 388680369 /nfs/dbraw/zinc/68/03/69/388680369.db2.gz OHOVWQNOFQYNRL-AWNIVKPZSA-N 1 0 204.171 2.156 10 30 BEEERO C=CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227381145 388750174 /nfs/dbraw/zinc/75/01/74/388750174.db2.gz YZGKTCKLNYKOHR-QWHCGFSZSA-N 1 0 209.333 2.190 10 30 BEEERO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000282401545 388815961 /nfs/dbraw/zinc/81/59/61/388815961.db2.gz YPNCIAQBUOKFPQ-QWRGUYRKSA-N 1 0 248.326 2.444 10 30 BEEERO CC1(C)C[C@@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575512335 389011356 /nfs/dbraw/zinc/01/13/56/389011356.db2.gz NLKQEKPLABTNQU-HNNXBMFYSA-N 1 0 243.354 2.201 10 30 BEEERO N#Cc1cc(Cl)ccc1N1CCC(C[NH3+])CC1 ZINC000052858747 132229495 /nfs/dbraw/zinc/22/94/95/132229495.db2.gz ONOASUXNURBOFW-UHFFFAOYSA-N 1 0 249.745 2.387 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2Cl)CC[NH2+]1 ZINC000062790635 132388824 /nfs/dbraw/zinc/38/88/24/132388824.db2.gz IKBGJXROSQJFKT-SECBINFHSA-N 1 0 235.718 2.010 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1ccccc1C#N ZINC000063169522 132389238 /nfs/dbraw/zinc/38/92/38/132389238.db2.gz LYTVRZCTUQFHHD-CYBMUJFWSA-N 1 0 229.327 2.137 10 30 BEEERO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)[NH2+]1 ZINC000070078801 132390947 /nfs/dbraw/zinc/39/09/47/132390947.db2.gz BRNYWFLTUIWMOS-NXEZZACHSA-N 1 0 249.745 2.398 10 30 BEEERO C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)[NH2+]1 ZINC000070078800 132391114 /nfs/dbraw/zinc/39/11/14/132391114.db2.gz BRNYWFLTUIWMOS-UWVGGRQHSA-N 1 0 249.745 2.398 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1ccccc1C ZINC000073755113 133648984 /nfs/dbraw/zinc/64/89/84/133648984.db2.gz NUIWCHXZAXIUTK-GXTWGEPZSA-N 1 0 245.370 2.411 10 30 BEEERO N#CC1(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCC1 ZINC000336190589 134123336 /nfs/dbraw/zinc/12/33/36/134123336.db2.gz HWQRVMQEMQTRNJ-DZGCQCFKSA-N 1 0 248.370 2.307 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000168284440 134164839 /nfs/dbraw/zinc/16/48/39/134164839.db2.gz JTTBQNOSMPOCCE-WDEREUQCSA-N 1 0 233.290 2.379 10 30 BEEERO CC#CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000119280853 134225856 /nfs/dbraw/zinc/22/58/56/134225856.db2.gz RXXTWJSSOIPXJS-ZDUSSCGKSA-N 1 0 231.343 2.197 10 30 BEEERO C=CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000175015909 134284265 /nfs/dbraw/zinc/28/42/65/134284265.db2.gz PSFOZDGVPUNSSQ-CHWSQXEVSA-N 1 0 236.359 2.038 10 30 BEEERO C[C@@H](C#N)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000181647036 134338339 /nfs/dbraw/zinc/33/83/39/134338339.db2.gz GTPQMBRYTKGQES-LSDHHAIUSA-N 1 0 249.402 2.342 10 30 BEEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000185249769 134375548 /nfs/dbraw/zinc/37/55/48/134375548.db2.gz BLHCJVNCCVRKKL-QWHCGFSZSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCC[C@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000125325315 134608352 /nfs/dbraw/zinc/60/83/52/134608352.db2.gz REWJFTSTCWHLQK-STQMWFEESA-N 1 0 209.333 2.500 10 30 BEEERO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759567 134710663 /nfs/dbraw/zinc/71/06/63/134710663.db2.gz HPCKQVOIRYFEPF-OAHLLOKOSA-N 1 0 244.338 2.295 10 30 BEEERO C[C@H]([NH3+])CCNc1cc(C#N)c2ccccc2n1 ZINC000068771077 134894695 /nfs/dbraw/zinc/89/46/95/134894695.db2.gz VNNVFHWDJZSLFX-JTQLQIEISA-N 1 0 240.310 2.256 10 30 BEEERO CC(C)[C@@H]([NH3+])CNc1cccc(F)c1C#N ZINC000070010567 134906369 /nfs/dbraw/zinc/90/63/69/134906369.db2.gz ILBZPCKCRSKTPJ-NSHDSACASA-N 1 0 221.279 2.093 10 30 BEEERO CC#CCC[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000248398141 135005476 /nfs/dbraw/zinc/00/54/76/135005476.db2.gz SUCFPDAEIUGUTE-RDBSUJKOSA-N 1 0 249.354 2.206 10 30 BEEERO C[C@H](C#N)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248477720 135013043 /nfs/dbraw/zinc/01/30/43/135013043.db2.gz YXWOUSUMSMTHPY-KFWWJZLASA-N 1 0 249.402 2.485 10 30 BEEERO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000086500316 135088512 /nfs/dbraw/zinc/08/85/12/135088512.db2.gz DQYKDZUFEQAJIL-NEPJUHHUSA-N 1 0 236.340 2.013 10 30 BEEERO CC1(C)CN(c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000259299871 135142889 /nfs/dbraw/zinc/14/28/89/135142889.db2.gz PQCOHDACVJFFLK-ZDUSSCGKSA-N 1 0 229.327 2.122 10 30 BEEERO C[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549109 135187946 /nfs/dbraw/zinc/18/79/46/135187946.db2.gz GZMZCMJNYMOFDR-WFASDCNBSA-N 1 0 243.354 2.117 10 30 BEEERO C[C@H]1CCN(c2cccc(F)c2C#N)[C@H](C[NH3+])C1 ZINC000261551405 135190846 /nfs/dbraw/zinc/19/08/46/135190846.db2.gz UVEVGFGIGIYVIL-QWRGUYRKSA-N 1 0 247.317 2.261 10 30 BEEERO CC1(C)CN(c2ccc(F)cc2C#N)CC[C@@H]1[NH3+] ZINC000261583128 135224070 /nfs/dbraw/zinc/22/40/70/135224070.db2.gz ROXFZKUJKXPRKT-ZDUSSCGKSA-N 1 0 247.317 2.261 10 30 BEEERO CC1(C)CN(c2ccc(F)cc2C#N)CC[C@H]1[NH3+] ZINC000261583127 135224161 /nfs/dbraw/zinc/22/41/61/135224161.db2.gz ROXFZKUJKXPRKT-CYBMUJFWSA-N 1 0 247.317 2.261 10 30 BEEERO CC[C@]1(C)CCN(C(N[C@H]2CC2(C)C)=[NH+]C)C1 ZINC000261726469 135248098 /nfs/dbraw/zinc/24/80/98/135248098.db2.gz IZHJROZIZMLEAW-SMDDNHRTSA-N 1 0 237.391 2.482 10 30 BEEERO CCC[C@@H]1C[C@@H]1NC(NCc1ccco1)=[NH+]C ZINC000262360255 135296935 /nfs/dbraw/zinc/29/69/35/135296935.db2.gz GQSYRFMQSDCPSU-PWSUYJOCSA-N 1 0 235.331 2.133 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262398532 135298909 /nfs/dbraw/zinc/29/89/09/135298909.db2.gz GZTQBFJEFFDQFL-IJLUTSLNSA-N 1 0 223.364 2.222 10 30 BEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[C@H]1C ZINC000262472060 135301126 /nfs/dbraw/zinc/30/11/26/135301126.db2.gz GWVOJPLNTOEGMO-NXEZZACHSA-N 1 0 243.420 2.092 10 30 BEEERO C[N@H+](CCCC(C)(C)C#N)CC1CC(O)C1 ZINC000084451951 135304357 /nfs/dbraw/zinc/30/43/57/135304357.db2.gz KTDUETMXFBAAHJ-UHFFFAOYSA-N 1 0 224.348 2.019 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(C)CC1 ZINC000262538534 135304455 /nfs/dbraw/zinc/30/44/55/135304455.db2.gz KMNDJBRLXPIONQ-LLVKDONJSA-N 1 0 223.364 2.092 10 30 BEEERO Cc1ccc(Cl)cc1CNC1=[NH+]C[C@H](C)N1 ZINC000262688750 135313638 /nfs/dbraw/zinc/31/36/38/135313638.db2.gz ZOGMRHWFDUZMLS-VIFPVBQESA-N 1 0 237.734 2.086 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263036856 135328118 /nfs/dbraw/zinc/32/81/18/135328118.db2.gz IBCMVJVOJOTBQO-GFCCVEGCSA-N 1 0 245.326 2.112 10 30 BEEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)NCC1CCC1 ZINC000263137876 135334786 /nfs/dbraw/zinc/33/47/86/135334786.db2.gz NVBZVELKORNJLZ-RDBSUJKOSA-N 1 0 247.386 2.293 10 30 BEEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])NC(C)C ZINC000263186719 135338236 /nfs/dbraw/zinc/33/82/36/135338236.db2.gz UYZVDPQKVXYVEV-PWSUYJOCSA-N 1 0 211.353 2.124 10 30 BEEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])NCC(C)C ZINC000263192278 135338844 /nfs/dbraw/zinc/33/88/44/135338844.db2.gz VXASDGUNNZSTKN-YPMHNXCESA-N 1 0 225.380 2.371 10 30 BEEERO CN1CCC[NH+]=C1NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000263211908 135339943 /nfs/dbraw/zinc/33/99/43/135339943.db2.gz ZERNQWLXQRWBMS-KBPBESRZSA-N 1 0 249.402 2.484 10 30 BEEERO C[NH+]=C(N[C@H]1CC1(C)C)NC1CCCCC1 ZINC000263248584 135342712 /nfs/dbraw/zinc/34/27/12/135342712.db2.gz NXFWDHTTZURHOE-NSHDSACASA-N 1 0 223.364 2.283 10 30 BEEERO C[NH+]=C(NCc1cccs1)N[C@H](C)C(C)C ZINC000263252134 135343017 /nfs/dbraw/zinc/34/30/17/135343017.db2.gz PHJWPIFKADLHHC-SNVBAGLBSA-N 1 0 239.388 2.458 10 30 BEEERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCCC#N ZINC000081568059 135387216 /nfs/dbraw/zinc/38/72/16/135387216.db2.gz REYJHVZPMUJXSA-LLVKDONJSA-N 1 0 240.347 2.342 10 30 BEEERO CC[C@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000082579312 135438904 /nfs/dbraw/zinc/43/89/04/135438904.db2.gz RCKLTNJQGJAKKR-JTQLQIEISA-N 1 0 223.707 2.361 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000602883538 398082032 /nfs/dbraw/zinc/08/20/32/398082032.db2.gz JANQUPRLJACSAD-FRRDWIJNSA-N 1 0 236.359 2.473 10 30 BEEERO N#Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000195305897 398132771 /nfs/dbraw/zinc/13/27/71/398132771.db2.gz YQDPQSQDHWDRKK-UHFFFAOYSA-N 1 0 241.338 2.233 10 30 BEEERO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCSC1 ZINC000130536747 487604318 /nfs/dbraw/zinc/60/43/18/487604318.db2.gz NBWNNSGINNANFU-SECBINFHSA-N 1 0 222.313 2.089 10 30 BEEERO C=CC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000662630478 409801719 /nfs/dbraw/zinc/80/17/19/409801719.db2.gz JXYNYRQVQXBFSB-QWHCGFSZSA-N 1 0 238.375 2.175 10 30 BEEERO C=CCN(C(=O)[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000061612129 166311296 /nfs/dbraw/zinc/31/12/96/166311296.db2.gz SIMKRDUWMXOCPH-CQSZACIVSA-N 1 0 246.354 2.152 10 30 BEEERO C=CC[NH+](CC=C)Cc1ccc(N)cc1 ZINC000020071234 166334837 /nfs/dbraw/zinc/33/48/37/166334837.db2.gz FTJYLCVVNRUOER-UHFFFAOYSA-N 1 0 202.301 2.443 10 30 BEEERO C=CCN(CC=C)c1ncccc1C[NH2+]CC ZINC000051398929 166340060 /nfs/dbraw/zinc/34/00/60/166340060.db2.gz SKMXYNSXTSWZSX-UHFFFAOYSA-N 1 0 231.343 2.370 10 30 BEEERO C=CCN1C[C@H]([NH3+])c2cc(Cl)ccc21 ZINC000039941582 166361858 /nfs/dbraw/zinc/36/18/58/166361858.db2.gz PZTVAEMSUMUMOW-JTQLQIEISA-N 1 0 208.692 2.346 10 30 BEEERO C=CC[NH2+]CCC(=O)c1ccc(Cl)c(N)c1 ZINC000098126484 166399097 /nfs/dbraw/zinc/39/90/97/166399097.db2.gz ZSDRXMJECHHLED-UHFFFAOYSA-N 1 0 238.718 2.271 10 30 BEEERO CC(C)CCN(CC[NH3+])c1ccccc1C#N ZINC000076614750 166834374 /nfs/dbraw/zinc/83/43/74/166834374.db2.gz PSVJJPVVPMFUJY-UHFFFAOYSA-N 1 0 231.343 2.369 10 30 BEEERO CC(C)[NH2+]CCCC(=O)Nc1cccc(C#N)c1 ZINC000037632642 167101497 /nfs/dbraw/zinc/10/14/97/167101497.db2.gz UDVWHKUCAWVZTI-UHFFFAOYSA-N 1 0 245.326 2.275 10 30 BEEERO CC(C)[NH2+]C[C@@H](O)CON=C(C(C)C)C(C)C ZINC000029338987 167110457 /nfs/dbraw/zinc/11/04/57/167110457.db2.gz XNJXFNHWGCKLLC-GFCCVEGCSA-N 1 0 244.379 2.030 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)CC1CCC1 ZINC000061482553 167141738 /nfs/dbraw/zinc/14/17/38/167141738.db2.gz KXKSIBRSSRFEEI-AWEZNQCLSA-N 1 0 237.391 2.389 10 30 BEEERO CC(C)[C@@H](C[NH+](C)C)NCc1ccccc1C#N ZINC000049216049 167394957 /nfs/dbraw/zinc/39/49/57/167394957.db2.gz JYGWSDMGVXVAAJ-OAHLLOKOSA-N 1 0 245.370 2.234 10 30 BEEERO CC1CCC(CO)([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054829920 168156294 /nfs/dbraw/zinc/15/62/94/168156294.db2.gz GAIANRRMLGEFCQ-DKNRTOFZSA-N 1 0 236.359 2.209 10 30 BEEERO CC1CC[NH+](Cc2cccc(/C(N)=N/O)c2)CC1 ZINC000019479523 168183892 /nfs/dbraw/zinc/18/38/92/168183892.db2.gz YFMRXAUPDTUBPN-UHFFFAOYSA-N 1 0 247.342 2.013 10 30 BEEERO CC1CC[NH+](Cc2ccc(C#CCO)cc2)CC1 ZINC000049615538 168184681 /nfs/dbraw/zinc/18/46/81/168184681.db2.gz MTXYUTGSAVOZKY-UHFFFAOYSA-N 1 0 243.350 2.262 10 30 BEEERO CC1CC[NH+](Cc2cccc(C#CCO)c2)CC1 ZINC000049615548 168184971 /nfs/dbraw/zinc/18/49/71/168184971.db2.gz KNBCVYNVISSBJC-UHFFFAOYSA-N 1 0 243.350 2.262 10 30 BEEERO CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616687272 411415324 /nfs/dbraw/zinc/41/53/24/411415324.db2.gz RJZQXNNAEDOGBS-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC[NH2+][C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 ZINC000050618763 170142619 /nfs/dbraw/zinc/14/26/19/170142619.db2.gz PNLCPYQYNIEYIU-VIFPVBQESA-N 1 0 242.282 2.279 10 30 BEEERO CCN[C@@](C)(C#N)CCc1ccc2c(c1)OCO2 ZINC000020379584 170155241 /nfs/dbraw/zinc/15/52/41/170155241.db2.gz XBTXVHSUXWCMSY-CQSZACIVSA-N 1 0 246.310 2.240 10 30 BEEERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095091512 170168532 /nfs/dbraw/zinc/16/85/32/170168532.db2.gz PCLWSIIGZPVSTC-GJZGRUSLSA-N 1 0 244.338 2.115 10 30 BEEERO CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC[NH+](C)C)C1 ZINC000104202045 171026806 /nfs/dbraw/zinc/02/68/06/171026806.db2.gz YUFJAFMVLNWGFF-HZSPNIEDSA-N 1 0 237.391 2.198 10 30 BEEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042479298 171027387 /nfs/dbraw/zinc/02/73/87/171027387.db2.gz VGYARSJTEJOZHB-MBNYWOFBSA-N 1 0 236.359 2.162 10 30 BEEERO CC[C@@](C)(C=O)C[N@H+](C)CCc1ccccn1 ZINC000051176239 171164048 /nfs/dbraw/zinc/16/40/48/171164048.db2.gz RIPXCYIOJJGALM-CQSZACIVSA-N 1 0 234.343 2.171 10 30 BEEERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127419210 171185295 /nfs/dbraw/zinc/18/52/95/171185295.db2.gz ITAPJENMOPQSCO-JOYOIKCWSA-N 1 0 238.356 2.431 10 30 BEEERO CC[C@H](C#N)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000104053966 171218886 /nfs/dbraw/zinc/21/88/86/171218886.db2.gz HGAWTMJNXXXFMO-CYBMUJFWSA-N 1 0 237.391 2.342 10 30 BEEERO CC[C@H](C)C[C@@](C#N)(CC)N1CCC[NH2+]CC1 ZINC000037940367 171296956 /nfs/dbraw/zinc/29/69/56/171296956.db2.gz UTXMAPAVLBMALO-UONOGXRCSA-N 1 0 237.391 2.390 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049617220 171308586 /nfs/dbraw/zinc/30/85/86/171308586.db2.gz VCSQTSUIGNDWQC-LBPRGKRZSA-N 1 0 249.329 2.400 10 30 BEEERO CC[C@H](C)OCc1ccc(F)cc1C#CC[NH3+] ZINC000049611114 171355113 /nfs/dbraw/zinc/35/51/13/171355113.db2.gz LXKZUAXABDCRQY-NSHDSACASA-N 1 0 235.302 2.451 10 30 BEEERO C=CCC1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCC1 ZINC000662889555 412337232 /nfs/dbraw/zinc/33/72/32/412337232.db2.gz XTSQGCGEWYFSHB-NEPJUHHUSA-N 1 0 236.359 2.119 10 30 BEEERO C=CCC1(NC(=O)[C@H]([NH3+])CCC)CCCC1 ZINC000662889308 412337304 /nfs/dbraw/zinc/33/73/04/412337304.db2.gz WJYUSLHBXQLSHZ-LLVKDONJSA-N 1 0 224.348 2.119 10 30 BEEERO C[NH+](C)[C@H]1CCN([C@@H]2CCCCC[C@@H]2C#N)C1 ZINC000062965596 172540366 /nfs/dbraw/zinc/54/03/66/172540366.db2.gz HEHMTYWFKRUZIK-HZSPNIEDSA-N 1 0 235.375 2.095 10 30 BEEERO C[N@@H+]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000048935650 173019469 /nfs/dbraw/zinc/01/94/69/173019469.db2.gz LGPHTHXAKIECFY-UHFFFAOYSA-N 1 0 249.745 2.354 10 30 BEEERO C[NH2+]C[C@H](C)Oc1cc(Cl)ccc1C#N ZINC000062786572 173376126 /nfs/dbraw/zinc/37/61/26/173376126.db2.gz DAZXCFUBCXKQLB-QMMMGPOBSA-N 1 0 224.691 2.198 10 30 BEEERO COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000042518259 174285577 /nfs/dbraw/zinc/28/55/77/174285577.db2.gz JWCNEHBXMSUBNN-OUCADQQQSA-N 1 0 236.359 2.426 10 30 BEEERO COc1ccc(C#N)c(OCC[NH+]2CCCC2)c1 ZINC000011890497 175051347 /nfs/dbraw/zinc/05/13/47/175051347.db2.gz KKVGIEXJXYFZPK-UHFFFAOYSA-N 1 0 246.310 2.041 10 30 BEEERO COc1ccc(C#CC[NH3+])cc1COCC(C)C ZINC000049610723 175051414 /nfs/dbraw/zinc/05/14/14/175051414.db2.gz MIJGHRJMLUHYDH-UHFFFAOYSA-N 1 0 247.338 2.178 10 30 BEEERO COc1ccc(CC[NH3+])cc1OCCCCC#N ZINC000049578991 175090440 /nfs/dbraw/zinc/09/04/40/175090440.db2.gz PHQKVWFTEUECRI-UHFFFAOYSA-N 1 0 248.326 2.269 10 30 BEEERO COc1ccc(C[NH3+])c(OCCCCC#N)c1 ZINC000049578352 175096899 /nfs/dbraw/zinc/09/68/99/175096899.db2.gz UACGSHIYDOIVLA-UHFFFAOYSA-N 1 0 234.299 2.227 10 30 BEEERO COc1ccccc1CNC1=[NH+]CCCS1 ZINC000034971940 175319548 /nfs/dbraw/zinc/31/95/48/175319548.db2.gz ZXVYDFFMXJOOFI-UHFFFAOYSA-N 1 0 236.340 2.278 10 30 BEEERO C[C@@H]([NH3+])c1ccc(N(CC#N)CC#N)c(Cl)c1 ZINC000061694139 175817606 /nfs/dbraw/zinc/81/76/06/175817606.db2.gz STUNTKBRPANHDC-SECBINFHSA-N 1 0 248.717 2.213 10 30 BEEERO C[C@@H](S)[C@H]1[NH2+]CCc2ccc(F)cc21 ZINC000083664472 176007042 /nfs/dbraw/zinc/00/70/42/176007042.db2.gz BJHWKRRPRARMDG-RDDDGLTNSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H](S)[C@@H]1[NH2+]CCc2cccc(F)c21 ZINC000083730142 176007581 /nfs/dbraw/zinc/00/75/81/176007581.db2.gz AUSBTWCUPHWKCT-HQJQHLMTSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940358 176052308 /nfs/dbraw/zinc/05/23/08/176052308.db2.gz JTCPKCFSUXWDQT-HIFRSBDPSA-N 1 0 249.402 2.390 10 30 BEEERO C[C@@H]1CC(C)(C)C[C@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019267340 176052624 /nfs/dbraw/zinc/05/26/24/176052624.db2.gz QEZKTNYIDLEWEC-TZMCWYRMSA-N 1 0 235.375 2.000 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000124326021 176110306 /nfs/dbraw/zinc/11/03/06/176110306.db2.gz SAQGSKZBUJUMPB-LLVKDONJSA-N 1 0 240.310 2.190 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2ccccc2C#CCCO)C1 ZINC000049613584 176175256 /nfs/dbraw/zinc/17/52/56/176175256.db2.gz IIZLYCPUEKIZLZ-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000047934885 176219133 /nfs/dbraw/zinc/21/91/33/176219133.db2.gz UZTFKNPHQOZHCI-UMVBOHGHSA-N 1 0 249.402 2.341 10 30 BEEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1[NH+](C)C ZINC000251837925 176320354 /nfs/dbraw/zinc/32/03/54/176320354.db2.gz QDMWYYCVHAEEJP-QMTHXVAHSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000311062946 176621290 /nfs/dbraw/zinc/62/12/90/176621290.db2.gz KJGHUVORVWTYEC-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO C[C@H]([NH3+])[C@H](c1ccccc1)N(CCC#N)C1CC1 ZINC000042902509 176771554 /nfs/dbraw/zinc/77/15/54/176771554.db2.gz UEZAJSMPIIEVNQ-SWLSCSKDSA-N 1 0 243.354 2.453 10 30 BEEERO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCCO1 ZINC000136256641 176875701 /nfs/dbraw/zinc/87/57/01/176875701.db2.gz ATSNCYUKEMVCKA-IINYFYTJSA-N 1 0 248.301 2.354 10 30 BEEERO C[C@H](S)[C@H]1[NH2+]CCc2cccc(F)c21 ZINC000083730136 177025830 /nfs/dbraw/zinc/02/58/30/177025830.db2.gz AUSBTWCUPHWKCT-WRWORJQWSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H](S)[C@@H]1[NH2+]CCc2ccc(F)cc21 ZINC000083664473 177026022 /nfs/dbraw/zinc/02/60/22/177026022.db2.gz BJHWKRRPRARMDG-CPCISQLKSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049615263 177110922 /nfs/dbraw/zinc/11/09/22/177110922.db2.gz ZQDBEEJXDNWBEZ-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613631 177163604 /nfs/dbraw/zinc/16/36/04/177163604.db2.gz CCDSIBPLVCNOLH-LBPRGKRZSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049613628 177163787 /nfs/dbraw/zinc/16/37/87/177163787.db2.gz KWYJKDHUSGJGRG-LBPRGKRZSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(F)cc1C#N ZINC000335656500 177175415 /nfs/dbraw/zinc/17/54/15/177175415.db2.gz KHWDOQFLKZNWRT-TVQRCGJNSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000052288175 177385217 /nfs/dbraw/zinc/38/52/17/177385217.db2.gz JLDCZBSZSWDSIQ-QPUJVOFHSA-N 1 0 204.248 2.195 10 30 BEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000129533329 177394923 /nfs/dbraw/zinc/39/49/23/177394923.db2.gz XLIQDPMUVWJTHJ-MFKMUULPSA-N 1 0 215.300 2.111 10 30 BEEERO Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308241885 229422231 /nfs/dbraw/zinc/42/22/31/229422231.db2.gz QDBMEIOIWDKESH-SMDDNHRTSA-N 1 0 244.342 2.191 10 30 BEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399301998 267222644 /nfs/dbraw/zinc/22/26/44/267222644.db2.gz PBDUQQDYINNKAN-GXFFZTMASA-N 1 0 248.301 2.043 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1cccc(F)c1C#N ZINC000320631894 323576373 /nfs/dbraw/zinc/57/63/73/323576373.db2.gz BVNLGYPHXCXEOW-DTWKUNHWSA-N 1 0 221.279 2.235 10 30 BEEERO CC#CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000162005216 323583931 /nfs/dbraw/zinc/58/39/31/323583931.db2.gz PJEOPLTTWMUICB-UHFFFAOYSA-N 1 0 203.329 2.424 10 30 BEEERO CC(C)(C)OCC[NH2+]Cc1ccc(C#N)cc1 ZINC000122181105 324032664 /nfs/dbraw/zinc/03/26/64/324032664.db2.gz PGMXQQPTGYBZJR-UHFFFAOYSA-N 1 0 232.327 2.463 10 30 BEEERO C=CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007793 325324091 /nfs/dbraw/zinc/32/40/91/325324091.db2.gz FCQQHVXNADXAAT-NSHDSACASA-N 1 0 240.347 2.162 10 30 BEEERO COC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000309465300 487971234 /nfs/dbraw/zinc/97/12/34/487971234.db2.gz PCJMUZILKZBHFU-NSHDSACASA-N 1 0 237.730 2.316 10 30 BEEERO CN(c1ccc(C#N)c(Cl)c1)C1CC([NH3+])C1 ZINC000335659806 491124723 /nfs/dbraw/zinc/12/47/23/491124723.db2.gz HSKSVBXQBXKNDC-UHFFFAOYSA-N 1 0 235.718 2.138 10 30 BEEERO C#CC[NH2+]Cc1csc2c1CCCC2 ZINC000085396225 518288637 /nfs/dbraw/zinc/28/86/37/518288637.db2.gz FQRJFMQOXWNHMK-UHFFFAOYSA-N 1 0 205.326 2.350 10 30 BEEERO C=C(Cl)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227380541 534440771 /nfs/dbraw/zinc/44/07/71/534440771.db2.gz QAPCXFKALIISNV-RYUDHWBXSA-N 1 0 229.751 2.366 10 30 BEEERO Fc1ccc(C#CC2CC[NH2+]CC2)cc1 ZINC000401176968 534463313 /nfs/dbraw/zinc/46/33/13/534463313.db2.gz ZDDCWOORXLYLTC-UHFFFAOYSA-N 1 0 203.260 2.177 10 30 BEEERO C=C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229323121 534668917 /nfs/dbraw/zinc/66/89/17/534668917.db2.gz NLGJRFCPOZLSBH-ZWKOPEQDSA-N 1 0 202.301 2.295 10 30 BEEERO C=CCCC[N@@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000121072648 534708965 /nfs/dbraw/zinc/70/89/65/534708965.db2.gz ZAQZACRYGKQXIH-UHFFFAOYSA-N 1 0 246.354 2.444 10 30 BEEERO C=CCCCCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401926195 527135057 /nfs/dbraw/zinc/13/50/57/527135057.db2.gz ZDBYLRUBDVNUON-STQMWFEESA-N 1 0 211.349 2.436 10 30 BEEERO CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000252742712 535186096 /nfs/dbraw/zinc/18/60/96/535186096.db2.gz NSLJCAXYZOTGAS-LPWJVIDDSA-N 1 0 222.332 2.226 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156067221 535265471 /nfs/dbraw/zinc/26/54/71/535265471.db2.gz NBZSHWBTPQCGEJ-IGQOVBAYSA-N 1 0 249.402 2.482 10 30 BEEERO C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2Cl)C1 ZINC000062791390 536415188 /nfs/dbraw/zinc/41/51/88/536415188.db2.gz DSNJKJAUCOOSII-NSHDSACASA-N 1 0 249.745 2.400 10 30 BEEERO C[C@@H]1CCC[C@@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000203547692 589247034 /nfs/dbraw/zinc/24/70/34/589247034.db2.gz RKOBXVOPGUWLPK-MNOVXSKESA-N 1 0 223.364 2.270 10 30 BEEERO CC[C@H](C)C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119418997 589282853 /nfs/dbraw/zinc/28/28/53/589282853.db2.gz YJOYGVIBLJVQIA-STQMWFEESA-N 1 0 239.359 2.309 10 30 BEEERO C#CCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000133263493 591780859 /nfs/dbraw/zinc/78/08/59/591780859.db2.gz XBMALPBVNNQOPP-CQSZACIVSA-N 1 0 229.323 2.165 10 30 BEEERO C#CCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000133263678 591781679 /nfs/dbraw/zinc/78/16/79/591781679.db2.gz XBMALPBVNNQOPP-AWEZNQCLSA-N 1 0 229.323 2.165 10 30 BEEERO S[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138255247 592255028 /nfs/dbraw/zinc/25/50/28/592255028.db2.gz QWFJMMNRXUOJSK-GFCCVEGCSA-N 1 0 207.342 2.233 10 30 BEEERO CCCCNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000104162289 592602650 /nfs/dbraw/zinc/60/26/50/592602650.db2.gz IRZHNFIVTZENFA-STQMWFEESA-N 1 0 231.343 2.247 10 30 BEEERO C#CCCCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308364922 631306562 /nfs/dbraw/zinc/30/65/62/631306562.db2.gz KAUKXLJXRQMYEG-OLZOCXBDSA-N 1 0 221.344 2.337 10 30 BEEERO C#CCSCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308860872 631701344 /nfs/dbraw/zinc/70/13/44/631701344.db2.gz BIHDCXPAIDLVPT-NEPJUHHUSA-N 1 0 229.364 2.471 10 30 BEEERO CC[NH+](CC)C[C@H](C)NCC#Cc1ccccc1 ZINC000051814419 631937249 /nfs/dbraw/zinc/93/72/49/631937249.db2.gz MTWQJDSCZHIVON-HNNXBMFYSA-N 1 0 244.382 2.358 10 30 BEEERO CC[C@H](C)[N@H+](C)CCNCC#Cc1ccccc1 ZINC000219675857 632523761 /nfs/dbraw/zinc/52/37/61/632523761.db2.gz QRSOROWZAZMIFR-HNNXBMFYSA-N 1 0 244.382 2.358 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CNCC#Cc1ccccc1 ZINC000051814060 636025717 /nfs/dbraw/zinc/02/57/17/636025717.db2.gz AVNZGWOLNUZOAB-INIZCTEOSA-N 1 0 242.366 2.112 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000226609335 635438832 /nfs/dbraw/zinc/43/88/32/635438832.db2.gz JGGFDLRRNFQCFV-BFHYXJOUSA-N 1 0 230.311 2.002 10 30 BEEERO N#C[C@@H]1CCC[C@H]1N[C@@H]1CCc2cccnc21 ZINC000226819651 640794523 /nfs/dbraw/zinc/79/45/23/640794523.db2.gz FRDOLONHHXKVGX-YNEHKIRRSA-N 1 0 227.311 2.351 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000230686571 641086559 /nfs/dbraw/zinc/08/65/59/641086559.db2.gz XILBLNQEEDONRP-CABZTGNLSA-N 1 0 234.274 2.313 10 30 BEEERO C#CCCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000231637733 641188573 /nfs/dbraw/zinc/18/85/73/641188573.db2.gz IUDMLGQUSYOAIU-LSDHHAIUSA-N 1 0 234.387 2.349 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000070245820 643005339 /nfs/dbraw/zinc/00/53/39/643005339.db2.gz GDMGWWDIHVBPHG-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C#CCC[NH2+]Cc1c(O)cccc1Cl ZINC000083599858 643592970 /nfs/dbraw/zinc/59/29/70/643592970.db2.gz GSOJJZLOBVOKLF-UHFFFAOYSA-N 1 0 209.676 2.159 10 30 BEEERO CC(=O)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000083638993 643600607 /nfs/dbraw/zinc/60/06/07/643600607.db2.gz JKKNGUAFIZBNDC-GFCCVEGCSA-N 1 0 222.332 2.227 10 30 BEEERO C#CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000086903117 644272233 /nfs/dbraw/zinc/27/22/33/644272233.db2.gz BRHVDYOHURMISI-LBPRGKRZSA-N 1 0 207.317 2.091 10 30 BEEERO Cc1ccc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)o1 ZINC000304277019 644884773 /nfs/dbraw/zinc/88/47/73/644884773.db2.gz WQFLCVMBAIEOET-WDEREUQCSA-N 1 0 222.288 2.167 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)OC1 ZINC000711378026 712296217 /nfs/dbraw/zinc/29/62/17/712296217.db2.gz OXHGFLNJBXEQLY-JHJVBQTASA-N 1 0 236.359 2.473 10 30 BEEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(F)cc1C#N ZINC000721869633 710689014 /nfs/dbraw/zinc/68/90/14/710689014.db2.gz XPNWWPWIFMYFHC-LBPRGKRZSA-N 1 0 233.290 2.107 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723604279 711524558 /nfs/dbraw/zinc/52/45/58/711524558.db2.gz BGPRNDPYVKYRCI-LXFSFDBISA-N 1 0 248.370 2.473 10 30 BEEERO N#Cc1ccc(Cl)cc1N1CC[C@H](CC[NH3+])C1 ZINC000723672025 711533333 /nfs/dbraw/zinc/53/33/33/711533333.db2.gz IRIGXBHVGBYDIF-JTQLQIEISA-N 1 0 249.745 2.387 10 30 BEEERO C=C(Br)C[N@H+]1CCC[C@@H]1CCCO ZINC000052762485 711636778 /nfs/dbraw/zinc/63/67/78/711636778.db2.gz STYVSLWZMQHWAR-SNVBAGLBSA-N 1 0 248.164 2.132 10 30 BEEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C#N)cc1F ZINC000721868270 711792789 /nfs/dbraw/zinc/79/27/89/711792789.db2.gz UPQLRRWKMPYUAW-GFCCVEGCSA-N 1 0 233.290 2.107 10 30 BEEERO COC[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000045696707 711827160 /nfs/dbraw/zinc/82/71/60/711827160.db2.gz BWGHOOSIJBJKSJ-JTQLQIEISA-N 1 0 236.290 2.069 10 30 BEEERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2cc1C#N ZINC000701857310 712031260 /nfs/dbraw/zinc/03/12/60/712031260.db2.gz WCTJARDITMXRRS-SNVBAGLBSA-N 1 0 240.310 2.126 10 30 BEEERO CCCCCCCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000705913261 712139158 /nfs/dbraw/zinc/13/91/58/712139158.db2.gz PUIVSVBPCDYYPL-VXGBXAGGSA-N 1 0 228.380 2.446 10 30 BEEERO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000706761935 712154714 /nfs/dbraw/zinc/15/47/14/712154714.db2.gz JWGZWAACTZMEMY-RBSFLKMASA-N 1 0 242.322 2.076 10 30 BEEERO CCCCCCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708856558 712201304 /nfs/dbraw/zinc/20/13/04/712201304.db2.gz UUOGCYDYJAABCM-OLZOCXBDSA-N 1 0 240.391 2.400 10 30 BEEERO C[C@@H](CO)[N@H+](CCCC#N)Cc1ccccc1 ZINC000709914810 712232774 /nfs/dbraw/zinc/23/27/74/712232774.db2.gz XJHVJMDBBUCBKB-ZDUSSCGKSA-N 1 0 232.327 2.173 10 30 BEEERO N#Cc1ccc(Cl)cc1NCC1CC([NH3+])C1 ZINC000715086414 712507663 /nfs/dbraw/zinc/50/76/63/712507663.db2.gz UFTSVVKBRJCPRJ-UHFFFAOYSA-N 1 0 235.718 2.361 10 30 BEEERO C=CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037185042 712553027 /nfs/dbraw/zinc/55/30/27/712553027.db2.gz SCRCKVITDSAQAA-SNVBAGLBSA-N 1 0 203.285 2.458 10 30 BEEERO CC#CC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000717832191 712682811 /nfs/dbraw/zinc/68/28/11/712682811.db2.gz WDTGXCOJBPDUTR-DZGCQCFKSA-N 1 0 229.323 2.038 10 30 BEEERO CC1(C)CN(c2ccc(Cl)cc2C#N)C[C@H]1[NH3+] ZINC000720824674 712867595 /nfs/dbraw/zinc/86/75/95/712867595.db2.gz HDEJIGLFCBPMRQ-GFCCVEGCSA-N 1 0 249.745 2.385 10 30 BEEERO COc1cccc(C=NN=N[N+](C)(C)C)c1 ZINC000254519174 717170682 /nfs/dbraw/zinc/17/06/82/717170682.db2.gz RZGOXNVGJZNYDD-UHFFFAOYSA-N 1 0 221.284 2.103 10 30 BEEERO C=CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041635354 1171190703 /nfs/dbraw/zinc/19/07/03/1171190703.db2.gz PEOCACVZTMNVMG-UHFFFAOYSA-N 1 0 213.284 2.352 10 30 BEEERO C=CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960245 538907621 /nfs/dbraw/zinc/90/76/21/538907621.db2.gz AFDMQVPEUROKQC-UHFFFAOYSA-N 1 0 203.285 2.312 10 30 BEEERO CCC(C=O)(CC)C[N@H+](C)C1CCN(C)CC1 ZINC000051176031 168311859 /nfs/dbraw/zinc/31/18/59/168311859.db2.gz WOVMPCSOYSBCIR-UHFFFAOYSA-N 1 0 240.391 2.018 10 30 BEEERO Cc1cc(C#N)cc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000161790840 349498086 /nfs/dbraw/zinc/49/80/86/349498086.db2.gz GQHSRQAAXJNJQF-ZDUSSCGKSA-N 1 0 246.358 2.071 10 30 BEEERO Cc1cc(NC[C@H]2CCC[N@H+]2C)c(C#N)c(C)n1 ZINC000160542870 178170043 /nfs/dbraw/zinc/17/00/43/178170043.db2.gz GZYCIGCWRAPYEN-GFCCVEGCSA-N 1 0 244.342 2.076 10 30 BEEERO Cc1ccc(C#N)c(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000110793687 178364671 /nfs/dbraw/zinc/36/46/71/178364671.db2.gz SHGDFKYCNOHWCP-LBPRGKRZSA-N 1 0 244.342 2.063 10 30 BEEERO Cc1ccc(C#N)c(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051918324 178365714 /nfs/dbraw/zinc/36/57/14/178365714.db2.gz OMZDZRSRRWZZTI-LBPRGKRZSA-N 1 0 245.326 2.030 10 30 BEEERO C#CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000051074563 346830235 /nfs/dbraw/zinc/83/02/35/346830235.db2.gz UCVFDSUVKLZHRF-SNVBAGLBSA-N 1 0 224.101 2.472 10 30 BEEERO CNc1ccc(C#CCCC[NH+](C)C)cc1 ZINC000144135847 342702041 /nfs/dbraw/zinc/70/20/41/342702041.db2.gz HKRWWZKCJBQKCH-UHFFFAOYSA-N 1 0 216.328 2.422 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000319949656 342731695 /nfs/dbraw/zinc/73/16/95/342731695.db2.gz BSWVKVCILAGQBC-IUCAKERBSA-N 1 0 248.286 2.004 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000320422161 342733831 /nfs/dbraw/zinc/73/38/31/342733831.db2.gz YBWBYRITZOHSQP-SFYZADRCSA-N 1 0 239.269 2.374 10 30 BEEERO C=CCOCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000379979135 538983422 /nfs/dbraw/zinc/98/34/22/538983422.db2.gz GKIMOHFASVCALO-NWDGAFQWSA-N 1 0 215.312 2.307 10 30 BEEERO CCC#C[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000381368562 538999400 /nfs/dbraw/zinc/99/94/00/538999400.db2.gz GWSRHGSHPJIWEW-JSGCOSHPSA-N 1 0 217.312 2.112 10 30 BEEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000389979284 539019396 /nfs/dbraw/zinc/01/93/96/539019396.db2.gz HNRHWWGACMEOGM-QWRGUYRKSA-N 1 0 209.289 2.176 10 30 BEEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C)o1 ZINC000389979282 539019530 /nfs/dbraw/zinc/01/95/30/539019530.db2.gz HNRHWWGACMEOGM-GHMZBOCLSA-N 1 0 209.289 2.176 10 30 BEEERO C[NH+](C)CC#Cc1ccc2ncccc2c1 ZINC000138528605 342902085 /nfs/dbraw/zinc/90/20/85/342902085.db2.gz KFXQUCKNTHDSNC-UHFFFAOYSA-N 1 0 210.280 2.148 10 30 BEEERO C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580301855 346874520 /nfs/dbraw/zinc/87/45/20/346874520.db2.gz VRKYLGGIFRSHNU-NWDGAFQWSA-N 1 0 210.365 2.176 10 30 BEEERO C=CCOc1cccc2c1CC[N@H+](C)CC2 ZINC000028014263 187208077 /nfs/dbraw/zinc/20/80/77/187208077.db2.gz XVIIJWXMJCEFCS-UHFFFAOYSA-N 1 0 217.312 2.282 10 30 BEEERO C#CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000035161991 187208607 /nfs/dbraw/zinc/20/86/07/187208607.db2.gz DMTCVLXRGOOOGP-UHFFFAOYSA-N 1 0 239.322 2.212 10 30 BEEERO C#CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000162568391 349752414 /nfs/dbraw/zinc/75/24/14/349752414.db2.gz ONNYVIAUOWQOOL-RWMBFGLXSA-N 1 0 221.344 2.336 10 30 BEEERO C=C(Cl)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009873 187254641 /nfs/dbraw/zinc/25/46/41/187254641.db2.gz RGVTVLKHHZHQSO-LLVKDONJSA-N 1 0 223.703 2.332 10 30 BEEERO N#CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000037711292 187260430 /nfs/dbraw/zinc/26/04/30/187260430.db2.gz ZIMRZZMANXRSPT-UHFFFAOYSA-N 1 0 231.082 2.354 10 30 BEEERO CCCCOCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826130 136373080 /nfs/dbraw/zinc/37/30/80/136373080.db2.gz HRSFBRWCLBQCTI-NEPJUHHUSA-N 1 0 210.321 2.085 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075047 343534469 /nfs/dbraw/zinc/53/44/69/343534469.db2.gz GHFIOECOCUJDQX-XGUBFFRZSA-N 1 0 247.386 2.285 10 30 BEEERO CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251099383 343561038 /nfs/dbraw/zinc/56/10/38/343561038.db2.gz QWSLRFXAJDPURM-TUAOUCFPSA-N 1 0 210.321 2.083 10 30 BEEERO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)/C(N)=N/O)c1 ZINC000042458359 187265542 /nfs/dbraw/zinc/26/55/42/187265542.db2.gz MAKGJMXSTLDGAU-GFCCVEGCSA-N 1 0 249.358 2.118 10 30 BEEERO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251280329 343708489 /nfs/dbraw/zinc/70/84/89/343708489.db2.gz ZBOIJIVICOUBCT-SDDRHHMPSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]1CC[N@H+](CC2(C=O)CCCCC2)C1 ZINC000051177628 346975294 /nfs/dbraw/zinc/97/52/94/346975294.db2.gz QEEDLFNLUOFLOD-GFCCVEGCSA-N 1 0 209.333 2.478 10 30 BEEERO C#CCn1cc(CC[NH2+]C)c(-c2cccs2)n1 ZINC000409440474 343852226 /nfs/dbraw/zinc/85/22/26/343852226.db2.gz UAOVZHVWJMZZEQ-UHFFFAOYSA-N 1 0 245.351 2.007 10 30 BEEERO COCCCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000234622517 344157417 /nfs/dbraw/zinc/15/74/17/344157417.db2.gz WFSJQRVBXVGSGG-QWHCGFSZSA-N 1 0 224.348 2.475 10 30 BEEERO COc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cn1 ZINC000062070625 344333353 /nfs/dbraw/zinc/33/33/53/344333353.db2.gz GKYQRGMOQFXNNW-OLZOCXBDSA-N 1 0 245.326 2.262 10 30 BEEERO C#C[C@H]([NH3+])c1cccc(Br)c1F ZINC000236290546 344338076 /nfs/dbraw/zinc/33/80/76/344338076.db2.gz WGLJLTGQHNIQSQ-QMMMGPOBSA-N 1 0 228.064 2.221 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000054825552 344471922 /nfs/dbraw/zinc/47/19/22/344471922.db2.gz FHCLCHXVTYIPHD-KBPBESRZSA-N 1 0 229.327 2.296 10 30 BEEERO C=CCC1([NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000118108604 344475374 /nfs/dbraw/zinc/47/53/74/344475374.db2.gz MYOWFVINTHGYRI-UHFFFAOYSA-N 1 0 240.347 2.291 10 30 BEEERO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000381060281 344475438 /nfs/dbraw/zinc/47/54/38/344475438.db2.gz KUSLBVKIPUFLJZ-NWDGAFQWSA-N 1 0 224.348 2.331 10 30 BEEERO COCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000381060279 344475450 /nfs/dbraw/zinc/47/54/50/344475450.db2.gz KUSLBVKIPUFLJZ-NEPJUHHUSA-N 1 0 224.348 2.331 10 30 BEEERO CC[NH+]1CCC(N[C@H]2CCCC[C@H]2C#N)CC1 ZINC000395702698 344555934 /nfs/dbraw/zinc/55/59/34/344555934.db2.gz BQMYMHDSUHGPJA-JSGCOSHPSA-N 1 0 235.375 2.143 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCOC1 ZINC000158523678 344670841 /nfs/dbraw/zinc/67/08/41/344670841.db2.gz NAIQZMJLGPNMQP-UMSGYPCISA-N 1 0 222.332 2.083 10 30 BEEERO N#CCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482849 344687524 /nfs/dbraw/zinc/68/75/24/344687524.db2.gz MKSZAUHSEQWYIZ-LBPRGKRZSA-N 1 0 218.304 2.240 10 30 BEEERO CCN(CCC#N)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042972900 169816032 /nfs/dbraw/zinc/81/60/32/169816032.db2.gz XHPFPFOQDVXQKQ-CYBMUJFWSA-N 1 0 235.306 2.061 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235425335 344909371 /nfs/dbraw/zinc/90/93/71/344909371.db2.gz SZQXMXSVFUMBLU-KZVJFYERSA-N 1 0 203.376 2.125 10 30 BEEERO C#C[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000166524745 344920595 /nfs/dbraw/zinc/92/05/95/344920595.db2.gz NADJRZOCBAYTOF-MWLCHTKSSA-N 1 0 203.310 2.445 10 30 BEEERO CC#CCC[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000155557723 187296158 /nfs/dbraw/zinc/29/61/58/187296158.db2.gz TYKRZEJZLCZWFK-AWEZNQCLSA-N 1 0 245.370 2.496 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374050180 534982366 /nfs/dbraw/zinc/98/23/66/534982366.db2.gz LIEIBWADTJKHSE-CYBMUJFWSA-N 1 0 238.375 2.411 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000174863893 534982531 /nfs/dbraw/zinc/98/25/31/534982531.db2.gz GNEYKWJCOHSHRG-UHFFFAOYSA-N 1 0 249.402 2.486 10 30 BEEERO CC#CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156478395 345153357 /nfs/dbraw/zinc/15/33/57/345153357.db2.gz SOVCHFDFOKSDBB-ZIAGYGMSSA-N 1 0 221.344 2.027 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000082544520 345366552 /nfs/dbraw/zinc/36/65/52/345366552.db2.gz DYUWVUNSDMSZEN-OLZOCXBDSA-N 1 0 222.332 2.085 10 30 BEEERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCC#N)cc1 ZINC000042908096 178869765 /nfs/dbraw/zinc/86/97/65/178869765.db2.gz RWOXCGNXEACWRA-GXTWGEPZSA-N 1 0 231.343 2.229 10 30 BEEERO C=C(C)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000161271230 346167403 /nfs/dbraw/zinc/16/74/03/346167403.db2.gz BKZNESRKDZOXPD-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO [NH3+]CCC#Cc1cccc(Br)c1F ZINC000236232638 346213333 /nfs/dbraw/zinc/21/33/33/346213333.db2.gz LUTVZSBQALKKCB-UHFFFAOYSA-N 1 0 242.091 2.289 10 30 BEEERO C[NH+](C)[C@H]1Cc2c[nH]c3ccc(C#N)c(c23)C1 ZINC000034381275 346256560 /nfs/dbraw/zinc/25/65/60/346256560.db2.gz BGHGBOWZBWUXEE-NSHDSACASA-N 1 0 225.295 2.068 10 30 BEEERO CC(C)(C)C#C[C@H]1Cc2ccsc2C(=N)N1 ZINC000025983623 187319978 /nfs/dbraw/zinc/31/99/78/187319978.db2.gz PIQOUNDYMDWDNR-JTQLQIEISA-N 1 0 232.352 2.428 10 30 BEEERO C=CCOc1ccc(C[NH2+]CC(C)(C)CO)cc1 ZINC000124304887 537971555 /nfs/dbraw/zinc/97/15/55/537971555.db2.gz LOMSQYVQDBAHAO-UHFFFAOYSA-N 1 0 249.354 2.360 10 30 BEEERO Cc1cccc(C[N@@H+](CC/C(N)=N/O)C(C)C)c1 ZINC000042529095 179072015 /nfs/dbraw/zinc/07/20/15/179072015.db2.gz WSTWJXWSICTWSU-UHFFFAOYSA-N 1 0 249.358 2.342 10 30 BEEERO Cc1nc(C#N)sc1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000669379557 537979833 /nfs/dbraw/zinc/97/98/33/537979833.db2.gz FIRNMFVCDVHBFE-CBAPKCEASA-N 1 0 221.329 2.179 10 30 BEEERO Cc1cccc(CN[C@@H]2CCC[C@H]2C#N)n1 ZINC000054829141 179097632 /nfs/dbraw/zinc/09/76/32/179097632.db2.gz NFARZPDPJUAWSB-WCQYABFASA-N 1 0 215.300 2.172 10 30 BEEERO COC1(C[NH2+][C@H]2CCC[C@H]2C#N)CCCC1 ZINC000309558789 347101458 /nfs/dbraw/zinc/10/14/58/347101458.db2.gz KKFIQFLUDKTTBN-RYUDHWBXSA-N 1 0 222.332 2.227 10 30 BEEERO O/[N+](=C\c1ccncc1)Cc1ccccc1 ZINC000225442148 370653204 /nfs/dbraw/zinc/65/32/04/370653204.db2.gz UBQMVQFPQOBEHC-PTNGSMBKSA-N 1 0 213.260 2.102 10 30 BEEERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)CCC#N)c1 ZINC000042965788 179204163 /nfs/dbraw/zinc/20/41/63/179204163.db2.gz XNSDHGLKBYTGOE-JSGCOSHPSA-N 1 0 231.343 2.229 10 30 BEEERO COC1(CC[NH2+][C@H]2CCC[C@@H]2C#N)CCC1 ZINC000310537560 347293018 /nfs/dbraw/zinc/29/30/18/347293018.db2.gz BCRFCWWLUGMBPN-NEPJUHHUSA-N 1 0 222.332 2.227 10 30 BEEERO Cc1cccc([C@H](C[NH3+])N(CCC#N)C2CC2)c1 ZINC000042967568 179199042 /nfs/dbraw/zinc/19/90/42/179199042.db2.gz WQFSXOIAZVJBLQ-HNNXBMFYSA-N 1 0 243.354 2.373 10 30 BEEERO CC[C@](C)(C[NH2+][C@@H]1CCC[C@@H]1C#N)OC ZINC000322681232 347405809 /nfs/dbraw/zinc/40/58/09/347405809.db2.gz IEQIUIQZRZDTNE-IJLUTSLNSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000300698663 347379111 /nfs/dbraw/zinc/37/91/11/347379111.db2.gz LNOPFKHBCDIRHN-FQUUOJAGSA-N 1 0 236.359 2.209 10 30 BEEERO Cc1ccccc1C1(C#N)CC[NH2+]CC1 ZINC000000022414 179255820 /nfs/dbraw/zinc/25/58/20/179255820.db2.gz SXQORFLMYVJAKD-UHFFFAOYSA-N 1 0 200.285 2.140 10 30 BEEERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H](C)C#N ZINC000043037068 179346747 /nfs/dbraw/zinc/34/67/47/179346747.db2.gz UJQDBNHEKQBPDX-LNSITVRQSA-N 1 0 245.370 2.475 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000595689253 348314815 /nfs/dbraw/zinc/31/48/15/348314815.db2.gz KSWUBDBLXDPXIM-BFHYXJOUSA-N 1 0 236.359 2.473 10 30 BEEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)cc1 ZINC000596030090 348426108 /nfs/dbraw/zinc/42/61/08/348426108.db2.gz ITXPTXNVIVJUGG-CYBMUJFWSA-N 1 0 217.316 2.344 10 30 BEEERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)cc(C#N)n1 ZINC000596030109 348426182 /nfs/dbraw/zinc/42/61/82/348426182.db2.gz JKJCQKXRCGIYRO-CYBMUJFWSA-N 1 0 232.331 2.047 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597196585 348673266 /nfs/dbraw/zinc/67/32/66/348673266.db2.gz RZJRIEKPYHZZRW-XUXIUFHCSA-N 1 0 234.343 2.226 10 30 BEEERO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cc1C#N ZINC000599433367 349173882 /nfs/dbraw/zinc/17/38/82/349173882.db2.gz DWPRLGUYMMJKDL-SWLSCSKDSA-N 1 0 244.338 2.212 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402072203 349330598 /nfs/dbraw/zinc/33/05/98/349330598.db2.gz IITIKCLHMFZUHU-HZSPNIEDSA-N 1 0 236.359 2.475 10 30 BEEERO Cc1nc(N[C@@H](C)CC[NH3+])c(Cl)cc1C#N ZINC000336675393 180022784 /nfs/dbraw/zinc/02/27/84/180022784.db2.gz VGEUZGPFCRPFKP-ZETCQYMHSA-N 1 0 238.722 2.064 10 30 BEEERO N#Cc1ccccc1COC[C@H]1CCC[NH2+]C1 ZINC000051815381 350136466 /nfs/dbraw/zinc/13/64/66/350136466.db2.gz PTYAUJCITZDBQM-LBPRGKRZSA-N 1 0 230.311 2.074 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1CCCO ZINC000083640402 350264944 /nfs/dbraw/zinc/26/49/44/350264944.db2.gz VWKLWESRWRHPOS-LBPRGKRZSA-N 1 0 224.348 2.163 10 30 BEEERO N#Cc1ccc([C@@H]2CCCC[N@@H+](CCO)C2)cc1 ZINC000616604323 350792541 /nfs/dbraw/zinc/79/25/41/350792541.db2.gz CRGSBMWFFPECAQ-OAHLLOKOSA-N 1 0 244.338 2.120 10 30 BEEERO CC[N@@H+]1CC[C@H](c2ccccc2C#N)C1 ZINC000616610865 350806988 /nfs/dbraw/zinc/80/69/88/350806988.db2.gz ZOFXTBYPJRAWAQ-LBPRGKRZSA-N 1 0 200.285 2.367 10 30 BEEERO CC[N@@H+]1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616610195 350808468 /nfs/dbraw/zinc/80/84/68/350808468.db2.gz JYRWXOBKJFAKME-ZDUSSCGKSA-N 1 0 200.285 2.367 10 30 BEEERO N#Cc1cccc([C@H]2CCCCN2CC[NH3+])c1 ZINC000616614807 350839940 /nfs/dbraw/zinc/83/99/40/350839940.db2.gz MQIBOLBAZLXMOZ-CQSZACIVSA-N 1 0 229.327 2.044 10 30 BEEERO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336680658 350902641 /nfs/dbraw/zinc/90/26/41/350902641.db2.gz OHKXQIUHWNUIFF-AVGNSLFASA-N 1 0 229.339 2.289 10 30 BEEERO CCCC[C@H](COC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000336682981 350910004 /nfs/dbraw/zinc/91/00/04/350910004.db2.gz DJCOFKOBBIZKGM-XQQFMLRXSA-N 1 0 224.348 2.473 10 30 BEEERO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000397773250 350975694 /nfs/dbraw/zinc/97/56/94/350975694.db2.gz HQAUQCXIBGUKCJ-MJBXVCDLSA-N 1 0 236.359 2.163 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000397974580 350995670 /nfs/dbraw/zinc/99/56/70/350995670.db2.gz OHIBDLQJRGQWAR-KKOKHZNYSA-N 1 0 224.373 2.410 10 30 BEEERO N#Cc1ccc([C@H]2CCCCC[N@H+]2CCO)cc1 ZINC000616622843 351087641 /nfs/dbraw/zinc/08/76/41/351087641.db2.gz IGVFMPGIGBVYAG-OAHLLOKOSA-N 1 0 244.338 2.468 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000616628585 351098422 /nfs/dbraw/zinc/09/84/22/351098422.db2.gz DKTYGWJMYMKVLN-LLVKDONJSA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000086500216 351165746 /nfs/dbraw/zinc/16/57/46/351165746.db2.gz BLHMKXIFNQDDGU-WDEREUQCSA-N 1 0 236.340 2.013 10 30 BEEERO CC[N@@H+]1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616651975 351190128 /nfs/dbraw/zinc/19/01/28/351190128.db2.gz CGKWNVABHAQYJK-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO C=C(Cl)CN1C[C@@](C)(CC)[NH2+]C[C@H]1C ZINC000168120076 351301811 /nfs/dbraw/zinc/30/18/11/351301811.db2.gz KXAGJBVCQHJMES-GHMZBOCLSA-N 1 0 216.756 2.201 10 30 BEEERO C[NH2+]CC#Cc1ccccc1CSC ZINC000307039981 351437191 /nfs/dbraw/zinc/43/71/91/351437191.db2.gz HSQRKMKRVCYHFS-UHFFFAOYSA-N 1 0 205.326 2.121 10 30 BEEERO N#Cc1cccc(CNC2=[NH+]CCCS2)c1 ZINC000051667908 187609918 /nfs/dbraw/zinc/60/99/18/187609918.db2.gz OWRQMITVUOLADD-UHFFFAOYSA-N 1 0 231.324 2.141 10 30 BEEERO C=CCN(CC[NH3+])Cc1ccccc1Cl ZINC000032014911 166342471 /nfs/dbraw/zinc/34/24/71/166342471.db2.gz MHYKKTVYPUUCST-UHFFFAOYSA-N 1 0 224.735 2.287 10 30 BEEERO C[C@H](C[NH3+])CNc1ccc(Cl)cc1C#N ZINC000420222442 192177603 /nfs/dbraw/zinc/17/76/03/192177603.db2.gz WVSIMAUSLBOLDR-MRVPVSSYSA-N 1 0 223.707 2.218 10 30 BEEERO C=CCN1C[C@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000068702765 166361408 /nfs/dbraw/zinc/36/14/08/166361408.db2.gz OOIXDXTWVCEUDI-OLZOCXBDSA-N 1 0 210.365 2.127 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638875046 353041738 /nfs/dbraw/zinc/04/17/38/353041738.db2.gz MSGFJKWHCWBRIB-CQSZACIVSA-N 1 0 238.375 2.237 10 30 BEEERO N#CCC[C@@H](N)c1nc2ccccc2o1 ZINC000029463162 188010269 /nfs/dbraw/zinc/01/02/69/188010269.db2.gz RLLBVDHYVYZTLN-MRVPVSSYSA-N 1 0 201.229 2.131 10 30 BEEERO CC#CCOc1ccc(OC)cc1C[NH2+]CC ZINC000051662303 188046436 /nfs/dbraw/zinc/04/64/36/188046436.db2.gz IXYNBDWBBAWKBZ-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO N#Cc1ccc(N[C@H](CC[NH3+])C(F)F)c(F)c1 ZINC000383458306 353160711 /nfs/dbraw/zinc/16/07/11/353160711.db2.gz OALXAVPVNFASJB-SNVBAGLBSA-N 1 0 243.232 2.092 10 30 BEEERO C#CCOc1ccc([C@H](C)[NH3+])cc1Cl ZINC000127104147 353261480 /nfs/dbraw/zinc/26/14/80/353261480.db2.gz PSRKDFKMRRFZQO-QMMMGPOBSA-N 1 0 209.676 2.372 10 30 BEEERO C#CC[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000035161391 188233607 /nfs/dbraw/zinc/23/36/07/188233607.db2.gz DTZPJQRVRMTWMB-UHFFFAOYSA-N 1 0 241.237 2.019 10 30 BEEERO N#Cc1ccc(C[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000374034999 188248926 /nfs/dbraw/zinc/24/89/26/188248926.db2.gz BJVHFVVWWNOPDU-HNNXBMFYSA-N 1 0 244.338 2.153 10 30 BEEERO ON=C1CC[NH+](CCc2ccccc2)CC1 ZINC000019519618 188281918 /nfs/dbraw/zinc/28/19/18/188281918.db2.gz ZNSFRFSXKLKXFU-UHFFFAOYSA-N 1 0 218.300 2.155 10 30 BEEERO CC(C)N(CCC#N)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042529964 188293974 /nfs/dbraw/zinc/29/39/74/188293974.db2.gz COEPQKUSUXVNMS-QWHCGFSZSA-N 1 0 223.364 2.270 10 30 BEEERO Cc1ccccc1SC[C@](C)(N)C#N ZINC000045219864 188297656 /nfs/dbraw/zinc/29/76/56/188297656.db2.gz XRHIXXDERHCYRN-LLVKDONJSA-N 1 0 206.314 2.328 10 30 BEEERO COc1ccc(OCCCCC#N)c(C[NH3+])c1 ZINC000049578195 188298818 /nfs/dbraw/zinc/29/88/18/188298818.db2.gz HHJVKVOLOZKCKJ-UHFFFAOYSA-N 1 0 234.299 2.227 10 30 BEEERO N#CCCCCOc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000049578313 188298865 /nfs/dbraw/zinc/29/88/65/188298865.db2.gz GBMMTKFXDKUOMF-UHFFFAOYSA-N 1 0 249.270 2.126 10 30 BEEERO CCCCCCC[N@H+](C)[C@H](C)C/C(N)=N/O ZINC000109133195 188325140 /nfs/dbraw/zinc/32/51/40/188325140.db2.gz ADBQXLAKISXNNT-LLVKDONJSA-N 1 0 229.368 2.414 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(Br)cc1C ZINC000130124651 353340032 /nfs/dbraw/zinc/34/00/32/353340032.db2.gz KQEBVXXZXQGLER-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(Br)ccc1C ZINC000130322297 353345659 /nfs/dbraw/zinc/34/56/59/353345659.db2.gz IMRNFKVKSDYBMT-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C#CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019875353 188351847 /nfs/dbraw/zinc/35/18/47/188351847.db2.gz NQKBHSQGSDKAOA-UHFFFAOYSA-N 1 0 213.202 2.428 10 30 BEEERO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000282401541 188384503 /nfs/dbraw/zinc/38/45/03/188384503.db2.gz YPNCIAQBUOKFPQ-GHMZBOCLSA-N 1 0 248.326 2.444 10 30 BEEERO CC(C)COCc1ccc(F)cc1C#CC[NH3+] ZINC000049610728 188399823 /nfs/dbraw/zinc/39/98/23/188399823.db2.gz HIBBTCYTCYMPQX-UHFFFAOYSA-N 1 0 235.302 2.309 10 30 BEEERO C=CC[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC000049830784 188399959 /nfs/dbraw/zinc/39/99/59/188399959.db2.gz DHQRJNYXAOXPAP-LLVKDONJSA-N 1 0 241.718 2.158 10 30 BEEERO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183099958 353509945 /nfs/dbraw/zinc/50/99/45/353509945.db2.gz UXUHEFNHEOPUFZ-WFASDCNBSA-N 1 0 247.313 2.334 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000061891891 181059932 /nfs/dbraw/zinc/05/99/32/181059932.db2.gz MLGMXVKHBHOPBO-GXSJLCMTSA-N 1 0 210.346 2.164 10 30 BEEERO N#C[C@H]1CCCCC[C@H]1[NH2+]C1(CO)CCCC1 ZINC000054829844 181067321 /nfs/dbraw/zinc/06/73/21/181067321.db2.gz RRLCEWRXMDBXEC-CHWSQXEVSA-N 1 0 236.359 2.354 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000054825937 181068736 /nfs/dbraw/zinc/06/87/36/181068736.db2.gz HRUQPDAXOUMECB-DGCLKSJQSA-N 1 0 218.300 2.494 10 30 BEEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1 ZINC000230659116 363317478 /nfs/dbraw/zinc/31/74/78/363317478.db2.gz NNNRTYNYHVSUKN-CHWSQXEVSA-N 1 0 210.365 2.415 10 30 BEEERO N#Cc1c(F)cccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132475348 181075022 /nfs/dbraw/zinc/07/50/22/181075022.db2.gz YVOFZXSJHKJFFE-MNOVXSKESA-N 1 0 245.301 2.028 10 30 BEEERO N#Cc1cc(Cl)ccc1OC[C@H]1CCC[NH2+]1 ZINC000052859346 181087084 /nfs/dbraw/zinc/08/70/84/181087084.db2.gz XANRVDJSZIHMJT-LLVKDONJSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccc(-c2csc(CC[NH3+])n2)cc1 ZINC000041062078 181095945 /nfs/dbraw/zinc/09/59/45/181095945.db2.gz OUVZOGBOOHBNLJ-UHFFFAOYSA-N 1 0 229.308 2.183 10 30 BEEERO N#Cc1ccc(CSCCC[NH3+])cc1 ZINC000058250359 181110813 /nfs/dbraw/zinc/11/08/13/181110813.db2.gz STDHJEVUOSHXFX-UHFFFAOYSA-N 1 0 206.314 2.140 10 30 BEEERO N#Cc1ccc(NC2CC([NH3+])C2)cc1Cl ZINC000061846865 181119500 /nfs/dbraw/zinc/11/95/00/181119500.db2.gz KXXFEGGZSGDONX-UHFFFAOYSA-N 1 0 221.691 2.113 10 30 BEEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791394 181123866 /nfs/dbraw/zinc/12/38/66/181123866.db2.gz AZKDJRGKTVWBEC-SNVBAGLBSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC000038051105 181124954 /nfs/dbraw/zinc/12/49/54/181124954.db2.gz ZYURDCLIFNCVKJ-WCQYABFASA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000335581054 181126614 /nfs/dbraw/zinc/12/66/14/181126614.db2.gz MJYYKUDPJXUVQJ-AAEUAGOBSA-N 1 0 215.300 2.098 10 30 BEEERO N#Cc1ccccc1CN1CCCC[C@@H]1C=O ZINC000054237954 181145831 /nfs/dbraw/zinc/14/58/31/181145831.db2.gz RBAKGXQPADYZMO-CQSZACIVSA-N 1 0 228.295 2.112 10 30 BEEERO N#Cc1ccccc1C[NH2+]C[C@H]1CCCCO1 ZINC000042821007 181145239 /nfs/dbraw/zinc/14/52/39/181145239.db2.gz QNELZYBZCLEMCR-CQSZACIVSA-N 1 0 230.311 2.217 10 30 BEEERO N#Cc1ccccc1CC1CC[NH2+]CC1 ZINC000035571870 181145590 /nfs/dbraw/zinc/14/55/90/181145590.db2.gz HADPPQIZMACGNU-UHFFFAOYSA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1ccccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493279 181147829 /nfs/dbraw/zinc/14/78/29/181147829.db2.gz VDNMJJDSYQPGJJ-LBPRGKRZSA-N 1 0 215.300 2.112 10 30 BEEERO N#Cc1ccccc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000042338239 181149146 /nfs/dbraw/zinc/14/91/46/181149146.db2.gz AJZKQLUJFPMQQH-UONOGXRCSA-N 1 0 227.311 2.207 10 30 BEEERO N#Cc1ccccc1Nc1cc[nH+]cc1N ZINC000020585510 181149316 /nfs/dbraw/zinc/14/93/16/181149316.db2.gz CXFZCGOZGICBPK-UHFFFAOYSA-N 1 0 210.240 2.279 10 30 BEEERO N#Cc1ccccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050814 181149440 /nfs/dbraw/zinc/14/94/40/181149440.db2.gz VMHUFPYLRTVPEM-WCQYABFASA-N 1 0 215.300 2.240 10 30 BEEERO N#CC1(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CCC1 ZINC000335160025 354867216 /nfs/dbraw/zinc/86/72/16/354867216.db2.gz TZJKQPKXZRVLOV-CHWSQXEVSA-N 1 0 246.354 2.181 10 30 BEEERO N#Cc1ncccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000061659443 181170644 /nfs/dbraw/zinc/17/06/44/181170644.db2.gz RYIKQAMIATXVKX-ZDUSSCGKSA-N 1 0 245.326 2.002 10 30 BEEERO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC#N ZINC000346711009 355102549 /nfs/dbraw/zinc/10/25/49/355102549.db2.gz XODQRVSHNJIQCG-MCIONIFRSA-N 1 0 236.359 2.306 10 30 BEEERO [NH2+]=C(CS)Nc1cccc(Cl)c1 ZINC000147264414 181183462 /nfs/dbraw/zinc/18/34/62/181183462.db2.gz NWNZKEFDCWVVCW-UHFFFAOYSA-N 1 0 200.694 2.259 10 30 BEEERO CCN1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139520 355730651 /nfs/dbraw/zinc/73/06/51/355730651.db2.gz GSHJLICXKNGEQR-LBPRGKRZSA-N 1 0 223.364 2.000 10 30 BEEERO N#Cc1ccc(C[N@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374035008 192015183 /nfs/dbraw/zinc/01/51/83/192015183.db2.gz BJVHFVVWWNOPDU-OAHLLOKOSA-N 1 0 244.338 2.153 10 30 BEEERO N#CC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCC1 ZINC000336190601 134123177 /nfs/dbraw/zinc/12/31/77/134123177.db2.gz HWQRVMQEMQTRNJ-ZFWWWQNUSA-N 1 0 248.370 2.307 10 30 BEEERO C=C(Br)CNc1[nH+]cc(C)cc1N ZINC000168195027 356553330 /nfs/dbraw/zinc/55/33/30/356553330.db2.gz WEEFXJCNRBNXSV-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO N#CC1(C[NH+]2CCC(c3c[nH]cn3)CC2)CCC1 ZINC000333703761 134128350 /nfs/dbraw/zinc/12/83/50/134128350.db2.gz OPBFWTMJBJYTTA-UHFFFAOYSA-N 1 0 244.342 2.283 10 30 BEEERO C[C@H]1C[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C[C@@H](C)C1 ZINC000675059232 538484276 /nfs/dbraw/zinc/48/42/76/538484276.db2.gz DXUAYTGIXYMFND-BJJPWKGXSA-N 1 0 223.360 2.483 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2nn(C)cc2CC#N)[C@H]1C ZINC000675056563 538478581 /nfs/dbraw/zinc/47/85/81/538478581.db2.gz RVYBEQNCAXEYIQ-RYUDHWBXSA-N 1 0 246.358 2.107 10 30 BEEERO CC(C)[NH+](Cc1nn(C)cc1CC#N)C(C)C ZINC000675056870 538478719 /nfs/dbraw/zinc/47/87/19/538478719.db2.gz XSGCAZKPCHEAET-UHFFFAOYSA-N 1 0 234.347 2.105 10 30 BEEERO O=C[C@@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059188 538484554 /nfs/dbraw/zinc/48/45/54/538484554.db2.gz CGGJLWHSUWUAEE-ONGXEEELSA-N 1 0 231.286 2.237 10 30 BEEERO C=CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525889 134155211 /nfs/dbraw/zinc/15/52/11/134155211.db2.gz GWLVBSIGLYSARN-VIFPVBQESA-N 1 0 206.245 2.431 10 30 BEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035139667 134161646 /nfs/dbraw/zinc/16/16/46/134161646.db2.gz GCKPNSKLOOFPJO-NXEZZACHSA-N 1 0 238.356 2.089 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)CCO1 ZINC000388655091 357094927 /nfs/dbraw/zinc/09/49/27/357094927.db2.gz FJVKRGLYJBPRRE-SYQHCUMBSA-N 1 0 236.359 2.473 10 30 BEEERO C#C[C@@H]([NH2+]C)c1ccc(Br)c(F)c1 ZINC000130089118 357183048 /nfs/dbraw/zinc/18/30/48/357183048.db2.gz ZDHLYPDTOKGIRT-SNVBAGLBSA-N 1 0 242.091 2.482 10 30 BEEERO C=CCCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190744705 357730222 /nfs/dbraw/zinc/73/02/22/357730222.db2.gz DKCOELBVVTYZCP-LBPRGKRZSA-N 1 0 236.359 2.086 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263280702 535390434 /nfs/dbraw/zinc/39/04/34/535390434.db2.gz RUKYLERUTLDBEU-LLVKDONJSA-N 1 0 223.364 2.366 10 30 BEEERO N#Cc1ccc(CSC(N)=[NH2+])c(Cl)c1 ZINC000169050458 358094417 /nfs/dbraw/zinc/09/44/17/358094417.db2.gz NYXDTXNYLACHPE-UHFFFAOYSA-N 1 0 225.704 2.338 10 30 BEEERO C=CCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172237824 134264643 /nfs/dbraw/zinc/26/46/43/134264643.db2.gz MUQVVBWARDCKIL-UHFFFAOYSA-N 1 0 208.349 2.123 10 30 BEEERO N#Cc1cccc([C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000584652054 358306993 /nfs/dbraw/zinc/30/69/93/358306993.db2.gz ZYHHVHRHVHGRGP-NSHDSACASA-N 1 0 240.228 2.352 10 30 BEEERO N/C(=N\O)[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000301809767 358436300 /nfs/dbraw/zinc/43/63/00/358436300.db2.gz LSPWHIOCMUWMMR-LBPRGKRZSA-N 1 0 239.363 2.168 10 30 BEEERO COc1cccc(F)c1[C@@H](C)NCCC#N ZINC000126870814 358557556 /nfs/dbraw/zinc/55/75/56/358557556.db2.gz JMUJHORSMVZRBS-SECBINFHSA-N 1 0 222.263 2.399 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000130169893 358569413 /nfs/dbraw/zinc/56/94/13/358569413.db2.gz AZQWIBUXDNLSHL-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO N#CCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043425435 358538081 /nfs/dbraw/zinc/53/80/81/358538081.db2.gz RWGUZYXRMIJPLC-QWHCGFSZSA-N 1 0 222.332 2.324 10 30 BEEERO CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000132647529 358731498 /nfs/dbraw/zinc/73/14/98/358731498.db2.gz NSLJCAXYZOTGAS-LOWDOPEQSA-N 1 0 222.332 2.226 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000134517463 358793978 /nfs/dbraw/zinc/79/39/78/358793978.db2.gz FNSFWQSKCATBIQ-UHFFFAOYSA-N 1 0 247.338 2.256 10 30 BEEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cccs1 ZINC000308562172 491137069 /nfs/dbraw/zinc/13/70/69/491137069.db2.gz FXNIUWYGLKCVOE-UWVGGRQHSA-N 1 0 211.330 2.336 10 30 BEEERO CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1C#N ZINC000054824023 358876270 /nfs/dbraw/zinc/87/62/70/358876270.db2.gz CINJQOJLKPJZCK-CHWSQXEVSA-N 1 0 223.364 2.000 10 30 BEEERO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000057863819 358907773 /nfs/dbraw/zinc/90/77/73/358907773.db2.gz LCOREFDUNHNAJH-GFCCVEGCSA-N 1 0 238.375 2.189 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000299970583 358957991 /nfs/dbraw/zinc/95/79/91/358957991.db2.gz VOIAULJJOFSTIP-GARJFASQSA-N 1 0 210.346 2.164 10 30 BEEERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12CO2 ZINC000306196707 359025116 /nfs/dbraw/zinc/02/51/16/359025116.db2.gz LBISXHXPNOWRKD-AAEUAGOBSA-N 1 0 203.285 2.050 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000130308280 359338749 /nfs/dbraw/zinc/33/87/49/359338749.db2.gz RTXRHLKGPGGHIN-SECBINFHSA-N 1 0 228.064 2.221 10 30 BEEERO C=C(C)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000351880215 366542819 /nfs/dbraw/zinc/54/28/19/366542819.db2.gz WVVSSYJWZIMWGB-ZDUSSCGKSA-N 1 0 208.349 2.123 10 30 BEEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)F)C1 ZINC000306474426 360111610 /nfs/dbraw/zinc/11/16/10/360111610.db2.gz VVZRGXAERVJDPI-LPEHRKFASA-N 1 0 201.260 2.422 10 30 BEEERO CCN1CCC[C@H]1C[N@H+](C)CCCCC#N ZINC000092628677 360185863 /nfs/dbraw/zinc/18/58/63/360185863.db2.gz BEUYBBJZRZFVSN-ZDUSSCGKSA-N 1 0 223.364 2.096 10 30 BEEERO CCN1CCC[C@@H]1C[N@H+](C)CCCCC#N ZINC000092628675 360186940 /nfs/dbraw/zinc/18/69/40/360186940.db2.gz BEUYBBJZRZFVSN-CYBMUJFWSA-N 1 0 223.364 2.096 10 30 BEEERO C=C([C@@H](F)[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306499932 360261691 /nfs/dbraw/zinc/26/16/91/360261691.db2.gz LNRYEROAFBERMQ-JGVFFNPUSA-N 1 0 211.202 2.443 10 30 BEEERO C=C([C@H]([NH3+])[C@]1(C)CCCO1)C(F)(F)F ZINC000306561738 360438923 /nfs/dbraw/zinc/43/89/23/360438923.db2.gz NRYPPJJBIBKELX-YUMQZZPRSA-N 1 0 209.211 2.001 10 30 BEEERO [NH3+]CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000019431258 181324567 /nfs/dbraw/zinc/32/45/67/181324567.db2.gz SRAMBUXJIWQVGK-UHFFFAOYSA-N 1 0 241.703 2.496 10 30 BEEERO C#CC[C@@H]([NH3+])c1cc(Br)oc1C ZINC000306622400 361234853 /nfs/dbraw/zinc/23/48/53/361234853.db2.gz WKFTTWKLNOPSTM-MRVPVSSYSA-N 1 0 228.089 2.374 10 30 BEEERO [NH3+]CC#Cc1cc(Cl)ccc1Cl ZINC000037470985 181346604 /nfs/dbraw/zinc/34/66/04/181346604.db2.gz FEIRJBQFXPYQEX-UHFFFAOYSA-N 1 0 200.068 2.304 10 30 BEEERO C=C(C)[C@@H]1c2cc(N)ccc2CC[N@H+]1C ZINC000038235398 364262316 /nfs/dbraw/zinc/26/23/16/364262316.db2.gz PDVBCMCLMMIEQI-CYBMUJFWSA-N 1 0 202.301 2.374 10 30 BEEERO C=C(Cl)CN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000136079176 364456062 /nfs/dbraw/zinc/45/60/62/364456062.db2.gz MXBYKDOGNVIMKA-NWDGAFQWSA-N 1 0 228.767 2.298 10 30 BEEERO C=CC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252760732 364673974 /nfs/dbraw/zinc/67/39/74/364673974.db2.gz WWOBWCXOMJXRIU-QCNOEVLYSA-N 1 0 209.333 2.354 10 30 BEEERO C[C@@H]1COC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192037741 365270473 /nfs/dbraw/zinc/27/04/73/365270473.db2.gz OVMOVNXXOTUMBQ-PHIMTYICSA-N 1 0 248.301 2.307 10 30 BEEERO Cc1cc(NCCC[NH2+]C(C)C)cc(C#N)n1 ZINC000581419759 367461843 /nfs/dbraw/zinc/46/18/43/367461843.db2.gz SAPQUAAESZBMTM-UHFFFAOYSA-N 1 0 232.331 2.062 10 30 BEEERO CCOC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000081546007 370889690 /nfs/dbraw/zinc/88/96/90/370889690.db2.gz WWZOMIBATSRMFG-VXGBXAGGSA-N 1 0 238.331 2.002 10 30 BEEERO O=C(C[n+]1ccccn1)c1ccc2ccccc2c1 ZINC000048523589 368377479 /nfs/dbraw/zinc/37/74/79/368377479.db2.gz KYYFTEYENGLMDA-UHFFFAOYSA-N 1 0 249.293 2.405 10 30 BEEERO C=C1CC[N@H+](Cc2ccccc2)[C@H](CO)C1 ZINC000114151982 368926990 /nfs/dbraw/zinc/92/69/90/368926990.db2.gz RIVIVBOYCOXKID-AWEZNQCLSA-N 1 0 217.312 2.200 10 30 BEEERO C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1C[NH3+] ZINC000600960905 369581483 /nfs/dbraw/zinc/58/14/83/369581483.db2.gz JZWXKTWJGQIHOG-ONGXEEELSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH3+] ZINC000600961091 369581558 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384893571 /nfs/dbraw/zinc/89/35/71/384893571.db2.gz ZMKOBRDQBOHOCP-CQSZACIVSA-N 1 0 248.374 2.183 10 30 BEEERO CC#CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000156637482 384897745 /nfs/dbraw/zinc/89/77/45/384897745.db2.gz UYMLPFJONAWJIG-CYBMUJFWSA-N 1 0 217.316 2.350 10 30 BEEERO CCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000127540098 385247092 /nfs/dbraw/zinc/24/70/92/385247092.db2.gz SCELSAXQBGYLRQ-UHFFFAOYSA-N 1 0 228.299 2.048 10 30 BEEERO C[C@@H]1C[C@](C#N)(NCc2ccccc2)CC[N@@H+]1C ZINC000156443690 385277933 /nfs/dbraw/zinc/27/79/33/385277933.db2.gz MCNUUXNXPPCDSP-UKRRQHHQSA-N 1 0 243.354 2.153 10 30 BEEERO Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308241881 385413124 /nfs/dbraw/zinc/41/31/24/385413124.db2.gz QDBMEIOIWDKESH-BXUZGUMPSA-N 1 0 244.342 2.191 10 30 BEEERO C=CCC[C@@H](CC)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309167240 385446973 /nfs/dbraw/zinc/44/69/73/385446973.db2.gz JNVKJBZGPCUCJM-LPWJVIDDSA-N 1 0 209.333 2.213 10 30 BEEERO C=C(C)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O 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ZINC000308239805 388658826 /nfs/dbraw/zinc/65/88/26/388658826.db2.gz LTKJFFALZORBTK-CQSZACIVSA-N 1 0 246.358 2.071 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000249032842 388704748 /nfs/dbraw/zinc/70/47/48/388704748.db2.gz RPBQNNDCSMOGOH-YIYPIFLZSA-N 1 0 236.359 2.209 10 30 BEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354617 388814750 /nfs/dbraw/zinc/81/47/50/388814750.db2.gz FBSXBURDDIZQET-KBXIAJHMSA-N 1 0 249.402 2.387 10 30 BEEERO CC1(C)C[C@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575512336 389010897 /nfs/dbraw/zinc/01/08/97/389010897.db2.gz NLKQEKPLABTNQU-OAHLLOKOSA-N 1 0 243.354 2.201 10 30 BEEERO C#CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672555 322828005 /nfs/dbraw/zinc/82/80/05/322828005.db2.gz LJAUCTNBNKITGM-GFCCVEGCSA-N 1 0 225.295 2.156 10 30 BEEERO C=CC[NH+]=C1NSc2ccccc2N1C ZINC000095935269 132241559 /nfs/dbraw/zinc/24/15/59/132241559.db2.gz GYOPMSPDMWBPHW-UHFFFAOYSA-N 1 0 219.313 2.275 10 30 BEEERO C[NH+](C)C1CCN(c2cccc(F)c2C#N)CC1 ZINC000112011942 132268057 /nfs/dbraw/zinc/26/80/57/132268057.db2.gz GGMJGUYIJAVWHQ-UHFFFAOYSA-N 1 0 247.317 2.228 10 30 BEEERO CCNC(=[NH2+])Nc1ccc(N2CCCCC2)cc1 ZINC000062997540 132388334 /nfs/dbraw/zinc/38/83/34/132388334.db2.gz DGVRZMVATOHFQD-UHFFFAOYSA-N 1 0 246.358 2.423 10 30 BEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000104174091 134159231 /nfs/dbraw/zinc/15/92/31/134159231.db2.gz PBSBDESKUPGKAH-MWLCHTKSSA-N 1 0 203.289 2.130 10 30 BEEERO C=C(C)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000221100626 134316807 /nfs/dbraw/zinc/31/68/07/134316807.db2.gz NAYKGKPTWZXCFA-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224419549 134347359 /nfs/dbraw/zinc/34/73/59/134347359.db2.gz YCLPGHRMNNPPHF-GARJFASQSA-N 1 0 210.346 2.021 10 30 BEEERO C[C@H]1OCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235585577 134596011 /nfs/dbraw/zinc/59/60/11/134596011.db2.gz HWZNTAYULQRUCO-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO C=CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247074976 134971757 /nfs/dbraw/zinc/97/17/57/134971757.db2.gz VALHMIWVDAQSOB-OLZOCXBDSA-N 1 0 236.359 2.038 10 30 BEEERO C[C@H](C#N)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248447362 135010494 /nfs/dbraw/zinc/01/04/94/135010494.db2.gz HIDHBPCVCDENGA-CABCVRRESA-N 1 0 249.402 2.486 10 30 BEEERO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000248603701 135016241 /nfs/dbraw/zinc/01/62/41/135016241.db2.gz BLHCJVNCCVRKKL-OLZOCXBDSA-N 1 0 238.375 2.189 10 30 BEEERO CC(C)C1([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000339510611 135074862 /nfs/dbraw/zinc/07/48/62/135074862.db2.gz VUCWIOGSOXLIQH-LLVKDONJSA-N 1 0 205.305 2.208 10 30 BEEERO C[C@H]1C[NH+]=C(NC[C@]2(C)C[C@H]2c2ccccc2)N1 ZINC000263035115 135124308 /nfs/dbraw/zinc/12/43/08/135124308.db2.gz BSIUMCSZBFYEQC-WHOFXGATSA-N 1 0 243.354 2.118 10 30 BEEERO COC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000164258371 135218029 /nfs/dbraw/zinc/21/80/29/135218029.db2.gz DNZXOTKNKSLQTP-WTIISPKJSA-N 1 0 222.332 2.226 10 30 BEEERO C=CC[N@@H+](C)C[C@H](O)c1cc(F)ccc1F ZINC000121238291 135222545 /nfs/dbraw/zinc/22/25/45/135222545.db2.gz YRJKYPQGXQJRLO-LBPRGKRZSA-N 1 0 227.254 2.116 10 30 BEEERO CC[C@]1(C)CCN(C(N[C@@H]2C[C@H]2C)=[NH+]C)C1 ZINC000261718101 135247309 /nfs/dbraw/zinc/24/73/09/135247309.db2.gz IBTFVCPTYPJHFM-NQBHXWOUSA-N 1 0 223.364 2.092 10 30 BEEERO C[NH+]=C(NC1CCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261747342 135249825 /nfs/dbraw/zinc/24/98/25/135249825.db2.gz NCFQXQXOVJVTTG-TXEJJXNPSA-N 1 0 235.375 2.236 10 30 BEEERO COc1cccc(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000261987911 135269576 /nfs/dbraw/zinc/26/95/76/135269576.db2.gz KTBUBWHBEYPHGJ-LLVKDONJSA-N 1 0 233.315 2.220 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CC1(C)C ZINC000262414085 135295552 /nfs/dbraw/zinc/29/55/52/135295552.db2.gz PVRJWMKNPFJCMZ-LBPRGKRZSA-N 1 0 247.342 2.358 10 30 BEEERO Cc1ccc(Cl)cc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262688749 135314096 /nfs/dbraw/zinc/31/40/96/135314096.db2.gz ZOGMRHWFDUZMLS-SECBINFHSA-N 1 0 237.734 2.086 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CC12CC2 ZINC000263036857 135328396 /nfs/dbraw/zinc/32/83/96/135328396.db2.gz IBCMVJVOJOTBQO-LBPRGKRZSA-N 1 0 245.326 2.112 10 30 BEEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])NC1CCC1 ZINC000263083109 135331859 /nfs/dbraw/zinc/33/18/59/135331859.db2.gz HYBJEWKNOALEKW-YPMHNXCESA-N 1 0 223.364 2.268 10 30 BEEERO COc1cccc(NC(=[NH2+])NC[C@@H]2CC23CC3)c1 ZINC000263155135 135336224 /nfs/dbraw/zinc/33/62/24/135336224.db2.gz PXYOCMXIQSATEV-JTQLQIEISA-N 1 0 245.326 2.222 10 30 BEEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)NC1CCC1 ZINC000263168775 135337023 /nfs/dbraw/zinc/33/70/23/135337023.db2.gz RQIGROXRJPWXFI-WOPDTQHZSA-N 1 0 233.359 2.046 10 30 BEEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])NC(C)C ZINC000263186718 135337818 /nfs/dbraw/zinc/33/78/18/135337818.db2.gz UYZVDPQKVXYVEV-JQWIXIFHSA-N 1 0 211.353 2.124 10 30 BEEERO CC(C)[NH2+]CC#Cc1occc1Br ZINC000575468358 397951319 /nfs/dbraw/zinc/95/13/19/397951319.db2.gz KJPKHVBEFYMCIJ-UHFFFAOYSA-N 1 0 242.116 2.392 10 30 BEEERO CC(C)(C#N)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245409828 398115642 /nfs/dbraw/zinc/11/56/42/398115642.db2.gz ODNFGLCOFUDLOX-ZDUSSCGKSA-N 1 0 235.375 2.096 10 30 BEEERO CC(C)NC(=[NH2+])N[C@@H](C)c1ccc(C#N)cc1 ZINC000052040400 167035927 /nfs/dbraw/zinc/03/59/27/167035927.db2.gz LJINOXAVRTVAGK-JTQLQIEISA-N 1 0 230.315 2.142 10 30 BEEERO CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000070625485 410509458 /nfs/dbraw/zinc/50/94/58/410509458.db2.gz QWSLRFXAJDPURM-UTUOFQBUSA-N 1 0 210.321 2.083 10 30 BEEERO C#CC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019875550 166192373 /nfs/dbraw/zinc/19/23/73/166192373.db2.gz ZGXNGYRYCKPNRK-LLVKDONJSA-N 1 0 203.285 2.369 10 30 BEEERO C=CCCOc1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000051522896 166276244 /nfs/dbraw/zinc/27/62/44/166276244.db2.gz IURKIBLAWGPLPL-UHFFFAOYSA-N 1 0 235.331 2.320 10 30 BEEERO C=CCN(C(=O)[C@@H]([NH3+])CCCC)C1CCCC1 ZINC000037817694 166310368 /nfs/dbraw/zinc/31/03/68/166310368.db2.gz IKSCGNUJFADONN-ZDUSSCGKSA-N 1 0 238.375 2.461 10 30 BEEERO C=CCN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000037817631 166310868 /nfs/dbraw/zinc/31/08/68/166310868.db2.gz AVCUDIXXVYMYDV-ZDUSSCGKSA-N 1 0 236.359 2.086 10 30 BEEERO C=CCN(C(=O)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000037817740 166310935 /nfs/dbraw/zinc/31/09/35/166310935.db2.gz MLKCFTGOSGMGTR-CYBMUJFWSA-N 1 0 232.327 2.109 10 30 BEEERO C=CCN(C(=O)[C@](C)([NH3+])C1CC1)C1CCCC1 ZINC000037817704 166313013 /nfs/dbraw/zinc/31/30/13/166313013.db2.gz MIKGPXZGTJBVCR-CQSZACIVSA-N 1 0 236.359 2.071 10 30 BEEERO C=CCN(CC=C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019504413 166331650 /nfs/dbraw/zinc/33/16/50/166331650.db2.gz VMQURZHANJZYRQ-HZSPNIEDSA-N 1 0 248.370 2.108 10 30 BEEERO C=CCN1c2ccc(OCC)cc2N2CC[NH+]=C12 ZINC000005327627 166352789 /nfs/dbraw/zinc/35/27/89/166352789.db2.gz FYLGDRVNFFNCNH-UHFFFAOYSA-N 1 0 243.310 2.267 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc(Cl)c(N)c1 ZINC000098126630 166398657 /nfs/dbraw/zinc/39/86/57/166398657.db2.gz VEKZOMARILYYHN-GFCCVEGCSA-N 1 0 240.734 2.121 10 30 BEEERO C=CC[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000020033700 166399428 /nfs/dbraw/zinc/39/94/28/166399428.db2.gz VSWSLVLUQSRGCQ-UHFFFAOYSA-N 1 0 224.691 2.054 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc(F)c(F)c1 ZINC000049820743 166399507 /nfs/dbraw/zinc/39/95/07/166399507.db2.gz LFNBXUSBFFUAKP-GFCCVEGCSA-N 1 0 227.254 2.164 10 30 BEEERO CC[NH+](CC)Cc1ccc(C#CCCO)cc1 ZINC000049615646 169790959 /nfs/dbraw/zinc/79/09/59/169790959.db2.gz ZXAFZECBFADEMK-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CC1CC[NH+](Cc2ccccc2C#CCO)CC1 ZINC000049615536 168184714 /nfs/dbraw/zinc/18/47/14/168184714.db2.gz BJBPTCYKKVWAPV-UHFFFAOYSA-N 1 0 243.350 2.262 10 30 BEEERO CC[N@H+](Cc1cccc(/C(N)=N/O)c1)C(C)C ZINC000037082318 169909509 /nfs/dbraw/zinc/90/95/09/169909509.db2.gz LVTALUFSOXXMBU-UHFFFAOYSA-N 1 0 235.331 2.011 10 30 BEEERO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825475 170016286 /nfs/dbraw/zinc/01/62/86/170016286.db2.gz ZVZNQIAOUNRORI-MGPQQGTHSA-N 1 0 235.375 2.000 10 30 BEEERO CC[N@@H+]1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000328221977 170022241 /nfs/dbraw/zinc/02/22/41/170022241.db2.gz YTVNHYFPKVBTDG-JTQLQIEISA-N 1 0 233.290 2.203 10 30 BEEERO CC[NH2+]CCCNc1ccc(C#N)cc1F ZINC000038043506 170112931 /nfs/dbraw/zinc/11/29/31/170112931.db2.gz DZHCALUWZYVZBK-UHFFFAOYSA-N 1 0 221.279 2.109 10 30 BEEERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095091513 170152577 /nfs/dbraw/zinc/15/25/77/170152577.db2.gz PCLWSIIGZPVSTC-HUUCEWRRSA-N 1 0 244.338 2.115 10 30 BEEERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095091475 170153040 /nfs/dbraw/zinc/15/30/40/170153040.db2.gz XFVXPXRXMFLZJI-LSDHHAIUSA-N 1 0 244.338 2.115 10 30 BEEERO CCN[C@@](C)(C#N)CCn1ncc2ccccc21 ZINC000050527887 170155341 /nfs/dbraw/zinc/15/53/41/170155341.db2.gz LQROVYQOKIOPJH-CQSZACIVSA-N 1 0 242.326 2.318 10 30 BEEERO CCN[C@](C)(C#N)CCc1ccc2c(c1)OCO2 ZINC000020379581 170169473 /nfs/dbraw/zinc/16/94/73/170169473.db2.gz XBTXVHSUXWCMSY-AWEZNQCLSA-N 1 0 246.310 2.240 10 30 BEEERO C=CCC1([NH2+]Cc2nnnn2C(C)C)CCCC1 ZINC000661849650 411900436 /nfs/dbraw/zinc/90/04/36/411900436.db2.gz YCLPAPPEEQBUTG-UHFFFAOYSA-N 1 0 249.362 2.233 10 30 BEEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CC)CCO)C1 ZINC000037900145 171046296 /nfs/dbraw/zinc/04/62/96/171046296.db2.gz VIZVMLKLGDELFT-JHJVBQTASA-N 1 0 224.348 2.019 10 30 BEEERO CC[C@H](C)C[C@](C#N)(CC)N1CCC[NH2+]CC1 ZINC000037940365 171299115 /nfs/dbraw/zinc/29/91/15/171299115.db2.gz UTXMAPAVLBMALO-KBPBESRZSA-N 1 0 237.391 2.390 10 30 BEEERO CC[C@H](CC#N)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066406 171319322 /nfs/dbraw/zinc/31/93/22/171319322.db2.gz YSXLTMCFTMJPFA-QWHCGFSZSA-N 1 0 223.364 2.095 10 30 BEEERO CC[C@H](C)NC1(C#N)CC[NH+](C(C)C)CC1 ZINC000038064289 171339136 /nfs/dbraw/zinc/33/91/36/171339136.db2.gz MMTJAEQTCXLJDG-LBPRGKRZSA-N 1 0 223.364 2.141 10 30 BEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CCC ZINC000662842392 412318693 /nfs/dbraw/zinc/31/86/93/412318693.db2.gz NUWQQAHFJOFJRM-JHJVBQTASA-N 1 0 238.375 2.365 10 30 BEEERO CCc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940382 171837827 /nfs/dbraw/zinc/83/78/27/171837827.db2.gz JJKFZUQNYAKJHG-HNNXBMFYSA-N 1 0 243.354 2.109 10 30 BEEERO C[NH+](C)C(C)(C)CNc1ccccc1C#N ZINC000048936219 172397276 /nfs/dbraw/zinc/39/72/76/172397276.db2.gz QZJDBZCXUQKOON-UHFFFAOYSA-N 1 0 217.316 2.310 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1cc(Cl)ccc1C#N ZINC000062786573 173365194 /nfs/dbraw/zinc/36/51/94/173365194.db2.gz DAZXCFUBCXKQLB-MRVPVSSYSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]Cc1ccc(OCCCCC#N)c(OC)c1 ZINC000049578246 173389025 /nfs/dbraw/zinc/38/90/25/173389025.db2.gz HWZCJUAPVKEBRO-UHFFFAOYSA-N 1 0 248.326 2.487 10 30 BEEERO COCCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000062031464 174221305 /nfs/dbraw/zinc/22/13/05/174221305.db2.gz KKAQJFIZMAPTQV-JHJVBQTASA-N 1 0 224.348 2.283 10 30 BEEERO COCC[N@H+]([C@H](C)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000042616472 174302233 /nfs/dbraw/zinc/30/22/33/174302233.db2.gz MJCCGZGQMLPVOM-MRVWCRGKSA-N 1 0 236.359 2.426 10 30 BEEERO COc1ccc(COCC(C)C)cc1C#CC[NH3+] ZINC000049610724 175113708 /nfs/dbraw/zinc/11/37/08/175113708.db2.gz FLYDFUJSBIEMCB-UHFFFAOYSA-N 1 0 247.338 2.178 10 30 BEEERO COc1cccc(C[NH+]2CCC(=NO)CC2)c1 ZINC000019503772 175256710 /nfs/dbraw/zinc/25/67/10/175256710.db2.gz FPBHSUXVBKYBHO-UHFFFAOYSA-N 1 0 234.299 2.121 10 30 BEEERO COc1cccc(C[NH3+])c1OCCCCC#N ZINC000049578304 175256794 /nfs/dbraw/zinc/25/67/94/175256794.db2.gz XTVBFMMZVKZCPW-UHFFFAOYSA-N 1 0 234.299 2.227 10 30 BEEERO COc1ccccc1CNC1=[NH+]C[C@@H](C)S1 ZINC000020354388 175319915 /nfs/dbraw/zinc/31/99/15/175319915.db2.gz DRVLZDPLYNXSCK-SECBINFHSA-N 1 0 236.340 2.276 10 30 BEEERO C[C@H]([NH3+])c1ccc(F)cc1O[C@@H](C)C#N ZINC000062745276 175598464 /nfs/dbraw/zinc/59/84/64/175598464.db2.gz XEJNHWIOYAUPNS-YUMQZZPRSA-N 1 0 208.236 2.136 10 30 BEEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1C#CCO ZINC000049618497 175634113 /nfs/dbraw/zinc/63/41/13/175634113.db2.gz URLBQFUGTRQORM-ZDUSSCGKSA-N 1 0 243.350 2.261 10 30 BEEERO C[C@@H](S)[C@H]1[NH2+]CCc2cccc(F)c21 ZINC000083730138 176007637 /nfs/dbraw/zinc/00/76/37/176007637.db2.gz AUSBTWCUPHWKCT-RDDDGLTNSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H](S)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC000083730147 176007675 /nfs/dbraw/zinc/00/76/75/176007675.db2.gz VFEKTNILLSXDIX-RDDDGLTNSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049613620 176174012 /nfs/dbraw/zinc/17/40/12/176174012.db2.gz OMJVQWQKDSNCTH-GFCCVEGCSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(F)cc1C#N ZINC000335656498 176185930 /nfs/dbraw/zinc/18/59/30/176185930.db2.gz KHWDOQFLKZNWRT-NOZJJQNGSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000123980794 176318803 /nfs/dbraw/zinc/31/88/03/176318803.db2.gz MHWRZPDYEPGRIF-YGRLFVJLSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@@H]1C[NH+]=C(NCc2cccs2)S1 ZINC000035295323 176323182 /nfs/dbraw/zinc/32/31/82/176323182.db2.gz YYDJMSLCDTUPKW-SSDOTTSWSA-N 1 0 212.343 2.329 10 30 BEEERO C[C@@H]1CSC(NCc2ccc(C#N)cc2)=[NH+]1 ZINC000051354696 176349448 /nfs/dbraw/zinc/34/94/48/176349448.db2.gz ZZBAXRCVQVJYMM-SECBINFHSA-N 1 0 231.324 2.139 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049616073 177102368 /nfs/dbraw/zinc/10/23/68/177102368.db2.gz XBXLETODOLPAIW-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(F)cc1C#N ZINC000335656501 177174650 /nfs/dbraw/zinc/17/46/50/177174650.db2.gz KHWDOQFLKZNWRT-ZANVPECISA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000121424449 177300546 /nfs/dbraw/zinc/30/05/46/177300546.db2.gz KDWMREKUSLIXTA-QWRGUYRKSA-N 1 0 248.301 2.307 10 30 BEEERO C[C@H]1CSC(NCc2cccc(C#N)c2)=[NH+]1 ZINC000051667927 177302841 /nfs/dbraw/zinc/30/28/41/177302841.db2.gz OZPPVCKNRGQSRT-VIFPVBQESA-N 1 0 231.324 2.139 10 30 BEEERO C=CCCCN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000135973879 487685847 /nfs/dbraw/zinc/68/58/47/487685847.db2.gz HXEJJKORJNGVMW-ZDUSSCGKSA-N 1 0 240.391 2.422 10 30 BEEERO C=CCOc1cccc(C[NH2+]CC[C@@H](C)O)c1 ZINC000114772030 323196005 /nfs/dbraw/zinc/19/60/05/323196005.db2.gz ZCRCQSQFUGDYLL-GFCCVEGCSA-N 1 0 235.327 2.112 10 30 BEEERO CCOC(=O)C[N@H+](CCCCC#N)C(C)(C)C ZINC000130776180 325087015 /nfs/dbraw/zinc/08/70/15/325087015.db2.gz IWJNQXZVMYUPQD-UHFFFAOYSA-N 1 0 240.347 2.344 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000249047075 325634316 /nfs/dbraw/zinc/63/43/16/325634316.db2.gz WLWKYJPJGAOKLY-RFGFWPKPSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@H]1CC[C@@]2(CCCN2CCCCC#N)C[NH2+]1 ZINC000757126895 582501407 /nfs/dbraw/zinc/50/14/07/582501407.db2.gz HRAXKEMVDBLFJM-KBPBESRZSA-N 1 0 235.375 2.287 10 30 BEEERO C=CCCC[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262340285 534752777 /nfs/dbraw/zinc/75/27/77/534752777.db2.gz GTVCYUYNCSUQFI-AGIUHOORSA-N 1 0 238.375 2.236 10 30 BEEERO C=CCCC[C@H](C)NC(=O)[C@@](C)([NH3+])CCC ZINC000262167476 534760196 /nfs/dbraw/zinc/76/01/96/534760196.db2.gz WGFIUHWAUDNKEJ-AAEUAGOBSA-N 1 0 226.364 2.365 10 30 BEEERO C[NH2+]C[C@H]1CCCN(c2cc(C)ccc2C#N)C1 ZINC000051581221 536465837 /nfs/dbraw/zinc/46/58/37/536465837.db2.gz QKDQYRGMOHZAEO-CYBMUJFWSA-N 1 0 243.354 2.303 10 30 BEEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1CC1(C)C ZINC000262907960 535260196 /nfs/dbraw/zinc/26/01/96/535260196.db2.gz JDOSUQNFOZKRTN-LLVKDONJSA-N 1 0 223.364 2.140 10 30 BEEERO CCCCOCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054826131 535312858 /nfs/dbraw/zinc/31/28/58/535312858.db2.gz HRSFBRWCLBQCTI-NWDGAFQWSA-N 1 0 210.321 2.085 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]CC1CCOCC1 ZINC000111161446 588725374 /nfs/dbraw/zinc/72/53/74/588725374.db2.gz BWSMGWAOFYNSKI-UHFFFAOYSA-N 1 0 229.323 2.054 10 30 BEEERO CCCCCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000100019987 582753392 /nfs/dbraw/zinc/75/33/92/582753392.db2.gz FVLNYSJCVDUJTP-GFCCVEGCSA-N 1 0 226.364 2.073 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043692274 582805589 /nfs/dbraw/zinc/80/55/89/582805589.db2.gz CHIFYIDEVCDWFH-GFCCVEGCSA-N 1 0 249.379 2.324 10 30 BEEERO Cc1cc(C#N)ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000203445634 583110181 /nfs/dbraw/zinc/11/01/81/583110181.db2.gz YJMBAVIUJCRMTN-ZDUSSCGKSA-N 1 0 229.327 2.007 10 30 BEEERO CCCCCCCc1nc(CC[NH2+]C)no1 ZINC000106947449 588317291 /nfs/dbraw/zinc/31/72/91/588317291.db2.gz CRANNPPXBUVOLL-UHFFFAOYSA-N 1 0 225.336 2.344 10 30 BEEERO C=CCCC[N@@H+](C)CN1C[C@@H](CC)CC1=O ZINC000119328993 589271443 /nfs/dbraw/zinc/27/14/43/589271443.db2.gz GBCLUHPKWOMLQY-LBPRGKRZSA-N 1 0 224.348 2.100 10 30 BEEERO C#CC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121211755 589517740 /nfs/dbraw/zinc/51/77/40/589517740.db2.gz LGNARJBLENGEFE-STQMWFEESA-N 1 0 221.344 2.289 10 30 BEEERO C#CC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000121211581 589517948 /nfs/dbraw/zinc/51/79/48/589517948.db2.gz LGNARJBLENGEFE-QWHCGFSZSA-N 1 0 221.344 2.289 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CC(C)C ZINC000121605461 589520547 /nfs/dbraw/zinc/52/05/47/589520547.db2.gz LVPSWRZAXYSBDT-ZDUSSCGKSA-N 1 0 239.359 2.309 10 30 BEEERO C=C(C)COCC[NH2+]CCc1ccccc1 ZINC000125548524 590168495 /nfs/dbraw/zinc/16/84/95/590168495.db2.gz KGUCZFIJGPHOSG-UHFFFAOYSA-N 1 0 219.328 2.411 10 30 BEEERO CC(C)CNC(=[NH2+])NCCC1=CCCC1 ZINC000133892545 591868297 /nfs/dbraw/zinc/86/82/97/591868297.db2.gz PLVLQEIXCMTFRB-UHFFFAOYSA-N 1 0 209.337 2.047 10 30 BEEERO CC(C)CCNC(=[NH2+])NCCC1=CCCC1 ZINC000133908682 591869212 /nfs/dbraw/zinc/86/92/12/591869212.db2.gz QKNKIHCVOJGVJN-UHFFFAOYSA-N 1 0 223.364 2.437 10 30 BEEERO C[C@H](CC#N)[NH2+]CCSC(F)(F)F ZINC000219413973 592223478 /nfs/dbraw/zinc/22/34/78/592223478.db2.gz NGLCVSIDILQLIQ-ZCFIWIBFSA-N 1 0 212.240 2.131 10 30 BEEERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000313024280 634438628 /nfs/dbraw/zinc/43/86/28/634438628.db2.gz PCCHXKHTVSMOCX-TUAOUCFPSA-N 1 0 222.332 2.083 10 30 BEEERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000313024278 634439785 /nfs/dbraw/zinc/43/97/85/634439785.db2.gz PCCHXKHTVSMOCX-SRVKXCTJSA-N 1 0 222.332 2.083 10 30 BEEERO C=CCCCCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000234551383 631584865 /nfs/dbraw/zinc/58/48/65/631584865.db2.gz GUEJYXMYBBXAKR-OLZOCXBDSA-N 1 0 239.359 2.474 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000309022384 632618760 /nfs/dbraw/zinc/61/87/60/632618760.db2.gz VOLKZLLDHPBFCZ-LURJTMIESA-N 1 0 244.751 2.207 10 30 BEEERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309728370 632660903 /nfs/dbraw/zinc/66/09/03/632660903.db2.gz DRYODPZOLNXWJW-YVECIDJPSA-N 1 0 222.332 2.083 10 30 BEEERO CCCCCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000157469053 632913183 /nfs/dbraw/zinc/91/31/83/632913183.db2.gz XXRKYOQQYYHPJL-ZDUSSCGKSA-N 1 0 229.364 2.040 10 30 BEEERO C#CCSCC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000309439631 633918681 /nfs/dbraw/zinc/91/86/81/633918681.db2.gz IDTPNBLWUIIQHI-UTUOFQBUSA-N 1 0 241.400 2.002 10 30 BEEERO CC(C)C[N@H+](CCC#N)C[C@H]1CCC[C@@H](O)C1 ZINC000310196980 634085732 /nfs/dbraw/zinc/08/57/32/634085732.db2.gz ZXHSBRCLFPECBM-UONOGXRCSA-N 1 0 238.375 2.409 10 30 BEEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(C#N)cn1 ZINC000042323146 637173922 /nfs/dbraw/zinc/17/39/22/637173922.db2.gz UBHOHZMUTRYFRM-CYBMUJFWSA-N 1 0 246.358 2.341 10 30 BEEERO C#CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000228201150 640866867 /nfs/dbraw/zinc/86/68/67/640866867.db2.gz NCAXJDRJSPHXOP-KBPBESRZSA-N 1 0 221.344 2.027 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)cc1F ZINC000063169445 641143353 /nfs/dbraw/zinc/14/33/53/641143353.db2.gz SQNQDMHRKRXCFJ-LBPRGKRZSA-N 1 0 247.317 2.276 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CC(C)(C)CO ZINC000124302429 642439933 /nfs/dbraw/zinc/43/99/33/642439933.db2.gz XNTFJTYXRQIDNU-UHFFFAOYSA-N 1 0 249.354 2.360 10 30 BEEERO C#CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069768547 642902877 /nfs/dbraw/zinc/90/28/77/642902877.db2.gz OWZGMGOVOQTTMY-UHFFFAOYSA-N 1 0 218.256 2.016 10 30 BEEERO C#CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000069769142 642903452 /nfs/dbraw/zinc/90/34/52/642903452.db2.gz XOWWQGDWMYTMQG-UHFFFAOYSA-N 1 0 218.256 2.016 10 30 BEEERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000071409331 643143804 /nfs/dbraw/zinc/14/38/04/643143804.db2.gz QLVRCCOAUHGBFP-YPMHNXCESA-N 1 0 230.311 2.483 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccccc1C ZINC000073755136 644108338 /nfs/dbraw/zinc/10/83/38/644108338.db2.gz NUIWCHXZAXIUTK-TZMCWYRMSA-N 1 0 245.370 2.411 10 30 BEEERO C#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095663 644936700 /nfs/dbraw/zinc/93/67/00/644936700.db2.gz PKBFDDIQFCHMMZ-KFWWJZLASA-N 1 0 235.371 2.415 10 30 BEEERO CCCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000706721017 712153029 /nfs/dbraw/zinc/15/30/29/712153029.db2.gz HXUVGIGWJRZLAL-MELADBBJSA-N 1 0 243.391 2.475 10 30 BEEERO COCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000713926204 712473323 /nfs/dbraw/zinc/47/33/23/712473323.db2.gz DDJDIQQMXQEURT-UHFFFAOYSA-N 1 0 236.340 2.134 10 30 BEEERO C=CCC[C@H]([NH2+]C1CC(OC)C1)C1CC1 ZINC000380342585 712890017 /nfs/dbraw/zinc/89/00/17/712890017.db2.gz SDCDTBVTAWYCSB-BPCQOVAHSA-N 1 0 209.333 2.498 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723604276 711524615 /nfs/dbraw/zinc/52/46/15/711524615.db2.gz BGPRNDPYVKYRCI-AHDPXTMNSA-N 1 0 248.370 2.473 10 30 BEEERO N#Cc1cc(Cl)ccc1N1CC[C@H](CC[NH3+])C1 ZINC000723671856 711533483 /nfs/dbraw/zinc/53/34/83/711533483.db2.gz HCAMFMJLXGMPNU-JTQLQIEISA-N 1 0 249.745 2.387 10 30 BEEERO Cc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc1C#N ZINC000701872816 712030952 /nfs/dbraw/zinc/03/09/52/712030952.db2.gz YGFUTFSXKAWBNM-AWEZNQCLSA-N 1 0 246.354 2.363 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709932256 712233349 /nfs/dbraw/zinc/23/33/49/712233349.db2.gz IJPCFDPJLJTRIT-JQWIXIFHSA-N 1 0 235.356 2.358 10 30 BEEERO CN(c1ccc(C#N)cn1)C1(C[NH3+])CCCCC1 ZINC000713295806 712458512 /nfs/dbraw/zinc/45/85/12/712458512.db2.gz FSBBXTNEEOFMIE-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO COCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000713935765 712474138 /nfs/dbraw/zinc/47/41/38/712474138.db2.gz PTARMYUHLXCUFB-UHFFFAOYSA-N 1 0 230.311 2.073 10 30 BEEERO CCC1([NH3+])CCN(c2ccc(F)cc2C#N)CC1 ZINC000714752652 712497099 /nfs/dbraw/zinc/49/70/99/712497099.db2.gz KBQJYLQNKPQNIS-UHFFFAOYSA-N 1 0 247.317 2.405 10 30 BEEERO CC1(C)CN(c2cc(Cl)ccc2C#N)C[C@H]1[NH3+] ZINC000720823582 712867782 /nfs/dbraw/zinc/86/77/82/712867782.db2.gz CYTZFTJKSNALON-GFCCVEGCSA-N 1 0 249.745 2.385 10 30 BEEERO C=CC[NH2+]Cc1cccc2c1OCCCO2 ZINC000036167399 1170197725 /nfs/dbraw/zinc/19/77/25/1170197725.db2.gz GNMMPHGRSIEGSP-UHFFFAOYSA-N 1 0 219.284 2.124 10 30 BEEERO C[C@@H](C#N)C[NH2+]CCc1ccc(F)cc1 ZINC000036984780 1170924439 /nfs/dbraw/zinc/92/44/39/1170924439.db2.gz FWVNPTIBEJMGDE-JTQLQIEISA-N 1 0 206.264 2.117 10 30 BEEERO C=C(C)C[N@@H+]1CCc2c(C#N)c(N)sc2C1 ZINC000041583152 1171185739 /nfs/dbraw/zinc/18/57/39/1171185739.db2.gz HFULOMCLJOGJSN-UHFFFAOYSA-N 1 0 233.340 2.136 10 30 BEEERO CC#CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960270 538907480 /nfs/dbraw/zinc/90/74/80/538907480.db2.gz BGVUTAOJHYAOLR-UHFFFAOYSA-N 1 0 215.296 2.149 10 30 BEEERO C=C(COCC)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960544 538907722 /nfs/dbraw/zinc/90/77/22/538907722.db2.gz QJHGCRDCYPIWOM-UHFFFAOYSA-N 1 0 247.338 2.328 10 30 BEEERO C=CCCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962183 538909218 /nfs/dbraw/zinc/90/92/18/538909218.db2.gz XLQQXCXNQIXWFU-DOMZBBRYSA-N 1 0 247.338 2.454 10 30 BEEERO CCC(CC)C[N@H+](CC)C[C@]1(C=O)CCOC1 ZINC000051178492 168347956 /nfs/dbraw/zinc/34/79/56/168347956.db2.gz IIHPPPYZFOWPKE-AWEZNQCLSA-N 1 0 241.375 2.350 10 30 BEEERO Cc1cc([C@@H](C#N)N2CCC[NH2+]CC2)c(C)s1 ZINC000049687550 178219088 /nfs/dbraw/zinc/21/90/88/178219088.db2.gz OOGDANVDUIMVJD-CYBMUJFWSA-N 1 0 249.383 2.225 10 30 BEEERO Cc1cc([C@H](C#N)N2CCC[NH2+]CC2)c(C)s1 ZINC000049687551 178243983 /nfs/dbraw/zinc/24/39/83/178243983.db2.gz OOGDANVDUIMVJD-ZDUSSCGKSA-N 1 0 249.383 2.225 10 30 BEEERO Cc1ccc(C#N)c(N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000104173854 178363217 /nfs/dbraw/zinc/36/32/17/178363217.db2.gz SAJGXZWDZBGHEX-CYBMUJFWSA-N 1 0 229.327 2.007 10 30 BEEERO Cc1ccc(C#N)c(N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000053246394 178363324 /nfs/dbraw/zinc/36/33/24/178363324.db2.gz RAWQGTYHAAYDHS-AWEZNQCLSA-N 1 0 243.354 2.397 10 30 BEEERO Cc1ccc(C#N)c(NCCCC[NH+](C)C)n1 ZINC000041675511 178364287 /nfs/dbraw/zinc/36/42/87/178364287.db2.gz WKGSATSNZRZPGQ-UHFFFAOYSA-N 1 0 232.331 2.015 10 30 BEEERO Cc1ccc(C#N)c(N[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000063214329 178365657 /nfs/dbraw/zinc/36/56/57/178365657.db2.gz ZSQNLYXGRIQXBU-QWHCGFSZSA-N 1 0 244.342 2.334 10 30 BEEERO C#CC[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000051074647 346830912 /nfs/dbraw/zinc/83/09/12/346830912.db2.gz PVNKJEICOMYWAH-LLVKDONJSA-N 1 0 238.128 2.342 10 30 BEEERO C#CC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000051074728 346833342 /nfs/dbraw/zinc/83/33/42/346833342.db2.gz XWEAJNKXRBERBA-LLVKDONJSA-N 1 0 238.128 2.342 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)cc1F ZINC000320763151 342739407 /nfs/dbraw/zinc/73/94/07/342739407.db2.gz XLJNGBACHXNWSP-DTWKUNHWSA-N 1 0 221.279 2.235 10 30 BEEERO C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580301857 346874820 /nfs/dbraw/zinc/87/48/20/346874820.db2.gz VRKYLGGIFRSHNU-VXGBXAGGSA-N 1 0 210.365 2.176 10 30 BEEERO COc1ccccc1C[N+](=O)C(C)(C)C ZINC000034741875 398343579 /nfs/dbraw/zinc/34/35/79/398343579.db2.gz XUQNWRGNSVUNSG-LCYFTJDESA-N 1 0 207.273 2.423 10 30 BEEERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 ZINC000043395626 343062773 /nfs/dbraw/zinc/06/27/73/343062773.db2.gz CDOWFZQBPNMJHZ-CYBMUJFWSA-N 1 0 244.342 2.158 10 30 BEEERO CC(=O)C1=CC[N@H+](Cc2ccccc2)C1 ZINC000115917760 343120611 /nfs/dbraw/zinc/12/06/11/343120611.db2.gz NDQYIZBVGUATJH-UHFFFAOYSA-N 1 0 201.269 2.018 10 30 BEEERO CCc1nc(C)c(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000336813778 136270995 /nfs/dbraw/zinc/27/09/95/136270995.db2.gz DCOFCDCDKCSSNP-MNOVXSKESA-N 1 0 233.315 2.327 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075044 343534541 /nfs/dbraw/zinc/53/45/41/343534541.db2.gz GHFIOECOCUJDQX-AJNGGQMLSA-N 1 0 247.386 2.285 10 30 BEEERO C=CC[NH2+]CC(=O)CCCOCc1ccccc1 ZINC000309974879 537785411 /nfs/dbraw/zinc/78/54/11/537785411.db2.gz QGMVGKSYUGRKTM-UHFFFAOYSA-N 1 0 247.338 2.328 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330221177 537786216 /nfs/dbraw/zinc/78/62/16/537786216.db2.gz LJVVOTRZHLYVKR-WCFLWFBJSA-N 1 0 247.342 2.262 10 30 BEEERO CC(C)OCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000159019317 346971602 /nfs/dbraw/zinc/97/16/02/346971602.db2.gz MEGNWLCRBLQDIK-NEPJUHHUSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402139228 349867448 /nfs/dbraw/zinc/86/74/48/349867448.db2.gz JMOJWAPKSXDRBR-RWMBFGLXSA-N 1 0 222.332 2.085 10 30 BEEERO C=CCCCn1cc(CCC[NH2+]C)cn1 ZINC000575623420 343876217 /nfs/dbraw/zinc/87/62/17/343876217.db2.gz QCEPUVQJQRVTIU-UHFFFAOYSA-N 1 0 207.321 2.001 10 30 BEEERO C=C(CC)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000313501882 344091152 /nfs/dbraw/zinc/09/11/52/344091152.db2.gz KOXSVTDMCDMYOV-CYBMUJFWSA-N 1 0 208.349 2.123 10 30 BEEERO C=C(CC)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000313501883 344091462 /nfs/dbraw/zinc/09/14/62/344091462.db2.gz KOXSVTDMCDMYOV-ZDUSSCGKSA-N 1 0 208.349 2.123 10 30 BEEERO COCCCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000234629640 344157103 /nfs/dbraw/zinc/15/71/03/344157103.db2.gz WFSJQRVBXVGSGG-OLZOCXBDSA-N 1 0 224.348 2.475 10 30 BEEERO C[C@@H]([NH2+]Cc1cncnc1)c1ccc(C#N)cc1 ZINC000054767477 344246940 /nfs/dbraw/zinc/24/69/40/344246940.db2.gz MXLFVJRHSUZEIM-LLVKDONJSA-N 1 0 238.294 2.199 10 30 BEEERO C=CCC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000132012499 344267445 /nfs/dbraw/zinc/26/74/45/344267445.db2.gz ZDKOSJYESPWPJX-GFCCVEGCSA-N 1 0 207.321 2.136 10 30 BEEERO C#CC[N@@H+](C)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000027653885 344284393 /nfs/dbraw/zinc/28/43/93/344284393.db2.gz VSENRWBXNRWCMN-GFCCVEGCSA-N 1 0 217.312 2.154 10 30 BEEERO COc1ccc(CN[C@H]2CCCC[C@H]2C#N)cn1 ZINC000062070627 344333672 /nfs/dbraw/zinc/33/36/72/344333672.db2.gz GKYQRGMOQFXNNW-STQMWFEESA-N 1 0 245.326 2.262 10 30 BEEERO Cc1[nH+]c2c(n1CCCS)CCCC2 ZINC000127432862 344395438 /nfs/dbraw/zinc/39/54/38/344395438.db2.gz UZJRKMVPQNNGTP-UHFFFAOYSA-N 1 0 210.346 2.390 10 30 BEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Cl)cc1C#N ZINC000600956775 344408170 /nfs/dbraw/zinc/40/81/70/344408170.db2.gz HIHJRXRZRUDMJD-GZMMTYOYSA-N 1 0 235.718 2.374 10 30 BEEERO CC[NH+](CC)CCCN[C@H]1CCCC[C@@H]1C#N ZINC000054824028 344457702 /nfs/dbraw/zinc/45/77/02/344457702.db2.gz KFVFKGHIRQHZMZ-KGLIPLIRSA-N 1 0 237.391 2.390 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000054825550 344471931 /nfs/dbraw/zinc/47/19/31/344471931.db2.gz FHCLCHXVTYIPHD-KGLIPLIRSA-N 1 0 229.327 2.296 10 30 BEEERO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000381060284 344475132 /nfs/dbraw/zinc/47/51/32/344475132.db2.gz KUSLBVKIPUFLJZ-VXGBXAGGSA-N 1 0 224.348 2.331 10 30 BEEERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)OC ZINC000381175117 344482544 /nfs/dbraw/zinc/48/25/44/344482544.db2.gz CYQYKVAZNGNWHR-LOWDOPEQSA-N 1 0 224.348 2.329 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152559232 344604464 /nfs/dbraw/zinc/60/44/64/344604464.db2.gz RGBIZJSNZZAWNT-CYBMUJFWSA-N 1 0 218.300 2.111 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152559127 344604482 /nfs/dbraw/zinc/60/44/82/344604482.db2.gz RGBIZJSNZZAWNT-ZDUSSCGKSA-N 1 0 218.300 2.111 10 30 BEEERO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162584169 345025045 /nfs/dbraw/zinc/02/50/45/345025045.db2.gz WWOBWCXOMJXRIU-YFKTTZPYSA-N 1 0 209.333 2.354 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248064046 345029279 /nfs/dbraw/zinc/02/92/79/345029279.db2.gz ZDGWHWVCPMEYDU-QWHCGFSZSA-N 1 0 209.333 2.190 10 30 BEEERO C=C(Cl)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000370089329 345225375 /nfs/dbraw/zinc/22/53/75/345225375.db2.gz AFODOIURFPRMAP-OUAUKWLOSA-N 1 0 227.735 2.286 10 30 BEEERO CC#CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000248398139 345367176 /nfs/dbraw/zinc/36/71/76/345367176.db2.gz SUCFPDAEIUGUTE-MCIONIFRSA-N 1 0 249.354 2.206 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921456 345714634 /nfs/dbraw/zinc/71/46/34/345714634.db2.gz CVCULQPVWGKGII-KSSYENDESA-N 1 0 204.317 2.457 10 30 BEEERO C=C(Cl)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000164062743 345778378 /nfs/dbraw/zinc/77/83/78/345778378.db2.gz KTHMZQJFZLWALR-ZJUUUORDSA-N 1 0 203.713 2.022 10 30 BEEERO O=C(C1=CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000236411760 346237284 /nfs/dbraw/zinc/23/72/84/346237284.db2.gz ZVWUGYBOIWLGHO-LBPRGKRZSA-N 1 0 207.317 2.446 10 30 BEEERO Cc1ncc(CN2CCCC[C@H]2C=O)s1 ZINC000062337827 346240488 /nfs/dbraw/zinc/24/04/88/346240488.db2.gz IUTOVRPCFDZKRL-JTQLQIEISA-N 1 0 224.329 2.005 10 30 BEEERO CC#CC[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000641767578 362703042 /nfs/dbraw/zinc/70/30/42/362703042.db2.gz LUNVSZAJJHJAFC-JXQTWKCFSA-N 1 0 223.360 2.177 10 30 BEEERO C#C[C@H]([NH3+])[C@@H](C)Oc1cccc(Cl)c1 ZINC000163753821 346574625 /nfs/dbraw/zinc/57/46/25/346574625.db2.gz NTBFTKCWZZXCAH-KCJUWKMLSA-N 1 0 209.676 2.068 10 30 BEEERO C#C[C@H]([NH3+])c1csc(Br)c1 ZINC000163753208 346575175 /nfs/dbraw/zinc/57/51/75/346575175.db2.gz KHXDPDSVRWWNDF-LURJTMIESA-N 1 0 216.103 2.144 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CCO1 ZINC000300385843 346575932 /nfs/dbraw/zinc/57/59/32/346575932.db2.gz OAKFFBVQNCIRSC-YVECIDJPSA-N 1 0 222.332 2.226 10 30 BEEERO N#Cc1ccc(Cl)cc1NCC[NH2+]C1CC1 ZINC000062785925 346661353 /nfs/dbraw/zinc/66/13/53/346661353.db2.gz SWBQEMAAZFNYDN-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401581468 347156955 /nfs/dbraw/zinc/15/69/55/347156955.db2.gz KIVCDXUPWKJYGE-NHYWBVRUSA-N 1 0 244.338 2.069 10 30 BEEERO Cc1cccc([C@H](C#N)NCCC[NH+](C)C)c1 ZINC000019987665 179191509 /nfs/dbraw/zinc/19/15/09/179191509.db2.gz AZDMZMGBQBZHRY-AWEZNQCLSA-N 1 0 231.343 2.101 10 30 BEEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCOCC1 ZINC000300566797 347254180 /nfs/dbraw/zinc/25/41/80/347254180.db2.gz CTYYFOBVUSEWTJ-UBHSHLNASA-N 1 0 236.359 2.473 10 30 BEEERO CC[C@](C)(C[NH2+][C@H]1CCC[C@@H]1C#N)OC ZINC000322681229 347405912 /nfs/dbraw/zinc/40/59/12/347405912.db2.gz IEQIUIQZRZDTNE-GRYCIOLGSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nn(C)cc1CC#N ZINC000675055295 537990106 /nfs/dbraw/zinc/99/01/06/537990106.db2.gz ZJSJANHSDKJTJD-TXEJJXNPSA-N 1 0 246.358 2.249 10 30 BEEERO Cc1ccccc1C[NH+]1CCC(=NO)CC1 ZINC000019429734 179271449 /nfs/dbraw/zinc/27/14/49/179271449.db2.gz RKMVMRXSWKXKKM-UHFFFAOYSA-N 1 0 218.300 2.421 10 30 BEEERO Cc1ccccc1C[NH+]1CCN([C@H](C)C#N)CC1 ZINC000049831481 179274348 /nfs/dbraw/zinc/27/43/48/179274348.db2.gz WLBUDBASFAWXQT-CQSZACIVSA-N 1 0 243.354 2.025 10 30 BEEERO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccn1 ZINC000592182358 347759627 /nfs/dbraw/zinc/75/96/27/347759627.db2.gz RQAGAHNJNGSVMC-IACUBPJLSA-N 1 0 227.311 2.231 10 30 BEEERO CCSCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000308540385 347822683 /nfs/dbraw/zinc/82/26/83/347822683.db2.gz NSCFCMUEYNBSDZ-GHMZBOCLSA-N 1 0 212.362 2.411 10 30 BEEERO Cc1ccccc1N[C@@]1(C#N)CCN(C)C1 ZINC000061990905 179307254 /nfs/dbraw/zinc/30/72/54/179307254.db2.gz DDWBXMJFTOWOEB-CYBMUJFWSA-N 1 0 215.300 2.005 10 30 BEEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)c(F)c1 ZINC000593233893 347873307 /nfs/dbraw/zinc/87/33/07/347873307.db2.gz ZYYMSZLDQPVKGI-UHFFFAOYSA-N 1 0 247.317 2.499 10 30 BEEERO Cc1ccccc1[C@H](C[NH3+])N(CCC#N)C1CC1 ZINC000043037265 179341889 /nfs/dbraw/zinc/34/18/89/179341889.db2.gz CWJXXMSYZNUIBO-HNNXBMFYSA-N 1 0 243.354 2.373 10 30 BEEERO C#CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037184952 348054966 /nfs/dbraw/zinc/05/49/66/348054966.db2.gz ZRIMNLPUPVBKRP-GFCCVEGCSA-N 1 0 203.310 2.197 10 30 BEEERO CN(CC(C)(C)[NH3+])c1ccc(Cl)cc1C#N ZINC000594693895 348100698 /nfs/dbraw/zinc/10/06/98/348100698.db2.gz XYUYQQPRXJGDFX-UHFFFAOYSA-N 1 0 237.734 2.385 10 30 BEEERO C=C(C)COc1ccc(C[NH2+]C)cc1OC ZINC000037704283 187392312 /nfs/dbraw/zinc/39/23/12/187392312.db2.gz IRDZULAMYNGJPZ-UHFFFAOYSA-N 1 0 221.300 2.370 10 30 BEEERO C#CCOc1c(C[NH2+]CC)cccc1OCC ZINC000037704919 187392565 /nfs/dbraw/zinc/39/25/65/187392565.db2.gz RZJCTJJXVJZBBY-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO Cc1ccc(C#N)c(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000596029933 348426375 /nfs/dbraw/zinc/42/63/75/348426375.db2.gz FGMAOCRNWWPCKT-GFCCVEGCSA-N 1 0 232.331 2.047 10 30 BEEERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CO1 ZINC000597197776 348673901 /nfs/dbraw/zinc/67/39/01/348673901.db2.gz YXPOKGKUTBFUET-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382194652 348960054 /nfs/dbraw/zinc/96/00/54/348960054.db2.gz CVCULQPVWGKGII-KIJLLGNVSA-N 1 0 204.317 2.457 10 30 BEEERO CC(C)(C)[C@H](C[NH3+])Oc1ccc(C#N)cc1 ZINC000043295790 187432403 /nfs/dbraw/zinc/43/24/03/187432403.db2.gz ATMZFYFKZFLHJD-LBPRGKRZSA-N 1 0 218.300 2.310 10 30 BEEERO C=C(C)C(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616571858 349061164 /nfs/dbraw/zinc/06/11/64/349061164.db2.gz NWYOXWVVXKLPJG-LBPRGKRZSA-N 1 0 236.359 2.073 10 30 BEEERO N#CCCCC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000049578454 187435004 /nfs/dbraw/zinc/43/50/04/187435004.db2.gz RHVQNDIRVOKNNL-ZDUSSCGKSA-N 1 0 230.311 2.274 10 30 BEEERO CC#CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000051663400 350021754 /nfs/dbraw/zinc/02/17/54/350021754.db2.gz DAWWFCHDHMZAGW-MRVPVSSYSA-N 1 0 208.330 2.434 10 30 BEEERO N#Cc1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000150237419 350038951 /nfs/dbraw/zinc/03/89/51/350038951.db2.gz BLNCIHZAFFHIMY-GFCCVEGCSA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1ccccc1COCC1CC[NH2+]CC1 ZINC000051815036 350135207 /nfs/dbraw/zinc/13/52/07/350135207.db2.gz LIYKPFWCEQRZKA-UHFFFAOYSA-N 1 0 230.311 2.074 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000324539907 350307111 /nfs/dbraw/zinc/30/71/11/350307111.db2.gz RMXODFOBJYQBBD-IJLUTSLNSA-N 1 0 224.348 2.065 10 30 BEEERO C=C(C)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000334451083 350488742 /nfs/dbraw/zinc/48/87/42/350488742.db2.gz URTNQCULPJEBRR-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO C=C(C)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000334451084 350488897 /nfs/dbraw/zinc/48/88/97/350488897.db2.gz URTNQCULPJEBRR-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000063100006 350572070 /nfs/dbraw/zinc/57/20/70/350572070.db2.gz OYKFOGRXNMGLJS-YUMQZZPRSA-N 1 0 206.211 2.221 10 30 BEEERO O=[N+](Cc1ccco1)Cc1ccccc1 ZINC000100482759 187458526 /nfs/dbraw/zinc/45/85/26/187458526.db2.gz CKWUUHDYDZXAJZ-JLHYYAGUSA-N 1 0 201.225 2.409 10 30 BEEERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616597551 350652804 /nfs/dbraw/zinc/65/28/04/350652804.db2.gz BCBYWUGSMFTLRZ-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616598809 350687517 /nfs/dbraw/zinc/68/75/17/350687517.db2.gz SIOYHZGLBRVRKX-HNNXBMFYSA-N 1 0 244.338 2.382 10 30 BEEERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600054 350779051 /nfs/dbraw/zinc/77/90/51/350779051.db2.gz ZJEGGIYKSOGYSD-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO C=C[C@H](c1cccs1)N1CCOCC1 ZINC000306696724 350848216 /nfs/dbraw/zinc/84/82/16/350848216.db2.gz XWCURCWBYFQOOE-SNVBAGLBSA-N 1 0 209.314 2.307 10 30 BEEERO N#Cc1ccc([C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000616616392 350855259 /nfs/dbraw/zinc/85/52/59/350855259.db2.gz MDMWKWQOVQOOHB-AWEZNQCLSA-N 1 0 230.311 2.078 10 30 BEEERO C[C@H](CS)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251553309 350898865 /nfs/dbraw/zinc/89/88/65/350898865.db2.gz CFVQGXYSKVSKAZ-UWVGGRQHSA-N 1 0 217.378 2.052 10 30 BEEERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)O1 ZINC000398172208 351008820 /nfs/dbraw/zinc/00/88/20/351008820.db2.gz UVXUZBDARDPDFK-YVECIDJPSA-N 1 0 222.332 2.226 10 30 BEEERO CN/C(=[NH+]/C)SCc1ccnc(Cl)c1 ZINC000306789966 351039389 /nfs/dbraw/zinc/03/93/89/351039389.db2.gz UOOOLTMAQVKUIW-UHFFFAOYSA-N 1 0 229.736 2.173 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@H](c2cccc(C#N)c2)C1 ZINC000616632992 351114248 /nfs/dbraw/zinc/11/42/48/351114248.db2.gz USEAGHRFBDZRRT-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336719402 351145493 /nfs/dbraw/zinc/14/54/93/351145493.db2.gz YDWWGJWQAAVTAN-VOAKCMCISA-N 1 0 217.316 2.351 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336719397 351145590 /nfs/dbraw/zinc/14/55/90/351145590.db2.gz YDWWGJWQAAVTAN-FVCCEPFGSA-N 1 0 217.316 2.351 10 30 BEEERO C=C(C)CNc1cc(N)[nH+]cc1Br ZINC000306838328 351148638 /nfs/dbraw/zinc/14/86/38/351148638.db2.gz XEUSOMJXEGKIDP-UHFFFAOYSA-N 1 0 242.120 2.414 10 30 BEEERO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000086500215 351166031 /nfs/dbraw/zinc/16/60/31/351166031.db2.gz BLHMKXIFNQDDGU-GHMZBOCLSA-N 1 0 236.340 2.013 10 30 BEEERO C=C(Br)CNc1ccc(N)c(C)[nH+]1 ZINC000168187521 351335324 /nfs/dbraw/zinc/33/53/24/351335324.db2.gz GWKIBAHZNKLWJE-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO CNC(Nc1ccccc1Br)=[NH+]C ZINC000307081134 351469662 /nfs/dbraw/zinc/46/96/62/351469662.db2.gz SQGSDZIVEQIORR-UHFFFAOYSA-N 1 0 242.120 2.066 10 30 BEEERO C=CC[C@@H](C[NH3+])COCc1ccccc1 ZINC000307114167 351485843 /nfs/dbraw/zinc/48/58/43/351485843.db2.gz SPGJLNAQKGNLSS-ZDUSSCGKSA-N 1 0 205.301 2.354 10 30 BEEERO C=C([C@@H]([NH3+])[C@H]1CCCCO1)C(F)(F)F ZINC000307189623 351589808 /nfs/dbraw/zinc/58/98/08/351589808.db2.gz VGPQYRHZMODAOM-HTQZYQBOSA-N 1 0 209.211 2.001 10 30 BEEERO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000276274862 351613587 /nfs/dbraw/zinc/61/35/87/351613587.db2.gz DQNCYJYWGBHIBE-WCQYABFASA-N 1 0 232.331 2.249 10 30 BEEERO CC(C)[C@H](C)[NH2+]Cc1cccnc1C#N ZINC000061657276 187495787 /nfs/dbraw/zinc/49/57/87/187495787.db2.gz HIDRAXNZTBSJEQ-JTQLQIEISA-N 1 0 203.289 2.087 10 30 BEEERO CC(C)=CC(=O)[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000307309865 351952804 /nfs/dbraw/zinc/95/28/04/351952804.db2.gz XYADGAGTZSIKOT-UTUOFQBUSA-N 1 0 207.317 2.300 10 30 BEEERO CC(C)=CC(=O)[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000307309858 351952987 /nfs/dbraw/zinc/95/29/87/351952987.db2.gz XYADGAGTZSIKOT-IJLUTSLNSA-N 1 0 207.317 2.300 10 30 BEEERO C=CCN(CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032014913 166341342 /nfs/dbraw/zinc/34/13/42/166341342.db2.gz OGQTYNXZMIAQLR-UHFFFAOYSA-N 1 0 224.735 2.287 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638454491 352263954 /nfs/dbraw/zinc/26/39/54/352263954.db2.gz HKSBLVPQGOFOAH-RYUDHWBXSA-N 1 0 238.375 2.093 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000411317637 191176707 /nfs/dbraw/zinc/17/67/07/191176707.db2.gz CRNASODWNZYGDC-MCIONIFRSA-N 1 0 236.359 2.306 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000164063214 352556284 /nfs/dbraw/zinc/55/62/84/352556284.db2.gz BJCBDUNPNVSCSL-ZJUUUORDSA-N 1 0 248.164 2.178 10 30 BEEERO C#Cc1cccc(NC(=O)CCC[NH2+]C(C)C)c1 ZINC000037632892 187805607 /nfs/dbraw/zinc/80/56/07/187805607.db2.gz LRAMVOHMKYZRTC-UHFFFAOYSA-N 1 0 244.338 2.385 10 30 BEEERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000267263910 187844678 /nfs/dbraw/zinc/84/46/78/187844678.db2.gz KWINLMINMJGJSH-RISCZKNCSA-N 1 0 248.326 2.302 10 30 BEEERO N#Cc1c(F)cccc1N[C@H](CC[NH3+])C(F)F ZINC000383430202 352979449 /nfs/dbraw/zinc/97/94/49/352979449.db2.gz HOEUWGCZMSJWKT-SNVBAGLBSA-N 1 0 243.232 2.092 10 30 BEEERO C#CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019875422 188174179 /nfs/dbraw/zinc/17/41/79/188174179.db2.gz PSMDIFMJWUIWGW-UHFFFAOYSA-N 1 0 213.202 2.428 10 30 BEEERO C=CC[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000121325429 324011111 /nfs/dbraw/zinc/01/11/11/324011111.db2.gz VSHUUKKJSUKAAU-UHFFFAOYSA-N 1 0 236.334 2.375 10 30 BEEERO COCc1nc(C[NH2+]CCCCC#N)cs1 ZINC000164498233 353272741 /nfs/dbraw/zinc/27/27/41/353272741.db2.gz HLJUKKXXNAHCPK-UHFFFAOYSA-N 1 0 239.344 2.073 10 30 BEEERO C#CC[NH2+]C[C@H](C)N1CCc2sccc2[C@H]1C ZINC000053495026 188220015 /nfs/dbraw/zinc/22/00/15/188220015.db2.gz FIEXARMZMDTPSS-NWDGAFQWSA-N 1 0 248.395 2.279 10 30 BEEERO C=C(C)CN(CC)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102453241 188225102 /nfs/dbraw/zinc/22/51/02/188225102.db2.gz YLJINTBLQGJBPV-CYBMUJFWSA-N 1 0 245.326 2.041 10 30 BEEERO Fc1cccc2c1CC[NH2+][C@@H]2CCS ZINC000083665051 181005964 /nfs/dbraw/zinc/00/59/64/181005964.db2.gz LVNUDWKIQBWMJA-LLVKDONJSA-N 1 0 211.305 2.332 10 30 BEEERO N#CCCN(C1CC1)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000042548409 181037396 /nfs/dbraw/zinc/03/73/96/181037396.db2.gz CUBUATVWWCRUFL-CHWSQXEVSA-N 1 0 221.348 2.024 10 30 BEEERO N#CC[C@H](c1ccccc1)N1CCCC[C@@H]1C[NH3+] ZINC000055019666 181046072 /nfs/dbraw/zinc/04/60/72/181046072.db2.gz IUGHZOPRLBSEBJ-HUUCEWRRSA-N 1 0 243.354 2.455 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[N@H+](CCO)C1CCCC1 ZINC000042505879 181067301 /nfs/dbraw/zinc/06/73/01/181067301.db2.gz QOZSGJYBAPYAGX-OCCSQVGLSA-N 1 0 236.359 2.306 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042579785 166388551 /nfs/dbraw/zinc/38/85/51/166388551.db2.gz FNPUPGSPSJBIDP-RWMBFGLXSA-N 1 0 238.375 2.236 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000054827340 181069346 /nfs/dbraw/zinc/06/93/46/181069346.db2.gz CMFCFLBHCFUQSR-ZIAGYGMSSA-N 1 0 235.375 2.144 10 30 BEEERO N#Cc1cc(F)ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335583429 181088602 /nfs/dbraw/zinc/08/86/02/181088602.db2.gz YOSOKQVIWFMIFM-SKDRFNHKSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC000082004094 181095993 /nfs/dbraw/zinc/09/59/93/181095993.db2.gz JCCTUMSJMQXJTP-UHFFFAOYSA-N 1 0 209.252 2.079 10 30 BEEERO N#Cc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)o1 ZINC000129956036 181102884 /nfs/dbraw/zinc/10/28/84/181102884.db2.gz YZBNHMPCDVZKBH-LLVKDONJSA-N 1 0 246.310 2.152 10 30 BEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070573795 181118603 /nfs/dbraw/zinc/11/86/03/181118603.db2.gz SFXBSGZRGKZXJZ-VXGBXAGGSA-N 1 0 243.310 2.014 10 30 BEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070573796 181119692 /nfs/dbraw/zinc/11/96/92/181119692.db2.gz SFXBSGZRGKZXJZ-NWDGAFQWSA-N 1 0 243.310 2.014 10 30 BEEERO N#Cc1ccccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037404508 181147969 /nfs/dbraw/zinc/14/79/69/181147969.db2.gz ZGNOCOYFQJLSNG-LBPRGKRZSA-N 1 0 241.338 2.454 10 30 BEEERO N#Cc1ccccc1OCCC[C@H]1CCC[NH2+]1 ZINC000071309102 181149416 /nfs/dbraw/zinc/14/94/16/181149416.db2.gz VHRKSUXQLKWFAN-CYBMUJFWSA-N 1 0 230.311 2.469 10 30 BEEERO N#Cc1ccccc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883321 181150102 /nfs/dbraw/zinc/15/01/02/181150102.db2.gz GLDULBNRGCVDOC-LBPRGKRZSA-N 1 0 216.284 2.079 10 30 BEEERO N#CC1(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)CCC1 ZINC000335160028 354867413 /nfs/dbraw/zinc/86/74/13/354867413.db2.gz TZJKQPKXZRVLOV-STQMWFEESA-N 1 0 246.354 2.181 10 30 BEEERO N#CC1(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CCC1 ZINC000335160026 354867498 /nfs/dbraw/zinc/86/74/98/354867498.db2.gz TZJKQPKXZRVLOV-OLZOCXBDSA-N 1 0 246.354 2.181 10 30 BEEERO N#Cc1ccnc(OCCCC2CC[NH2+]CC2)c1 ZINC000095072080 181157923 /nfs/dbraw/zinc/15/79/23/181157923.db2.gz FFBUQKXHEVVLSP-UHFFFAOYSA-N 1 0 245.326 2.112 10 30 BEEERO N#Cc1ccnc(OCCC[C@@H]2CCC[NH2+]C2)c1 ZINC000095072078 181158083 /nfs/dbraw/zinc/15/80/83/181158083.db2.gz IYNLGRNODSCMGS-LBPRGKRZSA-N 1 0 245.326 2.112 10 30 BEEERO N/C(=N\O)c1ccccc1C[NH+]1CCCCCC1 ZINC000019518728 181181626 /nfs/dbraw/zinc/18/16/26/181181626.db2.gz OGGZHSFGXOPKSM-UHFFFAOYSA-N 1 0 247.342 2.157 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@@H]1CCCOC1 ZINC000388916968 355339312 /nfs/dbraw/zinc/33/93/12/355339312.db2.gz ORVDQWIZXGEASA-IGQOVBAYSA-N 1 0 236.359 2.473 10 30 BEEERO C[C@H]1C[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C[C@@H](C)C1 ZINC000675059235 538483872 /nfs/dbraw/zinc/48/38/72/538483872.db2.gz DXUAYTGIXYMFND-VJTDZRGJSA-N 1 0 223.360 2.483 10 30 BEEERO C=CC[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123808868 358508377 /nfs/dbraw/zinc/50/83/77/358508377.db2.gz ZTXHWZSPBLUTLT-LLVKDONJSA-N 1 0 240.310 2.260 10 30 BEEERO Cn1cc(CC#N)c(C[NH+]2CCC(C)(C)CC2)n1 ZINC000675056048 538477732 /nfs/dbraw/zinc/47/77/32/538477732.db2.gz JEWIJRZDEAXWRH-UHFFFAOYSA-N 1 0 246.358 2.108 10 30 BEEERO C=C1CCC(CC2=C[C@H](O)C[NH2+]C2)CC1 ZINC000675077815 538513714 /nfs/dbraw/zinc/51/37/14/538513714.db2.gz RJYUOTJLMNXWEY-ZDUSSCGKSA-N 1 0 207.317 2.013 10 30 BEEERO CC(C)([NH3+])c1cccc(C#Cc2cn[nH]c2)c1 ZINC000675077160 538511922 /nfs/dbraw/zinc/51/19/22/538511922.db2.gz YRWZOQLCCLFWDH-UHFFFAOYSA-N 1 0 225.295 2.003 10 30 BEEERO CC(C)(C#N)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232531288 357664476 /nfs/dbraw/zinc/66/44/76/357664476.db2.gz LWQMDDXQOZAMOC-CQSZACIVSA-N 1 0 249.402 2.486 10 30 BEEERO C=CCC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000191350572 357766222 /nfs/dbraw/zinc/76/62/22/357766222.db2.gz GILMWDNUHOTGKG-ZDUSSCGKSA-N 1 0 248.370 2.039 10 30 BEEERO N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000351224313 358163351 /nfs/dbraw/zinc/16/33/51/358163351.db2.gz JZYXMOSXSYDLTJ-UONOGXRCSA-N 1 0 242.322 2.421 10 30 BEEERO C[C@H](CC#N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000584620742 358287958 /nfs/dbraw/zinc/28/79/58/358287958.db2.gz VFOOHVNLBLVVDS-CQSZACIVSA-N 1 0 243.354 2.358 10 30 BEEERO C[NH+](C)CCC#CCN1CCCc2ccccc21 ZINC000584631699 358314056 /nfs/dbraw/zinc/31/40/56/358314056.db2.gz LVISKUSRAPWXHG-UHFFFAOYSA-N 1 0 242.366 2.394 10 30 BEEERO C#CC(C)(C)[N@H+](CC)CCO[C@@H]1CCCCO1 ZINC000584631236 358282703 /nfs/dbraw/zinc/28/27/03/358282703.db2.gz HNOBOCKLZGMFGH-CYBMUJFWSA-N 1 0 239.359 2.263 10 30 BEEERO COc1ccc2[nH]cc([C@@H](C#N)[C@@H](C)[NH3+])c2c1 ZINC000584618846 358284707 /nfs/dbraw/zinc/28/47/07/358284707.db2.gz SVBGSYFPFLTREK-KCJUWKMLSA-N 1 0 229.283 2.131 10 30 BEEERO COc1ccc2[nH]cc([C@H](C#N)[C@@H](C)[NH3+])c2c1 ZINC000584618848 358284741 /nfs/dbraw/zinc/28/47/41/358284741.db2.gz SVBGSYFPFLTREK-LDYMZIIASA-N 1 0 229.283 2.131 10 30 BEEERO C=C[C@](C)(CC)C(=O)N1CCC([NH+](C)C)CC1 ZINC000134939004 325383803 /nfs/dbraw/zinc/38/38/03/325383803.db2.gz IRZOQNAPWULZLE-CQSZACIVSA-N 1 0 238.375 2.141 10 30 BEEERO COc1cccc(F)c1[C@H](C)NCCC#N ZINC000126870573 358557536 /nfs/dbraw/zinc/55/75/36/358557536.db2.gz JMUJHORSMVZRBS-VIFPVBQESA-N 1 0 222.263 2.399 10 30 BEEERO CC#CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124956035 358530349 /nfs/dbraw/zinc/53/03/49/358530349.db2.gz YLJWKQGDDFRYMQ-ZNMIVQPWSA-N 1 0 235.371 2.415 10 30 BEEERO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cccs1 ZINC000308562174 491137051 /nfs/dbraw/zinc/13/70/51/491137051.db2.gz FXNIUWYGLKCVOE-ZJUUUORDSA-N 1 0 211.330 2.336 10 30 BEEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cccs1 ZINC000308562170 491137061 /nfs/dbraw/zinc/13/70/61/491137061.db2.gz FXNIUWYGLKCVOE-NXEZZACHSA-N 1 0 211.330 2.336 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220290426 134301944 /nfs/dbraw/zinc/30/19/44/134301944.db2.gz HGELRCIKVDDEQT-ZIAGYGMSSA-N 1 0 236.359 2.307 10 30 BEEERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12CO2 ZINC000306196709 359025188 /nfs/dbraw/zinc/02/51/88/359025188.db2.gz LBISXHXPNOWRKD-DGCLKSJQSA-N 1 0 203.285 2.050 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000130294600 359027192 /nfs/dbraw/zinc/02/71/92/359027192.db2.gz OCIQNPPWOPWAML-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@H]([NH3+])c1cc(F)ccc1Br ZINC000130280377 359001767 /nfs/dbraw/zinc/00/17/67/359001767.db2.gz CGDKVLWKGPTMPU-VIFPVBQESA-N 1 0 228.064 2.221 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(C)cc1Br ZINC000130287210 359012407 /nfs/dbraw/zinc/01/24/07/359012407.db2.gz BFHRZELXSRRQAV-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(Br)cc1OC ZINC000130320769 359498345 /nfs/dbraw/zinc/49/83/45/359498345.db2.gz PAXXYCGMCQUFJO-VIFPVBQESA-N 1 0 240.100 2.091 10 30 BEEERO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CO1 ZINC000306302690 359577965 /nfs/dbraw/zinc/57/79/65/359577965.db2.gz HCSGWHIIFWWFDO-HTQZYQBOSA-N 1 0 223.238 2.048 10 30 BEEERO C#C[C@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169240303 359877939 /nfs/dbraw/zinc/87/79/39/359877939.db2.gz VIWCTSWVLVVCQT-JTQLQIEISA-N 1 0 242.091 2.482 10 30 BEEERO C[C@H](C#N)C[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090976990 360095975 /nfs/dbraw/zinc/09/59/75/360095975.db2.gz UXMIXZVAFOBJPP-YPMHNXCESA-N 1 0 214.312 2.418 10 30 BEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094460487 360308531 /nfs/dbraw/zinc/30/85/31/360308531.db2.gz FJJJFRCZFVYMEU-CHWSQXEVSA-N 1 0 235.375 2.095 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCCO1 ZINC000248709815 325618040 /nfs/dbraw/zinc/61/80/40/325618040.db2.gz BEIIPJWHQVMNNT-UMSGYPCISA-N 1 0 222.332 2.226 10 30 BEEERO C=C[C@@H]([NH3+])c1coc(Br)c1 ZINC000238577074 361157292 /nfs/dbraw/zinc/15/72/92/361157292.db2.gz GBLNELJKHCYPOT-ZCFIWIBFSA-N 1 0 202.051 2.228 10 30 BEEERO [NH3+]CC#Cc1ccc(COCc2ccco2)cc1 ZINC000049610361 181346276 /nfs/dbraw/zinc/34/62/76/181346276.db2.gz LLZAMMGJXKNIMH-UHFFFAOYSA-N 1 0 241.290 2.307 10 30 BEEERO [NH3+]CC#Cc1ccc(NC(=O)C2CCCC2)cc1 ZINC000037551038 181346659 /nfs/dbraw/zinc/34/66/59/181346659.db2.gz JFRAUONHUFLXRK-UHFFFAOYSA-N 1 0 242.322 2.126 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCCOC1 ZINC000388916971 364224884 /nfs/dbraw/zinc/22/48/84/364224884.db2.gz ORVDQWIZXGEASA-REWJHTLYSA-N 1 0 236.359 2.473 10 30 BEEERO C[C@@H](C[NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000309013711 541384202 /nfs/dbraw/zinc/38/42/02/541384202.db2.gz YKZNTMSXHSOASG-QMMMGPOBSA-N 1 0 223.707 2.218 10 30 BEEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689983 367089088 /nfs/dbraw/zinc/08/90/88/367089088.db2.gz QWYJXONAADFDEI-PJSNJIKXSA-N 1 0 209.333 2.069 10 30 BEEERO CSCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000069001136 370872034 /nfs/dbraw/zinc/87/20/34/370872034.db2.gz RFHINRRYPGGINU-QWRGUYRKSA-N 1 0 212.362 2.411 10 30 BEEERO CCOC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000081546012 370890136 /nfs/dbraw/zinc/89/01/36/370890136.db2.gz WWZOMIBATSRMFG-NWDGAFQWSA-N 1 0 238.331 2.002 10 30 BEEERO CC[C@H]1CN(c2ccc(F)cc2C#N)CC[C@H]1[NH3+] ZINC000251658049 369885607 /nfs/dbraw/zinc/88/56/07/369885607.db2.gz GWZALSKBUUDJHE-GXFFZTMASA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C#N)CC[N@@H+]1C ZINC000252134596 369999479 /nfs/dbraw/zinc/99/94/79/369999479.db2.gz MKMPJRFLRXITTR-SYQHCUMBSA-N 1 0 235.375 2.141 10 30 BEEERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[C@@H]1C#N ZINC000110897379 369999568 /nfs/dbraw/zinc/99/95/68/369999568.db2.gz HCYMKIWWOAODAV-YNEHKIRRSA-N 1 0 222.332 2.037 10 30 BEEERO N#Cc1cc(F)ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000111027294 370046945 /nfs/dbraw/zinc/04/69/45/370046945.db2.gz BGEVTYWIYMGEBB-LBPRGKRZSA-N 1 0 233.290 2.251 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251902702 369980557 /nfs/dbraw/zinc/98/05/57/369980557.db2.gz WNSIQDTVJRUVSS-KBPBESRZSA-N 1 0 247.386 2.239 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000309534739 370224701 /nfs/dbraw/zinc/22/47/01/370224701.db2.gz DWISNOANPZSJDN-XQQFMLRXSA-N 1 0 222.332 2.227 10 30 BEEERO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@@H](O)C1 ZINC000309721120 370249877 /nfs/dbraw/zinc/24/98/77/370249877.db2.gz BTXVLHHAZDSBRA-JHJVBQTASA-N 1 0 224.348 2.019 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000378736486 371016745 /nfs/dbraw/zinc/01/67/45/371016745.db2.gz GREHVOAUHUEGLT-FRRDWIJNSA-N 1 0 222.332 2.083 10 30 BEEERO CC[N@@H+](Cc1ccc(C#N)o1)CC1CC1 ZINC000125642453 371368749 /nfs/dbraw/zinc/36/87/49/371368749.db2.gz RDBMXEBBRHRMBC-UHFFFAOYSA-N 1 0 204.273 2.383 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000162462267 371691671 /nfs/dbraw/zinc/69/16/71/371691671.db2.gz XAVGQCPEXGEIHG-VXGBXAGGSA-N 1 0 224.373 2.411 10 30 BEEERO Nc1cc[nH+]cc1C1=CC(=O)CCCC1 ZINC000230163967 371864637 /nfs/dbraw/zinc/86/46/37/371864637.db2.gz GHYXYNKPYUPUDS-UHFFFAOYSA-N 1 0 202.257 2.190 10 30 BEEERO C#CC[C@H]([NH2+]C)c1ncccc1Br ZINC000133239861 372011018 /nfs/dbraw/zinc/01/10/18/372011018.db2.gz TYGGCRMBGUHLFX-VIFPVBQESA-N 1 0 239.116 2.128 10 30 BEEERO C=C[C@H]([NH3+])[C@H]1SCCS[C@H]1CC ZINC000228288413 372012257 /nfs/dbraw/zinc/01/22/57/372012257.db2.gz RQQOLNNHYLNKIA-XHNCKOQMSA-N 1 0 203.376 2.127 10 30 BEEERO C=C[C@H]([NH3+])c1ccoc1Br ZINC000229299180 372138279 /nfs/dbraw/zinc/13/82/79/372138279.db2.gz RVZXHOCRPGTGQD-LURJTMIESA-N 1 0 202.051 2.228 10 30 BEEERO CC[NH2+]CC#Cc1cscc1Br ZINC000229454629 372154332 /nfs/dbraw/zinc/15/43/32/372154332.db2.gz OCSUTQSFFNLUED-UHFFFAOYSA-N 1 0 244.157 2.472 10 30 BEEERO OCC#Cc1ccccc1C[NH+]1CCCCCC1 ZINC000049616132 183033691 /nfs/dbraw/zinc/03/36/91/183033691.db2.gz NYKJWHJGNCVIFG-UHFFFAOYSA-N 1 0 243.350 2.406 10 30 BEEERO CCC[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049617712 169080665 /nfs/dbraw/zinc/08/06/65/169080665.db2.gz KTNLYWKHWDVICU-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](CC[C@H](C#N)NC1CC1)CC1CC1 ZINC000062436771 169170809 /nfs/dbraw/zinc/17/08/09/169170809.db2.gz XDLSEQDALHXFHH-CQSZACIVSA-N 1 0 235.375 2.143 10 30 BEEERO CCC[NH+]1CCC(C#N)(N2CCCCC2)CC1 ZINC000037356929 169186352 /nfs/dbraw/zinc/18/63/52/169186352.db2.gz URFQPHAQOPRLEV-UHFFFAOYSA-N 1 0 235.375 2.240 10 30 BEEERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000076629101 169497883 /nfs/dbraw/zinc/49/78/83/169497883.db2.gz AXDPHKRRCKJLML-GFCCVEGCSA-N 1 0 245.326 2.262 10 30 BEEERO C[C@H]([NH3+])c1cc(Cl)ccc1OCC#N ZINC000050209370 383969037 /nfs/dbraw/zinc/96/90/37/383969037.db2.gz JXBIKJXNMOSWAB-ZETCQYMHSA-N 1 0 210.664 2.262 10 30 BEEERO O=C1CCCC2=C1C[C@H]1CCC[NH2+][C@H]1C2 ZINC000091306023 384118897 /nfs/dbraw/zinc/11/88/97/384118897.db2.gz NMGHGESTNHOUEE-PWSUYJOCSA-N 1 0 205.301 2.198 10 30 BEEERO Cc1cc(NC[C@H]2CCCOC2)c(C#N)c(C)n1 ZINC000157421963 384448782 /nfs/dbraw/zinc/44/87/82/384448782.db2.gz HFHGZHWNYABSIS-GFCCVEGCSA-N 1 0 245.326 2.409 10 30 BEEERO C#CCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000229820455 384433186 /nfs/dbraw/zinc/43/31/86/384433186.db2.gz UVZGZMFDYFJPFA-CYBMUJFWSA-N 1 0 215.296 2.383 10 30 BEEERO C=CCCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000117876759 384609278 /nfs/dbraw/zinc/60/92/78/384609278.db2.gz HXKIZMSNKKPEOJ-UHFFFAOYSA-N 1 0 221.348 2.435 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379887901 384800466 /nfs/dbraw/zinc/80/04/66/384800466.db2.gz YLYRRXUOPQTLTM-OLZOCXBDSA-N 1 0 220.316 2.005 10 30 BEEERO N#Cc1ccc([C@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536955350 384804729 /nfs/dbraw/zinc/80/47/29/384804729.db2.gz XMSBJRMTYANAAG-AWEZNQCLSA-N 1 0 244.338 2.153 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000364851940 385527958 /nfs/dbraw/zinc/52/79/58/385527958.db2.gz PPWWLEPWRQKNJS-LBPRGKRZSA-N 1 0 224.348 2.021 10 30 BEEERO C[C@@H](C[NH3+])Nc1ccc(C#N)cc1C(F)(F)F ZINC000235108207 259671932 /nfs/dbraw/zinc/67/19/32/259671932.db2.gz RWRSQFPVRQCZOM-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000309448420 385589006 /nfs/dbraw/zinc/58/90/06/385589006.db2.gz LXAYDMDGRQWWNJ-NDBYEHHHSA-N 1 0 222.332 2.083 10 30 BEEERO Cc1cnc([C@H](C)[NH2+]CCCSCC#N)o1 ZINC000336679289 385622313 /nfs/dbraw/zinc/62/23/13/385622313.db2.gz AHZYAOLELYZPML-JTQLQIEISA-N 1 0 239.344 2.281 10 30 BEEERO O=[N+]([O-])c1ccc(/C=N/[C@@H]2CCCC[NH2+]C2)cc1 ZINC000263616454 386152172 /nfs/dbraw/zinc/15/21/72/386152172.db2.gz ITYOTPGFVBEWCZ-KMHUVPDISA-N 1 0 247.298 2.156 10 30 BEEERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000425343537 386856125 /nfs/dbraw/zinc/85/61/25/386856125.db2.gz RZNAEZNUJBMYTM-VPOLOUISSA-N 1 0 210.346 2.162 10 30 BEEERO [NH3+]CC#Cc1csc(C(F)(F)F)c1 ZINC000575574884 386978280 /nfs/dbraw/zinc/97/82/80/386978280.db2.gz AHZDTPKWTMNOQW-UHFFFAOYSA-N 1 0 205.204 2.077 10 30 BEEERO Cc1cc(C#N)cc(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000161740731 386984105 /nfs/dbraw/zinc/98/41/05/386984105.db2.gz ULOTYQQDUDWYFB-LBPRGKRZSA-N 1 0 244.342 2.063 10 30 BEEERO C#C[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000575467595 387077534 /nfs/dbraw/zinc/07/75/34/387077534.db2.gz QLBJRBRBHNVVNS-SECBINFHSA-N 1 0 242.091 2.091 10 30 BEEERO Cc1cc(C#N)ccc1CN1[C@@H](C)COC[C@@H]1C ZINC000186239031 387534593 /nfs/dbraw/zinc/53/45/93/387534593.db2.gz HLMPTPHADMZTBW-STQMWFEESA-N 1 0 244.338 2.476 10 30 BEEERO C=CCOc1ccccc1C[NH2+]C[C@@H](C)N(C)C ZINC000038087540 387573382 /nfs/dbraw/zinc/57/33/82/387573382.db2.gz GXPNCZCHDZTCHN-CYBMUJFWSA-N 1 0 248.370 2.291 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171645008 387828045 /nfs/dbraw/zinc/82/80/45/387828045.db2.gz HTFZDCVTBXHTRN-ZDUSSCGKSA-N 1 0 231.343 2.392 10 30 BEEERO C=CCC(CC=C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177101873 387915333 /nfs/dbraw/zinc/91/53/33/387915333.db2.gz BBWPLLGMEROGGQ-AWEZNQCLSA-N 1 0 248.370 2.061 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000038050797 177837548 /nfs/dbraw/zinc/83/75/48/177837548.db2.gz OMAVEGCDDWXURA-OLZOCXBDSA-N 1 0 244.342 2.252 10 30 BEEERO C=CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515948 388165868 /nfs/dbraw/zinc/16/58/68/388165868.db2.gz GGNDUPICOHFHTF-GFCCVEGCSA-N 1 0 217.316 2.001 10 30 BEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)cc1F ZINC000111830448 388661374 /nfs/dbraw/zinc/66/13/74/388661374.db2.gz ZRFHFWNOCYMNDS-NSHDSACASA-N 1 0 235.306 2.483 10 30 BEEERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249036288 388704938 /nfs/dbraw/zinc/70/49/38/388704938.db2.gz SSCKGVQSOKTNKF-IHRRRGAJSA-N 1 0 235.375 2.143 10 30 BEEERO C=CC[NH2+]CCN1C[C@@H](C)Cc2ccccc21 ZINC000104002596 132243467 /nfs/dbraw/zinc/24/34/67/132243467.db2.gz WKEOWFSUVBXYKU-ZDUSSCGKSA-N 1 0 230.355 2.461 10 30 BEEERO C=C(C)COCC[NH2+]Cc1cccn1CC ZINC000168612045 134231956 /nfs/dbraw/zinc/23/19/56/134231956.db2.gz FSXDQSGRTGGXOI-UHFFFAOYSA-N 1 0 222.332 2.190 10 30 BEEERO CC[NH+](CC)CCCN[C@H]1CCC[C@@H]1C#N ZINC000054824024 134772519 /nfs/dbraw/zinc/77/25/19/134772519.db2.gz CINJQOJLKPJZCK-OLZOCXBDSA-N 1 0 223.364 2.000 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000250640699 135057440 /nfs/dbraw/zinc/05/74/40/135057440.db2.gz HCVQZWHJCKZIKI-DCAQKATOSA-N 1 0 210.346 2.164 10 30 BEEERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000251380239 135071394 /nfs/dbraw/zinc/07/13/94/135071394.db2.gz ZBMNHGFFQXKJTL-MQYQWHSLSA-N 1 0 236.359 2.472 10 30 BEEERO CC(C)C1([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000339510616 135074967 /nfs/dbraw/zinc/07/49/67/135074967.db2.gz VUCWIOGSOXLIQH-NSHDSACASA-N 1 0 205.305 2.208 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000252694264 135094624 /nfs/dbraw/zinc/09/46/24/135094624.db2.gz ZLWFFQIGVYOLMX-KBPBESRZSA-N 1 0 249.402 2.485 10 30 BEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(C)(C)C#N ZINC000252692988 135096985 /nfs/dbraw/zinc/09/69/85/135096985.db2.gz FJJJFRCZFVYMEU-STQMWFEESA-N 1 0 235.375 2.095 10 30 BEEERO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090272 135119918 /nfs/dbraw/zinc/11/99/18/135119918.db2.gz HXAJXWSGNPOTHH-MGPQQGTHSA-N 1 0 221.344 2.025 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](CC(C)C)C1 ZINC000262432908 135297170 /nfs/dbraw/zinc/29/71/70/135297170.db2.gz FRRUAMFACJBJQY-RWMBFGLXSA-N 1 0 237.391 2.338 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccc(F)cc1 ZINC000262593031 135308131 /nfs/dbraw/zinc/30/81/31/135308131.db2.gz VOMOZONTJJZBJG-ZWNOBZJWSA-N 1 0 249.333 2.241 10 30 BEEERO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccccc1COC ZINC000262791372 135318311 /nfs/dbraw/zinc/31/83/11/135318311.db2.gz KVHJWPRZLXSBSZ-ZWNOBZJWSA-N 1 0 247.342 2.358 10 30 BEEERO CN1CC[NH+]=C1NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000263203605 135339217 /nfs/dbraw/zinc/33/92/17/135339217.db2.gz XULADEDYESQWND-STQMWFEESA-N 1 0 235.375 2.094 10 30 BEEERO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@H]2C2CCCCC2)N1 ZINC000263201638 135339407 /nfs/dbraw/zinc/33/94/07/135339407.db2.gz XKPNMBRKYHAUTR-WXHSDQCUSA-N 1 0 235.375 2.140 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)NC1CCCCC1 ZINC000263248583 135342501 /nfs/dbraw/zinc/34/25/01/135342501.db2.gz NXFWDHTTZURHOE-LLVKDONJSA-N 1 0 223.364 2.283 10 30 BEEERO N#Cc1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000334996838 135861494 /nfs/dbraw/zinc/86/14/94/135861494.db2.gz WDQQCAVTOZCPGR-OAHLLOKOSA-N 1 0 241.338 2.138 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336792301 397951289 /nfs/dbraw/zinc/95/12/89/397951289.db2.gz RJWUJRHNYQTNOJ-VIFPVBQESA-N 1 0 248.286 2.006 10 30 BEEERO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891095 398107899 /nfs/dbraw/zinc/10/78/99/398107899.db2.gz HIXSZBURWSHQLG-TZMCWYRMSA-N 1 0 235.375 2.141 10 30 BEEERO C=CCCCN(C)C(=O)[C@H](CCC)[NH+](C)C ZINC000162159086 398132186 /nfs/dbraw/zinc/13/21/86/398132186.db2.gz GQYJIBSEORSLGX-LBPRGKRZSA-N 1 0 226.364 2.141 10 30 BEEERO C#CCNC[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492361 166187557 /nfs/dbraw/zinc/18/75/57/166187557.db2.gz OFJDOWAQUSTCNT-QLFBSQMISA-N 1 0 234.387 2.110 10 30 BEEERO C#CC[NH2+]CCOc1ccccc1OCCC ZINC000053568080 166187612 /nfs/dbraw/zinc/18/76/12/166187612.db2.gz ANAQUOYNRQHASP-UHFFFAOYSA-N 1 0 233.311 2.077 10 30 BEEERO C=CCC[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1 ZINC000157800226 166296014 /nfs/dbraw/zinc/29/60/14/166296014.db2.gz HWWMQXLPIUHPDK-WCQYABFASA-N 1 0 232.327 2.157 10 30 BEEERO C=CCN(C(=O)C[NH2+][C@H](C)CC)C1CCCC1 ZINC000037817691 166309366 /nfs/dbraw/zinc/30/93/66/166309366.db2.gz NYUDCPGCPPWPRP-GFCCVEGCSA-N 1 0 238.375 2.332 10 30 BEEERO C=CCN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119341605 166354893 /nfs/dbraw/zinc/35/48/93/166354893.db2.gz OANOUVHJGXTDJO-CQSZACIVSA-N 1 0 233.311 2.255 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CC ZINC000042579782 166388760 /nfs/dbraw/zinc/38/87/60/166388760.db2.gz FNPUPGSPSJBIDP-YNEHKIRRSA-N 1 0 238.375 2.236 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc(F)c(F)c1 ZINC000049820742 166398668 /nfs/dbraw/zinc/39/86/68/166398668.db2.gz LFNBXUSBFFUAKP-LBPRGKRZSA-N 1 0 227.254 2.164 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc(F)cc1 ZINC000049814527 166399868 /nfs/dbraw/zinc/39/98/68/166399868.db2.gz RSWHTJDPAASXNU-LBPRGKRZSA-N 1 0 209.264 2.025 10 30 BEEERO CC(C)(C)NC(=[NH+]N)[C@H]1CCOc2ccccc21 ZINC000104186636 166609384 /nfs/dbraw/zinc/60/93/84/166609384.db2.gz YPFLVRXWPUGZMI-NSHDSACASA-N 1 0 247.342 2.213 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104423761 167141921 /nfs/dbraw/zinc/14/19/21/167141921.db2.gz FZKSMNZXLUDUET-IHRRRGAJSA-N 1 0 237.391 2.245 10 30 BEEERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000127334201 169798707 /nfs/dbraw/zinc/79/87/07/169798707.db2.gz REKMJQSBTZBGLM-GFCCVEGCSA-N 1 0 247.342 2.067 10 30 BEEERO CCN(c1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000104334224 169943999 /nfs/dbraw/zinc/94/39/99/169943999.db2.gz IHLNEZIKQUHIMB-CYBMUJFWSA-N 1 0 229.327 2.137 10 30 BEEERO CC[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095091514 170168928 /nfs/dbraw/zinc/16/89/28/170168928.db2.gz PCLWSIIGZPVSTC-CABCVRRESA-N 1 0 244.338 2.115 10 30 BEEERO CCOC1CC[NH+](CC(C=O)(CC)CC)CC1 ZINC000051177600 170332766 /nfs/dbraw/zinc/33/27/66/170332766.db2.gz STQKGLBXYXEHNU-UHFFFAOYSA-N 1 0 241.375 2.493 10 30 BEEERO CCOCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127408418 170414965 /nfs/dbraw/zinc/41/49/65/170414965.db2.gz DMLJZHZLLUCJGQ-SECBINFHSA-N 1 0 224.329 2.307 10 30 BEEERO CC[C@@H](CCC[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000076629221 170815880 /nfs/dbraw/zinc/81/58/80/170815880.db2.gz PVLGBEIKRDYMPB-LBPRGKRZSA-N 1 0 245.326 2.262 10 30 BEEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CCO)C(C)C)C1 ZINC000042479176 171046291 /nfs/dbraw/zinc/04/62/91/171046291.db2.gz WUSOBENGHMIFGM-MGPQQGTHSA-N 1 0 238.375 2.408 10 30 BEEERO CC[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)CC[N@@H+]1C ZINC000104135912 171094473 /nfs/dbraw/zinc/09/44/73/171094473.db2.gz PXDJLNFXFUFRCF-MGPQQGTHSA-N 1 0 235.375 2.095 10 30 BEEERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000123369751 171178627 /nfs/dbraw/zinc/17/86/27/171178627.db2.gz PGJIFPNRUYIGHJ-CQSZACIVSA-N 1 0 232.327 2.151 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000662953368 412353628 /nfs/dbraw/zinc/35/36/28/412353628.db2.gz NEDFNWBISNGICE-VXGBXAGGSA-N 1 0 238.375 2.236 10 30 BEEERO C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000075906147 173000699 /nfs/dbraw/zinc/00/06/99/173000699.db2.gz HWXNXYAUOPBIRP-UHFFFAOYSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@@]2(CCN(CC3(C#N)CCC3)C2)C1 ZINC000336264825 173037988 /nfs/dbraw/zinc/03/79/88/173037988.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 1 0 247.386 2.098 10 30 BEEERO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042518260 174284997 /nfs/dbraw/zinc/28/49/97/174284997.db2.gz JWCNEHBXMSUBNN-MBNYWOFBSA-N 1 0 236.359 2.426 10 30 BEEERO COCCN(CCC#N)c1ccccc1[C@@H](C)[NH3+] ZINC000071225923 174290064 /nfs/dbraw/zinc/29/00/64/174290064.db2.gz OKVKFIRFWFVFMU-GFCCVEGCSA-N 1 0 247.342 2.073 10 30 BEEERO COCC[N@H+](CCCCC#N)[C@H](C)C1CC1 ZINC000042616507 174291085 /nfs/dbraw/zinc/29/10/85/174291085.db2.gz JLZRSSFSUVAXIG-GFCCVEGCSA-N 1 0 224.348 2.427 10 30 BEEERO COCC[NH2+]Cc1ccc(OCCCC#N)cc1 ZINC000062729107 174335830 /nfs/dbraw/zinc/33/58/30/174335830.db2.gz LOPKDSPPUJTJJF-UHFFFAOYSA-N 1 0 248.326 2.105 10 30 BEEERO COc1ccc(CC[NH2+]CCCC#N)cc1 ZINC000020044642 175091970 /nfs/dbraw/zinc/09/19/70/175091970.db2.gz JFHDRGOKNAQJCC-UHFFFAOYSA-N 1 0 218.300 2.131 10 30 BEEERO COc1cccc(NC2(C#N)CC[NH+](C)CC2)c1 ZINC000037937799 175278249 /nfs/dbraw/zinc/27/82/49/175278249.db2.gz KPJSYHFJORHLQY-UHFFFAOYSA-N 1 0 245.326 2.095 10 30 BEEERO COc1ccccc1C[N@@H+]1CCC[C@H](C=O)C1 ZINC000054218169 175327532 /nfs/dbraw/zinc/32/75/32/175327532.db2.gz CXCZWLXBPCEJNR-LBPRGKRZSA-N 1 0 233.311 2.106 10 30 BEEERO C[C@@H](S)[C@@H]1[NH2+]CCc2c(F)cccc21 ZINC000083665042 176007577 /nfs/dbraw/zinc/00/75/77/176007577.db2.gz LNJSLHHPXDFKOM-HQJQHLMTSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615718 176073266 /nfs/dbraw/zinc/07/32/66/176073266.db2.gz AKITZBUVWMQLCN-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2cccc(/C(N)=N/O)c2)C1 ZINC000019425659 176101383 /nfs/dbraw/zinc/10/13/83/176101383.db2.gz ULLZXVUKQREHSV-LLVKDONJSA-N 1 0 247.342 2.013 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(F)cc1C#N ZINC000335656499 176185149 /nfs/dbraw/zinc/18/51/49/176185149.db2.gz KHWDOQFLKZNWRT-RNCFNFMXSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CCCO[C@H](C)C2)C1 ZINC000061918400 176218711 /nfs/dbraw/zinc/21/87/11/176218711.db2.gz VSSZAJRXYMUNNG-AAVRWANBSA-N 1 0 236.359 2.426 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000123996611 176318920 /nfs/dbraw/zinc/31/89/20/176318920.db2.gz HXFMUVHCIJRXQU-YGRLFVJLSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]([NH3+])c1ccc(N(C)CCC#N)cc1 ZINC000019872585 176776817 /nfs/dbraw/zinc/77/68/17/176776817.db2.gz WLSGAXRCXVQNOJ-JTQLQIEISA-N 1 0 203.289 2.056 10 30 BEEERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000052288158 177349971 /nfs/dbraw/zinc/34/99/71/177349971.db2.gz GARGIXJHYVRCAK-UFBFGSQYSA-N 1 0 204.248 2.195 10 30 BEEERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)cc(C#N)n1 ZINC000308246754 229422704 /nfs/dbraw/zinc/42/27/04/229422704.db2.gz ZCUHCNKZVSHBQU-GFCCVEGCSA-N 1 0 232.331 2.047 10 30 BEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129604 267222766 /nfs/dbraw/zinc/22/27/66/267222766.db2.gz SJGIEWRAHOGAQB-GXFFZTMASA-N 1 0 248.301 2.043 10 30 BEEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129602 267223911 /nfs/dbraw/zinc/22/39/11/267223911.db2.gz SJGIEWRAHOGAQB-GWCFXTLKSA-N 1 0 248.301 2.043 10 30 BEEERO C=CCCCN(C)C(=O)[C@@H](CCC)[NH+](C)C ZINC000162159212 323598121 /nfs/dbraw/zinc/59/81/21/323598121.db2.gz GQYJIBSEORSLGX-GFCCVEGCSA-N 1 0 226.364 2.141 10 30 BEEERO CC1(C)C[NH2+]C[C@H]1c1cccc(C#N)c1 ZINC000536950567 323954598 /nfs/dbraw/zinc/95/45/98/323954598.db2.gz JABOKTZPXOPAML-LBPRGKRZSA-N 1 0 200.285 2.271 10 30 BEEERO N#Cc1ccccc1[C@@H](C[NH3+])C1(CO)CCCC1 ZINC000536953193 323960447 /nfs/dbraw/zinc/96/04/47/323960447.db2.gz HQEFYNSEVVFQSF-CQSZACIVSA-N 1 0 244.338 2.153 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000249032841 325633665 /nfs/dbraw/zinc/63/36/65/325633665.db2.gz RPBQNNDCSMOGOH-RFGFWPKPSA-N 1 0 236.359 2.209 10 30 BEEERO C=C(C[NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000132311046 491135265 /nfs/dbraw/zinc/13/52/65/491135265.db2.gz XOMCETYBSSJQSS-AWEZNQCLSA-N 1 0 217.312 2.468 10 30 BEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689982 534355029 /nfs/dbraw/zinc/35/50/29/534355029.db2.gz QWYJXONAADFDEI-FPYNETTCSA-N 1 0 209.333 2.069 10 30 BEEERO C=CCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175265921 534651266 /nfs/dbraw/zinc/65/12/66/534651266.db2.gz UXEKSFINTQNXKK-CYBMUJFWSA-N 1 0 236.359 2.039 10 30 BEEERO C=CCCC[N@@H+](C)Cc1ccnn1CC ZINC000128883619 534710263 /nfs/dbraw/zinc/71/02/63/534710263.db2.gz NDCJKXPPLHKFGI-UHFFFAOYSA-N 1 0 207.321 2.301 10 30 BEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000121158816 534713447 /nfs/dbraw/zinc/71/34/47/534713447.db2.gz KEXYIJOJSILCAW-CYBMUJFWSA-N 1 0 240.391 2.435 10 30 BEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N(CC)CC ZINC000121159143 534714380 /nfs/dbraw/zinc/71/43/80/534714380.db2.gz PTKFJKASLFYGOV-GFCCVEGCSA-N 1 0 226.364 2.141 10 30 BEEERO C=CCCC[C@H](C)NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000236902072 534759122 /nfs/dbraw/zinc/75/91/22/534759122.db2.gz KRRRRTBRGJRTRQ-SRVKXCTJSA-N 1 0 226.364 2.221 10 30 BEEERO CC[NH+]=C(NCC1CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261681437 535260574 /nfs/dbraw/zinc/26/05/74/535260574.db2.gz HORSKVBHUNUSII-OKILXGFUSA-N 1 0 249.402 2.484 10 30 BEEERO CC[NH+]=C(NCC1(C)CC1)N[C@H](C)C(C)C ZINC000262454622 535260776 /nfs/dbraw/zinc/26/07/76/535260776.db2.gz WOCNESNKLOFCSP-LLVKDONJSA-N 1 0 225.380 2.386 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCc2ccccc21 ZINC000263235070 535265304 /nfs/dbraw/zinc/26/53/04/535265304.db2.gz JGZKTCLLUOIBDL-DGCLKSJQSA-N 1 0 243.354 2.423 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000262530319 535265626 /nfs/dbraw/zinc/26/56/26/535265626.db2.gz HXUNCTFGDBTJQB-GRYCIOLGSA-N 1 0 223.364 2.092 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCc2ccccc21 ZINC000263235071 535265698 /nfs/dbraw/zinc/26/56/98/535265698.db2.gz JGZKTCLLUOIBDL-WCQYABFASA-N 1 0 243.354 2.423 10 30 BEEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])NC1CCC1 ZINC000263083108 535884931 /nfs/dbraw/zinc/88/49/31/535884931.db2.gz HYBJEWKNOALEKW-WCQYABFASA-N 1 0 223.364 2.268 10 30 BEEERO CN1CCC[NH+]=C1NCC1(C(F)(F)F)CCC1 ZINC000263193304 536361192 /nfs/dbraw/zinc/36/11/92/536361192.db2.gz WCFUENHXTIJKOP-UHFFFAOYSA-N 1 0 249.280 2.000 10 30 BEEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C#N)c(Cl)c1 ZINC000215715838 585025393 /nfs/dbraw/zinc/02/53/93/585025393.db2.gz BMZIYUPXSKRJFE-PRHODGIISA-N 1 0 235.718 2.138 10 30 BEEERO CCCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000104056342 587929760 /nfs/dbraw/zinc/92/97/60/587929760.db2.gz IHVSPBBXFANZQN-CHWSQXEVSA-N 1 0 240.391 2.461 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCC1 ZINC000119405459 589281608 /nfs/dbraw/zinc/28/16/08/589281608.db2.gz LGGHAVDNAOUHTK-LBPRGKRZSA-N 1 0 237.343 2.063 10 30 BEEERO CCCCCCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133648127 591845168 /nfs/dbraw/zinc/84/51/68/591845168.db2.gz NGTWOKFCXYMHPQ-GFCCVEGCSA-N 1 0 226.364 2.073 10 30 BEEERO C#CCCCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000300409568 592511620 /nfs/dbraw/zinc/51/16/20/592511620.db2.gz IUDMLGQUSYOAIU-HUUCEWRRSA-N 1 0 234.387 2.349 10 30 BEEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccnc(C#N)c1 ZINC000061812050 631260669 /nfs/dbraw/zinc/26/06/69/631260669.db2.gz DCJAHOBOUJZTPP-AWEZNQCLSA-N 1 0 246.358 2.341 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]CC[C@H]1CCCO1 ZINC000051814226 631936063 /nfs/dbraw/zinc/93/60/63/631936063.db2.gz JAJOPRQEAAFKGB-OAHLLOKOSA-N 1 0 229.323 2.197 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336720770 635256139 /nfs/dbraw/zinc/25/61/39/635256139.db2.gz CZBWKWGLFAHUBG-RNJOBUHISA-N 1 0 204.317 2.457 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000054825065 640411088 /nfs/dbraw/zinc/41/10/88/640411088.db2.gz JGGFDLRRNFQCFV-MGPQQGTHSA-N 1 0 230.311 2.002 10 30 BEEERO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061891586 641005324 /nfs/dbraw/zinc/00/53/24/641005324.db2.gz PHGVDQAITQYFQP-ZWNOBZJWSA-N 1 0 246.310 2.183 10 30 BEEERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1O ZINC000158762775 641649664 /nfs/dbraw/zinc/64/96/64/641649664.db2.gz JBAYUSUQCVEVKZ-DGCLKSJQSA-N 1 0 230.311 2.483 10 30 BEEERO CCCCCCCC(=O)NC[C@H](C)[NH2+]C ZINC000232928750 642443301 /nfs/dbraw/zinc/44/33/01/642443301.db2.gz WUOKAEVXPZMMFN-NSHDSACASA-N 1 0 214.353 2.071 10 30 BEEERO CCC[NH2+]CCNc1nc(Cl)c(C#N)s1 ZINC000233095247 642652127 /nfs/dbraw/zinc/65/21/27/642652127.db2.gz ANTIGPUEUHEGOU-UHFFFAOYSA-N 1 0 244.751 2.080 10 30 BEEERO C#CCC[NH2+]Cc1ccccc1OCC=C ZINC000069768358 642902795 /nfs/dbraw/zinc/90/27/95/642902795.db2.gz GGRFVQMKWIYVFD-UHFFFAOYSA-N 1 0 215.296 2.364 10 30 BEEERO C#CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000070191105 642988571 /nfs/dbraw/zinc/98/85/71/642988571.db2.gz YDDBMGBHCUMCRA-UHFFFAOYSA-N 1 0 203.329 2.424 10 30 BEEERO C#CCC[NH2+]Cc1nc2ccccc2n1CC ZINC000070245245 643006298 /nfs/dbraw/zinc/00/62/98/643006298.db2.gz NCOZTFGKDIEOBE-UHFFFAOYSA-N 1 0 227.311 2.169 10 30 BEEERO CS[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000122041786 711603901 /nfs/dbraw/zinc/60/39/01/711603901.db2.gz OEOYPNAORGGDRQ-GFCCVEGCSA-N 1 0 219.353 2.379 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000721982399 711857443 /nfs/dbraw/zinc/85/74/43/711857443.db2.gz KUQAPCCCPGPNSH-PRHODGIISA-N 1 0 235.718 2.231 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)OC1 ZINC000711378029 712296359 /nfs/dbraw/zinc/29/63/59/712296359.db2.gz OXHGFLNJBXEQLY-YNEHKIRRSA-N 1 0 236.359 2.473 10 30 BEEERO C=CC[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000380070722 712685003 /nfs/dbraw/zinc/68/50/03/712685003.db2.gz DEKFSWCHPFMZHZ-YPMHNXCESA-N 1 0 205.301 2.274 10 30 BEEERO Cc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1C#N ZINC000701872817 712030536 /nfs/dbraw/zinc/03/05/36/712030536.db2.gz YGFUTFSXKAWBNM-CQSZACIVSA-N 1 0 246.354 2.363 10 30 BEEERO COC1CC(C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000705490190 712132032 /nfs/dbraw/zinc/13/20/32/712132032.db2.gz PCUTYSKNEQUWQP-POOIEITISA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709932253 712233703 /nfs/dbraw/zinc/23/37/03/712233703.db2.gz IJPCFDPJLJTRIT-CMPLNLGQSA-N 1 0 235.356 2.358 10 30 BEEERO Cc1ccnc(N(C)CCCCCC[NH3+])c1C#N ZINC000710805861 712257281 /nfs/dbraw/zinc/25/72/81/712257281.db2.gz WUSAGQOOJSICQR-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO Cc1ccc(C#N)c(N(C)CCCCCC[NH3+])n1 ZINC000710805155 712257617 /nfs/dbraw/zinc/25/76/17/712257617.db2.gz QUTQIOYJYPDPMD-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711401911 712297984 /nfs/dbraw/zinc/29/79/84/712297984.db2.gz XEHCXFIMEJSSAU-AVGNSLFASA-N 1 0 234.343 2.370 10 30 BEEERO CN(c1ccc(C#N)nc1)C1(C[NH3+])CCCCC1 ZINC000713298896 712458802 /nfs/dbraw/zinc/45/88/02/712458802.db2.gz QWZBFHGNKVXWKU-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO COCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000713935755 712474212 /nfs/dbraw/zinc/47/42/12/712474212.db2.gz PLAFELJLUFXYJC-UHFFFAOYSA-N 1 0 230.311 2.073 10 30 BEEERO COCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC000713984828 712476143 /nfs/dbraw/zinc/47/61/43/712476143.db2.gz WQWJSVOQARIAGK-UHFFFAOYSA-N 1 0 229.323 2.053 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250808047 712834552 /nfs/dbraw/zinc/83/45/52/712834552.db2.gz JGGFDLRRNFQCFV-MJBXVCDLSA-N 1 0 230.311 2.002 10 30 BEEERO C[N@H+](CCCCC#N)Cc1ccccn1 ZINC000049579395 1171707743 /nfs/dbraw/zinc/70/77/43/1171707743.db2.gz XCROUZBOYXGTNN-UHFFFAOYSA-N 1 0 203.289 2.207 10 30 BEEERO C=C(COC(C)C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960436 538907589 /nfs/dbraw/zinc/90/75/89/538907589.db2.gz LPNANOUOLCXDFF-UHFFFAOYSA-N 1 0 247.338 2.327 10 30 BEEERO Cc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1C#N ZINC000335604333 178041011 /nfs/dbraw/zinc/04/10/11/178041011.db2.gz XCCDIECTTIJNDV-GWCFXTLKSA-N 1 0 200.285 2.365 10 30 BEEERO C=CCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000308785254 136216553 /nfs/dbraw/zinc/21/65/53/136216553.db2.gz FNFLWWVQVQAUKQ-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000308850085 136216627 /nfs/dbraw/zinc/21/66/27/136216627.db2.gz NWUUNVJQKZNWSV-UTUOFQBUSA-N 1 0 210.321 2.082 10 30 BEEERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000308850083 136216664 /nfs/dbraw/zinc/21/66/64/136216664.db2.gz NWUUNVJQKZNWSV-GRYCIOLGSA-N 1 0 210.321 2.082 10 30 BEEERO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)c(C#N)cn1 ZINC000398999704 398247836 /nfs/dbraw/zinc/24/78/36/398247836.db2.gz RMUBFKCFTLOQKD-ZDUSSCGKSA-N 1 0 246.358 2.071 10 30 BEEERO Cc1ccc(C#N)cc1N[C@@H]1CCC[NH2+]C1 ZINC000050430057 178367935 /nfs/dbraw/zinc/36/79/35/178367935.db2.gz YOEHXTNRXAQGQX-GFCCVEGCSA-N 1 0 215.300 2.031 10 30 BEEERO C#CC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000051074682 346830673 /nfs/dbraw/zinc/83/06/73/346830673.db2.gz WDYKYPKMJNFFJU-SNVBAGLBSA-N 1 0 224.101 2.472 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000320024851 342732455 /nfs/dbraw/zinc/73/24/55/342732455.db2.gz KJPJXBVRTIDBRF-IUCAKERBSA-N 1 0 248.286 2.004 10 30 BEEERO N#CC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000147114493 342774025 /nfs/dbraw/zinc/77/40/25/342774025.db2.gz MVDAHCBOHFCYFL-UHFFFAOYSA-N 1 0 225.295 2.316 10 30 BEEERO CCC#C[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000381368565 538999189 /nfs/dbraw/zinc/99/91/89/538999189.db2.gz GWSRHGSHPJIWEW-OCCSQVGLSA-N 1 0 217.312 2.112 10 30 BEEERO CCNC(=[NH2+])c1cccc(Br)c1 ZINC000059925485 342875828 /nfs/dbraw/zinc/87/58/28/342875828.db2.gz FUOPJTJOKFSLOC-UHFFFAOYSA-N 1 0 227.105 2.174 10 30 BEEERO C#Cc1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000116472850 342927251 /nfs/dbraw/zinc/92/72/51/342927251.db2.gz YUMBULSFBAGLKM-OAHLLOKOSA-N 1 0 227.307 2.141 10 30 BEEERO C#Cc1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000116472852 342927407 /nfs/dbraw/zinc/92/74/07/342927407.db2.gz YUMBULSFBAGLKM-HNNXBMFYSA-N 1 0 227.307 2.141 10 30 BEEERO C[NH2+][C@H](C)CNc1cccc(Cl)c1C#N ZINC000308810494 346921918 /nfs/dbraw/zinc/92/19/18/346921918.db2.gz QAHORKLDBRXONU-MRVPVSSYSA-N 1 0 223.707 2.231 10 30 BEEERO Cc1nc(N[C@@H](C)[C@@H](C)[NH3+])c(Cl)cc1C#N ZINC000394454310 259354816 /nfs/dbraw/zinc/35/48/16/259354816.db2.gz QOBGIQNYIHTLTK-RQJHMYQMSA-N 1 0 238.722 2.063 10 30 BEEERO Cc1ccc[n+](NC(=O)c2ccccc2)c1 ZINC000032172267 343230578 /nfs/dbraw/zinc/23/05/78/343230578.db2.gz ATIJPTQIGLDNIQ-UHFFFAOYSA-O 1 0 213.260 2.050 10 30 BEEERO N#Cc1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000150237615 343478336 /nfs/dbraw/zinc/47/83/36/343478336.db2.gz BLNCIHZAFFHIMY-LBPRGKRZSA-N 1 0 200.285 2.415 10 30 BEEERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCC(C)(C)C#N ZINC000602930163 349822363 /nfs/dbraw/zinc/82/23/63/349822363.db2.gz IPZABCPTKLPBMW-VXGBXAGGSA-N 1 0 224.348 2.162 10 30 BEEERO C#CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019875636 166191409 /nfs/dbraw/zinc/19/14/09/166191409.db2.gz GUJSMWVMZHZCQM-WDEREUQCSA-N 1 0 215.296 2.472 10 30 BEEERO CN(C)[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234241649 343747426 /nfs/dbraw/zinc/74/74/26/343747426.db2.gz IADZCWQGFQGTTF-CYBMUJFWSA-N 1 0 237.391 2.342 10 30 BEEERO CCC1(CC)CC[NH+]([C@@H](C)C/C(N)=N/O)CC1 ZINC000062954242 168459684 /nfs/dbraw/zinc/45/96/84/168459684.db2.gz HLKUTPROTBSKBP-NSHDSACASA-N 1 0 241.379 2.414 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000307279342 343923747 /nfs/dbraw/zinc/92/37/47/343923747.db2.gz WUJNKDFTOCWESD-AYMMMOKOSA-N 1 0 216.122 2.283 10 30 BEEERO C=C[C@H](C)Nc1cc(N)[nH+]cc1Br ZINC000307364626 343933111 /nfs/dbraw/zinc/93/31/11/343933111.db2.gz ITFKYFIHRQXTRI-LURJTMIESA-N 1 0 242.120 2.413 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CO1 ZINC000396473647 347022820 /nfs/dbraw/zinc/02/28/20/347022820.db2.gz PZVWXMFUVVPKDW-SRVKXCTJSA-N 1 0 222.332 2.226 10 30 BEEERO N#CCC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291226 344138641 /nfs/dbraw/zinc/13/86/41/344138641.db2.gz RIXRMAHQWJLROV-HIFRSBDPSA-N 1 0 248.370 2.307 10 30 BEEERO COCCCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000234629834 344157030 /nfs/dbraw/zinc/15/70/30/344157030.db2.gz WFSJQRVBXVGSGG-STQMWFEESA-N 1 0 224.348 2.475 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000082544518 344157166 /nfs/dbraw/zinc/15/71/66/344157166.db2.gz DYUWVUNSDMSZEN-STQMWFEESA-N 1 0 222.332 2.085 10 30 BEEERO C#CC[C@H]([NH3+])c1ccoc1Br ZINC000236305213 344354626 /nfs/dbraw/zinc/35/46/26/344354626.db2.gz NLXDVRPLYWXXFN-ZETCQYMHSA-N 1 0 214.062 2.065 10 30 BEEERO CC1(C)[C@@H]([NH2+]CCCCC#N)[C@@H]2CCO[C@@H]21 ZINC000132729877 344307253 /nfs/dbraw/zinc/30/72/53/344307253.db2.gz OCTFWMQYCQEFCA-SRVKXCTJSA-N 1 0 222.332 2.083 10 30 BEEERO CC[C@@H]1CN(c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251820879 344441104 /nfs/dbraw/zinc/44/11/04/344441104.db2.gz PFNUTQLTAJUJME-TZMCWYRMSA-N 1 0 229.327 2.122 10 30 BEEERO CCOCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054824276 344457736 /nfs/dbraw/zinc/45/77/36/344457736.db2.gz IBONAVDRNALSGN-RYUDHWBXSA-N 1 0 210.321 2.085 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825913 344472253 /nfs/dbraw/zinc/47/22/53/344472253.db2.gz GOLAIMCTPBTUOD-AVGNSLFASA-N 1 0 222.332 2.085 10 30 BEEERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)OC ZINC000381175115 344482436 /nfs/dbraw/zinc/48/24/36/344482436.db2.gz CYQYKVAZNGNWHR-CYDGBPFRSA-N 1 0 224.348 2.329 10 30 BEEERO C[C@@H](C#N)Oc1cccc(Cl)c1C[NH3+] ZINC000127456113 344541747 /nfs/dbraw/zinc/54/17/47/344541747.db2.gz OBMIWACDSGMWKG-ZETCQYMHSA-N 1 0 210.664 2.090 10 30 BEEERO CC[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000395702700 344555782 /nfs/dbraw/zinc/55/57/82/344555782.db2.gz BQMYMHDSUHGPJA-TZMCWYRMSA-N 1 0 235.375 2.143 10 30 BEEERO CC[NH+]1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 ZINC000395702697 344556204 /nfs/dbraw/zinc/55/62/04/344556204.db2.gz BQMYMHDSUHGPJA-GXTWGEPZSA-N 1 0 235.375 2.143 10 30 BEEERO Cc1cc(N2CCC3(CC3)C2)c(C#N)cn1 ZINC000400388227 344566460 /nfs/dbraw/zinc/56/64/60/344566460.db2.gz MICDCOIBXLLDFF-UHFFFAOYSA-N 1 0 213.284 2.252 10 30 BEEERO C#CC[N@@H+](C)Cc1cc2cc(OC)ccc2n1C ZINC000029414051 344601834 /nfs/dbraw/zinc/60/18/34/344601834.db2.gz VIQUFMLYRNORQX-UHFFFAOYSA-N 1 0 242.322 2.252 10 30 BEEERO C#CCC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000127894233 344677058 /nfs/dbraw/zinc/67/70/58/344677058.db2.gz FUHIOFQAKVKILW-SSDOTTSWSA-N 1 0 228.089 2.455 10 30 BEEERO N#CCCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107795984 347065875 /nfs/dbraw/zinc/06/58/75/347065875.db2.gz RQOJGHSCBMUHGX-AWEZNQCLSA-N 1 0 235.375 2.240 10 30 BEEERO C=C(Cl)C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235458512 344917639 /nfs/dbraw/zinc/91/76/39/344917639.db2.gz DTGOUJIIOPHCOR-SECBINFHSA-N 1 0 248.754 2.242 10 30 BEEERO C[C@H](C[NH+](C)C)Nc1nc(Cl)c(C#N)s1 ZINC000235452029 344918680 /nfs/dbraw/zinc/91/86/80/344918680.db2.gz CHJCJVMPZGYBJD-ZCFIWIBFSA-N 1 0 244.751 2.030 10 30 BEEERO C#C[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000166524636 344920389 /nfs/dbraw/zinc/92/03/89/344920389.db2.gz NADJRZOCBAYTOF-GXSJLCMTSA-N 1 0 203.310 2.445 10 30 BEEERO N#Cc1c(F)cccc1NCC1CC[NH2+]CC1 ZINC000044509184 345097845 /nfs/dbraw/zinc/09/78/45/345097845.db2.gz XRJSTLILTQRMOP-UHFFFAOYSA-N 1 0 233.290 2.109 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000306235821 345130373 /nfs/dbraw/zinc/13/03/73/345130373.db2.gz OOSSLYFQBVYVAD-YTWAJWBKSA-N 1 0 210.346 2.020 10 30 BEEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)cc1 ZINC000070188651 345473800 /nfs/dbraw/zinc/47/38/00/345473800.db2.gz YKWMKCVMDXLGDC-UHFFFAOYSA-N 1 0 229.327 2.123 10 30 BEEERO C#C[C@H]([NH2+]C)c1csc(Br)c1 ZINC000163774239 345776493 /nfs/dbraw/zinc/77/64/93/345776493.db2.gz ONCBLSHPYTUSCR-ZETCQYMHSA-N 1 0 230.130 2.404 10 30 BEEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000300379926 345804860 /nfs/dbraw/zinc/80/48/60/345804860.db2.gz MCTPMZLHHMLRSU-UMSGYPCISA-N 1 0 222.332 2.083 10 30 BEEERO CC[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1C#N)OC ZINC000322636370 345956106 /nfs/dbraw/zinc/95/61/06/345956106.db2.gz SLQNOWCJEROQNW-YNEHKIRRSA-N 1 0 224.348 2.473 10 30 BEEERO C#C[C@@H]([NH3+])c1cccc(Br)c1F ZINC000236301660 346225528 /nfs/dbraw/zinc/22/55/28/346225528.db2.gz WGLJLTGQHNIQSQ-MRVPVSSYSA-N 1 0 228.064 2.221 10 30 BEEERO CC#CC[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000641767579 362702757 /nfs/dbraw/zinc/70/27/57/362702757.db2.gz LUNVSZAJJHJAFC-RUXDESIVSA-N 1 0 223.360 2.177 10 30 BEEERO C#CC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000019875417 187370103 /nfs/dbraw/zinc/37/01/03/187370103.db2.gz WYDVYLVWVGZOJI-UHFFFAOYSA-N 1 0 229.201 2.308 10 30 BEEERO CC(C)(C#N)c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000117338863 347170441 /nfs/dbraw/zinc/17/04/41/347170441.db2.gz NHNWRYQIVBVSAJ-GFCCVEGCSA-N 1 0 200.285 2.434 10 30 BEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1 ZINC000092631299 347214034 /nfs/dbraw/zinc/21/40/34/347214034.db2.gz DPUUBLRUXQQMBI-OAHLLOKOSA-N 1 0 243.354 2.479 10 30 BEEERO Cc1cccc([C@H](C[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967486 179198480 /nfs/dbraw/zinc/19/84/80/179198480.db2.gz WNUJMSAVEKPAMR-JSGCOSHPSA-N 1 0 231.343 2.086 10 30 BEEERO C#CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000020084673 347350007 /nfs/dbraw/zinc/35/00/07/347350007.db2.gz DWMGDEKNUBKTKV-UHFFFAOYSA-N 1 0 216.328 2.256 10 30 BEEERO CC1([NH3+])CCN(c2ccc(C#N)cc2F)CC1 ZINC000591435410 347659800 /nfs/dbraw/zinc/65/98/00/347659800.db2.gz RWTHKBWRWBFFFK-UHFFFAOYSA-N 1 0 233.290 2.015 10 30 BEEERO C=CC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000111693225 323162801 /nfs/dbraw/zinc/16/28/01/323162801.db2.gz RADGHJKFSDKBBZ-ZDUSSCGKSA-N 1 0 241.375 2.060 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000595690058 348315790 /nfs/dbraw/zinc/31/57/90/348315790.db2.gz POAAZBBEKIEKOZ-AXFHLTTASA-N 1 0 244.285 2.083 10 30 BEEERO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)OC ZINC000308960504 349202771 /nfs/dbraw/zinc/20/27/71/349202771.db2.gz FYZUOZXMCLINSS-TUAOUCFPSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402072213 349331072 /nfs/dbraw/zinc/33/10/72/349331072.db2.gz IITIKCLHMFZUHU-MELADBBJSA-N 1 0 236.359 2.475 10 30 BEEERO N#Cc1cccc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000051815329 350136302 /nfs/dbraw/zinc/13/63/02/350136302.db2.gz RNRMJWYPCDXXKH-AWEZNQCLSA-N 1 0 230.311 2.074 10 30 BEEERO C=C1CC[C@@H]2C(=C3CC=CC=C3[N@@H+]2C)C1=O ZINC000220565064 350176186 /nfs/dbraw/zinc/17/61/86/350176186.db2.gz KYASXAOJLSBWBZ-GFCCVEGCSA-N 1 0 213.280 2.360 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000320188729 350586199 /nfs/dbraw/zinc/58/61/99/350586199.db2.gz ZWXMMWKRKDUXLY-RKDXNWHRSA-N 1 0 248.286 2.004 10 30 BEEERO CC1(C)Cc2nc(CC#N)sc2[C@H]([NH3+])C1 ZINC000050331087 187464155 /nfs/dbraw/zinc/46/41/55/187464155.db2.gz SVAZOQZMEGPENT-SSDOTTSWSA-N 1 0 221.329 2.181 10 30 BEEERO C=C(Br)COC[C@@H]1CCCC[NH2+]1 ZINC000051816032 187469405 /nfs/dbraw/zinc/46/94/05/187469405.db2.gz DJJNMBQRQFAYMU-VIFPVBQESA-N 1 0 234.137 2.054 10 30 BEEERO N#Cc1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000616605553 350794993 /nfs/dbraw/zinc/79/49/93/350794993.db2.gz MINHNXGGLZVNNT-CYBMUJFWSA-N 1 0 200.285 2.415 10 30 BEEERO C=C[C@@H](c1cccs1)N1CCOCC1 ZINC000306696723 350848320 /nfs/dbraw/zinc/84/83/20/350848320.db2.gz XWCURCWBYFQOOE-JTQLQIEISA-N 1 0 209.314 2.307 10 30 BEEERO N#Cc1cccc([C@@H]2CCCCN2CC[NH3+])c1 ZINC000616616402 350854890 /nfs/dbraw/zinc/85/48/90/350854890.db2.gz MQIBOLBAZLXMOZ-AWEZNQCLSA-N 1 0 229.327 2.044 10 30 BEEERO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336680660 350902626 /nfs/dbraw/zinc/90/26/26/350902626.db2.gz OHKXQIUHWNUIFF-XQQFMLRXSA-N 1 0 229.339 2.289 10 30 BEEERO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000397773247 350975249 /nfs/dbraw/zinc/97/52/49/350975249.db2.gz HQAUQCXIBGUKCJ-BFHYXJOUSA-N 1 0 236.359 2.163 10 30 BEEERO C(C[N@@H+]1CCC2(C1)CCCCC2)[C@@H]1CO1 ZINC000306769914 351000022 /nfs/dbraw/zinc/00/00/22/351000022.db2.gz BOHZNXRXHHYSBS-GFCCVEGCSA-N 1 0 209.333 2.432 10 30 BEEERO N#Cc1cccc([C@H]2CCC[NH2+]CC2)c1 ZINC000616627191 351107778 /nfs/dbraw/zinc/10/77/78/351107778.db2.gz FSXXYNUXYPKIEE-LBPRGKRZSA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1cccc([C@H]2CCCCC[N@H+]2CCO)c1 ZINC000616623187 351088599 /nfs/dbraw/zinc/08/85/99/351088599.db2.gz MLCKUPSZDSGMTL-OAHLLOKOSA-N 1 0 244.338 2.468 10 30 BEEERO N#Cc1csc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000086500176 351166082 /nfs/dbraw/zinc/16/60/82/351166082.db2.gz IERCGHYEKVQLBT-NSHDSACASA-N 1 0 236.340 2.278 10 30 BEEERO C[C@@H]1CC[N@H+](CC2(C=O)CCCC2)[C@@H]1C ZINC000306857890 351183861 /nfs/dbraw/zinc/18/38/61/351183861.db2.gz YVJFDENKGUJGFL-VXGBXAGGSA-N 1 0 209.333 2.476 10 30 BEEERO C=C(C)CC(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000168232913 351348351 /nfs/dbraw/zinc/34/83/51/351348351.db2.gz SPABPYAWAXOMTL-YOGCLGLASA-N 1 0 207.317 2.395 10 30 BEEERO C=C(Br)CNC1=[NH+]CCCCC1 ZINC000168275297 351363972 /nfs/dbraw/zinc/36/39/72/351363972.db2.gz OONGCKMWPVWRSC-UHFFFAOYSA-N 1 0 231.137 2.457 10 30 BEEERO Brc1ccoc1C#C[C@@H]1CC[NH2+]C1 ZINC000404609409 351602281 /nfs/dbraw/zinc/60/22/81/351602281.db2.gz DXFUYWKXBOUMFK-MRVPVSSYSA-N 1 0 240.100 2.003 10 30 BEEERO C[Si](C)(C)C#Cc1ccc(C[NH3+])cc1 ZINC000170027084 187534563 /nfs/dbraw/zinc/53/45/63/187534563.db2.gz PRIMLIQJCZQUST-UHFFFAOYSA-N 1 0 203.361 2.374 10 30 BEEERO C=C[C@H](C)Oc1cccc(C[NH2+]CCOC)c1 ZINC000062731723 187535038 /nfs/dbraw/zinc/53/50/38/187535038.db2.gz SOFMYPRBLAQDMX-LBPRGKRZSA-N 1 0 235.327 2.376 10 30 BEEERO C[C@H]([NH2+]Cc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000230632534 352185170 /nfs/dbraw/zinc/18/51/70/352185170.db2.gz MYHUNAQUDUYTLZ-GXFFZTMASA-N 1 0 248.301 2.354 10 30 BEEERO C=CC(C)(C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638454866 352264494 /nfs/dbraw/zinc/26/44/94/352264494.db2.gz MRCVLPFIXSYWIR-LBPRGKRZSA-N 1 0 238.375 2.095 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638453898 352266665 /nfs/dbraw/zinc/26/66/65/352266665.db2.gz BSCUGVDSKOZXLY-NWDGAFQWSA-N 1 0 238.375 2.222 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638453963 352266711 /nfs/dbraw/zinc/26/67/11/352266711.db2.gz CFUACJCHTQHFLR-AWEZNQCLSA-N 1 0 238.375 2.237 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)O1 ZINC000411722575 191205738 /nfs/dbraw/zinc/20/57/38/191205738.db2.gz QXYCUOSRWZDHMG-UTUOFQBUSA-N 1 0 222.332 2.226 10 30 BEEERO CC#CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000231370345 538105939 /nfs/dbraw/zinc/10/59/39/538105939.db2.gz QYKFPTLQTHVFJH-GJZGRUSLSA-N 1 0 234.387 2.349 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638875190 353041579 /nfs/dbraw/zinc/04/15/79/353041579.db2.gz OFIGVCRVHKIPMB-LBPRGKRZSA-N 1 0 238.375 2.095 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000638875430 353041880 /nfs/dbraw/zinc/04/18/80/353041880.db2.gz SUTOETGBZGXAKD-NWDGAFQWSA-N 1 0 240.391 2.468 10 30 BEEERO C#CCOc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000050209318 353170667 /nfs/dbraw/zinc/17/06/67/353170667.db2.gz VTXRLEXNDKSUCV-QMMMGPOBSA-N 1 0 209.676 2.372 10 30 BEEERO CC(C)[NH+]1CCC(C#N)(NC2CCCC2)CC1 ZINC000037968415 188115724 /nfs/dbraw/zinc/11/57/24/188115724.db2.gz SAGQRWCININGDL-UHFFFAOYSA-N 1 0 235.375 2.285 10 30 BEEERO C=C(C)c1ccc(NCC(C)(C)[NH3+])nc1 ZINC000095936699 188223601 /nfs/dbraw/zinc/22/36/01/188223601.db2.gz YINOKWXFYVFXNL-UHFFFAOYSA-N 1 0 205.305 2.264 10 30 BEEERO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000183100010 353509992 /nfs/dbraw/zinc/50/99/92/353509992.db2.gz UXUHEFNHEOPUFZ-IUODEOHRSA-N 1 0 247.313 2.334 10 30 BEEERO N#CC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000071522768 181031921 /nfs/dbraw/zinc/03/19/21/181031921.db2.gz NXILGTQCBQHWLY-UHFFFAOYSA-N 1 0 220.703 2.485 10 30 BEEERO N#CCCN([C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000042899489 181036949 /nfs/dbraw/zinc/03/69/49/181036949.db2.gz ZAVYWCQYTKIMEB-CQSZACIVSA-N 1 0 229.327 2.064 10 30 BEEERO N#CCCN([C@H](C[NH3+])c1ccccc1F)C1CC1 ZINC000043045653 181036959 /nfs/dbraw/zinc/03/69/59/181036959.db2.gz MPDPLNPHXMPRID-CQSZACIVSA-N 1 0 247.317 2.204 10 30 BEEERO N#CCCN([C@H](C[NH3+])c1cccc(F)c1)C1CC1 ZINC000042972981 181037130 /nfs/dbraw/zinc/03/71/30/181037130.db2.gz ZFGNHKIQYWZVIR-CQSZACIVSA-N 1 0 247.317 2.204 10 30 BEEERO N#CC[C@@H](c1ccccc1)N1CCCC[C@@H]1C[NH3+] ZINC000055019668 181044845 /nfs/dbraw/zinc/04/48/45/181044845.db2.gz IUGHZOPRLBSEBJ-CABCVRRESA-N 1 0 243.354 2.455 10 30 BEEERO N#CCc1nc(C[C@H]([NH3+])c2ccccc2)cs1 ZINC000051965863 181049754 /nfs/dbraw/zinc/04/97/54/181049754.db2.gz ZIQUUVPABVTYJB-LBPRGKRZSA-N 1 0 243.335 2.452 10 30 BEEERO N#Cc1c(Cl)cc(Br)cc1C[NH3+] ZINC000299889264 181073623 /nfs/dbraw/zinc/07/36/23/181073623.db2.gz GPCYHTGEUDMBST-UHFFFAOYSA-N 1 0 245.507 2.433 10 30 BEEERO N#Cc1c(Cl)cccc1OC[C@@H]1CC[NH2+]C1 ZINC000052908640 181073759 /nfs/dbraw/zinc/07/37/59/181073759.db2.gz VEUAUHPHXMJVHM-SECBINFHSA-N 1 0 236.702 2.200 10 30 BEEERO N#Cc1c(F)cccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793558 181076067 /nfs/dbraw/zinc/07/60/67/181076067.db2.gz AHHMGLUOEMPDFM-LLVKDONJSA-N 1 0 247.317 2.499 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093211069 181076182 /nfs/dbraw/zinc/07/61/82/181076182.db2.gz PNFDGLYVQIJUCV-NXEZZACHSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(C(F)(F)F)ccc1NCCC[NH3+] ZINC000036926897 181084989 /nfs/dbraw/zinc/08/49/89/181084989.db2.gz HTHRDNLZQHZKRC-UHFFFAOYSA-N 1 0 243.232 2.338 10 30 BEEERO N#Cc1ccc(-c2ccc(C[NH3+])o2)s1 ZINC000082639524 181095542 /nfs/dbraw/zinc/09/55/42/181095542.db2.gz YUEHDUHQIRVHPR-UHFFFAOYSA-N 1 0 204.254 2.338 10 30 BEEERO N#Cc1cc(N)ccc1OCCC[NH+]1CCCC1 ZINC000049331674 181089640 /nfs/dbraw/zinc/08/96/40/181089640.db2.gz UCBDFYAZZQCTIU-UHFFFAOYSA-N 1 0 245.326 2.005 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232455005 363373151 /nfs/dbraw/zinc/37/31/51/363373151.db2.gz MNFLKXTXSATERT-NXEZZACHSA-N 1 0 246.148 2.052 10 30 BEEERO N#Cc1ccc(CC[C@H]2CCC[NH2+]C2)cc1 ZINC000029550195 181102527 /nfs/dbraw/zinc/10/25/27/181102527.db2.gz IEICKCOJPJKAPF-CQSZACIVSA-N 1 0 214.312 2.490 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037996932 181108630 /nfs/dbraw/zinc/10/86/30/181108630.db2.gz WWRXLLVAEDNVDF-CQSZACIVSA-N 1 0 230.311 2.217 10 30 BEEERO N#Cc1ccc(C[NH2+]Cc2ccc[nH]2)cc1 ZINC000051789217 181109482 /nfs/dbraw/zinc/10/94/82/181109482.db2.gz FHVZGBWVJOZJMH-UHFFFAOYSA-N 1 0 211.268 2.176 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000052013047 181109544 /nfs/dbraw/zinc/10/95/44/181109544.db2.gz JOXQVBJLEAZPOT-KGLIPLIRSA-N 1 0 248.301 2.090 10 30 BEEERO N#Cc1ccc(N2CCC[NH2+]CC2)c(Cl)c1 ZINC000062790334 181114948 /nfs/dbraw/zinc/11/49/48/181114948.db2.gz TYUZMELSPGCPTM-UHFFFAOYSA-N 1 0 235.718 2.011 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000335581057 181126218 /nfs/dbraw/zinc/12/62/18/181126218.db2.gz MJYYKUDPJXUVQJ-YPMHNXCESA-N 1 0 215.300 2.098 10 30 BEEERO N#Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])c(F)c1 ZINC000038051108 181126450 /nfs/dbraw/zinc/12/64/50/181126450.db2.gz ZYURDCLIFNCVKJ-YPMHNXCESA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000335583121 181126615 /nfs/dbraw/zinc/12/66/15/181126615.db2.gz VGTWRPHTZKYYIV-ONGXEEELSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000335583119 181126638 /nfs/dbraw/zinc/12/66/38/181126638.db2.gz VGTWRPHTZKYYIV-KOLCDFICSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791632 181129039 /nfs/dbraw/zinc/12/90/39/181129039.db2.gz JMLHNPQEFVOFOU-SNVBAGLBSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050816 181149287 /nfs/dbraw/zinc/14/92/87/181149287.db2.gz VMHUFPYLRTVPEM-DGCLKSJQSA-N 1 0 215.300 2.240 10 30 BEEERO N#Cc1cccnc1OCCCC1CC[NH2+]CC1 ZINC000095072086 181154295 /nfs/dbraw/zinc/15/42/95/181154295.db2.gz XKQNGJFRDONEEM-UHFFFAOYSA-N 1 0 245.326 2.112 10 30 BEEERO N#Cc1cccnc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095072084 181154353 /nfs/dbraw/zinc/15/43/53/181154353.db2.gz LXIQAZTZMCVLKT-LBPRGKRZSA-N 1 0 245.326 2.112 10 30 BEEERO COC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000234561271 363424331 /nfs/dbraw/zinc/42/43/31/363424331.db2.gz GWBGEKMFSOLOEL-GHMZBOCLSA-N 1 0 210.321 2.083 10 30 BEEERO N#Cc1ccnc(SC[C@@H]2CCCC[NH2+]2)c1 ZINC000095072091 181157851 /nfs/dbraw/zinc/15/78/51/181157851.db2.gz KZIWAFQGEAQNDJ-NSHDSACASA-N 1 0 233.340 2.187 10 30 BEEERO N#Cc1sc(C[NH3+])nc1-c1cccs1 ZINC000082538526 181177838 /nfs/dbraw/zinc/17/78/38/181177838.db2.gz VCFIYAQUGHECFX-UHFFFAOYSA-N 1 0 221.310 2.202 10 30 BEEERO C#C[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000166524856 355667267 /nfs/dbraw/zinc/66/72/67/355667267.db2.gz NADJRZOCBAYTOF-ONGXEEELSA-N 1 0 203.310 2.445 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2nn(C)cc2CC#N)[C@H]1C ZINC000675056561 538478572 /nfs/dbraw/zinc/47/85/72/538478572.db2.gz RVYBEQNCAXEYIQ-NEPJUHHUSA-N 1 0 246.358 2.107 10 30 BEEERO C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C[C@H]1C ZINC000675060090 538486164 /nfs/dbraw/zinc/48/61/64/538486164.db2.gz RYENGWHTWHAVLO-DGTMBMJNSA-N 1 0 223.360 2.483 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000404145481 358511805 /nfs/dbraw/zinc/51/18/05/358511805.db2.gz OFWHHUKUGPMZED-ZDUSSCGKSA-N 1 0 248.301 2.356 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)CCO1 ZINC000388655092 357094227 /nfs/dbraw/zinc/09/42/27/357094227.db2.gz FJVKRGLYJBPRRE-YIYPIFLZSA-N 1 0 236.359 2.473 10 30 BEEERO C#C[C@H]([NH2+]C)c1ccc(Br)c(F)c1 ZINC000130088894 357183035 /nfs/dbraw/zinc/18/30/35/357183035.db2.gz ZDHLYPDTOKGIRT-JTQLQIEISA-N 1 0 242.091 2.482 10 30 BEEERO C[NH+](C)CC#CCN1CCCc2ccccc21 ZINC000584624465 358292618 /nfs/dbraw/zinc/29/26/18/358292618.db2.gz KVGTYFZLFDTHOO-UHFFFAOYSA-N 1 0 228.339 2.004 10 30 BEEERO C=CC[C@H]1C[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000584636815 358321561 /nfs/dbraw/zinc/32/15/61/358321561.db2.gz FYFGTPYBZJGNFF-LSDHHAIUSA-N 1 0 231.339 2.402 10 30 BEEERO C=CC[N@H+]1CCC2(C1)C[C@@H](C)O[C@H](C)C2 ZINC000584640914 358327267 /nfs/dbraw/zinc/32/72/67/358327267.db2.gz QZZBKYVXZJMYTO-VXGBXAGGSA-N 1 0 209.333 2.452 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000130124402 358422177 /nfs/dbraw/zinc/42/21/77/358422177.db2.gz KQEBVXXZXQGLER-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000127144373 358560650 /nfs/dbraw/zinc/56/06/50/358560650.db2.gz VCTHPIUWQSCGSY-RYUDHWBXSA-N 1 0 224.348 2.067 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127945273 358568056 /nfs/dbraw/zinc/56/80/56/358568056.db2.gz HGELRCIKVDDEQT-KBPBESRZSA-N 1 0 236.359 2.307 10 30 BEEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)C(C)C ZINC000134698989 358802267 /nfs/dbraw/zinc/80/22/67/358802267.db2.gz WCUUTYUUAQAEQY-AWEZNQCLSA-N 1 0 249.354 2.358 10 30 BEEERO CC(C)COC1CC[NH+](CCCC#N)CC1 ZINC000054324742 358859019 /nfs/dbraw/zinc/85/90/19/358859019.db2.gz QJEUSHYGTGMGBS-UHFFFAOYSA-N 1 0 224.348 2.427 10 30 BEEERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12CO2 ZINC000306196713 359025272 /nfs/dbraw/zinc/02/52/72/359025272.db2.gz LBISXHXPNOWRKD-YPMHNXCESA-N 1 0 203.285 2.050 10 30 BEEERO C#C[C@H]([NH3+])c1cc(C)c(Br)s1 ZINC000130286781 359012420 /nfs/dbraw/zinc/01/24/20/359012420.db2.gz BGLDNJKNPLICRH-LURJTMIESA-N 1 0 230.130 2.452 10 30 BEEERO C#CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247534161 359231795 /nfs/dbraw/zinc/23/17/95/359231795.db2.gz OMVBQGQPSRVXSR-HUUCEWRRSA-N 1 0 229.323 2.208 10 30 BEEERO C=CCC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000292895186 359321267 /nfs/dbraw/zinc/32/12/67/359321267.db2.gz GFEPVVADASIRJI-UHFFFAOYSA-N 1 0 221.348 2.420 10 30 BEEERO C#C[C@H]([NH3+])c1cc(Br)ccc1C ZINC000130322507 359501127 /nfs/dbraw/zinc/50/11/27/359501127.db2.gz IMRNFKVKSDYBMT-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C=C(C)[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000228281000 359662646 /nfs/dbraw/zinc/66/26/46/359662646.db2.gz QBMQCAYXQLEUHX-XHNCKOQMSA-N 1 0 203.376 2.127 10 30 BEEERO C=C(C)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000351880205 366543200 /nfs/dbraw/zinc/54/32/00/366543200.db2.gz WVVSSYJWZIMWGB-CYBMUJFWSA-N 1 0 208.349 2.123 10 30 BEEERO CC(C)(C#N)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439490 360308434 /nfs/dbraw/zinc/30/84/34/360308434.db2.gz IGPXALBTVPTFDY-CYBMUJFWSA-N 1 0 235.375 2.096 10 30 BEEERO SCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000306561646 360438958 /nfs/dbraw/zinc/43/89/58/360438958.db2.gz TWOHQUWPEOEXDC-GFCCVEGCSA-N 1 0 207.342 2.063 10 30 BEEERO C[C@H]1OCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000134545875 364405528 /nfs/dbraw/zinc/40/55/28/364405528.db2.gz GDVMYMYHXNNOAB-MNOVXSKESA-N 1 0 210.321 2.083 10 30 BEEERO C=CCCOCC[NH2+][C@H]1CCCSC1 ZINC000134816914 364415203 /nfs/dbraw/zinc/41/52/03/364415203.db2.gz XGSCFDQEXLLJEK-NSHDSACASA-N 1 0 215.362 2.064 10 30 BEEERO C[P+]1(c2ccccc2)CCC(=O)CC1 ZINC000048522898 368376159 /nfs/dbraw/zinc/37/61/59/368376159.db2.gz PSXNRDCMWGYYGG-UHFFFAOYSA-N 1 0 207.233 2.322 10 30 BEEERO CC[C@@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1[NH3+] ZINC000122933756 368964644 /nfs/dbraw/zinc/96/46/44/368964644.db2.gz MSPSLJBYHSKOGY-MFKMUULPSA-N 1 0 247.317 2.261 10 30 BEEERO O=C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000054219149 369061928 /nfs/dbraw/zinc/06/19/28/369061928.db2.gz PBJNQMKUMFMVDP-JTQLQIEISA-N 1 0 209.314 2.159 10 30 BEEERO C=C(C)C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000130841235 369116999 /nfs/dbraw/zinc/11/69/99/369116999.db2.gz ADCGZBLVVBPGSC-LLVKDONJSA-N 1 0 219.284 2.424 10 30 BEEERO N#Cc1cc(F)ccc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959206 369577255 /nfs/dbraw/zinc/57/72/55/369577255.db2.gz SZGHGVCWBPQYDI-ZDUSSCGKSA-N 1 0 247.317 2.405 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955283 369576195 /nfs/dbraw/zinc/57/61/95/369576195.db2.gz LTLOWJUOWKTPGO-ZYHUDNBSSA-N 1 0 244.342 2.123 10 30 BEEERO Cc1cc(C#N)cc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000600963355 369581238 /nfs/dbraw/zinc/58/12/38/369581238.db2.gz VFMSXTBNFRYDFK-AULYBMBSSA-N 1 0 244.342 2.191 10 30 BEEERO C[C@H]1CCCN(c2cccc(F)c2C#N)[C@H]1C[NH3+] ZINC000252212225 370002460 /nfs/dbraw/zinc/00/24/60/370002460.db2.gz WRFYBUANTXDEED-HZMBPMFUSA-N 1 0 247.317 2.261 10 30 BEEERO CC(C)(C)OCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000308514767 370143090 /nfs/dbraw/zinc/14/30/90/370143090.db2.gz UBPHYBXFSMYZDR-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000310529201 370350278 /nfs/dbraw/zinc/35/02/78/370350278.db2.gz YUKAYZLFHFAJAL-VXGBXAGGSA-N 1 0 211.349 2.482 10 30 BEEERO C[C@H](C(=O)c1ccco1)/[N+](O)=C/c1ccccc1 ZINC000225410326 370552395 /nfs/dbraw/zinc/55/23/95/370552395.db2.gz QOTDQUYPNQMREU-MKVLZVNKSA-N 1 0 244.270 2.372 10 30 BEEERO CC(C)(C#N)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019935150 371205333 /nfs/dbraw/zinc/20/53/33/371205333.db2.gz UPVSBCHZSIHTBX-UHFFFAOYSA-N 1 0 243.354 2.106 10 30 BEEERO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CCCO1 ZINC000126655661 371542361 /nfs/dbraw/zinc/54/23/61/371542361.db2.gz SZPBAVYMVGSJBZ-LBPRGKRZSA-N 1 0 224.348 2.475 10 30 BEEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000126709569 371543854 /nfs/dbraw/zinc/54/38/54/371543854.db2.gz LOIFFNMNMOEXLW-NEPJUHHUSA-N 1 0 224.348 2.209 10 30 BEEERO CC#CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000131608610 371631378 /nfs/dbraw/zinc/63/13/78/371631378.db2.gz KEIRIGWXUJSKLY-SECBINFHSA-N 1 0 208.692 2.409 10 30 BEEERO [NH3+]CC#Cc1cc2cc(Cl)ccc2o1 ZINC000131807524 371682827 /nfs/dbraw/zinc/68/28/27/371682827.db2.gz UXBJXTBAHJSRHK-UHFFFAOYSA-N 1 0 205.644 2.396 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000227473616 371871881 /nfs/dbraw/zinc/87/18/81/371871881.db2.gz KVHOSBDSEBBZMG-LSDHHAIUSA-N 1 0 244.338 2.351 10 30 BEEERO C#CC[C@@H]([NH2+]C)c1ncccc1Br ZINC000133240049 372011128 /nfs/dbraw/zinc/01/11/28/372011128.db2.gz TYGGCRMBGUHLFX-SECBINFHSA-N 1 0 239.116 2.128 10 30 BEEERO C[C@@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164088319 372096705 /nfs/dbraw/zinc/09/67/05/372096705.db2.gz CAVWWIKEOIMDMY-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO [NH3+]CCCC#Cc1occc1Br ZINC000229817608 372197776 /nfs/dbraw/zinc/19/77/76/372197776.db2.gz UXJXWTDOEGHYCM-UHFFFAOYSA-N 1 0 228.089 2.133 10 30 BEEERO NC(=[NH2+])Nc1c(Cl)cc(F)cc1Cl ZINC000143387296 374174999 /nfs/dbraw/zinc/17/49/99/374174999.db2.gz DVCDEADUPZGLLU-UHFFFAOYSA-N 1 0 222.050 2.037 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(C#CCO)cc1F ZINC000049617332 169128711 /nfs/dbraw/zinc/12/87/11/169128711.db2.gz UGMLRGRHRRXPPO-UHFFFAOYSA-N 1 0 249.329 2.401 10 30 BEEERO CCC[N@H+](CC)Cc1cccc(C#CC[NH3+])c1 ZINC000049608870 169129263 /nfs/dbraw/zinc/12/92/63/169129263.db2.gz KRLWRSNKDRKFQX-UHFFFAOYSA-N 1 0 230.355 2.229 10 30 BEEERO CCCNC(=[NH+]N)[C@H]1CCCc2ccccc21 ZINC000054669723 169184009 /nfs/dbraw/zinc/18/40/09/169184009.db2.gz VIPXZDVKOHJBEA-ZDUSSCGKSA-N 1 0 231.343 2.378 10 30 BEEERO CCC[NH+]1CCN([C@H]2CCCC[C@H]2C#N)CC1 ZINC000037146446 169204712 /nfs/dbraw/zinc/20/47/12/169204712.db2.gz UXVMZCZXIYDAPS-KBPBESRZSA-N 1 0 235.375 2.096 10 30 BEEERO CCCN[C@H](C#N)CN1CCC(CCC)CC1 ZINC000050905502 169283966 /nfs/dbraw/zinc/28/39/66/169283966.db2.gz IMGJIXJSNGLBLX-CQSZACIVSA-N 1 0 237.391 2.390 10 30 BEEERO CCCN[C@@](C)(C#N)CC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104422190 169284073 /nfs/dbraw/zinc/28/40/73/169284073.db2.gz YUEOQKBMEIOBCC-MELADBBJSA-N 1 0 237.391 2.246 10 30 BEEERO c1ccc(CC[NH+]2CCC3(CO3)CC2)cc1 ZINC000001563313 183391012 /nfs/dbraw/zinc/39/10/12/183391012.db2.gz QZKACCAATDJFQZ-UHFFFAOYSA-N 1 0 217.312 2.094 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000309253958 134386531 /nfs/dbraw/zinc/38/65/31/134386531.db2.gz RMCHSAOHABKQEV-OLZOCXBDSA-N 1 0 222.332 2.085 10 30 BEEERO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336255172 384184506 /nfs/dbraw/zinc/18/45/06/384184506.db2.gz XSTHNHTYOHNHHR-QMTHXVAHSA-N 1 0 248.301 2.043 10 30 BEEERO CC[C@](C)(O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000119383921 384236692 /nfs/dbraw/zinc/23/66/92/384236692.db2.gz LGSOKZALEHPMOG-AWEZNQCLSA-N 1 0 232.327 2.151 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)cc1F ZINC000336666773 384250668 /nfs/dbraw/zinc/25/06/68/384250668.db2.gz QGBAUXDTECPUAC-SECBINFHSA-N 1 0 221.279 2.237 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000310374953 384264156 /nfs/dbraw/zinc/26/41/56/384264156.db2.gz YXYAPBKCSIVHCR-QMMMGPOBSA-N 1 0 239.269 2.376 10 30 BEEERO CC#CC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000119377324 384359924 /nfs/dbraw/zinc/35/99/24/384359924.db2.gz VKECLDHFJVIEFO-ZDUSSCGKSA-N 1 0 209.333 2.291 10 30 BEEERO C[C@@H]1COC[C@@H](C)[NH+]1CCCC(C)(C)C#N ZINC000174872648 384372062 /nfs/dbraw/zinc/37/20/62/384372062.db2.gz UQZCQDGCWQMSHV-VXGBXAGGSA-N 1 0 224.348 2.426 10 30 BEEERO CCN(CC#Cc1ccccc1)CCC#N ZINC000051814461 384687854 /nfs/dbraw/zinc/68/78/54/384687854.db2.gz KDFLGBIFNLGDFC-UHFFFAOYSA-N 1 0 212.296 2.274 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000155401072 384721789 /nfs/dbraw/zinc/72/17/89/384721789.db2.gz CEPMOYJBDMIBQZ-CYBMUJFWSA-N 1 0 247.342 2.046 10 30 BEEERO CC#CCC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000155557612 384734554 /nfs/dbraw/zinc/73/45/54/384734554.db2.gz TYKRZEJZLCZWFK-CQSZACIVSA-N 1 0 245.370 2.496 10 30 BEEERO CC#CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000155751457 384754411 /nfs/dbraw/zinc/75/44/11/384754411.db2.gz IPDHSEDZIBWCDH-AWEZNQCLSA-N 1 0 243.354 2.229 10 30 BEEERO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1C#N ZINC000083730044 384849970 /nfs/dbraw/zinc/84/99/70/384849970.db2.gz LNRPAWRBUSMPNH-CABZTGNLSA-N 1 0 216.284 2.065 10 30 BEEERO CC#CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000156637617 384901663 /nfs/dbraw/zinc/90/16/63/384901663.db2.gz UYMLPFJONAWJIG-ZDUSSCGKSA-N 1 0 217.316 2.350 10 30 BEEERO C[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCOC1 ZINC000119745605 384918382 /nfs/dbraw/zinc/91/83/82/384918382.db2.gz PQZFKRRPGYWALJ-NSHDSACASA-N 1 0 234.299 2.010 10 30 BEEERO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCO1 ZINC000119787583 384947703 /nfs/dbraw/zinc/94/77/03/384947703.db2.gz IUQVRGNRNNKWIK-ZDUSSCGKSA-N 1 0 248.301 2.308 10 30 BEEERO C[C@H](CCC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000310374948 385014246 /nfs/dbraw/zinc/01/42/46/385014246.db2.gz YXYAPBKCSIVHCR-MRVPVSSYSA-N 1 0 239.269 2.376 10 30 BEEERO Cc1ccc([C@@H](C)[NH2+]CCOCCC#N)o1 ZINC000294708431 385131182 /nfs/dbraw/zinc/13/11/82/385131182.db2.gz UZWLXQVSLOFSMU-LLVKDONJSA-N 1 0 222.288 2.169 10 30 BEEERO N#C[C@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000308852260 385216700 /nfs/dbraw/zinc/21/67/00/385216700.db2.gz DRNITKJJEAUMFP-IUCAKERBSA-N 1 0 214.259 2.456 10 30 BEEERO C=CC[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000309120115 385424281 /nfs/dbraw/zinc/42/42/81/385424281.db2.gz NIFSILIYIGTTOJ-WXRRBKDZSA-N 1 0 211.349 2.339 10 30 BEEERO CO[C@@]1(C)CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000584599230 385465420 /nfs/dbraw/zinc/46/54/20/385465420.db2.gz YTNNVDFOEBYUMZ-KGLIPLIRSA-N 1 0 230.311 2.388 10 30 BEEERO C=CC[NH2+][C@H]1CCCCCC[C@H]1C(=O)OC ZINC000309442587 385583211 /nfs/dbraw/zinc/58/32/11/385583211.db2.gz IXPLUKFIWJZBKP-NEPJUHHUSA-N 1 0 225.332 2.274 10 30 BEEERO C#CCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000309559513 385690937 /nfs/dbraw/zinc/69/09/37/385690937.db2.gz KOKXLQQOMXZNTG-DGCLKSJQSA-N 1 0 215.296 2.164 10 30 BEEERO COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309681096 385786249 /nfs/dbraw/zinc/78/62/49/385786249.db2.gz ZLTQZVKGHPCKFR-AGIUHOORSA-N 1 0 224.348 2.329 10 30 BEEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000309235962 386010071 /nfs/dbraw/zinc/01/00/71/386010071.db2.gz XMKWJGGCVKZZAJ-PSASIEDQSA-N 1 0 221.329 2.293 10 30 BEEERO COCC#CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000645180709 386845343 /nfs/dbraw/zinc/84/53/43/386845343.db2.gz NELOJHBTYHUTFO-UHFFFAOYSA-N 1 0 233.355 2.051 10 30 BEEERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000335792100 386929318 /nfs/dbraw/zinc/92/93/18/386929318.db2.gz FPMRFZDCFZKWCQ-CHWSQXEVSA-N 1 0 244.338 2.362 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000211931817 387010042 /nfs/dbraw/zinc/01/00/42/387010042.db2.gz AFXKCCTYKMXJQQ-AOOOYVTPSA-N 1 0 249.745 2.398 10 30 BEEERO C[C@H]1C[NH2+]C[C@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000211931883 387010204 /nfs/dbraw/zinc/01/02/04/387010204.db2.gz AFXKCCTYKMXJQQ-UWVGGRQHSA-N 1 0 249.745 2.398 10 30 BEEERO C=CC[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204373 387150712 /nfs/dbraw/zinc/15/07/12/387150712.db2.gz BMSRTKDQZLSPDI-SNVBAGLBSA-N 1 0 202.257 2.449 10 30 BEEERO C[C@H]1CCSC(NCC(C)(F)F)=[NH+]1 ZINC000575482051 387182316 /nfs/dbraw/zinc/18/23/16/387182316.db2.gz UYHBCDZZXBPUHW-LURJTMIESA-N 1 0 208.277 2.113 10 30 BEEERO C[C@@H]1CCSC(NCC(C)(F)F)=[NH+]1 ZINC000575482056 387182332 /nfs/dbraw/zinc/18/23/32/387182332.db2.gz UYHBCDZZXBPUHW-ZCFIWIBFSA-N 1 0 208.277 2.113 10 30 BEEERO C[C@H]([NH3+])C#Cc1cccc(Br)c1 ZINC000575493440 387273268 /nfs/dbraw/zinc/27/32/68/387273268.db2.gz NMUOLEVRORUWAO-QMMMGPOBSA-N 1 0 224.101 2.148 10 30 BEEERO [NH3+]CCC#Cc1ccc(Br)cc1 ZINC000575494096 387286422 /nfs/dbraw/zinc/28/64/22/387286422.db2.gz VEORSVLKXPXXCJ-UHFFFAOYSA-N 1 0 224.101 2.149 10 30 BEEERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(C#N)cc1 ZINC000368495466 388681214 /nfs/dbraw/zinc/68/12/14/388681214.db2.gz JXKUMOCXVCYUHT-FBUXBERBSA-N 1 0 242.322 2.101 10 30 BEEERO C#CCOc1c(C[NH2+]C2CC2)cccc1OCC ZINC000037705022 388646660 /nfs/dbraw/zinc/64/66/60/388646660.db2.gz YCDKMDXLIFBXDJ-UHFFFAOYSA-N 1 0 245.322 2.349 10 30 BEEERO Cc1cc(C#N)cc2ncn(C3CC[NH2+]CC3)c21 ZINC000215882570 177726146 /nfs/dbraw/zinc/72/61/46/177726146.db2.gz UOUGNFAHRNTPRZ-UHFFFAOYSA-N 1 0 240.310 2.141 10 30 BEEERO Cc1cc(N[C@@H](C)CCCC[NH3+])cc(C#N)n1 ZINC000308246482 388658474 /nfs/dbraw/zinc/65/84/74/388658474.db2.gz XNFJUUOOODHYDN-JTQLQIEISA-N 1 0 232.331 2.191 10 30 BEEERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036291 388704814 /nfs/dbraw/zinc/70/48/14/388704814.db2.gz SSCKGVQSOKTNKF-MCIONIFRSA-N 1 0 235.375 2.143 10 30 BEEERO C[C@H]1CCCN(c2ccc(F)cc2C#N)[C@@H]1C[NH3+] ZINC000070178408 132230287 /nfs/dbraw/zinc/23/02/87/132230287.db2.gz LKIQDKDHMQJLPC-IINYFYTJSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1cc(C)ccc1C#N ZINC000063169463 132389236 /nfs/dbraw/zinc/38/92/36/132389236.db2.gz JBGXFUOWTKIWQP-CQSZACIVSA-N 1 0 243.354 2.445 10 30 BEEERO C[C@@H]1CCN(c2ccc(F)cc2C#N)[C@@H](C[NH3+])C1 ZINC000235361159 132392287 /nfs/dbraw/zinc/39/22/87/132392287.db2.gz ISSLASLFGPXLPV-ZWNOBZJWSA-N 1 0 247.317 2.261 10 30 BEEERO C=CC[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000116927331 133443157 /nfs/dbraw/zinc/44/31/57/133443157.db2.gz JJKYGQQHTKFMEB-GFCCVEGCSA-N 1 0 242.326 2.322 10 30 BEEERO C=CC[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162584504 133521578 /nfs/dbraw/zinc/52/15/78/133521578.db2.gz WWOBWCXOMJXRIU-RHYQMDGZSA-N 1 0 209.333 2.354 10 30 BEEERO C[N@@H+]1CCC[C@H]2CN(CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121954 /nfs/dbraw/zinc/12/19/54/134121954.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 1 0 247.386 2.096 10 30 BEEERO C[C@H]1C[C@H]([N@H+](C)CCCCC#N)CCN1C ZINC000123446847 134243713 /nfs/dbraw/zinc/24/37/13/134243713.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 1 0 223.364 2.095 10 30 BEEERO Cc1cnc([C@H](C)[NH2+]CCCCC#N)o1 ZINC000220935592 134314924 /nfs/dbraw/zinc/31/49/24/134314924.db2.gz RZMDVKYAGPXMMY-JTQLQIEISA-N 1 0 207.277 2.328 10 30 BEEERO Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2C#N)cs1 ZINC000224373524 134346181 /nfs/dbraw/zinc/34/61/81/134346181.db2.gz CMYCQIBRXNPIRJ-ZYHUDNBSSA-N 1 0 235.356 2.276 10 30 BEEERO C[C@H]([NH3+])CCNc1ccc(Cl)cc1C#N ZINC000063171542 134524330 /nfs/dbraw/zinc/52/43/30/134524330.db2.gz PFSMUTMQBVVLNK-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO C=CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128062182 134611104 /nfs/dbraw/zinc/61/11/04/134611104.db2.gz OZEOBJFUUAHGFL-VXGBXAGGSA-N 1 0 205.305 2.142 10 30 BEEERO Cc1ccnc(N[C@@H](C[NH3+])CC(C)C)c1C#N ZINC000135201973 134774982 /nfs/dbraw/zinc/77/49/82/134774982.db2.gz AWMSJJUPKCTEGZ-LLVKDONJSA-N 1 0 232.331 2.047 10 30 BEEERO CC#CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248387786 135002023 /nfs/dbraw/zinc/00/20/23/135002023.db2.gz BVPDOTGSVMNYON-CHWSQXEVSA-N 1 0 207.317 2.043 10 30 BEEERO CC#CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248397967 135005256 /nfs/dbraw/zinc/00/52/56/135005256.db2.gz SOVCHFDFOKSDBB-UONOGXRCSA-N 1 0 221.344 2.027 10 30 BEEERO C=CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000248408013 135006383 /nfs/dbraw/zinc/00/63/83/135006383.db2.gz VBWAUTGGWCJIEB-CQSZACIVSA-N 1 0 216.328 2.161 10 30 BEEERO CCCCCC[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000070662772 135007164 /nfs/dbraw/zinc/00/71/64/135007164.db2.gz LXVBMCMXVFSUKQ-NSHDSACASA-N 1 0 227.352 2.168 10 30 BEEERO N#CC1(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000337290987 135010353 /nfs/dbraw/zinc/01/03/53/135010353.db2.gz OEPXHJYQNFKNJX-MGPQQGTHSA-N 1 0 248.370 2.306 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000250640701 135056819 /nfs/dbraw/zinc/05/68/19/135056819.db2.gz HCVQZWHJCKZIKI-GARJFASQSA-N 1 0 210.346 2.164 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCCC#N ZINC000252661853 135094502 /nfs/dbraw/zinc/09/45/02/135094502.db2.gz QIZUOCUILZZCJJ-KBPBESRZSA-N 1 0 235.375 2.239 10 30 BEEERO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095991 135121384 /nfs/dbraw/zinc/12/13/84/135121384.db2.gz PTDVUQXRRAGMCW-BFHYXJOUSA-N 1 0 221.344 2.025 10 30 BEEERO N#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253104284 135122496 /nfs/dbraw/zinc/12/24/96/135122496.db2.gz ZJUWVRCBYBEUGY-MCIONIFRSA-N 1 0 236.359 2.306 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261534159 135166966 /nfs/dbraw/zinc/16/69/66/135166966.db2.gz NSVOVISAANWEIN-ZYHUDNBSSA-N 1 0 223.364 2.412 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)cc1 ZINC000087780105 135167757 /nfs/dbraw/zinc/16/77/57/135167757.db2.gz XJRTZCJARRUSQX-CYBMUJFWSA-N 1 0 217.316 2.488 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)cc1 ZINC000087780103 135167865 /nfs/dbraw/zinc/16/78/65/135167865.db2.gz XJRTZCJARRUSQX-ZDUSSCGKSA-N 1 0 217.316 2.488 10 30 BEEERO COC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000164258157 135218040 /nfs/dbraw/zinc/21/80/40/135218040.db2.gz DNZXOTKNKSLQTP-XVSSEFHLSA-N 1 0 222.332 2.226 10 30 BEEERO C=CC[N@@H+](C)C[C@@H](O)c1cc(F)ccc1F ZINC000121238455 135222071 /nfs/dbraw/zinc/22/20/71/135222071.db2.gz YRJKYPQGXQJRLO-GFCCVEGCSA-N 1 0 227.254 2.116 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261664982 135243627 /nfs/dbraw/zinc/24/36/27/135243627.db2.gz GGBKTEYRHLASBW-FRRDWIJNSA-N 1 0 249.402 2.482 10 30 BEEERO C[C@@H]1CCCN(C(=[NH2+])NCC2(C(F)F)CC2)C1 ZINC000262442086 135299858 /nfs/dbraw/zinc/29/98/58/135299858.db2.gz HXFMSWQVVOSCRV-SECBINFHSA-N 1 0 245.317 2.078 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CC[C@@H]1C ZINC000262472885 135300957 /nfs/dbraw/zinc/30/09/57/135300957.db2.gz BMZJPIGJWLBAQE-JQWIXIFHSA-N 1 0 247.342 2.358 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@H](C)C1 ZINC000262533830 135304825 /nfs/dbraw/zinc/30/48/25/135304825.db2.gz JCYIBFICAOQYNR-WDEREUQCSA-N 1 0 223.364 2.092 10 30 BEEERO C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[C@@H]1C ZINC000262810440 135319165 /nfs/dbraw/zinc/31/91/65/135319165.db2.gz OSWOLJFPZVPAES-GZMMTYOYSA-N 1 0 237.372 2.130 10 30 BEEERO CN1CC[NH+]=C1NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000263027519 135327585 /nfs/dbraw/zinc/32/75/85/135327585.db2.gz AVVZLRGLJMKBSR-ZFWWWQNUSA-N 1 0 243.354 2.071 10 30 BEEERO CC[C@@]1(C(C)C)C[C@H]1NC1=[NH+]CCCN1C ZINC000263072321 135331333 /nfs/dbraw/zinc/33/13/33/135331333.db2.gz GWRLIXJAEGURRS-YPMHNXCESA-N 1 0 223.364 2.092 10 30 BEEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])NC1CCC1 ZINC000263083106 135331757 /nfs/dbraw/zinc/33/17/57/135331757.db2.gz HYBJEWKNOALEKW-AAEUAGOBSA-N 1 0 223.364 2.268 10 30 BEEERO [NH2+]=C(NC1CCC1)N[C@@H]1CCC12CCCC2 ZINC000263161604 135340942 /nfs/dbraw/zinc/34/09/42/135340942.db2.gz QPSKVMNQYKPQCJ-LLVKDONJSA-N 1 0 221.348 2.166 10 30 BEEERO C[NH+]=C(N[C@H]1CC1(C)C)N1CCc2ccccc21 ZINC000263259665 135343005 /nfs/dbraw/zinc/34/30/05/135343005.db2.gz SCCATLBSQRRPRV-ZDUSSCGKSA-N 1 0 243.354 2.423 10 30 BEEERO CN(C(=[NH2+])N[C@H]1CCC12CCCC2)C1CC1 ZINC000263271196 135343343 /nfs/dbraw/zinc/34/33/43/135343343.db2.gz PEVOETZSOSEMOE-NSHDSACASA-N 1 0 221.348 2.118 10 30 BEEERO Cc1ccc([C@H](C)[NH2+]CCOCCC#N)o1 ZINC000294708436 135378362 /nfs/dbraw/zinc/37/83/62/135378362.db2.gz UZWLXQVSLOFSMU-NSHDSACASA-N 1 0 222.288 2.169 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061892631 398107630 /nfs/dbraw/zinc/10/76/30/398107630.db2.gz HCVQZWHJCKZIKI-HBNTYKKESA-N 1 0 210.346 2.164 10 30 BEEERO CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000061891098 398108104 /nfs/dbraw/zinc/10/81/04/398108104.db2.gz HIXSZBURWSHQLG-JSGCOSHPSA-N 1 0 235.375 2.141 10 30 BEEERO C#CCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019473518 166149969 /nfs/dbraw/zinc/14/99/69/166149969.db2.gz DEFZFUUBIWULMY-UHFFFAOYSA-N 1 0 227.307 2.465 10 30 BEEERO C=CC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000662630479 409801522 /nfs/dbraw/zinc/80/15/22/409801522.db2.gz JXYNYRQVQXBFSB-STQMWFEESA-N 1 0 238.375 2.175 10 30 BEEERO C=CCCC(C)(C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000662954307 409988538 /nfs/dbraw/zinc/98/85/38/409988538.db2.gz UIHOGWXTPDRAOT-NSHDSACASA-N 1 0 226.364 2.221 10 30 BEEERO C#CC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019875675 166191110 /nfs/dbraw/zinc/19/11/10/166191110.db2.gz UEMXKIPADXVCKX-CQSZACIVSA-N 1 0 215.296 2.295 10 30 BEEERO C#CCOc1ccc(C[NH2+]C2CC2)cc1OCC ZINC000037486608 166198587 /nfs/dbraw/zinc/19/85/87/166198587.db2.gz SYVPQFWQHVFZFA-UHFFFAOYSA-N 1 0 245.322 2.349 10 30 BEEERO C#CCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000037704458 166198796 /nfs/dbraw/zinc/19/87/96/166198796.db2.gz IKRHWYNJLRWEJS-UHFFFAOYSA-N 1 0 233.311 2.205 10 30 BEEERO C#C[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000166668435 166217645 /nfs/dbraw/zinc/21/76/45/166217645.db2.gz PPBSOWLHRKSMRQ-QMMMGPOBSA-N 1 0 238.674 2.360 10 30 BEEERO C#[N+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000035572260 166226258 /nfs/dbraw/zinc/22/62/58/166226258.db2.gz NEFNPXISLIAINN-CYBMUJFWSA-N 1 0 229.303 2.183 10 30 BEEERO C=CCC[C@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1 ZINC000157800088 166301206 /nfs/dbraw/zinc/30/12/06/166301206.db2.gz HWWMQXLPIUHPDK-YPMHNXCESA-N 1 0 232.327 2.157 10 30 BEEERO C=CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)C1CCCC1 ZINC000037817664 166311569 /nfs/dbraw/zinc/31/15/69/166311569.db2.gz UWIWCFCYQZDFJT-YPMHNXCESA-N 1 0 238.375 2.317 10 30 BEEERO C=CCN(CC=C)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050940634 166327865 /nfs/dbraw/zinc/32/78/65/166327865.db2.gz KJFUVMIECNAYQR-CYBMUJFWSA-N 1 0 236.359 2.109 10 30 BEEERO C=CCNC(=O)C[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000076631635 166372782 /nfs/dbraw/zinc/37/27/82/166372782.db2.gz WBLNLIDEHNYDIT-ZDUSSCGKSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000020033697 166398607 /nfs/dbraw/zinc/39/86/07/166398607.db2.gz YXSUXJJBGSKJST-UHFFFAOYSA-N 1 0 224.691 2.054 10 30 BEEERO C=CC[NH2+]CCOc1cccc(CC)c1 ZINC000003002664 166399591 /nfs/dbraw/zinc/39/95/91/166399591.db2.gz POXCAWFNOOKAMP-UHFFFAOYSA-N 1 0 205.301 2.403 10 30 BEEERO CC(C)NC(=[NH2+])N[C@H](C)c1ccc(C#N)cc1 ZINC000052040402 167035623 /nfs/dbraw/zinc/03/56/23/167035623.db2.gz LJINOXAVRTVAGK-SNVBAGLBSA-N 1 0 230.315 2.142 10 30 BEEERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(C#N)cc1N ZINC000049194819 167395891 /nfs/dbraw/zinc/39/58/91/167395891.db2.gz VHFNDBZYJGFCSP-CQSZACIVSA-N 1 0 246.358 2.139 10 30 BEEERO Cc1ccnc(N(C)CC[C@@H]([NH3+])C(C)C)c1C#N ZINC000133574261 411185701 /nfs/dbraw/zinc/18/57/01/411185701.db2.gz KJCNMGPLRCDAPQ-CYBMUJFWSA-N 1 0 246.358 2.071 10 30 BEEERO CC[NH2+]Cc1c(C)nn(CCCCC#N)c1C ZINC000049578967 170124522 /nfs/dbraw/zinc/12/45/22/170124522.db2.gz QZDLSTTZIMTAMB-UHFFFAOYSA-N 1 0 234.347 2.303 10 30 BEEERO CC[C@@](C)(O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000119384065 171178914 /nfs/dbraw/zinc/17/89/14/171178914.db2.gz LGSOKZALEHPMOG-CQSZACIVSA-N 1 0 232.327 2.151 10 30 BEEERO CC[C@H](C#N)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063129203 171219692 /nfs/dbraw/zinc/21/96/92/171219692.db2.gz IZGMYOSJRBQYKC-NWDGAFQWSA-N 1 0 229.327 2.241 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617223 171308745 /nfs/dbraw/zinc/30/87/45/171308745.db2.gz UIWZTFFOGMEMFU-LBPRGKRZSA-N 1 0 249.329 2.400 10 30 BEEERO CC[C@H](C)OCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049611106 171355192 /nfs/dbraw/zinc/35/51/92/171355192.db2.gz QHGRFPVDZQRWGI-LBPRGKRZSA-N 1 0 247.338 2.321 10 30 BEEERO CCn1c(C)[n+](CC)c2ccc(C#N)cc21 ZINC000012341513 172134208 /nfs/dbraw/zinc/13/42/08/172134208.db2.gz AIUDYCVIBLVNRE-UHFFFAOYSA-N 1 0 214.292 2.149 10 30 BEEERO C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC000075906151 173001039 /nfs/dbraw/zinc/00/10/39/173001039.db2.gz IWGJUMHBUSTSSD-UHFFFAOYSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@@H](Nc2ccccc2C#N)C1 ZINC000040673584 173022347 /nfs/dbraw/zinc/02/23/47/173022347.db2.gz DXFCWRVLNVREFA-GFCCVEGCSA-N 1 0 215.300 2.064 10 30 BEEERO C[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000075906572 173023362 /nfs/dbraw/zinc/02/33/62/173023362.db2.gz KCEATTCFAFJEFN-CYBMUJFWSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@H](Nc2ccccc2C#N)C1 ZINC000040673583 173046088 /nfs/dbraw/zinc/04/60/88/173046088.db2.gz DXFCWRVLNVREFA-LBPRGKRZSA-N 1 0 215.300 2.064 10 30 BEEERO C[N@@H+]1CC[C@H](CNc2ccc(F)cc2C#N)C1 ZINC000104417576 173146711 /nfs/dbraw/zinc/14/67/11/173146711.db2.gz BEEQMORIDQZMFJ-SNVBAGLBSA-N 1 0 233.290 2.061 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063166788 173366963 /nfs/dbraw/zinc/36/69/63/173366963.db2.gz IZFMWGYMOIXGTG-HNNXBMFYSA-N 1 0 243.354 2.132 10 30 BEEERO C[NH2+]Cc1ccc(OC)cc1OCCCCC#N ZINC000049578353 173388710 /nfs/dbraw/zinc/38/87/10/173388710.db2.gz HFBVFESRWRGOOR-UHFFFAOYSA-N 1 0 248.326 2.487 10 30 BEEERO COCCCCCCCC[NH2+]CCS ZINC000096328045 174175389 /nfs/dbraw/zinc/17/53/89/174175389.db2.gz VDOSBZMBUURAOM-UHFFFAOYSA-N 1 0 219.394 2.493 10 30 BEEERO COCCC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1C#N ZINC000062031469 174220181 /nfs/dbraw/zinc/22/01/81/174220181.db2.gz KKAQJFIZMAPTQV-RWMBFGLXSA-N 1 0 224.348 2.283 10 30 BEEERO COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000042616470 174302928 /nfs/dbraw/zinc/30/29/28/174302928.db2.gz MJCCGZGQMLPVOM-IACUBPJLSA-N 1 0 236.359 2.426 10 30 BEEERO COc1ccc(CC[NH2+]CCCC#N)cc1OC ZINC000020040430 175091391 /nfs/dbraw/zinc/09/13/91/175091391.db2.gz REZPXEWWROXICM-UHFFFAOYSA-N 1 0 248.326 2.140 10 30 BEEERO COc1ccc(CC[NH2+][C@H](C)CC#N)cc1OC ZINC000037871116 175091665 /nfs/dbraw/zinc/09/16/65/175091665.db2.gz RBGGBVILFPKEAK-LLVKDONJSA-N 1 0 248.326 2.138 10 30 BEEERO C[C@@H](C#N)CN(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902435 175596267 /nfs/dbraw/zinc/59/62/67/175596267.db2.gz WWHZFWMOLLVTEA-OUCADQQQSA-N 1 0 231.343 2.166 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1cccc(F)c1C#N ZINC000336674368 175666139 /nfs/dbraw/zinc/66/61/39/175666139.db2.gz UNFHHSKWYSGDHE-VIFPVBQESA-N 1 0 221.279 2.237 10 30 BEEERO C[C@@H](CC[NH+](C)C)NCc1cc(C#N)ccc1F ZINC000049557705 175670528 /nfs/dbraw/zinc/67/05/28/175670528.db2.gz WQLOUXIHZMEBAD-NSHDSACASA-N 1 0 249.333 2.127 10 30 BEEERO C[C@@H](S)[C@@H]1[NH2+]CCc2ccc(F)cc21 ZINC000083664474 176007085 /nfs/dbraw/zinc/00/70/85/176007085.db2.gz BJHWKRRPRARMDG-HQJQHLMTSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049615222 176109500 /nfs/dbraw/zinc/10/95/00/176109500.db2.gz MQNHPZKNMQAGBC-CYBMUJFWSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049613633 176176192 /nfs/dbraw/zinc/17/61/92/176176192.db2.gz RFGBAOPGUMXSTG-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@]1(C)C[NH3+] ZINC000310957654 176319816 /nfs/dbraw/zinc/31/98/16/176319816.db2.gz BDSRLACTGZUVBF-QMTHXVAHSA-N 1 0 247.317 2.118 10 30 BEEERO C[C@@H]([NH3+])c1ccccc1N(C)C[C@H](C)C#N ZINC000042455620 176552373 /nfs/dbraw/zinc/55/23/73/176552373.db2.gz CIYIURWEHXHQMQ-GHMZBOCLSA-N 1 0 217.316 2.302 10 30 BEEERO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127440443 176633030 /nfs/dbraw/zinc/63/30/30/176633030.db2.gz PUUVAYQTPKUAIW-NXEZZACHSA-N 1 0 238.356 2.289 10 30 BEEERO C[C@H](CN[C@@H](CC#N)c1ccccc1)[NH+](C)C ZINC000055018792 176683394 /nfs/dbraw/zinc/68/33/94/176683394.db2.gz DTSVIPAAJJTWPA-OCCSQVGLSA-N 1 0 231.343 2.181 10 30 BEEERO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCC/C(N)=N/O ZINC000042607868 177081321 /nfs/dbraw/zinc/08/13/21/177081321.db2.gz ZXZSVHAIGOSCFL-RYUDHWBXSA-N 1 0 241.379 2.414 10 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249.383 2.194 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000249032843 325633728 /nfs/dbraw/zinc/63/37/28/325633728.db2.gz RPBQNNDCSMOGOH-ZOBORPQBSA-N 1 0 236.359 2.209 10 30 BEEERO C=CC1CCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000154897106 326170774 /nfs/dbraw/zinc/17/07/74/326170774.db2.gz GBDQIFFIGHYUDG-CYBMUJFWSA-N 1 0 238.375 2.141 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000408464188 487556325 /nfs/dbraw/zinc/55/63/25/487556325.db2.gz FUVSRTKMIMBAMU-MJBXVCDLSA-N 1 0 236.359 2.209 10 30 BEEERO Cc1ccoc1CS[C@@H](C)[C@@H](N)C#N ZINC000757163145 582545475 /nfs/dbraw/zinc/54/54/75/582545475.db2.gz CLIBKIUMPFIQHZ-IUCAKERBSA-N 1 0 210.302 2.061 10 30 BEEERO C=CC[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000116927329 534351965 /nfs/dbraw/zinc/35/19/65/534351965.db2.gz JJKYGQQHTKFMEB-LBPRGKRZSA-N 1 0 242.326 2.322 10 30 BEEERO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127834871 534355047 /nfs/dbraw/zinc/35/50/47/534355047.db2.gz CPJGTUAPVZQKSJ-NWDGAFQWSA-N 1 0 221.348 2.153 10 30 BEEERO C=CCOc1ccc(C[NH2+]CCCCO)cc1 ZINC000006312983 519034399 /nfs/dbraw/zinc/03/43/99/519034399.db2.gz MYEBABLGMCVCMC-UHFFFAOYSA-N 1 0 235.327 2.114 10 30 BEEERO C=C(Cl)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023454 534440745 /nfs/dbraw/zinc/44/07/45/534440745.db2.gz QAPCXFKALIISNV-NEPJUHHUSA-N 1 0 229.751 2.366 10 30 BEEERO CC(C)(C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263271105 534663618 /nfs/dbraw/zinc/66/36/18/534663618.db2.gz OZLPETAXSGINSH-JTQLQIEISA-N 1 0 223.364 2.412 10 30 BEEERO C=CCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000177141846 534667485 /nfs/dbraw/zinc/66/74/85/534667485.db2.gz UIONOZPUGBBLGZ-OLZOCXBDSA-N 1 0 238.375 2.188 10 30 BEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)OCCC ZINC000121734440 534714001 /nfs/dbraw/zinc/71/40/01/534714001.db2.gz HLLGGTVFTSKWTK-LLVKDONJSA-N 1 0 213.321 2.226 10 30 BEEERO COc1ccc(CC[NH+]2CCC(=NO)CC2)cc1 ZINC000109450690 523949256 /nfs/dbraw/zinc/94/92/56/523949256.db2.gz LOQZQLNBCOXCCP-UHFFFAOYSA-N 1 0 248.326 2.164 10 30 BEEERO C=CCCC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262340288 534760774 /nfs/dbraw/zinc/76/07/74/534760774.db2.gz GTVCYUYNCSUQFI-AVGNSLFASA-N 1 0 238.375 2.236 10 30 BEEERO ON=C(c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000255003860 527643452 /nfs/dbraw/zinc/64/34/52/527643452.db2.gz DAQWROFRHWHKFE-UHFFFAOYSA-N 1 0 240.253 2.143 10 30 BEEERO CC(C)NC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262646653 535125937 /nfs/dbraw/zinc/12/59/37/535125937.db2.gz JGTZGOZPYYMICP-UHFFFAOYSA-N 1 0 237.269 2.032 10 30 BEEERO CC[NH+]=C(NCC1CCC1)N[C@@H](C)C(C)C ZINC000263111586 535260748 /nfs/dbraw/zinc/26/07/48/535260748.db2.gz DWHJCROZHHTHQF-NSHDSACASA-N 1 0 225.380 2.386 10 30 BEEERO CC(C)[NH+]=C(NCCc1ccco1)N[C@@H]1C[C@@H]1C ZINC000262647924 535338701 /nfs/dbraw/zinc/33/87/01/535338701.db2.gz IZAFWKJPDYVFTR-WCQYABFASA-N 1 0 249.358 2.174 10 30 BEEERO C[C@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CCCCC#N ZINC000757132992 582508836 /nfs/dbraw/zinc/50/88/36/582508836.db2.gz SIFCUJMVFFMROK-KGLIPLIRSA-N 1 0 235.375 2.287 10 30 BEEERO [NH3+]C1(CCC=O)CC(OCc2ccccc2)C1 ZINC000757171650 582551271 /nfs/dbraw/zinc/55/12/71/582551271.db2.gz HLZKWOYLNIGLEV-UHFFFAOYSA-N 1 0 233.311 2.042 10 30 BEEERO C#CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000121211907 589517838 /nfs/dbraw/zinc/51/78/38/589517838.db2.gz LGNARJBLENGEFE-CHWSQXEVSA-N 1 0 221.344 2.289 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(C)CC1 ZINC000121647135 589524016 /nfs/dbraw/zinc/52/40/16/589524016.db2.gz NWLODLUQTBZQPK-LBPRGKRZSA-N 1 0 237.343 2.063 10 30 BEEERO CC1(CNC(=[NH2+])N2CCCCCC2)CCC1 ZINC000126104230 590230555 /nfs/dbraw/zinc/23/05/55/590230555.db2.gz JOQJVQXYLJZNMX-UHFFFAOYSA-N 1 0 223.364 2.367 10 30 BEEERO CC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000126275342 590263160 /nfs/dbraw/zinc/26/31/60/590263160.db2.gz VYGHQUCXSUOTKI-LLVKDONJSA-N 1 0 218.300 2.429 10 30 BEEERO C=CC[N@@H+](C)C[C@@H](O)c1ccccc1C ZINC000127140927 590575516 /nfs/dbraw/zinc/57/55/16/590575516.db2.gz MUKIKBNQOWXJRQ-CYBMUJFWSA-N 1 0 205.301 2.146 10 30 BEEERO C=CC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000210836144 591006346 /nfs/dbraw/zinc/00/63/46/591006346.db2.gz FCJFYXCQVUCDHQ-UONOGXRCSA-N 1 0 217.312 2.370 10 30 BEEERO CC(C)(CNC(=[NH2+])NC1CC1)C1CCCC1 ZINC000133335852 591787839 /nfs/dbraw/zinc/78/78/39/591787839.db2.gz CUJBAWQZYBTTJS-UHFFFAOYSA-N 1 0 223.364 2.270 10 30 BEEERO C[C@@H](CC#N)[NH2+]CCSC(F)(F)F ZINC000219413926 592223919 /nfs/dbraw/zinc/22/39/19/592223919.db2.gz NGLCVSIDILQLIQ-LURJTMIESA-N 1 0 212.240 2.131 10 30 BEEERO C#CCCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000300409567 592511694 /nfs/dbraw/zinc/51/16/94/592511694.db2.gz IUDMLGQUSYOAIU-CABCVRRESA-N 1 0 234.387 2.349 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000104162340 592602543 /nfs/dbraw/zinc/60/25/43/592602543.db2.gz CBRNQJORSBHORO-QWHCGFSZSA-N 1 0 229.327 2.023 10 30 BEEERO CCCCCCNC(=[NH2+])NCc1cccc(C)n1 ZINC000104170976 592603510 /nfs/dbraw/zinc/60/35/10/592603510.db2.gz UGTYWNAZZYYNNJ-UHFFFAOYSA-N 1 0 248.374 2.375 10 30 BEEERO CCCCCCCCC(=O)NC[C@H](C)[NH2+]C ZINC000232916699 635519588 /nfs/dbraw/zinc/51/95/88/635519588.db2.gz MNHKJXPNLABKNW-LBPRGKRZSA-N 1 0 228.380 2.461 10 30 BEEERO CCCCOCC[NH2+]CC#Cc1ccccc1 ZINC000051814234 631936991 /nfs/dbraw/zinc/93/69/91/631936991.db2.gz NXBVTNPPAJNNOT-UHFFFAOYSA-N 1 0 231.339 2.444 10 30 BEEERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1O ZINC000158763196 632482291 /nfs/dbraw/zinc/48/22/91/632482291.db2.gz JBAYUSUQCVEVKZ-AAEUAGOBSA-N 1 0 230.311 2.483 10 30 BEEERO COc1ccc([C@H](C)C[NH2+]CCC#N)cc1 ZINC000309862011 633875413 /nfs/dbraw/zinc/87/54/13/633875413.db2.gz NBGDDSDHDFKFAB-LLVKDONJSA-N 1 0 218.300 2.302 10 30 BEEERO CC(C)OCCCNC(=[NH2+])NC1CCCCC1 ZINC000104153724 634233927 /nfs/dbraw/zinc/23/39/27/634233927.db2.gz RQEUNPZMQJWDGS-UHFFFAOYSA-N 1 0 241.379 2.039 10 30 BEEERO CC(C)([NH3+])CCNc1ccc(C#N)cc1 ZINC000258738042 635192237 /nfs/dbraw/zinc/19/22/37/635192237.db2.gz NBJQRMNSUUREKN-UHFFFAOYSA-N 1 0 203.289 2.098 10 30 BEEERO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061891587 641004587 /nfs/dbraw/zinc/00/45/87/641004587.db2.gz PHGVDQAITQYFQP-MFKMUULPSA-N 1 0 246.310 2.183 10 30 BEEERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000313024286 641527062 /nfs/dbraw/zinc/52/70/62/641527062.db2.gz PCCHXKHTVSMOCX-WOPDTQHZSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313279666 642497335 /nfs/dbraw/zinc/49/73/35/642497335.db2.gz IAFFPVKBQRYOGH-KBPBESRZSA-N 1 0 236.359 2.475 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000083188770 643527982 /nfs/dbraw/zinc/52/79/82/643527982.db2.gz IHHHCYNOJZMYQW-UHFFFAOYSA-N 1 0 223.703 2.462 10 30 BEEERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000050373705 643690514 /nfs/dbraw/zinc/69/05/14/643690514.db2.gz FHHGOMHEOLBSOC-KBPBESRZSA-N 1 0 248.301 2.354 10 30 BEEERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000050373701 643690928 /nfs/dbraw/zinc/69/09/28/643690928.db2.gz HUTAUTMNMQLHAP-KBPBESRZSA-N 1 0 248.301 2.354 10 30 BEEERO CC(C)([NH3+])CCNc1ccc(C#N)cc1F ZINC000304630760 643781133 /nfs/dbraw/zinc/78/11/33/643781133.db2.gz QPHFQXAEDKEKTG-UHFFFAOYSA-N 1 0 221.279 2.237 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(F)cc1C#N ZINC000111027480 643809014 /nfs/dbraw/zinc/80/90/14/643809014.db2.gz AVNQIHILBJXCQP-ZDUSSCGKSA-N 1 0 247.317 2.276 10 30 BEEERO Cc1ccc([C@H](C)[NH2+]CCO[C@H](C)C#N)o1 ZINC000304277016 644883955 /nfs/dbraw/zinc/88/39/55/644883955.db2.gz WQFLCVMBAIEOET-MNOVXSKESA-N 1 0 222.288 2.167 10 30 BEEERO CC(C)([NH3+])CCNc1cccc(F)c1C#N ZINC000304624150 644922265 /nfs/dbraw/zinc/92/22/65/644922265.db2.gz POZSOCNDNHPJIM-UHFFFAOYSA-N 1 0 221.279 2.237 10 30 BEEERO COC[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000045696709 711827058 /nfs/dbraw/zinc/82/70/58/711827058.db2.gz BWGHOOSIJBJKSJ-SNVBAGLBSA-N 1 0 236.290 2.069 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1CC[NH3+] ZINC000723914927 711544966 /nfs/dbraw/zinc/54/49/66/711544966.db2.gz IQNAYAFJLLYINI-ZYHUDNBSSA-N 1 0 247.317 2.118 10 30 BEEERO CC(C)C1([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721573807 711649906 /nfs/dbraw/zinc/64/99/06/711649906.db2.gz YKMJJXSNCGQDBT-UHFFFAOYSA-N 1 0 215.300 2.231 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709932258 712233325 /nfs/dbraw/zinc/23/33/25/712233325.db2.gz IJPCFDPJLJTRIT-PWSUYJOCSA-N 1 0 235.356 2.358 10 30 BEEERO C#CCC[NH2+]Cc1cc(COC)cs1 ZINC000709941964 712234116 /nfs/dbraw/zinc/23/41/16/712234116.db2.gz FZKWMKZKCRUNFY-UHFFFAOYSA-N 1 0 209.314 2.007 10 30 BEEERO Cc1cc(N(C)CCCCCC[NH3+])cc(C#N)n1 ZINC000710819457 712257618 /nfs/dbraw/zinc/25/76/18/712257618.db2.gz RVFPGYDUBGKLTG-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C#N)cn1 ZINC000042323143 712720562 /nfs/dbraw/zinc/72/05/62/712720562.db2.gz UBHOHZMUTRYFRM-ZDUSSCGKSA-N 1 0 246.358 2.341 10 30 BEEERO C[C@H](CC#N)[NH2+]CCc1cccc(F)c1 ZINC000037871480 712777744 /nfs/dbraw/zinc/77/77/44/712777744.db2.gz IGMNFASGJGMZOI-SNVBAGLBSA-N 1 0 206.264 2.260 10 30 BEEERO C=CCNC(=O)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000133321417 1166189803 /nfs/dbraw/zinc/18/98/03/1166189803.db2.gz SFKSSCJNJMZPDV-LBPRGKRZSA-N 1 0 238.375 2.237 10 30 BEEERO CSC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000127470301 1167403853 /nfs/dbraw/zinc/40/38/53/1167403853.db2.gz KCUGBBGSWSIQBQ-GFCCVEGCSA-N 1 0 219.353 2.379 10 30 BEEERO C=CCCC[C@H](C)[NH2+]Cc1nccn1C ZINC000133577036 1167517438 /nfs/dbraw/zinc/51/74/38/1167517438.db2.gz MWZWVVCTENPWNP-NSHDSACASA-N 1 0 207.321 2.255 10 30 BEEERO C=C[C@@H](C)OCC(F)(F)CNC(C)C ZINC000685956006 538901899 /nfs/dbraw/zinc/90/18/99/538901899.db2.gz IJXYMPFCAVCORM-SECBINFHSA-N 1 0 207.264 2.211 10 30 BEEERO C=C(COCCC)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960378 538907691 /nfs/dbraw/zinc/90/76/91/538907691.db2.gz HYGXZBZMEVTVKI-UHFFFAOYSA-N 1 0 247.338 2.328 10 30 BEEERO C[C@@H](C#N)CN(C)CC#Cc1ccccc1 ZINC000051814463 136209889 /nfs/dbraw/zinc/20/98/89/136209889.db2.gz IDMCCBIZVUYWOC-ZDUSSCGKSA-N 1 0 212.296 2.130 10 30 BEEERO C=C([C@H]([NH3+])c1cccnc1)C(F)(F)F ZINC000306261381 398138587 /nfs/dbraw/zinc/13/85/87/398138587.db2.gz WAWZKKHGSOVSJE-QMMMGPOBSA-N 1 0 202.179 2.200 10 30 BEEERO C=CCOc1ccccc1C[NH2+][C@H](CC)CO ZINC000006542152 136214680 /nfs/dbraw/zinc/21/46/80/136214680.db2.gz CYITVNKEMYVHFY-CYBMUJFWSA-N 1 0 235.327 2.112 10 30 BEEERO CCCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000192137367 136220939 /nfs/dbraw/zinc/22/09/39/136220939.db2.gz NSLIQUOYBFSZTG-ZIAGYGMSSA-N 1 0 243.391 2.165 10 30 BEEERO Cc1ccc(C#N)cc1NC1CC[NH2+]CC1 ZINC000050430027 178367637 /nfs/dbraw/zinc/36/76/37/178367637.db2.gz HSANIXVBULTGPM-UHFFFAOYSA-N 1 0 215.300 2.031 10 30 BEEERO Cc1ccc(C#N)c(NC(C)(C)C[NH3+])c1 ZINC000063020924 178363074 /nfs/dbraw/zinc/36/30/74/178363074.db2.gz XEIJZUFDZQMRAH-UHFFFAOYSA-N 1 0 203.289 2.016 10 30 BEEERO Cc1ccc(C#N)c(N[C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000063214331 178365196 /nfs/dbraw/zinc/36/51/96/178365196.db2.gz ZSQNLYXGRIQXBU-CHWSQXEVSA-N 1 0 244.342 2.334 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000320188721 342733017 /nfs/dbraw/zinc/73/30/17/342733017.db2.gz ZWXMMWKRKDUXLY-BDAKNGLRSA-N 1 0 248.286 2.004 10 30 BEEERO C=CCC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000381317610 538998022 /nfs/dbraw/zinc/99/80/22/538998022.db2.gz NPQIBQKRQUCMNW-NEPJUHHUSA-N 1 0 219.332 2.142 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000381317612 538998398 /nfs/dbraw/zinc/99/83/98/538998398.db2.gz NPQIBQKRQUCMNW-RYUDHWBXSA-N 1 0 219.332 2.142 10 30 BEEERO C[C@H](C[NH3+])Nc1ccc(C(F)(F)F)cc1C#N ZINC000111302834 398302882 /nfs/dbraw/zinc/30/28/82/398302882.db2.gz GKUDVEIVDQIBBP-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO [NH2+]=C(Cc1cccc(Cl)c1)NC1CC1 ZINC000059925583 342875830 /nfs/dbraw/zinc/87/58/30/342875830.db2.gz PUCKEGPRADUDDC-UHFFFAOYSA-N 1 0 208.692 2.402 10 30 BEEERO N#Cc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000057998306 398321262 /nfs/dbraw/zinc/32/12/62/398321262.db2.gz GLEYENNFQGFDHA-UHFFFAOYSA-N 1 0 212.252 2.441 10 30 BEEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000133140436 398322920 /nfs/dbraw/zinc/32/29/20/398322920.db2.gz MBCAQWSWRQJAOQ-SECBINFHSA-N 1 0 227.105 2.420 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CCCOC ZINC000034990898 358452209 /nfs/dbraw/zinc/45/22/09/358452209.db2.gz RWQPZFNHURXHKB-UHFFFAOYSA-N 1 0 235.327 2.378 10 30 BEEERO C[N@H+](CCc1ccncc1)[C@H]1CCC[C@@H]1C#N ZINC000048260069 343054885 /nfs/dbraw/zinc/05/48/85/343054885.db2.gz JBUWEPFCBUPOBE-KGLIPLIRSA-N 1 0 229.327 2.248 10 30 BEEERO CC[N@@H+]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 ZINC000043395625 343062723 /nfs/dbraw/zinc/06/27/23/343062723.db2.gz CDOWFZQBPNMJHZ-ZDUSSCGKSA-N 1 0 244.342 2.158 10 30 BEEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1CCCF ZINC000584883484 343086210 /nfs/dbraw/zinc/08/62/10/343086210.db2.gz PLRWPPPWZSGQAU-UWVGGRQHSA-N 1 0 201.285 2.034 10 30 BEEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1CCCF ZINC000584883483 343086217 /nfs/dbraw/zinc/08/62/17/343086217.db2.gz PLRWPPPWZSGQAU-NXEZZACHSA-N 1 0 201.285 2.034 10 30 BEEERO Cc1nc(N[C@@H](C)[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000394454307 259354812 /nfs/dbraw/zinc/35/48/12/259354812.db2.gz QOBGIQNYIHTLTK-BQBZGAKWSA-N 1 0 238.722 2.063 10 30 BEEERO Cc1nc(N(C)CC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000311231737 136275939 /nfs/dbraw/zinc/27/59/39/136275939.db2.gz GARZBICFFYZUHN-CYBMUJFWSA-N 1 0 246.358 2.071 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310163724 343358143 /nfs/dbraw/zinc/35/81/43/343358143.db2.gz RBCOXDSQJDYLEM-KBPBESRZSA-N 1 0 236.359 2.475 10 30 BEEERO C#CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000147187809 343345567 /nfs/dbraw/zinc/34/55/67/343345567.db2.gz LXRTVYQBCOTGNM-CYBMUJFWSA-N 1 0 230.267 2.147 10 30 BEEERO N#Cc1ccc(OCC2([NH3+])CCCC2)cc1 ZINC000070876163 343518399 /nfs/dbraw/zinc/51/83/99/343518399.db2.gz OPMUVZVWTTWUDJ-UHFFFAOYSA-N 1 0 216.284 2.209 10 30 BEEERO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251099381 343561168 /nfs/dbraw/zinc/56/11/68/343561168.db2.gz QWSLRFXAJDPURM-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]1c2ccsc2CC[N@H+]1CCC=O ZINC000062540733 343742665 /nfs/dbraw/zinc/74/26/65/343742665.db2.gz FXQIPSXZGQZRGN-SECBINFHSA-N 1 0 209.314 2.256 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CC[C@H]2C[C@H]21 ZINC000306264650 343758320 /nfs/dbraw/zinc/75/83/20/343758320.db2.gz CMCLSZOSAMAIBH-DJLDLDEBSA-N 1 0 216.122 2.283 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CCc2sccc2C1 ZINC000051175511 346975366 /nfs/dbraw/zinc/97/53/66/346975366.db2.gz SJFIRZTZYSQDEU-UHFFFAOYSA-N 1 0 223.341 2.331 10 30 BEEERO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)OC ZINC000393463346 343878176 /nfs/dbraw/zinc/87/81/76/343878176.db2.gz BVINYUSVBAVCLW-UPJWGTAASA-N 1 0 224.348 2.473 10 30 BEEERO C#CC[C@H]([NH3+])c1coc(Br)c1 ZINC000306999952 343897559 /nfs/dbraw/zinc/89/75/59/343897559.db2.gz BPDHTJIREYJRGJ-ZETCQYMHSA-N 1 0 214.062 2.065 10 30 BEEERO C#C[C@H]([NH2+]C)c1cc(Br)oc1C ZINC000307562807 343940422 /nfs/dbraw/zinc/94/04/22/343940422.db2.gz BPNAAYUFXUQQGD-QMMMGPOBSA-N 1 0 228.089 2.244 10 30 BEEERO C#CC[C@@H]([NH3+])c1ccoc1Br ZINC000236316167 344355168 /nfs/dbraw/zinc/35/51/68/344355168.db2.gz NLXDVRPLYWXXFN-SSDOTTSWSA-N 1 0 214.062 2.065 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCO1 ZINC000054825179 344457051 /nfs/dbraw/zinc/45/70/51/344457051.db2.gz LQBOHJZSPYTTJS-UMSGYPCISA-N 1 0 222.332 2.226 10 30 BEEERO CC[NH+](CC)CCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054824027 344457474 /nfs/dbraw/zinc/45/74/74/344457474.db2.gz KFVFKGHIRQHZMZ-ZIAGYGMSSA-N 1 0 237.391 2.390 10 30 BEEERO CC[NH+](CC)CCCN[C@H]1CCCC[C@H]1C#N ZINC000054824030 344457680 /nfs/dbraw/zinc/45/76/80/344457680.db2.gz KFVFKGHIRQHZMZ-KBPBESRZSA-N 1 0 237.391 2.390 10 30 BEEERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)OC ZINC000381175118 344482306 /nfs/dbraw/zinc/48/23/06/344482306.db2.gz CYQYKVAZNGNWHR-RNJOBUHISA-N 1 0 224.348 2.329 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000135497485 344488606 /nfs/dbraw/zinc/48/86/06/344488606.db2.gz KBSRQOYOLBYTKJ-UWVGGRQHSA-N 1 0 236.340 2.013 10 30 BEEERO C[C@@H]([NH3+])C#Cc1cccc(Br)c1F ZINC000235147534 344813412 /nfs/dbraw/zinc/81/34/12/344813412.db2.gz PKYVJMPITOBGSL-SSDOTTSWSA-N 1 0 242.091 2.287 10 30 BEEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000044493022 345095753 /nfs/dbraw/zinc/09/57/53/345095753.db2.gz OYPKLGDYZRKBOG-NSHDSACASA-N 1 0 233.290 2.251 10 30 BEEERO CC#CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156478555 345163946 /nfs/dbraw/zinc/16/39/46/345163946.db2.gz SOVCHFDFOKSDBB-KGLIPLIRSA-N 1 0 221.344 2.027 10 30 BEEERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000300214669 345338715 /nfs/dbraw/zinc/33/87/15/345338715.db2.gz ULAFTRGBZIMZMX-WUHRBBMRSA-N 1 0 222.332 2.226 10 30 BEEERO Cc1ccc([C@@H]2CN(CCCC#N)CCO2)o1 ZINC000158942077 345390292 /nfs/dbraw/zinc/39/02/92/345390292.db2.gz JXNBGPQHVXMUBT-ZDUSSCGKSA-N 1 0 234.299 2.265 10 30 BEEERO CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)OC ZINC000378813576 345604720 /nfs/dbraw/zinc/60/47/20/345604720.db2.gz IVFFELMEMHXULM-UTUOFQBUSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921459 345714418 /nfs/dbraw/zinc/71/44/18/345714418.db2.gz CVCULQPVWGKGII-SJHCENCUSA-N 1 0 204.317 2.457 10 30 BEEERO CC(C)COCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000158871055 345720523 /nfs/dbraw/zinc/72/05/23/345720523.db2.gz VRHSJJOVDFVSLT-CHWSQXEVSA-N 1 0 224.348 2.331 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000164063631 345778345 /nfs/dbraw/zinc/77/83/45/345778345.db2.gz BJCBDUNPNVSCSL-VHSXEESVSA-N 1 0 248.164 2.178 10 30 BEEERO C[C@@H]([NH3+])C#Cc1cc(Br)ccc1F ZINC000167002180 346179010 /nfs/dbraw/zinc/17/90/10/346179010.db2.gz XRUBBPWSPZJCRC-SSDOTTSWSA-N 1 0 242.091 2.287 10 30 BEEERO COc1ccc(C#C[C@@H](C)[NH3+])cc1Cl ZINC000167016972 346183319 /nfs/dbraw/zinc/18/33/19/346183319.db2.gz FBFXVXRSQKMKAH-MRVPVSSYSA-N 1 0 209.676 2.047 10 30 BEEERO Cc1nc(C#N)sc1[C@H]1CC[NH2+][C@H](C)C1 ZINC000669379556 537979770 /nfs/dbraw/zinc/97/97/70/537979770.db2.gz FIRNMFVCDVHBFE-APPZFPTMSA-N 1 0 221.329 2.179 10 30 BEEERO C#CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020033289 187370408 /nfs/dbraw/zinc/37/04/08/187370408.db2.gz KFAFXDIAKIZXSX-UHFFFAOYSA-N 1 0 229.201 2.308 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000169237347 346757394 /nfs/dbraw/zinc/75/73/94/346757394.db2.gz FMHGWPNNZFDDSS-SECBINFHSA-N 1 0 228.064 2.221 10 30 BEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)o1 ZINC000123396122 347138847 /nfs/dbraw/zinc/13/88/47/347138847.db2.gz RKMMZHYXVMARPP-GFCCVEGCSA-N 1 0 247.342 2.067 10 30 BEEERO N#Cc1ccccc1O[C@H]1CC[C@H]([NH3+])CC1 ZINC000299891271 347149011 /nfs/dbraw/zinc/14/90/11/347149011.db2.gz LTEMWCFRFHNACF-HAQNSBGRSA-N 1 0 216.284 2.207 10 30 BEEERO COC1(CC[NH2+][C@H]2CCC[C@H]2C#N)CCC1 ZINC000310537568 347293741 /nfs/dbraw/zinc/29/37/41/347293741.db2.gz BCRFCWWLUGMBPN-RYUDHWBXSA-N 1 0 222.332 2.227 10 30 BEEERO C=CC1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000111258789 347472860 /nfs/dbraw/zinc/47/28/60/347472860.db2.gz VSOLHBIOENNXNU-UHFFFAOYSA-N 1 0 238.375 2.189 10 30 BEEERO C=CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000036904511 347969780 /nfs/dbraw/zinc/96/97/80/347969780.db2.gz DTDVSPIWKNCVRR-OAHLLOKOSA-N 1 0 230.355 2.427 10 30 BEEERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H](C)C#N ZINC000043037071 179327448 /nfs/dbraw/zinc/32/74/48/179327448.db2.gz UJQDBNHEKQBPDX-CORIIIEPSA-N 1 0 245.370 2.475 10 30 BEEERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H](C)C#N ZINC000043037073 179346351 /nfs/dbraw/zinc/34/63/51/179346351.db2.gz UJQDBNHEKQBPDX-WHOFXGATSA-N 1 0 245.370 2.475 10 30 BEEERO C=CCCSCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000594719025 348107428 /nfs/dbraw/zinc/10/74/28/348107428.db2.gz YOTJMRLICQDUHN-VXGBXAGGSA-N 1 0 229.389 2.189 10 30 BEEERO C[C@@H]1C[NH+]=C(Nc2ccc3c(c2)CCCC3)N1 ZINC000169331977 187390051 /nfs/dbraw/zinc/39/00/51/187390051.db2.gz PSGFPJKVTYEEKR-SNVBAGLBSA-N 1 0 229.327 2.134 10 30 BEEERO C=CCC(CC=C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177101855 187391146 /nfs/dbraw/zinc/39/11/46/187391146.db2.gz BBWPLLGMEROGGQ-CQSZACIVSA-N 1 0 248.370 2.061 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000595481360 348252622 /nfs/dbraw/zinc/25/26/22/348252622.db2.gz GESPKOKIAMKSIK-HZSPNIEDSA-N 1 0 236.359 2.473 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000595689258 348314775 /nfs/dbraw/zinc/31/47/75/348314775.db2.gz KSWUBDBLXDPXIM-MGPQQGTHSA-N 1 0 236.359 2.473 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000595689250 348314784 /nfs/dbraw/zinc/31/47/84/348314784.db2.gz KSRQRLMVSBBSEE-WCQYABFASA-N 1 0 222.332 2.227 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000595690059 348315938 /nfs/dbraw/zinc/31/59/38/348315938.db2.gz POAAZBBEKIEKOZ-DCAQKATOSA-N 1 0 244.285 2.083 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597196383 348673250 /nfs/dbraw/zinc/67/32/50/348673250.db2.gz RZJRIEKPYHZZRW-RFQIPJPRSA-N 1 0 234.343 2.226 10 30 BEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCC(C)(C)C#N ZINC000399242534 323201180 /nfs/dbraw/zinc/20/11/80/323201180.db2.gz MQQWLYCJOHKTNZ-NWDGAFQWSA-N 1 0 224.348 2.162 10 30 BEEERO C[C@@H](CC[NH2+]CC(C)(C)CCC#N)[S@](C)=O ZINC000132573153 191034362 /nfs/dbraw/zinc/03/43/62/191034362.db2.gz SANVCURCVMRJHG-MEDUHNTESA-N 1 0 244.404 2.063 10 30 BEEERO N#Cc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051815460 350136181 /nfs/dbraw/zinc/13/61/81/350136181.db2.gz BYEDMVXDRSHPCF-CQSZACIVSA-N 1 0 230.311 2.074 10 30 BEEERO OC[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC000365272657 350201167 /nfs/dbraw/zinc/20/11/67/350201167.db2.gz XVWAOMBEMIQLAO-MRXNPFEDSA-N 1 0 243.350 2.133 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000320188727 350586223 /nfs/dbraw/zinc/58/62/23/350586223.db2.gz ZWXMMWKRKDUXLY-IUCAKERBSA-N 1 0 248.286 2.004 10 30 BEEERO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000125325536 350732919 /nfs/dbraw/zinc/73/29/19/350732919.db2.gz REWJFTSTCWHLQK-QWHCGFSZSA-N 1 0 209.333 2.500 10 30 BEEERO N#Cc1ccc([C@H]2CCCC[N@@H+](CCO)C2)cc1 ZINC000616603204 350789046 /nfs/dbraw/zinc/78/90/46/350789046.db2.gz CRGSBMWFFPECAQ-HNNXBMFYSA-N 1 0 244.338 2.120 10 30 BEEERO Cc1ccc(Cl)c(NC(N)=[NH2+])c1Cl ZINC000052091849 350917232 /nfs/dbraw/zinc/91/72/32/350917232.db2.gz QFNJWLRTAZXSDC-UHFFFAOYSA-N 1 0 218.087 2.207 10 30 BEEERO C#Cc1nc(C[NH2+]C(C)(C)C)sc1C ZINC000159708785 350980866 /nfs/dbraw/zinc/98/08/66/350980866.db2.gz WZCANBVMKNWRIO-UHFFFAOYSA-N 1 0 208.330 2.321 10 30 BEEERO CCCCCCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000106208978 168652239 /nfs/dbraw/zinc/65/22/39/168652239.db2.gz JXXSJRNJJUTLGV-LBPRGKRZSA-N 1 0 228.380 2.446 10 30 BEEERO C=C(CS)C[NH+]1Cc2ccccc2C1 ZINC000231631320 350988835 /nfs/dbraw/zinc/98/88/35/350988835.db2.gz ZIWHJKJEHKJLAJ-UHFFFAOYSA-N 1 0 205.326 2.488 10 30 BEEERO C#CC[C@H]([NH2+]C)c1coc(Br)c1 ZINC000306810273 351063764 /nfs/dbraw/zinc/06/37/64/351063764.db2.gz UDEMZLPDXVXPBY-QMMMGPOBSA-N 1 0 228.089 2.326 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccccc2C#N)C1 ZINC000616632062 351109865 /nfs/dbraw/zinc/10/98/65/351109865.db2.gz KWGGEFZQRGWHLG-CQSZACIVSA-N 1 0 243.354 2.303 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc(C#N)c2)C1 ZINC000616632641 351112227 /nfs/dbraw/zinc/11/22/27/351112227.db2.gz USEAGHRFBDZRRT-CQSZACIVSA-N 1 0 243.354 2.303 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCCC[N@H+]1CCO ZINC000616624056 351090897 /nfs/dbraw/zinc/09/08/97/351090897.db2.gz WBBMMDAOFUEFJS-OAHLLOKOSA-N 1 0 244.338 2.468 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCC[N@@H+](CCO)C1 ZINC000616629064 351099234 /nfs/dbraw/zinc/09/92/34/351099234.db2.gz NXBTWOTUCYZBGB-AWEZNQCLSA-N 1 0 244.338 2.120 10 30 BEEERO CC(C)[N@@H+]1CCOC[C@H](c2ccc(C#N)cc2)C1 ZINC000616661460 351209734 /nfs/dbraw/zinc/20/97/34/351209734.db2.gz SIOYHZGLBRVRKX-OAHLLOKOSA-N 1 0 244.338 2.382 10 30 BEEERO C=C(Br)CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196187 351275090 /nfs/dbraw/zinc/27/50/90/351275090.db2.gz VYIZUWUNXHPNNT-ZJUUUORDSA-N 1 0 247.180 2.097 10 30 BEEERO C=C(Br)CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196189 351275122 /nfs/dbraw/zinc/27/51/22/351275122.db2.gz VYIZUWUNXHPNNT-NXEZZACHSA-N 1 0 247.180 2.097 10 30 BEEERO C=C(Br)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063196186 351275137 /nfs/dbraw/zinc/27/51/37/351275137.db2.gz VYIZUWUNXHPNNT-UWVGGRQHSA-N 1 0 247.180 2.097 10 30 BEEERO CC(C)=CC(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000168238579 351348153 /nfs/dbraw/zinc/34/81/53/351348153.db2.gz CCQLFOQJFPSFEG-YOGCLGLASA-N 1 0 207.317 2.395 10 30 BEEERO Cc1ccc(C#N)c(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000133645322 351433935 /nfs/dbraw/zinc/43/39/35/351433935.db2.gz XOLYYJRGSLGCNM-CYBMUJFWSA-N 1 0 246.358 2.071 10 30 BEEERO Cn1cc([C@@H]2CCC[N@@H+]2CC2(CC#N)CC2)cn1 ZINC000386887185 363057478 /nfs/dbraw/zinc/05/74/78/363057478.db2.gz XJFNLPHYGWPTLY-ZDUSSCGKSA-N 1 0 244.342 2.251 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320865669 323591751 /nfs/dbraw/zinc/59/17/51/323591751.db2.gz NKARMYIKYMWKHN-ONGXEEELSA-N 1 0 232.331 2.108 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000638454487 352263930 /nfs/dbraw/zinc/26/39/30/352263930.db2.gz HKSBLVPQGOFOAH-NEPJUHHUSA-N 1 0 238.375 2.093 10 30 BEEERO C=CC(C)(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638454865 352264536 /nfs/dbraw/zinc/26/45/36/352264536.db2.gz MRCVLPFIXSYWIR-GFCCVEGCSA-N 1 0 238.375 2.095 10 30 BEEERO C=CC(C)(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000638455329 352265394 /nfs/dbraw/zinc/26/53/94/352265394.db2.gz UVGKAHNWXGWPIS-UHFFFAOYSA-N 1 0 238.375 2.222 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000411317636 191177092 /nfs/dbraw/zinc/17/70/92/191177092.db2.gz CRNASODWNZYGDC-HZSPNIEDSA-N 1 0 236.359 2.306 10 30 BEEERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000300214668 352557050 /nfs/dbraw/zinc/55/70/50/352557050.db2.gz ULAFTRGBZIMZMX-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO C#CCOc1cccc(C[NH2+]CCCOCC)c1 ZINC000045945715 187743858 /nfs/dbraw/zinc/74/38/58/187743858.db2.gz IFCKSNHUMOKSLI-UHFFFAOYSA-N 1 0 247.338 2.215 10 30 BEEERO C[C@H](C#N)Oc1cccc(C[NH3+])c1Cl ZINC000307572880 352658271 /nfs/dbraw/zinc/65/82/71/352658271.db2.gz FLTTUWGFRNUOPW-SSDOTTSWSA-N 1 0 210.664 2.090 10 30 BEEERO C=CCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063127615 187872129 /nfs/dbraw/zinc/87/21/29/187872129.db2.gz QEDIPBFHQJAPIK-NSHDSACASA-N 1 0 230.311 2.042 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000638875432 353041896 /nfs/dbraw/zinc/04/18/96/353041896.db2.gz SUTOETGBZGXAKD-VXGBXAGGSA-N 1 0 240.391 2.468 10 30 BEEERO N#Cc1ccc(N[C@@H](CC[NH3+])C(F)F)c(F)c1 ZINC000383458305 353160802 /nfs/dbraw/zinc/16/08/02/353160802.db2.gz OALXAVPVNFASJB-JTQLQIEISA-N 1 0 243.232 2.092 10 30 BEEERO C=CC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000032012602 188181639 /nfs/dbraw/zinc/18/16/39/188181639.db2.gz IAMMUIKUYMTXLJ-NSHDSACASA-N 1 0 211.692 2.149 10 30 BEEERO CC(C)[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049616538 188218718 /nfs/dbraw/zinc/21/87/18/188218718.db2.gz POAQVGWSAGIRFC-UHFFFAOYSA-N 1 0 249.329 2.400 10 30 BEEERO C=CC[NH2+]C[C@@H](C)N(C)Cc1cccc(F)c1 ZINC000053488746 188220126 /nfs/dbraw/zinc/22/01/26/188220126.db2.gz ONSKWGCWPIKAPC-GFCCVEGCSA-N 1 0 236.334 2.422 10 30 BEEERO C=CCn1c[nH+]c(Cc2ccccc2)c1N ZINC000105188597 188225332 /nfs/dbraw/zinc/22/53/32/188225332.db2.gz FYSTXMGNYTVIBG-UHFFFAOYSA-N 1 0 213.284 2.242 10 30 BEEERO C=CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000133045215 353396301 /nfs/dbraw/zinc/39/63/01/353396301.db2.gz MLIQGPRPPUHFOB-CQSZACIVSA-N 1 0 244.338 2.300 10 30 BEEERO Fc1ccc2c(c1)[C@H](CCS)[NH2+]CC2 ZINC000083664483 180989225 /nfs/dbraw/zinc/98/92/25/180989225.db2.gz VSSABXJGSTTXPG-NSHDSACASA-N 1 0 211.305 2.332 10 30 BEEERO C=CC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195285934 353741785 /nfs/dbraw/zinc/74/17/85/353741785.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 1 0 245.370 2.021 10 30 BEEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825918 181058867 /nfs/dbraw/zinc/05/88/67/181058867.db2.gz JWUQAIQZTFOMTN-MELADBBJSA-N 1 0 236.359 2.475 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000054825940 181059091 /nfs/dbraw/zinc/05/90/91/181059091.db2.gz HRUQPDAXOUMECB-AAEUAGOBSA-N 1 0 218.300 2.494 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000054825936 181059499 /nfs/dbraw/zinc/05/94/99/181059499.db2.gz HQKAVHCXSBXQRW-JQWIXIFHSA-N 1 0 204.273 2.104 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000061891173 181060074 /nfs/dbraw/zinc/06/00/74/181060074.db2.gz PMRZGBVDLBZINX-JQWIXIFHSA-N 1 0 216.284 2.174 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038051004 181076429 /nfs/dbraw/zinc/07/64/29/181076429.db2.gz AZRYAMSAOXPDEA-YPMHNXCESA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000052859402 181086832 /nfs/dbraw/zinc/08/68/32/181086832.db2.gz VHKFJGMHPFNNFM-SECBINFHSA-N 1 0 236.702 2.200 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042863386 166389453 /nfs/dbraw/zinc/38/94/53/166389453.db2.gz XZFGYWCGULWENS-RWMBFGLXSA-N 1 0 238.375 2.093 10 30 BEEERO N#Cc1ccc(F)c(COC[C@H]2CCC[NH2+]C2)c1 ZINC000051815457 181113282 /nfs/dbraw/zinc/11/32/82/181113282.db2.gz XMWBUIRBTSKSRF-LBPRGKRZSA-N 1 0 248.301 2.214 10 30 BEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000131054657 181117180 /nfs/dbraw/zinc/11/71/80/181117180.db2.gz YMSLNWQMCURLCC-CFVMTHIKSA-N 1 0 241.338 2.122 10 30 BEEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000335581056 181125397 /nfs/dbraw/zinc/12/53/97/181125397.db2.gz MJYYKUDPJXUVQJ-WCQYABFASA-N 1 0 215.300 2.098 10 30 BEEERO N#Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC000038051106 181126104 /nfs/dbraw/zinc/12/61/04/181126104.db2.gz ZYURDCLIFNCVKJ-AAEUAGOBSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051918761 181127689 /nfs/dbraw/zinc/12/76/89/181127689.db2.gz PUEJKAUPMFTWMX-ZDUSSCGKSA-N 1 0 230.311 2.327 10 30 BEEERO CC[N@@H+]1CCC[C@@H](Nc2nccc(C)c2C#N)C1 ZINC000211622969 354458443 /nfs/dbraw/zinc/45/84/43/354458443.db2.gz AKCQVWLSXAOZQZ-GFCCVEGCSA-N 1 0 244.342 2.158 10 30 BEEERO N#Cc1ccc2c(c1)[C@H]1CCC[C@H]1C(=[NH2+])N2 ZINC000013817922 181132290 /nfs/dbraw/zinc/13/22/90/181132290.db2.gz JMKTYMDJZXREEU-VHSXEESVSA-N 1 0 211.268 2.444 10 30 BEEERO N#Cc1cccc2c1ccc1c2C[NH2+]CC1 ZINC000028712988 181144295 /nfs/dbraw/zinc/14/42/95/181144295.db2.gz GDCPLILTPUVNOR-UHFFFAOYSA-N 1 0 208.264 2.357 10 30 BEEERO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334795839 354548883 /nfs/dbraw/zinc/54/88/83/354548883.db2.gz JJZNXMJBHTXHIW-RYUDHWBXSA-N 1 0 207.317 2.063 10 30 BEEERO N#Cc1ccccc1OC[C@H]1CCCC[NH2+]1 ZINC000051883322 181150089 /nfs/dbraw/zinc/15/00/89/181150089.db2.gz GLDULBNRGCVDOC-GFCCVEGCSA-N 1 0 216.284 2.079 10 30 BEEERO N#Cc1cccnc1SC[C@H]1CCC[NH2+]C1 ZINC000095072071 181153658 /nfs/dbraw/zinc/15/36/58/181153658.db2.gz WHJBHUJJUPIXIP-JTQLQIEISA-N 1 0 233.340 2.045 10 30 BEEERO CO[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000383658241 354803829 /nfs/dbraw/zinc/80/38/29/354803829.db2.gz FUNSFEFARSGJFX-MRVWCRGKSA-N 1 0 236.359 2.473 10 30 BEEERO [NH2+]=C(CS)NC[C@@]12CC[C@@H](C1)CCC2 ZINC000169328517 181185347 /nfs/dbraw/zinc/18/53/47/181185347.db2.gz ADZPTHZLBSINMQ-ONGXEEELSA-N 1 0 212.362 2.453 10 30 BEEERO C#CC[N@@H+](CC)[C@@H]1CCc2ccc(O)cc2C1 ZINC000036427098 355694305 /nfs/dbraw/zinc/69/43/05/355694305.db2.gz AWBPIDMWXWDBSA-CQSZACIVSA-N 1 0 229.323 2.205 10 30 BEEERO C#CC[N@@H+](CC)[C@H]1CCc2ccc(O)cc2C1 ZINC000036427099 355694378 /nfs/dbraw/zinc/69/43/78/355694378.db2.gz AWBPIDMWXWDBSA-AWEZNQCLSA-N 1 0 229.323 2.205 10 30 BEEERO CC1(C#N)CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000336214451 134136359 /nfs/dbraw/zinc/13/63/59/134136359.db2.gz STDYYQDOAMGPOY-YIFLHPOLSA-N 1 0 236.359 2.352 10 30 BEEERO N#CCC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000088259445 356643701 /nfs/dbraw/zinc/64/37/01/356643701.db2.gz DAGCSVJLNKBSGC-STQMWFEESA-N 1 0 234.343 2.324 10 30 BEEERO C[C@H]1CN(C(C)(C)C#N)CC[N@@H+](C2CCC2)C1 ZINC000336420930 134146857 /nfs/dbraw/zinc/14/68/57/134146857.db2.gz DGNCIOUPICSFFD-GFCCVEGCSA-N 1 0 235.375 2.095 10 30 BEEERO C=CCCC[C@H](C[NH2+]C)NC(=O)OC(C)(C)C ZINC000675051356 538474635 /nfs/dbraw/zinc/47/46/35/538474635.db2.gz QWCZLJPIJIMQMZ-LLVKDONJSA-N 1 0 242.363 2.455 10 30 BEEERO O=C[C@H]1C[NH2+]C[C@@H](C2CCCCCC2)C1 ZINC000675060114 538486097 /nfs/dbraw/zinc/48/60/97/538486097.db2.gz SDPGNJNDCDLFMP-YPMHNXCESA-N 1 0 209.333 2.381 10 30 BEEERO O=C[C@@H]1C[NH2+]C[C@@H](C2CCCCCC2)C1 ZINC000675060106 538486205 /nfs/dbraw/zinc/48/62/05/538486205.db2.gz SDPGNJNDCDLFMP-AAEUAGOBSA-N 1 0 209.333 2.381 10 30 BEEERO C=CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525888 134155373 /nfs/dbraw/zinc/15/53/73/134155373.db2.gz GWLVBSIGLYSARN-SECBINFHSA-N 1 0 206.245 2.431 10 30 BEEERO N#Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000168284730 134164547 /nfs/dbraw/zinc/16/45/47/134164547.db2.gz JTTBQNOSMPOCCE-MNOVXSKESA-N 1 0 233.290 2.379 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C#N)CCO1 ZINC000388655090 357094789 /nfs/dbraw/zinc/09/47/89/357094789.db2.gz FJVKRGLYJBPRRE-MQYQWHSLSA-N 1 0 236.359 2.473 10 30 BEEERO N#CCC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000160623409 357140259 /nfs/dbraw/zinc/14/02/59/357140259.db2.gz RIXRMAHQWJLROV-ZFWWWQNUSA-N 1 0 248.370 2.307 10 30 BEEERO CC#CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000159344330 538876772 /nfs/dbraw/zinc/87/67/72/538876772.db2.gz QYKFPTLQTHVFJH-LSDHHAIUSA-N 1 0 234.387 2.349 10 30 BEEERO C=CCCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000132509295 325222222 /nfs/dbraw/zinc/22/22/22/325222222.db2.gz KPSBUKBMBNHJHO-GFCCVEGCSA-N 1 0 229.364 2.060 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCOCC1 ZINC000235513086 357873922 /nfs/dbraw/zinc/87/39/22/357873922.db2.gz HMWOCMYHGGFSFN-CYZMBNFOSA-N 1 0 222.332 2.083 10 30 BEEERO COC[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000169011805 358009068 /nfs/dbraw/zinc/00/90/68/358009068.db2.gz LRCHOIAATICFQI-VIFPVBQESA-N 1 0 238.718 2.336 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@@]1(CC)C(C)C ZINC000263196001 535390931 /nfs/dbraw/zinc/39/09/31/535390931.db2.gz WNNGPHBFKYACRO-AAEUAGOBSA-N 1 0 225.380 2.468 10 30 BEEERO N#CCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171037568 134256572 /nfs/dbraw/zinc/25/65/72/134256572.db2.gz OPUPERYVANRIPY-UHFFFAOYSA-N 1 0 232.331 2.283 10 30 BEEERO C/C(Cc1ccccc1)=N\NC[C@@H](C)C[NH+](C)C ZINC000584627627 358296999 /nfs/dbraw/zinc/29/69/99/358296999.db2.gz BVKJWLVAIXFGPG-UDIPDBSGSA-N 1 0 247.386 2.392 10 30 BEEERO O=C[C@H]1CCC2=C(C1)C1=CC(F)=CC[C@H]1[NH2+]2 ZINC000584617305 358281968 /nfs/dbraw/zinc/28/19/68/358281968.db2.gz VEEXJXKSWMHHDZ-ISVAXAHUSA-N 1 0 219.259 2.395 10 30 BEEERO O=C[C@@H]1CCC2=C(C1)C1=CC(F)=CC[C@H]1[NH2+]2 ZINC000584617300 358282202 /nfs/dbraw/zinc/28/22/02/358282202.db2.gz VEEXJXKSWMHHDZ-AMIZOPFISA-N 1 0 219.259 2.395 10 30 BEEERO C=C[C@@](C)(CC)C(=O)N1CCC([NH+](C)C)CC1 ZINC000134939018 325383650 /nfs/dbraw/zinc/38/36/50/325383650.db2.gz IRZOQNAPWULZLE-AWEZNQCLSA-N 1 0 238.375 2.141 10 30 BEEERO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000125908690 358545206 /nfs/dbraw/zinc/54/52/06/358545206.db2.gz CAUZQIFWZALYAM-ZDUSSCGKSA-N 1 0 238.375 2.189 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000127144853 358560754 /nfs/dbraw/zinc/56/07/54/358560754.db2.gz VCTHPIUWQSCGSY-NWDGAFQWSA-N 1 0 224.348 2.067 10 30 BEEERO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000134973825 358813381 /nfs/dbraw/zinc/81/33/81/358813381.db2.gz CQDMHIDKYMMRLO-GXTWGEPZSA-N 1 0 238.375 2.189 10 30 BEEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cccs1 ZINC000308562173 491137122 /nfs/dbraw/zinc/13/71/22/491137122.db2.gz FXNIUWYGLKCVOE-VHSXEESVSA-N 1 0 211.330 2.336 10 30 BEEERO C#C[C@H]([NH3+])c1cccc(Br)c1C ZINC000130238453 358974187 /nfs/dbraw/zinc/97/41/87/358974187.db2.gz PRVBPRMMCRBCMN-JTQLQIEISA-N 1 0 224.101 2.391 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1SCCS[C@@H]1CC ZINC000228141922 358994916 /nfs/dbraw/zinc/99/49/16/358994916.db2.gz RQQOLNNHYLNKIA-YIZRAAEISA-N 1 0 203.376 2.127 10 30 BEEERO C#CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247534165 359231411 /nfs/dbraw/zinc/23/14/11/359231411.db2.gz OMVBQGQPSRVXSR-LSDHHAIUSA-N 1 0 229.323 2.208 10 30 BEEERO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000306462191 360072319 /nfs/dbraw/zinc/07/23/19/360072319.db2.gz HAOPGEAXCAKUHF-IWSPIJDZSA-N 1 0 202.248 2.312 10 30 BEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(C)(C)C#N ZINC000092628647 360186592 /nfs/dbraw/zinc/18/65/92/360186592.db2.gz UKRFDLQLJDCQKU-CYBMUJFWSA-N 1 0 237.391 2.342 10 30 BEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094460488 360309234 /nfs/dbraw/zinc/30/92/34/360309234.db2.gz FJJJFRCZFVYMEU-QWHCGFSZSA-N 1 0 235.375 2.095 10 30 BEEERO C[C@H](CS)C[N@@H+]1CCSC[C@H](C)C1 ZINC000306560238 360435072 /nfs/dbraw/zinc/43/50/72/360435072.db2.gz RLASMISZPSWDCF-VHSXEESVSA-N 1 0 219.419 2.237 10 30 BEEERO C[C@H]1c2ccsc2CC[N@H+]1CC[C@H]1CO1 ZINC000306600877 360528211 /nfs/dbraw/zinc/52/82/11/360528211.db2.gz ACQVTXBHRYDNJC-UWVGGRQHSA-N 1 0 223.341 2.456 10 30 BEEERO C#CC[C@H]([NH3+])c1cc(Br)oc1C ZINC000306622401 361235483 /nfs/dbraw/zinc/23/54/83/361235483.db2.gz WKFTTWKLNOPSTM-QMMMGPOBSA-N 1 0 228.089 2.374 10 30 BEEERO C=C(CS)C[N@H+]1CCSCC[C@@H]1C ZINC000306625605 361284708 /nfs/dbraw/zinc/28/47/08/361284708.db2.gz HAEGMIHYYIFGEJ-JTQLQIEISA-N 1 0 217.403 2.300 10 30 BEEERO [NH3+]CC#Cc1cccc(COC2CCCC2)c1 ZINC000049610338 181345846 /nfs/dbraw/zinc/34/58/46/181345846.db2.gz KNOSDBROWZRQAQ-UHFFFAOYSA-N 1 0 229.323 2.456 10 30 BEEERO [NH3+]CC#Cc1ccc(COC2CCCC2)cc1 ZINC000049610332 181346771 /nfs/dbraw/zinc/34/67/71/181346771.db2.gz HWIXZVTUSVABQQ-UHFFFAOYSA-N 1 0 229.323 2.456 10 30 BEEERO [NH3+]CC#Cc1cccc(Cl)c1Cl ZINC000037470971 181346871 /nfs/dbraw/zinc/34/68/71/181346871.db2.gz VHKJVVLOKNZGBI-UHFFFAOYSA-N 1 0 200.068 2.304 10 30 BEEERO [NH3+]CC#Cc1cc(F)ccc1COCC1CC1 ZINC000049610852 181346615 /nfs/dbraw/zinc/34/66/15/181346615.db2.gz DVVJYDXHVMWKIW-UHFFFAOYSA-N 1 0 233.286 2.063 10 30 BEEERO C=C(C)[C@H]([NH2+]C)[C@@H]1SCCS[C@H]1C ZINC000252717977 367827198 /nfs/dbraw/zinc/82/71/98/367827198.db2.gz CSJMHHKIWYJQLH-LPEHRKFASA-N 1 0 217.403 2.388 10 30 BEEERO C=C(C)[C@H]([NH2+]C)[C@H]1SCCS[C@H]1C ZINC000252717976 367827659 /nfs/dbraw/zinc/82/76/59/367827659.db2.gz CSJMHHKIWYJQLH-GUBZILKMSA-N 1 0 217.403 2.388 10 30 BEEERO C=C1CC[N@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC000114151986 368927510 /nfs/dbraw/zinc/92/75/10/368927510.db2.gz RIVIVBOYCOXKID-CQSZACIVSA-N 1 0 217.312 2.200 10 30 BEEERO N#Cc1cc(F)ccc1NCCC1(C[NH3+])CC1 ZINC000404687791 369433258 /nfs/dbraw/zinc/43/32/58/369433258.db2.gz PSIHIKKDXAGNRL-UHFFFAOYSA-N 1 0 233.290 2.238 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955281 369574981 /nfs/dbraw/zinc/57/49/81/369574981.db2.gz LTLOWJUOWKTPGO-JQWIXIFHSA-N 1 0 244.342 2.123 10 30 BEEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000600962883 369579296 /nfs/dbraw/zinc/57/92/96/369579296.db2.gz OKBYJBMKBLMFTC-WPRPVWTQSA-N 1 0 235.718 2.138 10 30 BEEERO COc1cc(CN[C@H]2CCCC[C@@H]2C#N)ccn1 ZINC000062070178 369949458 /nfs/dbraw/zinc/94/94/58/369949458.db2.gz QFQCHVFXBAIMHB-OLZOCXBDSA-N 1 0 245.326 2.262 10 30 BEEERO CC(C)(C)OCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000308514768 370142646 /nfs/dbraw/zinc/14/26/46/370142646.db2.gz UBPHYBXFSMYZDR-NWDGAFQWSA-N 1 0 224.348 2.473 10 30 BEEERO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@@H](O)C1 ZINC000309721119 370249179 /nfs/dbraw/zinc/24/91/79/370249179.db2.gz BTXVLHHAZDSBRA-FRRDWIJNSA-N 1 0 224.348 2.019 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891098 370993566 /nfs/dbraw/zinc/99/35/66/370993566.db2.gz CWCJTXBADYTXAU-UTUOFQBUSA-N 1 0 222.332 2.226 10 30 BEEERO C=C[C@H]([NH3+])c1ccc(C(F)(F)F)cn1 ZINC000161684419 371030557 /nfs/dbraw/zinc/03/05/57/371030557.db2.gz AUGXJNWIBIRZOY-ZETCQYMHSA-N 1 0 202.179 2.286 10 30 BEEERO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000126709803 371543991 /nfs/dbraw/zinc/54/39/91/371543991.db2.gz LOIFFNMNMOEXLW-RYUDHWBXSA-N 1 0 224.348 2.209 10 30 BEEERO N#Cc1cc(F)c(NCC[NH2+]C2CC2)c(F)c1 ZINC000133673334 372086727 /nfs/dbraw/zinc/08/67/27/372086727.db2.gz RWCZEDLTVNLRAT-UHFFFAOYSA-N 1 0 237.253 2.000 10 30 BEEERO C[C@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164088194 372097664 /nfs/dbraw/zinc/09/76/64/372097664.db2.gz CAVWWIKEOIMDMY-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040502224 373354811 /nfs/dbraw/zinc/35/48/11/373354811.db2.gz BEUIEIQQKHXZCH-OAHLLOKOSA-N 1 0 243.354 2.132 10 30 BEEERO CCCCOCCOc1cccc(C#CC[NH3+])c1 ZINC000049264248 168905348 /nfs/dbraw/zinc/90/53/48/168905348.db2.gz TYUKMDSDGNWXGF-UHFFFAOYSA-N 1 0 247.338 2.192 10 30 BEEERO OCCC#Cc1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000049615579 183042897 /nfs/dbraw/zinc/04/28/97/183042897.db2.gz LKBVGYFJZHINAB-UHFFFAOYSA-N 1 0 247.313 2.155 10 30 BEEERO OCC#Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000043679213 183031962 /nfs/dbraw/zinc/03/19/62/183031962.db2.gz XUIKIFBNVPFMIL-UHFFFAOYSA-N 1 0 235.352 2.078 10 30 BEEERO OCC#Cc1ccccc1C[NH+]1CCCCC1 ZINC000049616744 183033273 /nfs/dbraw/zinc/03/32/73/183033273.db2.gz ZFXKMVHCWFIIPV-UHFFFAOYSA-N 1 0 229.323 2.016 10 30 BEEERO OCC#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716617 183033605 /nfs/dbraw/zinc/03/36/05/183033605.db2.gz BPMZUHJAXMWFJQ-XJKSGUPXSA-N 1 0 241.334 2.015 10 30 BEEERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC#N)cc1 ZINC000037620306 169008020 /nfs/dbraw/zinc/00/80/20/169008020.db2.gz YQEDGHGDLSKIIB-ZDUSSCGKSA-N 1 0 245.326 2.209 10 30 BEEERO CCN(CCC#N)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972901 169815565 /nfs/dbraw/zinc/81/55/65/169815565.db2.gz RFSAGZLWJQYKOK-BXUZGUMPSA-N 1 0 249.333 2.450 10 30 BEEERO CCC[C@@](C)([NH3+])C(=O)Nc1sccc1C#N ZINC000040852073 169452575 /nfs/dbraw/zinc/45/25/75/169452575.db2.gz LSJWYBHZGCEEQY-LLVKDONJSA-N 1 0 237.328 2.076 10 30 BEEERO C#CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000371205558 533050916 /nfs/dbraw/zinc/05/09/16/533050916.db2.gz AGHKPIRICCWYBY-NSHDSACASA-N 1 0 220.341 2.346 10 30 BEEERO Cc1cc(NCC[N@@H+](C)C(C)C)c(C#N)c(C)n1 ZINC000157428647 384448581 /nfs/dbraw/zinc/44/85/81/384448581.db2.gz JDNWFXWRQCAYNP-UHFFFAOYSA-N 1 0 246.358 2.322 10 30 BEEERO C#CCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000229820460 384437906 /nfs/dbraw/zinc/43/79/06/384437906.db2.gz UVZGZMFDYFJPFA-ZDUSSCGKSA-N 1 0 215.296 2.383 10 30 BEEERO C=CCCC[NH+]1CCC(c2nncn2CC)CC1 ZINC000117880812 384608884 /nfs/dbraw/zinc/60/88/84/384608884.db2.gz RFIKRWQCBVXEOP-UHFFFAOYSA-N 1 0 248.374 2.444 10 30 BEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(F)cc1C#N ZINC000320716518 384839147 /nfs/dbraw/zinc/83/91/47/384839147.db2.gz QQAYPYYAQYWNJC-BDAKNGLRSA-N 1 0 221.279 2.235 10 30 BEEERO CCC[C@@H](O)CNc1cc(C)nc(C)c1C#N ZINC000158081889 384856238 /nfs/dbraw/zinc/85/62/38/384856238.db2.gz UNKXRACGBZPKFI-LLVKDONJSA-N 1 0 233.315 2.143 10 30 BEEERO CN(Cc1ccccn1)CC1(C#N)CCC1 ZINC000259018709 384955488 /nfs/dbraw/zinc/95/54/88/384955488.db2.gz YEBLCMLUBOWXHX-UHFFFAOYSA-N 1 0 215.300 2.207 10 30 BEEERO C[C@H]1COC[C@H](C)[NH+]1CCC(C)(C)C#N ZINC000119682431 384941857 /nfs/dbraw/zinc/94/18/57/384941857.db2.gz YNFLPRYJTUZAEI-QWRGUYRKSA-N 1 0 210.321 2.035 10 30 BEEERO N#CCCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152276289 385042827 /nfs/dbraw/zinc/04/28/27/385042827.db2.gz NLAPSCNCYXONQX-CQSZACIVSA-N 1 0 245.326 2.229 10 30 BEEERO C[C@H]1C[C@@](C#N)(NCc2ccccc2)CC[N@@H+]1C ZINC000156443569 385279058 /nfs/dbraw/zinc/27/90/58/385279058.db2.gz MCNUUXNXPPCDSP-ZFWWWQNUSA-N 1 0 243.354 2.153 10 30 BEEERO C=CCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247460278 385337407 /nfs/dbraw/zinc/33/74/07/385337407.db2.gz UIONOZPUGBBLGZ-QWHCGFSZSA-N 1 0 238.375 2.188 10 30 BEEERO C[C@H](C[NH3+])Nc1ccc(C#N)cc1C(F)(F)F ZINC000235466431 259673784 /nfs/dbraw/zinc/67/37/84/259673784.db2.gz RWRSQFPVRQCZOM-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)cc1 ZINC000309006362 385696147 /nfs/dbraw/zinc/69/61/47/385696147.db2.gz NGLRAEZVEDVNDY-SNVBAGLBSA-N 1 0 203.289 2.098 10 30 BEEERO C=CC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944846 386509167 /nfs/dbraw/zinc/50/91/67/386509167.db2.gz NOJMEVHGEQEFSJ-UHFFFAOYSA-N 1 0 242.326 2.241 10 30 BEEERO C=C(C(=O)C1(C)CC[NH2+]CC1)C(F)(F)F ZINC000307398566 386611301 /nfs/dbraw/zinc/61/13/01/386611301.db2.gz YNIXZMKAXUPVSN-UHFFFAOYSA-N 1 0 221.222 2.064 10 30 BEEERO C=CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019875881 386785697 /nfs/dbraw/zinc/78/56/97/386785697.db2.gz PIHRAXRUPLQGCY-JTQLQIEISA-N 1 0 219.284 2.294 10 30 BEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000193018449 386808426 /nfs/dbraw/zinc/80/84/26/386808426.db2.gz FBSXBURDDIZQET-BARDWOONSA-N 1 0 249.402 2.387 10 30 BEEERO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398795906 386993005 /nfs/dbraw/zinc/99/30/05/386993005.db2.gz RITLJJIRLGLNEZ-AVGNSLFASA-N 1 0 209.333 2.045 10 30 BEEERO C=C(CC)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398833427 387001306 /nfs/dbraw/zinc/00/13/06/387001306.db2.gz IENFLZUKMFTUES-RWMBFGLXSA-N 1 0 209.333 2.045 10 30 BEEERO C=C(C)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245200005 387943455 /nfs/dbraw/zinc/94/34/55/387943455.db2.gz GPJYEGPIWXHKEN-XQQFMLRXSA-N 1 0 237.343 2.369 10 30 BEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCC#N ZINC000083704481 388061206 /nfs/dbraw/zinc/06/12/06/388061206.db2.gz QIZUOCUILZZCJJ-UONOGXRCSA-N 1 0 235.375 2.239 10 30 BEEERO N#Cc1cc(F)c(NCC23CC(C2)C[NH2+]3)c(F)c1 ZINC000596027142 388400737 /nfs/dbraw/zinc/40/07/37/388400737.db2.gz OTZOGISOKAMSFB-UHFFFAOYSA-N 1 0 249.264 2.000 10 30 BEEERO C[N@@H+](Cc1cc(C#N)cs1)CC1CC1 ZINC000122947766 388591144 /nfs/dbraw/zinc/59/11/44/388591144.db2.gz ZHHHGBAOUMRXGL-UHFFFAOYSA-N 1 0 206.314 2.462 10 30 BEEERO Cc1ccnc(N[C@H](C)CCCC[NH3+])c1C#N ZINC000310437452 388669875 /nfs/dbraw/zinc/66/98/75/388669875.db2.gz RPLPXHHGVIJBSH-LLVKDONJSA-N 1 0 232.331 2.191 10 30 BEEERO Cc1cc(C#N)cc(N[C@H](C)CCCC[NH3+])n1 ZINC000310427885 177725871 /nfs/dbraw/zinc/72/58/71/177725871.db2.gz PLXHCVFPIUHYDT-SNVBAGLBSA-N 1 0 232.331 2.191 10 30 BEEERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000251710130 388751536 /nfs/dbraw/zinc/75/15/36/388751536.db2.gz BPHSKBDYLYXLKL-NZEXEKPDSA-N 1 0 222.332 2.224 10 30 BEEERO C[C@@H]1CCCN(c2ccc(F)cc2C#N)[C@@H]1C[NH3+] ZINC000070178407 132230254 /nfs/dbraw/zinc/23/02/54/132230254.db2.gz LKIQDKDHMQJLPC-QMTHXVAHSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@H]1CCCN(c2cccc(F)c2C#N)[C@@H]1C[NH3+] ZINC000070178604 132230302 /nfs/dbraw/zinc/23/03/02/132230302.db2.gz WRFYBUANTXDEED-IINYFYTJSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2F)[C@@H]1C[NH3+] ZINC000070178387 132230420 /nfs/dbraw/zinc/23/04/20/132230420.db2.gz IUWWAZHMDWHXRT-QMTHXVAHSA-N 1 0 247.317 2.261 10 30 BEEERO C=CCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000223566148 134340424 /nfs/dbraw/zinc/34/04/24/134340424.db2.gz FDCCZHUCNZRBJE-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO C=CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227381154 134379388 /nfs/dbraw/zinc/37/93/88/134379388.db2.gz YZGKTCKLNYKOHR-STQMWFEESA-N 1 0 209.333 2.190 10 30 BEEERO CC#CCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248387788 135001376 /nfs/dbraw/zinc/00/13/76/135001376.db2.gz BVPDOTGSVMNYON-OLZOCXBDSA-N 1 0 207.317 2.043 10 30 BEEERO N#CC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000337290988 135011020 /nfs/dbraw/zinc/01/10/20/135011020.db2.gz OEPXHJYQNFKNJX-MJBXVCDLSA-N 1 0 248.370 2.306 10 30 BEEERO C[C@H](C#N)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248477721 135013811 /nfs/dbraw/zinc/01/38/11/135013811.db2.gz YXWOUSUMSMTHPY-RBSFLKMASA-N 1 0 249.402 2.485 10 30 BEEERO C[C@@H](C#N)C[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251133671 135064030 /nfs/dbraw/zinc/06/40/30/135064030.db2.gz UXMIXZVAFOBJPP-WCQYABFASA-N 1 0 214.312 2.418 10 30 BEEERO C[C@@H]1CN(C(C)(C)C#N)CC[N@@H+](C2CCC2)C1 ZINC000336420931 135083087 /nfs/dbraw/zinc/08/30/87/135083087.db2.gz DGNCIOUPICSFFD-LBPRGKRZSA-N 1 0 235.375 2.095 10 30 BEEERO C[C@@H]1CCN(c2ccc(F)cc2C#N)[C@H](C[NH3+])C1 ZINC000261549421 135188458 /nfs/dbraw/zinc/18/84/58/135188458.db2.gz ISSLASLFGPXLPV-MFKMUULPSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH+]=C(NCC1CCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261761433 135250605 /nfs/dbraw/zinc/25/06/05/135250605.db2.gz OGWJFPLKBFWYMT-KBPBESRZSA-N 1 0 249.402 2.484 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262503184 135303201 /nfs/dbraw/zinc/30/32/01/135303201.db2.gz AMYQNYKLJZADRB-CHWSQXEVSA-N 1 0 235.375 2.436 10 30 BEEERO C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[C@H]1C ZINC000262810449 135319242 /nfs/dbraw/zinc/31/92/42/135319242.db2.gz OSWOLJFPZVPAES-LDYMZIIASA-N 1 0 237.372 2.130 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCc2ccccc21 ZINC000263259659 135342586 /nfs/dbraw/zinc/34/25/86/135342586.db2.gz SCCATLBSQRRPRV-CYBMUJFWSA-N 1 0 243.354 2.423 10 30 BEEERO CC[C@@H](C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263287176 135344177 /nfs/dbraw/zinc/34/41/77/135344177.db2.gz VCDSTWZCOMKJOM-MNOVXSKESA-N 1 0 223.364 2.412 10 30 BEEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263287178 135344663 /nfs/dbraw/zinc/34/46/63/135344663.db2.gz VCDSTWZCOMKJOM-WDEREUQCSA-N 1 0 223.364 2.412 10 30 BEEERO CC[C@@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000082579313 135439370 /nfs/dbraw/zinc/43/93/70/135439370.db2.gz RCKLTNJQGJAKKR-SNVBAGLBSA-N 1 0 223.707 2.361 10 30 BEEERO C#CCSCC[NH2+][C@H](COC)c1ccccc1 ZINC000231934453 135641807 /nfs/dbraw/zinc/64/18/07/135641807.db2.gz PIRFSLKJOCECQY-CQSZACIVSA-N 1 0 249.379 2.330 10 30 BEEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335598889 136113834 /nfs/dbraw/zinc/11/38/34/136113834.db2.gz ZEWFLQFECATIQY-IINYFYTJSA-N 1 0 248.301 2.043 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000061891894 398107922 /nfs/dbraw/zinc/10/79/22/398107922.db2.gz OWAOGFLJDCKCSG-UKRRQHHQSA-N 1 0 226.323 2.436 10 30 BEEERO CC(C)NC(=[NH2+])N(CCC#N)c1ccccc1 ZINC000052037203 167035600 /nfs/dbraw/zinc/03/56/00/167035600.db2.gz JIZCRHNLYCGEIY-UHFFFAOYSA-N 1 0 230.315 2.339 10 30 BEEERO C=CCCC(C)(C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662954304 409987943 /nfs/dbraw/zinc/98/79/43/409987943.db2.gz UIHOGWXTPDRAOT-LLVKDONJSA-N 1 0 226.364 2.221 10 30 BEEERO C#CC[N@@H+](C)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000027653889 166161718 /nfs/dbraw/zinc/16/17/18/166161718.db2.gz VSENRWBXNRWCMN-LBPRGKRZSA-N 1 0 217.312 2.154 10 30 BEEERO C#CC[NH2+]CCCCCC(=O)Nc1ccccc1 ZINC000013609336 166186667 /nfs/dbraw/zinc/18/66/67/166186667.db2.gz UBTRJUAZLJACKN-UHFFFAOYSA-N 1 0 244.338 2.408 10 30 BEEERO C#CC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019875551 166190735 /nfs/dbraw/zinc/19/07/35/166190735.db2.gz ZGXNGYRYCKPNRK-NSHDSACASA-N 1 0 203.285 2.369 10 30 BEEERO C#CC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000019875674 166192785 /nfs/dbraw/zinc/19/27/85/166192785.db2.gz UEMXKIPADXVCKX-AWEZNQCLSA-N 1 0 215.296 2.295 10 30 BEEERO C#CCOc1cc(OCCC)ccc1C[C@H](C)[NH3+] ZINC000037722181 166197569 /nfs/dbraw/zinc/19/75/69/166197569.db2.gz QXEYYTWJQQRSAS-LBPRGKRZSA-N 1 0 247.338 2.377 10 30 BEEERO C#CCOc1ccc(C[NH2+]CCC)cc1OC ZINC000037704412 166198867 /nfs/dbraw/zinc/19/88/67/166198867.db2.gz ABDIWBZYILWLDB-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C#CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041731385 166207869 /nfs/dbraw/zinc/20/78/69/166207869.db2.gz OSRYQTDADJFUAI-LLVKDONJSA-N 1 0 202.301 2.094 10 30 BEEERO C(#Cc1ccccc1)COC[C@H]1CCC[NH2+]C1 ZINC000051815523 166225877 /nfs/dbraw/zinc/22/58/77/166225877.db2.gz CUEVPBSITJDLKG-HNNXBMFYSA-N 1 0 229.323 2.054 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCCCO1 ZINC000051814357 166226093 /nfs/dbraw/zinc/22/60/93/166226093.db2.gz HRZPSFDNSRQBFL-HNNXBMFYSA-N 1 0 229.323 2.197 10 30 BEEERO C=CCN(CC=C)C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000020071305 166335963 /nfs/dbraw/zinc/33/59/63/166335963.db2.gz KKTGQMCFDOPFLA-MRXNPFEDSA-N 1 0 242.366 2.375 10 30 BEEERO C=CCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000068702762 166358103 /nfs/dbraw/zinc/35/81/03/166358103.db2.gz OOIXDXTWVCEUDI-STQMWFEESA-N 1 0 210.365 2.127 10 30 BEEERO CC(C)N[C@H](C#N)CCn1cnc2ccccc21 ZINC000062440132 167135877 /nfs/dbraw/zinc/13/58/77/167135877.db2.gz YOGACXYAUVQBTK-LBPRGKRZSA-N 1 0 242.326 2.317 10 30 BEEERO CC(C)N[C@H](C#N)CCN1CCc2ccccc21 ZINC000062368376 167136272 /nfs/dbraw/zinc/13/62/72/167136272.db2.gz VPYCEVXUJWINEJ-AWEZNQCLSA-N 1 0 243.354 2.329 10 30 BEEERO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825476 170009398 /nfs/dbraw/zinc/00/93/98/170009398.db2.gz ZVZNQIAOUNRORI-BFHYXJOUSA-N 1 0 235.375 2.000 10 30 BEEERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054590484 170123270 /nfs/dbraw/zinc/12/32/70/170123270.db2.gz ZHHXQAUBORUBGP-OLZOCXBDSA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+][C@H](C)c1ccccc1N(CC#N)CC#N ZINC000034838554 170160517 /nfs/dbraw/zinc/16/05/17/170160517.db2.gz OMHWAICIMUMALX-GFCCVEGCSA-N 1 0 242.326 2.211 10 30 BEEERO CCOCC[N@H+](CC)[C@@H]1CCC[C@@H]1C#N ZINC000104365008 170396668 /nfs/dbraw/zinc/39/66/68/170396668.db2.gz GICOMMIWBLQCNO-VXGBXAGGSA-N 1 0 210.321 2.037 10 30 BEEERO C=CCC1([NH2+]Cc2nnc(CC)n2C)CCCC1 ZINC000661847629 411900821 /nfs/dbraw/zinc/90/08/21/411900821.db2.gz BGHPGPVWEUOYIA-UHFFFAOYSA-N 1 0 248.374 2.356 10 30 BEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000662635817 412253080 /nfs/dbraw/zinc/25/30/80/412253080.db2.gz NKNOUBLKMHSLBP-YNEHKIRRSA-N 1 0 238.375 2.175 10 30 BEEERO C[NH+](C)CCCOc1ccc(F)cc1C#N ZINC000104365001 172445747 /nfs/dbraw/zinc/44/57/47/172445747.db2.gz SKSZNSPMCURAGP-UHFFFAOYSA-N 1 0 222.263 2.028 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000062791051 173125520 /nfs/dbraw/zinc/12/55/20/173125520.db2.gz QSLAOIKALIMPAY-SNVBAGLBSA-N 1 0 235.718 2.328 10 30 BEEERO C[N@@H+]1CC[C@H](CN[C@@H](CC#N)c2ccccc2)C1 ZINC000055017006 173146518 /nfs/dbraw/zinc/14/65/18/173146518.db2.gz MISONFIJXDAVDB-HIFRSBDPSA-N 1 0 243.354 2.183 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1ccc(C#N)c(Cl)c1 ZINC000061847574 173364834 /nfs/dbraw/zinc/36/48/34/173364834.db2.gz AEQSVDRCSSGOCD-MRVPVSSYSA-N 1 0 224.691 2.198 10 30 BEEERO COC1CC[NH+]([C@@H]2CCCC[C@H]2C#N)CC1 ZINC000037266319 174029955 /nfs/dbraw/zinc/02/99/55/174029955.db2.gz JSSQSKPKKKRTOC-WCQYABFASA-N 1 0 222.332 2.180 10 30 BEEERO COc1ccc(C)cc1C1(C#N)CC[NH2+]CC1 ZINC000071534760 175073980 /nfs/dbraw/zinc/07/39/80/175073980.db2.gz ALLXXSVKNBHREO-UHFFFAOYSA-N 1 0 230.311 2.148 10 30 BEEERO COc1cccc(CC[NH3+])c1OCCCCC#N ZINC000049578990 175251578 /nfs/dbraw/zinc/25/15/78/175251578.db2.gz QHMAIFDWVVQILM-UHFFFAOYSA-N 1 0 248.326 2.269 10 30 BEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000063196227 175809964 /nfs/dbraw/zinc/80/99/64/175809964.db2.gz SHKWUEKTPSGGLM-ZBFHGGJFSA-N 1 0 242.366 2.240 10 30 BEEERO C[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000049831488 176021340 /nfs/dbraw/zinc/02/13/40/176021340.db2.gz BRZSGKSRVJKEHF-KGLIPLIRSA-N 1 0 243.354 2.277 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2ccccc2/C(N)=N/O)C1 ZINC000019438257 176102488 /nfs/dbraw/zinc/10/24/88/176102488.db2.gz WSRYVBYZRNCFTH-LLVKDONJSA-N 1 0 247.342 2.013 10 30 BEEERO C[C@@H]1CCC[C@H]([N@H+](C)C[C@]2(C=O)CCOC2)C1 ZINC000051178136 176140679 /nfs/dbraw/zinc/14/06/79/176140679.db2.gz RIWTWWPUKYRWFQ-RDBSUJKOSA-N 1 0 239.359 2.103 10 30 BEEERO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613630 176173836 /nfs/dbraw/zinc/17/38/36/176173836.db2.gz CCDSIBPLVCNOLH-GFCCVEGCSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cccc(F)c1C#N ZINC000335657151 176185183 /nfs/dbraw/zinc/18/51/83/176185183.db2.gz MBFSTKUECCBAOU-RNCFNFMXSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1C[NH+](Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000057661498 176302909 /nfs/dbraw/zinc/30/29/09/176302909.db2.gz NQEUMGLIHKCBPL-CHWSQXEVSA-N 1 0 244.338 2.362 10 30 BEEERO C[C@H](C#N)Oc1ccc(C[NH3+])cc1Cl ZINC000043513918 176555372 /nfs/dbraw/zinc/55/53/72/176555372.db2.gz UUPIJPRTOWIQAW-SSDOTTSWSA-N 1 0 210.664 2.090 10 30 BEEERO C[C@H]1CC(C)(C)C[C@@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940359 177063994 /nfs/dbraw/zinc/06/39/94/177063994.db2.gz JTCPKCFSUXWDQT-ZFWWWQNUSA-N 1 0 249.402 2.390 10 30 BEEERO C[C@H]1CCCC[C@H]1[N@H+](C)CCCC/C(N)=N/O ZINC000042607870 177086789 /nfs/dbraw/zinc/08/67/89/177086789.db2.gz ZXZSVHAIGOSCFL-NWDGAFQWSA-N 1 0 241.379 2.414 10 30 BEEERO C[C@H]1CC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049613621 177163664 /nfs/dbraw/zinc/16/36/64/177163664.db2.gz OMJVQWQKDSNCTH-LBPRGKRZSA-N 1 0 247.313 2.011 10 30 BEEERO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCS1 ZINC000135471692 177262854 /nfs/dbraw/zinc/26/28/54/177262854.db2.gz MLVDSTQUINTFQC-NSHDSACASA-N 1 0 232.352 2.496 10 30 BEEERO C[C@H]1C[NH+]=C(NCc2ccc(C#N)cc2)S1 ZINC000051354693 177282030 /nfs/dbraw/zinc/28/20/30/177282030.db2.gz PEYLQSGJRUBHCF-VIFPVBQESA-N 1 0 231.324 2.139 10 30 BEEERO Cc1c(C)n([C@H](C[NH+](C)C)C(C)C)c(N)c1C#N ZINC000049223836 177556486 /nfs/dbraw/zinc/55/64/86/177556486.db2.gz OWUXCPPWGWOEJM-CYBMUJFWSA-N 1 0 248.374 2.318 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398796613 262770268 /nfs/dbraw/zinc/77/02/68/262770268.db2.gz PRRNEOAMFGYLFY-AVGNSLFASA-N 1 0 236.359 2.019 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(F)cc1C#N ZINC000320716535 267169033 /nfs/dbraw/zinc/16/90/33/267169033.db2.gz QQAYPYYAQYWNJC-IUCAKERBSA-N 1 0 221.279 2.235 10 30 BEEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000399234714 267224157 /nfs/dbraw/zinc/22/41/57/267224157.db2.gz HAHSMIKQMDUFFT-GWCFXTLKSA-N 1 0 248.301 2.043 10 30 BEEERO C=C(C)CNC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262669150 323615273 /nfs/dbraw/zinc/61/52/73/323615273.db2.gz QDJVLZDGTYGRBT-UHFFFAOYSA-N 1 0 249.280 2.199 10 30 BEEERO C=CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000530236278 324551922 /nfs/dbraw/zinc/55/19/22/324551922.db2.gz QIQJMMFYNRHOSN-VXGBXAGGSA-N 1 0 211.349 2.482 10 30 BEEERO COC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000309465299 487971402 /nfs/dbraw/zinc/97/14/02/487971402.db2.gz PCJMUZILKZBHFU-LLVKDONJSA-N 1 0 237.730 2.316 10 30 BEEERO C=CC[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123808629 534353162 /nfs/dbraw/zinc/35/31/62/534353162.db2.gz ZTXHWZSPBLUTLT-NSHDSACASA-N 1 0 240.310 2.260 10 30 BEEERO OCC#Cc1csc(C[NH+]2CCCCC2)c1 ZINC000043698488 582806407 /nfs/dbraw/zinc/80/64/07/582806407.db2.gz OULQJUJJUBLCLD-UHFFFAOYSA-N 1 0 235.352 2.078 10 30 BEEERO C=CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305646169 534532325 /nfs/dbraw/zinc/53/23/25/534532325.db2.gz AQOLDOYZFDDFQS-STQMWFEESA-N 1 0 209.333 2.188 10 30 BEEERO C=CCCC[C@@H](C)NC(=O)[C@](C)([NH3+])CCC ZINC000262167477 534752574 /nfs/dbraw/zinc/75/25/74/534752574.db2.gz WGFIUHWAUDNKEJ-DGCLKSJQSA-N 1 0 226.364 2.365 10 30 BEEERO C=CC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000182839742 534847635 /nfs/dbraw/zinc/84/76/35/534847635.db2.gz BSKXOMQQLXHBOD-UHFFFAOYSA-N 1 0 232.327 2.419 10 30 BEEERO C=CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000086929560 534854993 /nfs/dbraw/zinc/85/49/93/534854993.db2.gz SNFBJEUJVGMCSM-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[C@H]1C ZINC000262801860 535263531 /nfs/dbraw/zinc/26/35/31/535263531.db2.gz MQUVQNRJSSFRDW-JHJVBQTASA-N 1 0 235.375 2.306 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261747334 535265661 /nfs/dbraw/zinc/26/56/61/535265661.db2.gz NBZSHWBTPQCGEJ-XDQVBPFNSA-N 1 0 249.402 2.482 10 30 BEEERO C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2Cl)C1 ZINC000062791389 536366175 /nfs/dbraw/zinc/36/61/75/536366175.db2.gz DSNJKJAUCOOSII-LLVKDONJSA-N 1 0 249.745 2.400 10 30 BEEERO Cc1ccoc1CS[C@H](C)[C@@H](N)C#N ZINC000757163130 582545629 /nfs/dbraw/zinc/54/56/29/582545629.db2.gz CLIBKIUMPFIQHZ-BDAKNGLRSA-N 1 0 210.302 2.061 10 30 BEEERO CCCCCCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000100019990 582753175 /nfs/dbraw/zinc/75/31/75/582753175.db2.gz FVLNYSJCVDUJTP-LBPRGKRZSA-N 1 0 226.364 2.073 10 30 BEEERO N#CCCCC[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757134218 586427263 /nfs/dbraw/zinc/42/72/63/586427263.db2.gz WSMXFOMHKRNHTA-OAHLLOKOSA-N 1 0 247.386 2.240 10 30 BEEERO C#CC[NH2+]CCSCc1ccc(Cl)o1 ZINC000757169275 586432486 /nfs/dbraw/zinc/43/24/86/586432486.db2.gz HIEFWKLMBBWEAA-UHFFFAOYSA-N 1 0 229.732 2.389 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C(C)(C)C ZINC000121541626 588109576 /nfs/dbraw/zinc/10/95/76/588109576.db2.gz CGOYANSHJQGGIU-GFCCVEGCSA-N 1 0 239.359 2.309 10 30 BEEERO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000203013835 589208877 /nfs/dbraw/zinc/20/88/77/589208877.db2.gz LULZKBVNVJMVKX-QWHCGFSZSA-N 1 0 231.343 2.103 10 30 BEEERO C=CCCC[N@@H+](C)CN1CCSC1=S ZINC000119745387 589329311 /nfs/dbraw/zinc/32/93/11/589329311.db2.gz RMOBDEFVSRSJHR-UHFFFAOYSA-N 1 0 230.402 2.176 10 30 BEEERO Cc1cccc(NC(=[NH2+])NCCCF)c1 ZINC000128899121 591176343 /nfs/dbraw/zinc/17/63/43/591176343.db2.gz KHRSPKFDXKUZBJ-UHFFFAOYSA-N 1 0 209.268 2.081 10 30 BEEERO [NH2+]=C(NCC1(C2CC2)CC1)NC1CCCCC1 ZINC000130819585 591525470 /nfs/dbraw/zinc/52/54/70/591525470.db2.gz XDZPZPBWISYALX-UHFFFAOYSA-N 1 0 235.375 2.414 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)cc1F ZINC000063169446 634442773 /nfs/dbraw/zinc/44/27/73/634442773.db2.gz SQNQDMHRKRXCFJ-GFCCVEGCSA-N 1 0 247.317 2.276 10 30 BEEERO CCCCCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232926949 635521882 /nfs/dbraw/zinc/52/18/82/635521882.db2.gz BAILXZURXHWXMU-RYUDHWBXSA-N 1 0 226.364 2.153 10 30 BEEERO C#CCSCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308860878 631701412 /nfs/dbraw/zinc/70/14/12/631701412.db2.gz BIHDCXPAIDLVPT-VXGBXAGGSA-N 1 0 229.364 2.471 10 30 BEEERO C#CCSCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308860874 631973862 /nfs/dbraw/zinc/97/38/62/631973862.db2.gz BIHDCXPAIDLVPT-NWDGAFQWSA-N 1 0 229.364 2.471 10 30 BEEERO C#CCSCC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000309439629 632046831 /nfs/dbraw/zinc/04/68/31/632046831.db2.gz IDTPNBLWUIIQHI-TUAOUCFPSA-N 1 0 241.400 2.002 10 30 BEEERO C#CCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228198296 640865041 /nfs/dbraw/zinc/86/50/41/640865041.db2.gz YSTQUSHUWUFTAQ-OLZOCXBDSA-N 1 0 207.317 2.043 10 30 BEEERO C[NH2+]C[C@H]1CCCCN1c1cccc(F)c1C#N ZINC000063169582 641142853 /nfs/dbraw/zinc/14/28/53/641142853.db2.gz YLDJTFTYOADBSX-LLVKDONJSA-N 1 0 247.317 2.276 10 30 BEEERO C#Cc1cccc(NC(=O)[C@@H](CCC)[NH+](C)C)c1 ZINC000156855575 641611146 /nfs/dbraw/zinc/61/11/46/641611146.db2.gz LKBDBVZWSPJIJU-CQSZACIVSA-N 1 0 244.338 2.337 10 30 BEEERO C[NH2+][C@H](C)CNc1nc2ccccc2cc1C#N ZINC000306035084 642720349 /nfs/dbraw/zinc/72/03/49/642720349.db2.gz OOKPTTHNHOADGH-SNVBAGLBSA-N 1 0 240.310 2.126 10 30 BEEERO C#CCCCCC(=O)NC[C@H](C)[NH+](CC)CC ZINC000180150143 642774724 /nfs/dbraw/zinc/77/47/24/642774724.db2.gz NEDWFGNAVZLEGO-ZDUSSCGKSA-N 1 0 238.375 2.027 10 30 BEEERO C#CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000070245450 643005995 /nfs/dbraw/zinc/00/59/95/643005995.db2.gz FQEZKUVRPFRZGW-UHFFFAOYSA-N 1 0 229.283 2.091 10 30 BEEERO C#CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000070245598 643006276 /nfs/dbraw/zinc/00/62/76/643006276.db2.gz WLRDLMMRXBDHMU-UHFFFAOYSA-N 1 0 225.295 2.190 10 30 BEEERO C[C@@H]1C[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092277610 644652924 /nfs/dbraw/zinc/65/29/24/644652924.db2.gz UIVARMQNFKXDHP-KOLCDFICSA-N 1 0 209.337 2.022 10 30 BEEERO CSC1CC([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000706929388 712161587 /nfs/dbraw/zinc/16/15/87/712161587.db2.gz SWLLSOWSSAJMRT-PMUOWJKOSA-N 1 0 210.346 2.162 10 30 BEEERO N#Cc1ccc(Cl)cc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715082930 712507229 /nfs/dbraw/zinc/50/72/29/712507229.db2.gz UFTSVVKBRJCPRJ-JLIMDTESSA-N 1 0 235.718 2.361 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(Cl)cc1C#N ZINC000723787697 710732079 /nfs/dbraw/zinc/73/20/79/710732079.db2.gz ARQOBGUROIKAGT-KOLCDFICSA-N 1 0 249.745 2.479 10 30 BEEERO CCC(CC)(CO)[NH2+]CC#Cc1ccccc1 ZINC000053070389 711774948 /nfs/dbraw/zinc/77/49/48/711774948.db2.gz WOJPQHQJNRORPL-UHFFFAOYSA-N 1 0 231.339 2.179 10 30 BEEERO CSC1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000706929386 712161914 /nfs/dbraw/zinc/16/19/14/712161914.db2.gz SWLLSOWSSAJMRT-IDWGSYCQSA-N 1 0 210.346 2.162 10 30 BEEERO CN(c1cccc(C#N)n1)C1(C[NH3+])CCCCC1 ZINC000713298956 712458666 /nfs/dbraw/zinc/45/86/66/712458666.db2.gz RCKHSIMDWFSPSL-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO COCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000713928383 712473201 /nfs/dbraw/zinc/47/32/01/712473201.db2.gz NYPYLBNKMOHIDH-UHFFFAOYSA-N 1 0 248.301 2.212 10 30 BEEERO N#Cc1ccc(Cl)cc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715153506 712512882 /nfs/dbraw/zinc/51/28/82/712512882.db2.gz UFTSVVKBRJCPRJ-DKTWLAJQSA-N 1 0 235.718 2.361 10 30 BEEERO C#CC[C@H](COC)[NH2+]CC1CCC(C)CC1 ZINC000716930260 712596969 /nfs/dbraw/zinc/59/69/69/712596969.db2.gz ZDVSJJZDRMHVSC-JXQTWKCFSA-N 1 0 223.360 2.441 10 30 BEEERO C#CC[C@H](COC)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000716956256 712600086 /nfs/dbraw/zinc/60/00/86/712600086.db2.gz HUBMYYBVVDPYMU-FDYHWXHSSA-N 1 0 209.333 2.049 10 30 BEEERO C=C(Cl)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917826 712786876 /nfs/dbraw/zinc/78/68/76/712786876.db2.gz OLCONYXGDURGFA-RYUDHWBXSA-N 1 0 228.767 2.203 10 30 BEEERO C[NH2+]CCN(c1cccc(F)c1C#N)C(C)C ZINC000720791260 712865913 /nfs/dbraw/zinc/86/59/13/712865913.db2.gz MFYFHMFXECLMQB-UHFFFAOYSA-N 1 0 235.306 2.132 10 30 BEEERO C=CCC[C@@H]([NH2+]C1CC(OC)C1)C1CC1 ZINC000380342589 712889988 /nfs/dbraw/zinc/88/99/88/712889988.db2.gz SDCDTBVTAWYCSB-WXRRBKDZSA-N 1 0 209.333 2.498 10 30 BEEERO C=CCC[C@@H](CC)[NH2+]CCC1(C)OCCO1 ZINC000129399178 1166181265 /nfs/dbraw/zinc/18/12/65/1166181265.db2.gz YEEHMHJSDYPBQF-GFCCVEGCSA-N 1 0 227.348 2.474 10 30 BEEERO C=C(C)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161415566 349442821 /nfs/dbraw/zinc/44/28/21/349442821.db2.gz SMAWNLAJNIYCNL-GFCCVEGCSA-N 1 0 234.347 2.054 10 30 BEEERO C=CCOc1ccccc1C[NH2+][C@@H](CC)CO ZINC000006541124 136214778 /nfs/dbraw/zinc/21/47/78/136214778.db2.gz CYITVNKEMYVHFY-ZDUSSCGKSA-N 1 0 235.327 2.112 10 30 BEEERO Cc1ccc(C#N)c(OC[C@H]2CCC[NH2+]C2)c1 ZINC000051883204 178366059 /nfs/dbraw/zinc/36/60/59/178366059.db2.gz AODNOERFTHCYGZ-LBPRGKRZSA-N 1 0 230.311 2.245 10 30 BEEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1 ZINC000320625093 342734532 /nfs/dbraw/zinc/73/45/32/342734532.db2.gz AMKGXVSOYFXDMQ-UWVGGRQHSA-N 1 0 203.289 2.096 10 30 BEEERO C#CC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000147188002 342774004 /nfs/dbraw/zinc/77/40/04/342774004.db2.gz LXRTVYQBCOTGNM-ZDUSSCGKSA-N 1 0 230.267 2.147 10 30 BEEERO CC(C)([NH3+])C#Cc1occc1Br ZINC000069678807 342807664 /nfs/dbraw/zinc/80/76/64/342807664.db2.gz YETUTBPXAYPDAY-UHFFFAOYSA-N 1 0 228.089 2.131 10 30 BEEERO C=CCOCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000379979133 538983081 /nfs/dbraw/zinc/98/30/81/538983081.db2.gz GKIMOHFASVCALO-NEPJUHHUSA-N 1 0 215.312 2.307 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042443906 361999851 /nfs/dbraw/zinc/99/98/51/361999851.db2.gz WTUGAHVROXHXTN-WDEREUQCSA-N 1 0 210.346 2.118 10 30 BEEERO CCCC[C@H](NC(N)=[NH2+])c1ccccc1 ZINC000060055041 342888503 /nfs/dbraw/zinc/88/85/03/342888503.db2.gz ANNPFCMPGJHXIK-NSHDSACASA-N 1 0 205.305 2.191 10 30 BEEERO C=C(Cl)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162587943 349758357 /nfs/dbraw/zinc/75/83/57/349758357.db2.gz RCUFVQHDIJPOLH-GUBZILKMSA-N 1 0 215.724 2.142 10 30 BEEERO CCc1nc(C)c(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000336813777 136271000 /nfs/dbraw/zinc/27/10/00/136271000.db2.gz DCOFCDCDKCSSNP-GHMZBOCLSA-N 1 0 233.315 2.327 10 30 BEEERO C=CCC[C@H]([NH2+]Cc1ccnn1C)C1CC1 ZINC000120115280 136292140 /nfs/dbraw/zinc/29/21/40/136292140.db2.gz MOTGTMLKKHTYNX-ZDUSSCGKSA-N 1 0 219.332 2.255 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)c(C)n1 ZINC000310333573 343435005 /nfs/dbraw/zinc/43/50/05/343435005.db2.gz ASHFENMUAHWGJT-LBPRGKRZSA-N 1 0 232.331 2.191 10 30 BEEERO C#CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019875638 166192333 /nfs/dbraw/zinc/19/23/33/166192333.db2.gz GUJSMWVMZHZCQM-QWRGUYRKSA-N 1 0 215.296 2.472 10 30 BEEERO CC[C@@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000082579430 133502795 /nfs/dbraw/zinc/50/27/95/133502795.db2.gz DBLQGZYNOGINOD-SNVBAGLBSA-N 1 0 223.707 2.361 10 30 BEEERO NC(=[NH2+])Nc1cc(Br)ccc1Cl ZINC000061693532 343727992 /nfs/dbraw/zinc/72/79/92/343727992.db2.gz HVFMMETZQPLGRJ-UHFFFAOYSA-N 1 0 248.511 2.007 10 30 BEEERO CC(C)OCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000159019170 346971695 /nfs/dbraw/zinc/97/16/95/346971695.db2.gz MEGNWLCRBLQDIK-VXGBXAGGSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@H]1CC[N@H+](CC2(C=O)CCCCC2)C1 ZINC000051177629 346975271 /nfs/dbraw/zinc/97/52/71/346975271.db2.gz QEEDLFNLUOFLOD-LBPRGKRZSA-N 1 0 209.333 2.478 10 30 BEEERO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)OC ZINC000393463349 343878030 /nfs/dbraw/zinc/87/80/30/343878030.db2.gz BVINYUSVBAVCLW-YNEHKIRRSA-N 1 0 224.348 2.473 10 30 BEEERO CO[C@](C)(C[NH2+][C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000381044270 343883900 /nfs/dbraw/zinc/88/39/00/343883900.db2.gz GSVLCWULLXUTBH-CYZMBNFOSA-N 1 0 222.332 2.083 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1nccc(C)c1C#N ZINC000135209128 343966305 /nfs/dbraw/zinc/96/63/05/343966305.db2.gz SXVZFPZLXDSHIU-LLVKDONJSA-N 1 0 232.331 2.191 10 30 BEEERO N#Cc1ccc(NCCC[NH3+])c(C(F)(F)F)c1 ZINC000135276047 344148818 /nfs/dbraw/zinc/14/88/18/344148818.db2.gz PNFKKDFKEKKHFR-UHFFFAOYSA-N 1 0 243.232 2.338 10 30 BEEERO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000126849515 344184706 /nfs/dbraw/zinc/18/47/06/344184706.db2.gz OCFQGWWBSVBXCM-AVGNSLFASA-N 1 0 211.349 2.482 10 30 BEEERO C=CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128061956 344203230 /nfs/dbraw/zinc/20/32/30/344203230.db2.gz OZEOBJFUUAHGFL-RYUDHWBXSA-N 1 0 205.305 2.142 10 30 BEEERO N#Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000084552725 344441057 /nfs/dbraw/zinc/44/10/57/344441057.db2.gz NOCOJXJYMJBSLO-UHFFFAOYSA-N 1 0 243.310 2.014 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000054825549 344471915 /nfs/dbraw/zinc/47/19/15/344471915.db2.gz FHCLCHXVTYIPHD-ZIAGYGMSSA-N 1 0 229.327 2.296 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@H]2CCCO2)s1 ZINC000135496377 344487240 /nfs/dbraw/zinc/48/72/40/344487240.db2.gz CKBLPIACCBQDDE-SNVBAGLBSA-N 1 0 236.340 2.278 10 30 BEEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000135497507 344488706 /nfs/dbraw/zinc/48/87/06/344488706.db2.gz KBSRQOYOLBYTKJ-NXEZZACHSA-N 1 0 236.340 2.013 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@H]1CCOC1 ZINC000158523953 344670694 /nfs/dbraw/zinc/67/06/94/344670694.db2.gz NAIQZMJLGPNMQP-QNWHQSFQSA-N 1 0 222.332 2.083 10 30 BEEERO N#CCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482850 344687710 /nfs/dbraw/zinc/68/77/10/344687710.db2.gz MKSZAUHSEQWYIZ-GFCCVEGCSA-N 1 0 218.304 2.240 10 30 BEEERO C[C@@H]1C[C@H](C)CN(C(=[NH2+])NCc2ccccc2)C1 ZINC000073066879 344832911 /nfs/dbraw/zinc/83/29/11/344832911.db2.gz ZZPHKTFYXIJAHZ-BETUJISGSA-N 1 0 245.370 2.479 10 30 BEEERO C=CCCCN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000135972924 344950688 /nfs/dbraw/zinc/95/06/88/344950688.db2.gz CBAJXUVPPLXQOW-CYBMUJFWSA-N 1 0 238.375 2.191 10 30 BEEERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCC#N)cc1 ZINC000042908090 178869095 /nfs/dbraw/zinc/86/90/95/178869095.db2.gz RWOXCGNXEACWRA-TZMCWYRMSA-N 1 0 231.343 2.229 10 30 BEEERO COc1cc(C#N)ccc1OC[C@@H]1CCC[N@@H+]1C ZINC000114019957 345755866 /nfs/dbraw/zinc/75/58/66/345755866.db2.gz UEUHYDRBEWALMW-LBPRGKRZSA-N 1 0 246.310 2.040 10 30 BEEERO C=CC[C@H]1C[N@@H+](C)C[C@]1(O)c1ccccc1 ZINC000256013715 345764709 /nfs/dbraw/zinc/76/47/09/345764709.db2.gz YMSTWDUALQERSI-KBPBESRZSA-N 1 0 217.312 2.012 10 30 BEEERO C=C(C)C[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000163974546 345781593 /nfs/dbraw/zinc/78/15/93/345781593.db2.gz KPHCFVROCGNLQL-LLVKDONJSA-N 1 0 219.284 2.424 10 30 BEEERO C([C@H]1CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061819894 345952999 /nfs/dbraw/zinc/95/29/99/345952999.db2.gz SXKGCKYQGNEFOK-LBPRGKRZSA-N 1 0 209.333 2.432 10 30 BEEERO Cc1ncc(CN2CCCC[C@@H]2C=O)s1 ZINC000062337826 346240153 /nfs/dbraw/zinc/24/01/53/346240153.db2.gz IUTOVRPCFDZKRL-SNVBAGLBSA-N 1 0 224.329 2.005 10 30 BEEERO C=C(C)CN(CC)C[C@@H]([NH3+])Cc1ccccc1 ZINC000020074151 187370997 /nfs/dbraw/zinc/37/09/97/187370997.db2.gz PBOWFJSDBMOEOZ-HNNXBMFYSA-N 1 0 232.371 2.454 10 30 BEEERO O/[N+](=C\c1ccncc1)CC1CCCCC1 ZINC000225442209 370652414 /nfs/dbraw/zinc/65/24/14/370652414.db2.gz LZOWHVWWUGMOQK-PTNGSMBKSA-N 1 0 219.308 2.483 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CN(C)CC1(CC#N)CC1 ZINC000092628721 347186722 /nfs/dbraw/zinc/18/67/22/347186722.db2.gz FSKZRUJTVHRXEL-ZDUSSCGKSA-N 1 0 235.375 2.096 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000300698665 347378708 /nfs/dbraw/zinc/37/87/08/347378708.db2.gz LNOPFKHBCDIRHN-XUXIUFHCSA-N 1 0 236.359 2.209 10 30 BEEERO CC#CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090919509 133664505 /nfs/dbraw/zinc/66/45/05/133664505.db2.gz DBGWCSPKKYJURA-NSHDSACASA-N 1 0 231.295 2.132 10 30 BEEERO CC1([NH3+])CCN(c2ccc(F)cc2C#N)CC1 ZINC000591435698 347659788 /nfs/dbraw/zinc/65/97/88/347659788.db2.gz TYXIHMPHOWOBFM-UHFFFAOYSA-N 1 0 233.290 2.015 10 30 BEEERO Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000592122692 347737489 /nfs/dbraw/zinc/73/74/89/347737489.db2.gz LYPGPGWBQOHGMK-JSGCOSHPSA-N 1 0 229.327 2.214 10 30 BEEERO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000592122691 347737769 /nfs/dbraw/zinc/73/77/69/347737769.db2.gz LYPGPGWBQOHGMK-GXTWGEPZSA-N 1 0 229.327 2.214 10 30 BEEERO CCSCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000308540388 347822582 /nfs/dbraw/zinc/82/25/82/347822582.db2.gz NSCFCMUEYNBSDZ-WDEREUQCSA-N 1 0 212.362 2.411 10 30 BEEERO Cc1ccccc1NC1(C#N)CC[NH2+]CC1 ZINC000040695155 179303679 /nfs/dbraw/zinc/30/36/79/179303679.db2.gz WAOKZBQRYBATDS-UHFFFAOYSA-N 1 0 215.300 2.053 10 30 BEEERO Cc1ccccc1N[C@]1(C#N)CCN(C)C1 ZINC000061990904 179307468 /nfs/dbraw/zinc/30/74/68/179307468.db2.gz DDWBXMJFTOWOEB-ZDUSSCGKSA-N 1 0 215.300 2.005 10 30 BEEERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CCC#N ZINC000043034127 179347095 /nfs/dbraw/zinc/34/70/95/179347095.db2.gz BAXXHNZLMDWIKY-JSGCOSHPSA-N 1 0 231.343 2.229 10 30 BEEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)c(Cl)c1 ZINC000594693617 348100436 /nfs/dbraw/zinc/10/04/36/348100436.db2.gz QHJJGMFJCKYBKJ-UHFFFAOYSA-N 1 0 237.734 2.385 10 30 BEEERO CN(CC(C)(C)[NH3+])c1cc(Cl)ccc1C#N ZINC000594693824 348100995 /nfs/dbraw/zinc/10/09/95/348100995.db2.gz VXXDYGVWYOPXNH-UHFFFAOYSA-N 1 0 237.734 2.385 10 30 BEEERO C=C(C)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616571541 348199674 /nfs/dbraw/zinc/19/96/74/348199674.db2.gz LTKPHLCAPJXNOK-LLVKDONJSA-N 1 0 230.311 2.042 10 30 BEEERO COC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595688234 348313897 /nfs/dbraw/zinc/31/38/97/348313897.db2.gz CZXKDRCMZZSVEQ-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000595689255 348315049 /nfs/dbraw/zinc/31/50/49/348315049.db2.gz KSWUBDBLXDPXIM-HZSPNIEDSA-N 1 0 236.359 2.473 10 30 BEEERO C[NH2+][C@@H](C)CNc1cccc(Cl)c1C#N ZINC000308810497 348697666 /nfs/dbraw/zinc/69/76/66/348697666.db2.gz QAHORKLDBRXONU-QMMMGPOBSA-N 1 0 223.707 2.231 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCCO1 ZINC000382265330 349398276 /nfs/dbraw/zinc/39/82/76/349398276.db2.gz LUCZLWSVCNMQGR-LOWDOPEQSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@H](CC[NH2+]CC(C)(C)CCC#N)[S@](C)=O ZINC000132573370 191034097 /nfs/dbraw/zinc/03/40/97/191034097.db2.gz SANVCURCVMRJHG-BDJLRTHQSA-N 1 0 244.404 2.063 10 30 BEEERO C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000117876901 350226767 /nfs/dbraw/zinc/22/67/67/350226767.db2.gz WMWFTEIUHDGPOA-ZDUSSCGKSA-N 1 0 238.375 2.189 10 30 BEEERO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163174923 350509172 /nfs/dbraw/zinc/50/91/72/350509172.db2.gz PTDVUQXRRAGMCW-MJBXVCDLSA-N 1 0 221.344 2.025 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000063100003 350571978 /nfs/dbraw/zinc/57/19/78/350571978.db2.gz OYKFOGRXNMGLJS-HTQZYQBOSA-N 1 0 206.211 2.221 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000236172341 350731175 /nfs/dbraw/zinc/73/11/75/350731175.db2.gz GQBWABPKHNOAHS-FRRDWIJNSA-N 1 0 222.332 2.085 10 30 BEEERO N#Cc1ccc([C@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616600348 350779454 /nfs/dbraw/zinc/77/94/54/350779454.db2.gz HKMGBONUZCPNKE-AWEZNQCLSA-N 1 0 243.354 2.086 10 30 BEEERO C=C([C@@H]([NH3+])[C@H]1[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000306709611 350859564 /nfs/dbraw/zinc/85/95/64/350859564.db2.gz PTCHSTNZOIPIFK-RYPBNFRJSA-N 1 0 205.223 2.478 10 30 BEEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000159793365 350997842 /nfs/dbraw/zinc/99/78/42/350997842.db2.gz NDGGSMXIJSQXTC-CYBMUJFWSA-N 1 0 244.338 2.071 10 30 BEEERO N#Cc1cccc([C@H]2CCC[N@@H+](CCO)CC2)c1 ZINC000616626846 351107320 /nfs/dbraw/zinc/10/73/20/351107320.db2.gz CGDAHDTWRKKLRG-AWEZNQCLSA-N 1 0 244.338 2.120 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000616632653 351112344 /nfs/dbraw/zinc/11/23/44/351112344.db2.gz VTAZMGCEIBLGKJ-CQSZACIVSA-N 1 0 243.354 2.303 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCCCN1CC[NH3+] ZINC000616624927 351093065 /nfs/dbraw/zinc/09/30/65/351093065.db2.gz ISOLUYGIEWUKFA-HNNXBMFYSA-N 1 0 243.354 2.434 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCCC[N@H+]1CCO ZINC000616625782 351094456 /nfs/dbraw/zinc/09/44/56/351094456.db2.gz WBBMMDAOFUEFJS-HNNXBMFYSA-N 1 0 244.338 2.468 10 30 BEEERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccccc1C#N ZINC000616637884 351136690 /nfs/dbraw/zinc/13/66/90/351136690.db2.gz RRRHGILKQVVPGR-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO C=C(Br)CNC1=[NH+]CCCC1 ZINC000168262841 351360994 /nfs/dbraw/zinc/36/09/94/351360994.db2.gz PYYJIRWTAORONK-UHFFFAOYSA-N 1 0 217.110 2.067 10 30 BEEERO C=CCN(CC=C)C[C@H](C[NH3+])c1ccccc1 ZINC000061613560 166335167 /nfs/dbraw/zinc/33/51/67/166335167.db2.gz XUGHTBROYVUZMO-HNNXBMFYSA-N 1 0 230.355 2.403 10 30 BEEERO C=CCN(CC=C)c1ccc(C[NH2+]CC)cn1 ZINC000051398977 166337831 /nfs/dbraw/zinc/33/78/31/166337831.db2.gz VIAJXEKSPPXQGB-UHFFFAOYSA-N 1 0 231.343 2.370 10 30 BEEERO C=CC(C)(C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000638454783 352264223 /nfs/dbraw/zinc/26/42/23/352264223.db2.gz KFDVPTSULURZCZ-LLVKDONJSA-N 1 0 226.364 2.078 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638454264 352267519 /nfs/dbraw/zinc/26/75/19/352267519.db2.gz FSCSNLRFFLOTOY-NWDGAFQWSA-N 1 0 238.375 2.080 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CS1 ZINC000086935908 352747550 /nfs/dbraw/zinc/74/75/50/352747550.db2.gz BWBUGKDQRXPXNI-CHWFTXMASA-N 1 0 210.346 2.162 10 30 BEEERO CC1(C#N)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383425201 352954363 /nfs/dbraw/zinc/95/43/63/352954363.db2.gz BAYWAUWHJSXBRA-QWHCGFSZSA-N 1 0 236.359 2.163 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638875441 353041649 /nfs/dbraw/zinc/04/16/49/353041649.db2.gz UDRJLSARLHOUFB-NEPJUHHUSA-N 1 0 238.375 2.222 10 30 BEEERO C#Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000019488813 188058864 /nfs/dbraw/zinc/05/88/64/188058864.db2.gz TXQVLFWPWOLFMY-UHFFFAOYSA-N 1 0 230.311 2.126 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@@H](C)N(C)C)cc1 ZINC000038088082 188082781 /nfs/dbraw/zinc/08/27/81/188082781.db2.gz BZJHVYRFALBLSB-CYBMUJFWSA-N 1 0 248.370 2.291 10 30 BEEERO CC(C)[N@H+](CCC#N)Cc1cc(N)ccc1O ZINC000042528583 188120846 /nfs/dbraw/zinc/12/08/46/188120846.db2.gz MQIRQRQFBOQAFQ-UHFFFAOYSA-N 1 0 233.315 2.098 10 30 BEEERO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H]1C ZINC000052272479 353192564 /nfs/dbraw/zinc/19/25/64/353192564.db2.gz STATYGXDTLHLPL-YPMHNXCESA-N 1 0 215.296 2.197 10 30 BEEERO CC[C@H](CCC[NH3+])C(=O)Nc1ccccc1C#N ZINC000076629216 188134067 /nfs/dbraw/zinc/13/40/67/188134067.db2.gz KZFQACNQBKFTBH-LLVKDONJSA-N 1 0 245.326 2.262 10 30 BEEERO C=C(C)COc1cc2c(cc1C[NH2+]C)OCO2 ZINC000042874208 188216806 /nfs/dbraw/zinc/21/68/06/188216806.db2.gz HIAHVTUKRRIXMN-UHFFFAOYSA-N 1 0 235.283 2.090 10 30 BEEERO C=CC[NH2+]C[C@@H](C)OCc1ccc(OC)cc1 ZINC000053585419 188220518 /nfs/dbraw/zinc/22/05/18/188220518.db2.gz ISDIKMCVFZDONC-GFCCVEGCSA-N 1 0 235.327 2.376 10 30 BEEERO C=CCn1c(N)c(C2CCOCC2)[nH+]c1CCC ZINC000103545296 188225203 /nfs/dbraw/zinc/22/52/03/188225203.db2.gz FCHLMPKVLIGXQU-UHFFFAOYSA-N 1 0 249.358 2.498 10 30 BEEERO C#C[C@@H]([NH3+])c1cccc(F)c1Br ZINC000130292384 353345423 /nfs/dbraw/zinc/34/54/23/353345423.db2.gz XSNHHIGRZQANOO-MRVPVSSYSA-N 1 0 228.064 2.221 10 30 BEEERO CC#CC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000135020161 353526092 /nfs/dbraw/zinc/52/60/92/353526092.db2.gz LBPVQGOZYAOVKK-NSHDSACASA-N 1 0 233.311 2.378 10 30 BEEERO C=CC[C@H](CO)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000184284165 353636154 /nfs/dbraw/zinc/63/61/54/353636154.db2.gz JUKYJAVBWDFJRE-GXTWGEPZSA-N 1 0 249.354 2.325 10 30 BEEERO CC(C)[C@H](C[NH+](C)C)Nc1ccc(C#N)cc1N ZINC000049194822 188481272 /nfs/dbraw/zinc/48/12/72/188481272.db2.gz VHFNDBZYJGFCSP-AWEZNQCLSA-N 1 0 246.358 2.139 10 30 BEEERO C=CC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195285924 353741155 /nfs/dbraw/zinc/74/11/55/353741155.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 1 0 245.370 2.021 10 30 BEEERO C=CCOCC[NH2+][C@H]1CCc2c1cccc2O ZINC000296598763 353825469 /nfs/dbraw/zinc/82/54/69/353825469.db2.gz GATUPPPSKQUVEX-ZDUSSCGKSA-N 1 0 233.311 2.172 10 30 BEEERO N#CCCN(C1CC1)[C@H]1CCCCC[C@H]1[NH3+] ZINC000042548415 181037225 /nfs/dbraw/zinc/03/72/25/181037225.db2.gz CUBUATVWWCRUFL-OLZOCXBDSA-N 1 0 221.348 2.024 10 30 BEEERO N#CCCN([C@@H](C[NH3+])c1ccc(F)cc1)C1CC1 ZINC000042915612 181037346 /nfs/dbraw/zinc/03/73/46/181037346.db2.gz MRKUPNAKQVLAAI-AWEZNQCLSA-N 1 0 247.317 2.204 10 30 BEEERO N#C[C@@H](CC[NH+]1CCCCCCC1)NC1CC1 ZINC000062368240 181054381 /nfs/dbraw/zinc/05/43/81/181054381.db2.gz AKCGCBYOEWCVOW-CQSZACIVSA-N 1 0 235.375 2.287 10 30 BEEERO N#Cc1c(Cl)cccc1NC[C@H]1CCC[NH2+]1 ZINC000053255436 181073394 /nfs/dbraw/zinc/07/33/94/181073394.db2.gz QVUIINYBHXYOTQ-SECBINFHSA-N 1 0 235.718 2.376 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000054827342 181067957 /nfs/dbraw/zinc/06/79/57/181067957.db2.gz CMFCFLBHCFUQSR-KGLIPLIRSA-N 1 0 235.375 2.144 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000061891892 181069342 /nfs/dbraw/zinc/06/93/42/181069342.db2.gz MLGMXVKHBHOPBO-KOLCDFICSA-N 1 0 210.346 2.164 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000061891890 181070140 /nfs/dbraw/zinc/07/01/40/181070140.db2.gz MLGMXVKHBHOPBO-MWLCHTKSSA-N 1 0 210.346 2.164 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038051002 181076074 /nfs/dbraw/zinc/07/60/74/181076074.db2.gz AZRYAMSAOXPDEA-AAEUAGOBSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(F)ccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000126307403 181088551 /nfs/dbraw/zinc/08/85/51/181088551.db2.gz GRBYMXCRDPPOKG-NEPJUHHUSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(F)ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335583426 181088203 /nfs/dbraw/zinc/08/82/03/181088203.db2.gz YOSOKQVIWFMIFM-BXKDBHETSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000019817780 181095570 /nfs/dbraw/zinc/09/55/70/181095570.db2.gz AUFDIHNEYCIEOI-UHFFFAOYSA-N 1 0 215.281 2.140 10 30 BEEERO N#Cc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)o1 ZINC000129955812 181102249 /nfs/dbraw/zinc/10/22/49/181102249.db2.gz YZBNHMPCDVZKBH-NSHDSACASA-N 1 0 246.310 2.152 10 30 BEEERO N#Cc1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000110793185 181121478 /nfs/dbraw/zinc/12/14/78/181121478.db2.gz MLJKIKXVMJBCGV-CYBMUJFWSA-N 1 0 229.327 2.360 10 30 BEEERO N#Cc1ccc(Cl)cc1OC[C@H]1CCC[NH2+]1 ZINC000062786567 181111627 /nfs/dbraw/zinc/11/16/27/181111627.db2.gz FTNIZXMJXPDVSL-LLVKDONJSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])c(F)c1 ZINC000038051107 181124395 /nfs/dbraw/zinc/12/43/95/181124395.db2.gz ZYURDCLIFNCVKJ-DGCLKSJQSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1ccccc1CN1CCC[C@H]2COC[C@H]21 ZINC000374321497 181144881 /nfs/dbraw/zinc/14/48/81/181144881.db2.gz SLKWUGFLTVYUIL-LSDHHAIUSA-N 1 0 242.322 2.169 10 30 BEEERO N#Cc1ccccc1Nc1cc(N)cc[nH+]1 ZINC000043568729 181148796 /nfs/dbraw/zinc/14/87/96/181148796.db2.gz IHRVASFSVAMVEG-UHFFFAOYSA-N 1 0 210.240 2.279 10 30 BEEERO N#Cc1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000042338237 181149295 /nfs/dbraw/zinc/14/92/95/181149295.db2.gz AJZKQLUJFPMQQH-ZIAGYGMSSA-N 1 0 227.311 2.207 10 30 BEEERO N#Cc1ccccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020077180 181149394 /nfs/dbraw/zinc/14/93/94/181149394.db2.gz CWHDVVZRXYZJDN-CQSZACIVSA-N 1 0 227.311 2.064 10 30 BEEERO CCCC[C@@H](C[NH3+])Nc1nc(C)cc(C)c1C#N ZINC000130584785 363402231 /nfs/dbraw/zinc/40/22/31/363402231.db2.gz VKJRWSVVTALFPL-LBPRGKRZSA-N 1 0 246.358 2.500 10 30 BEEERO N#Cc1ncccc1COCC[C@H]1CCCC[NH2+]1 ZINC000061659444 181170758 /nfs/dbraw/zinc/17/07/58/181170758.db2.gz RYIKQAMIATXVKX-CYBMUJFWSA-N 1 0 245.326 2.002 10 30 BEEERO NC(=[NH+]Nc1ccccc1)c1ccccc1 ZINC000005278349 181180427 /nfs/dbraw/zinc/18/04/27/181180427.db2.gz ZOBKPJRHDMKXQG-UHFFFAOYSA-N 1 0 211.268 2.419 10 30 BEEERO N/C(C[C@H](c1ccccc1)[NH+]1CCCCC1)=N\O ZINC000055020827 181183900 /nfs/dbraw/zinc/18/39/00/181183900.db2.gz VWOZJVIHIBGKEY-CYBMUJFWSA-N 1 0 247.342 2.350 10 30 BEEERO N#CCC1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000088259443 356643678 /nfs/dbraw/zinc/64/36/78/356643678.db2.gz DAGCSVJLNKBSGC-OLZOCXBDSA-N 1 0 234.343 2.324 10 30 BEEERO C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C[C@@H]1C ZINC000675060092 538485915 /nfs/dbraw/zinc/48/59/15/538485915.db2.gz RYENGWHTWHAVLO-QMVSFRDZSA-N 1 0 223.360 2.483 10 30 BEEERO C#CCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000113335572 134161231 /nfs/dbraw/zinc/16/12/31/134161231.db2.gz PAFGLHNWCMVBAC-FZMZJTMJSA-N 1 0 215.296 2.197 10 30 BEEERO CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@H]2C#N ZINC000675079980 538519707 /nfs/dbraw/zinc/51/97/07/538519707.db2.gz JMUVVYWWPILDGB-JTQLQIEISA-N 1 0 222.332 2.226 10 30 BEEERO C#CC[NH2+]C[C@H](C)N(CC)Cc1ccccc1 ZINC000053489044 357003749 /nfs/dbraw/zinc/00/37/49/357003749.db2.gz POZMQWAGGRMISD-AWEZNQCLSA-N 1 0 230.355 2.120 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300031696 357174459 /nfs/dbraw/zinc/17/44/59/357174459.db2.gz SZQXMXSVFUMBLU-XGEHTFHBSA-N 1 0 203.376 2.125 10 30 BEEERO C=CCC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000191350552 357766047 /nfs/dbraw/zinc/76/60/47/357766047.db2.gz GILMWDNUHOTGKG-CYBMUJFWSA-N 1 0 248.370 2.039 10 30 BEEERO C[C@@H]1OCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235343782 357866075 /nfs/dbraw/zinc/86/60/75/357866075.db2.gz HWZNTAYULQRUCO-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CC[NH2+][C@H](C)CNc1ccc(F)cc1C#N ZINC000387460111 366385532 /nfs/dbraw/zinc/38/55/32/366385532.db2.gz PLINUWSUXXCYCI-SECBINFHSA-N 1 0 221.279 2.107 10 30 BEEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000052759566 358229516 /nfs/dbraw/zinc/22/95/16/358229516.db2.gz YVDJVHFRDOOZQT-HNNXBMFYSA-N 1 0 244.338 2.295 10 30 BEEERO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052759560 358229569 /nfs/dbraw/zinc/22/95/69/358229569.db2.gz UUTIUPDGCJTWIP-HNNXBMFYSA-N 1 0 244.338 2.295 10 30 BEEERO C=CC[C@@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000584636812 358321637 /nfs/dbraw/zinc/32/16/37/358321637.db2.gz FYFGTPYBZJGNFF-CABCVRRESA-N 1 0 231.339 2.402 10 30 BEEERO C=CC[C@@H]1C[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000584636814 358321772 /nfs/dbraw/zinc/32/17/72/358321772.db2.gz FYFGTPYBZJGNFF-HUUCEWRRSA-N 1 0 231.339 2.402 10 30 BEEERO CC#CC1(O)CC[NH+](CCc2ccccc2)CC1 ZINC000584636959 358322352 /nfs/dbraw/zinc/32/23/52/358322352.db2.gz LJJZSUKRODJFJY-UHFFFAOYSA-N 1 0 243.350 2.079 10 30 BEEERO C[N@H+](C[C@@H]1CCCO1)CC(C)(C)CCC#N ZINC000128131466 358570901 /nfs/dbraw/zinc/57/09/01/358570901.db2.gz JDVPGINVJCOBTP-LBPRGKRZSA-N 1 0 224.348 2.427 10 30 BEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC#N ZINC000136075956 358861606 /nfs/dbraw/zinc/86/16/06/358861606.db2.gz AAMDXYZSPMTLDE-ZIAGYGMSSA-N 1 0 235.375 2.239 10 30 BEEERO CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1C#N ZINC000054824025 358876446 /nfs/dbraw/zinc/87/64/46/358876446.db2.gz CINJQOJLKPJZCK-QWHCGFSZSA-N 1 0 223.364 2.000 10 30 BEEERO CCN1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040502134 358895029 /nfs/dbraw/zinc/89/50/29/358895029.db2.gz ADKFSPNEOAFLLZ-OAHLLOKOSA-N 1 0 243.354 2.132 10 30 BEEERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12CO2 ZINC000306196711 359025372 /nfs/dbraw/zinc/02/53/72/359025372.db2.gz LBISXHXPNOWRKD-WCQYABFASA-N 1 0 203.285 2.050 10 30 BEEERO C=C(C)[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000228280990 359661820 /nfs/dbraw/zinc/66/18/20/359661820.db2.gz QBMQCAYXQLEUHX-CIUDSAMLSA-N 1 0 203.376 2.127 10 30 BEEERO C[C@H](C#N)[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000306462194 360071745 /nfs/dbraw/zinc/07/17/45/360071745.db2.gz HAOPGEAXCAKUHF-VGMNWLOBSA-N 1 0 202.248 2.312 10 30 BEEERO CC#CC[NH2+][C@@H]1CCC[C@@H]1C(F)(F)F ZINC000306561651 360438907 /nfs/dbraw/zinc/43/89/07/360438907.db2.gz NIRVRHPQSLIAMB-DTWKUNHWSA-N 1 0 205.223 2.330 10 30 BEEERO CC#CC[NH2+][C@@H]1CCC[C@H]1C(F)(F)F ZINC000306561653 360438976 /nfs/dbraw/zinc/43/89/76/360438976.db2.gz NIRVRHPQSLIAMB-RKDXNWHRSA-N 1 0 205.223 2.330 10 30 BEEERO C[C@@H](CS)C[N@@H+]1CCSC[C@H](C)C1 ZINC000306560232 360435118 /nfs/dbraw/zinc/43/51/18/360435118.db2.gz RLASMISZPSWDCF-NXEZZACHSA-N 1 0 219.419 2.237 10 30 BEEERO C[C@H](CS)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000306560235 360435206 /nfs/dbraw/zinc/43/52/06/360435206.db2.gz RLASMISZPSWDCF-UWVGGRQHSA-N 1 0 219.419 2.237 10 30 BEEERO C[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CO1 ZINC000306600888 360527942 /nfs/dbraw/zinc/52/79/42/360527942.db2.gz ACQVTXBHRYDNJC-VHSXEESVSA-N 1 0 223.341 2.456 10 30 BEEERO C=C[C@H]([NH3+])c1ccncc1Br ZINC000238603941 361164967 /nfs/dbraw/zinc/16/49/67/361164967.db2.gz DFODEHCYYRISOA-QMMMGPOBSA-N 1 0 213.078 2.030 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228563917 361667713 /nfs/dbraw/zinc/66/77/13/361667713.db2.gz GBIVZUAOVLKOFC-SDDRHHMPSA-N 1 0 224.373 2.411 10 30 BEEERO [NH3+]CC#Cc1ccc(COCC2CC2)c(F)c1 ZINC000049610850 181346450 /nfs/dbraw/zinc/34/64/50/181346450.db2.gz KNGDMWNJMMAPBR-UHFFFAOYSA-N 1 0 233.286 2.063 10 30 BEEERO C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1C[NH3+] ZINC000600961092 364400253 /nfs/dbraw/zinc/40/02/53/364400253.db2.gz LJYWHPQFPAYUOQ-KOLCDFICSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000385045342 367778674 /nfs/dbraw/zinc/77/86/74/367778674.db2.gz RWGKODKYLMKQCV-NWDGAFQWSA-N 1 0 224.348 2.162 10 30 BEEERO COCCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054827745 369101195 /nfs/dbraw/zinc/10/11/95/369101195.db2.gz NFSFEIRQKIUGQB-RYUDHWBXSA-N 1 0 210.321 2.085 10 30 BEEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000600962880 369580573 /nfs/dbraw/zinc/58/05/73/369580573.db2.gz OKBYJBMKBLMFTC-SCZZXKLOSA-N 1 0 235.718 2.138 10 30 BEEERO C[C@@H](C#N)C[NH2+]Cc1cccc2cnccc21 ZINC000061125677 369604947 /nfs/dbraw/zinc/60/49/47/369604947.db2.gz VALXIONRMBWVIK-NSHDSACASA-N 1 0 225.295 2.484 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251114420 369671450 /nfs/dbraw/zinc/67/14/50/369671450.db2.gz CWCJTXBADYTXAU-QJPTWQEYSA-N 1 0 222.332 2.226 10 30 BEEERO COc1cc(CN[C@@H]2CCCC[C@@H]2C#N)ccn1 ZINC000062070177 369949479 /nfs/dbraw/zinc/94/94/79/369949479.db2.gz QFQCHVFXBAIMHB-CHWSQXEVSA-N 1 0 245.326 2.262 10 30 BEEERO C[N@H+](CC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000110897400 369999125 /nfs/dbraw/zinc/99/91/25/369999125.db2.gz YZEYGNBLTSZXKJ-OLZOCXBDSA-N 1 0 222.332 2.037 10 30 BEEERO C[C@H]1CCCN(c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252137820 369999496 /nfs/dbraw/zinc/99/94/96/369999496.db2.gz LTJZYSIZKDYHTH-FZMZJTMJSA-N 1 0 229.327 2.122 10 30 BEEERO C[C@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000111302634 370125788 /nfs/dbraw/zinc/12/57/88/370125788.db2.gz UEVAWWWGENOVHP-ZETCQYMHSA-N 1 0 243.232 2.336 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000378736488 371016055 /nfs/dbraw/zinc/01/60/55/371016055.db2.gz GREHVOAUHUEGLT-RWMBFGLXSA-N 1 0 222.332 2.083 10 30 BEEERO CN1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702425 371543776 /nfs/dbraw/zinc/54/37/76/371543776.db2.gz NDBCNRLYFSRGOF-GFCCVEGCSA-N 1 0 223.364 2.000 10 30 BEEERO C=CC[C@H]([NH3+])C(=O)c1cc(F)ccc1F ZINC000226831281 371749715 /nfs/dbraw/zinc/74/97/15/371749715.db2.gz OLMHHVMLLRKYIQ-JTQLQIEISA-N 1 0 211.211 2.051 10 30 BEEERO C[C@@H](CS)C[N@@H+]1CCSC(C)(C)C1 ZINC000133446646 372052566 /nfs/dbraw/zinc/05/25/66/372052566.db2.gz HLDRQEWYUFGUIX-SECBINFHSA-N 1 0 219.419 2.380 10 30 BEEERO C=C[C@H]([NH3+])[C@@H]1SCCS[C@H]1CC ZINC000228288423 372012735 /nfs/dbraw/zinc/01/27/35/372012735.db2.gz RQQOLNNHYLNKIA-CIUDSAMLSA-N 1 0 203.376 2.127 10 30 BEEERO CCN(CCC#N)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915498 169815254 /nfs/dbraw/zinc/81/52/54/169815254.db2.gz CLDYBLHVSPXJMT-RISCZKNCSA-N 1 0 249.333 2.450 10 30 BEEERO OCCC#Cc1cc(F)ccc1C[NH+]1CCCC1 ZINC000049615608 183040413 /nfs/dbraw/zinc/04/04/13/183040413.db2.gz CIONIJPTHHBNIH-UHFFFAOYSA-N 1 0 247.313 2.155 10 30 BEEERO OCCC#Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000049616758 183042237 /nfs/dbraw/zinc/04/22/37/183042237.db2.gz HYWKTUGGUWAUIG-UHFFFAOYSA-N 1 0 243.350 2.406 10 30 BEEERO CCC[N@H+](C)Cc1ccccc1C#CCCO ZINC000049617711 169079813 /nfs/dbraw/zinc/07/98/13/169079813.db2.gz ADGHKUJLISEPCA-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(C#CCO)cc1 ZINC000049617326 169128495 /nfs/dbraw/zinc/12/84/95/169128495.db2.gz GTPRFLDRVXVKFF-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608872 169130121 /nfs/dbraw/zinc/13/01/21/169130121.db2.gz IZHGLYYAMGVGGU-UHFFFAOYSA-N 1 0 248.345 2.368 10 30 BEEERO CCCN[C@](C)(C#N)CC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104422186 169292619 /nfs/dbraw/zinc/29/26/19/169292619.db2.gz YUEOQKBMEIOBCC-IHRRRGAJSA-N 1 0 237.391 2.246 10 30 BEEERO CCC[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC000161188591 169346293 /nfs/dbraw/zinc/34/62/93/169346293.db2.gz YWPHKSMRTPDVBP-ZDUSSCGKSA-N 1 0 245.326 2.227 10 30 BEEERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccccc1C#N ZINC000076629047 169381935 /nfs/dbraw/zinc/38/19/35/169381935.db2.gz UKBZTKMUALVCCI-NSHDSACASA-N 1 0 245.326 2.262 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224419471 134347316 /nfs/dbraw/zinc/34/73/16/134347316.db2.gz YCLPGHRMNNPPHF-DCAQKATOSA-N 1 0 210.346 2.021 10 30 BEEERO N#Cc1c(F)cccc1N1CCC2(CC[NH2+]2)CC1 ZINC000335017859 384011419 /nfs/dbraw/zinc/01/14/19/384011419.db2.gz ORSJVWCJQUSLOL-UHFFFAOYSA-N 1 0 245.301 2.030 10 30 BEEERO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000309448419 384093885 /nfs/dbraw/zinc/09/38/85/384093885.db2.gz LXAYDMDGRQWWNJ-LPWJVIDDSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000336684094 384251859 /nfs/dbraw/zinc/25/18/59/384251859.db2.gz JYTIXCADEXOZCU-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000165060635 384372754 /nfs/dbraw/zinc/37/27/54/384372754.db2.gz IECFZRJJBQGYAR-CABZTGNLSA-N 1 0 204.273 2.429 10 30 BEEERO N#Cc1c(F)cccc1N1CCC(CC[NH3+])CC1 ZINC000070188669 384469824 /nfs/dbraw/zinc/46/98/24/384469824.db2.gz HUZMFYZQUPYMEI-UHFFFAOYSA-N 1 0 247.317 2.263 10 30 BEEERO C#CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672540 384492916 /nfs/dbraw/zinc/49/29/16/384492916.db2.gz LJAUCTNBNKITGM-LBPRGKRZSA-N 1 0 225.295 2.156 10 30 BEEERO N#Cc1cccc([C@@H](C[NH3+])C2(CO)CCCC2)c1 ZINC000536952472 384804252 /nfs/dbraw/zinc/80/42/52/384804252.db2.gz DLWJLRQDHXPXPC-CQSZACIVSA-N 1 0 244.338 2.153 10 30 BEEERO C[NH+](C)[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000071397995 384869780 /nfs/dbraw/zinc/86/97/80/384869780.db2.gz ZNTBNTFMEWUBJE-LBPRGKRZSA-N 1 0 249.745 2.352 10 30 BEEERO C[C@@H]1C[C@@](C#N)(NCc2ccccc2)CC[N@@H+]1C ZINC000156443453 385278527 /nfs/dbraw/zinc/27/85/27/385278527.db2.gz MCNUUXNXPPCDSP-HIFRSBDPSA-N 1 0 243.354 2.153 10 30 BEEERO CC1(C)CN(c2cc(Cl)ccc2C#N)CC[NH2+]1 ZINC000395959227 385279159 /nfs/dbraw/zinc/27/91/59/385279159.db2.gz BZJCDCSCBOTPET-UHFFFAOYSA-N 1 0 249.745 2.400 10 30 BEEERO CC#CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000158115112 385346559 /nfs/dbraw/zinc/34/65/59/385346559.db2.gz HWQXSXVWVRKXAB-UHFFFAOYSA-N 1 0 243.354 2.007 10 30 BEEERO COc1ccccc1[C@@H](C)NCCC#N ZINC000020199544 385422424 /nfs/dbraw/zinc/42/24/24/385422424.db2.gz FZCLPDILZVYDBT-SNVBAGLBSA-N 1 0 204.273 2.259 10 30 BEEERO CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000309235964 385491004 /nfs/dbraw/zinc/49/10/04/385491004.db2.gz XMKWJGGCVKZZAJ-WCBMZHEXSA-N 1 0 221.329 2.293 10 30 BEEERO C[NH2+]CC#Cc1cccc(Br)c1 ZINC000258066036 385531039 /nfs/dbraw/zinc/53/10/39/385531039.db2.gz FBFMOWXIOURGHN-UHFFFAOYSA-N 1 0 224.101 2.020 10 30 BEEERO CC#CC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000119286985 385622137 /nfs/dbraw/zinc/62/21/37/385622137.db2.gz KQDWCWNGUMSZOO-CYBMUJFWSA-N 1 0 231.343 2.106 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000309498158 385623894 /nfs/dbraw/zinc/62/38/94/385623894.db2.gz KTVDYDOFQONBKZ-AGIUHOORSA-N 1 0 222.332 2.227 10 30 BEEERO COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309681098 385787313 /nfs/dbraw/zinc/78/73/13/385787313.db2.gz ZLTQZVKGHPCKFR-FRRDWIJNSA-N 1 0 224.348 2.329 10 30 BEEERO C=CC[C@H](C)[NH2+]Cc1cnn(CCC)c1 ZINC000116926931 385804052 /nfs/dbraw/zinc/80/40/52/385804052.db2.gz VBJHPFQBVARTOO-NSHDSACASA-N 1 0 207.321 2.347 10 30 BEEERO N#Cc1cc(C[NH3+])ccc1C(F)(F)F ZINC000260880870 385990262 /nfs/dbraw/zinc/99/02/62/385990262.db2.gz ZZRHOOSPEZUCDV-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO CC[C@H]([NH3+])CNc1nc(C)c(C#N)cc1Cl ZINC000309229223 385993909 /nfs/dbraw/zinc/99/39/09/385993909.db2.gz IBVPNQFHSSXBCG-VIFPVBQESA-N 1 0 238.722 2.064 10 30 BEEERO COc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1C#N ZINC000234947188 386119651 /nfs/dbraw/zinc/11/96/51/386119651.db2.gz MJVZREXXNIRYRQ-BXKDBHETSA-N 1 0 216.284 2.065 10 30 BEEERO C[C@H]1C[NH+]=C(SCC#CC(C)(C)C)N1 ZINC000306888387 386481143 /nfs/dbraw/zinc/48/11/43/386481143.db2.gz VYHOERVZFRJSMY-VIFPVBQESA-N 1 0 210.346 2.117 10 30 BEEERO CCN1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492524 386588328 /nfs/dbraw/zinc/58/83/28/386588328.db2.gz IGKFIBMHGZUXKM-GFCCVEGCSA-N 1 0 249.383 2.194 10 30 BEEERO C#CCC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000366881664 386767657 /nfs/dbraw/zinc/76/76/57/386767657.db2.gz KGDOGHOLIWVVGT-JTQLQIEISA-N 1 0 206.314 2.303 10 30 BEEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000398976018 387032722 /nfs/dbraw/zinc/03/27/22/387032722.db2.gz BMHCSCPMXSHDIW-WFASDCNBSA-N 1 0 244.338 2.098 10 30 BEEERO C=C(Br)C[NH2+][C@H]1C=CCC1 ZINC000575503722 387359585 /nfs/dbraw/zinc/35/95/85/387359585.db2.gz YYRKIOQLXOWWPY-QMMMGPOBSA-N 1 0 202.095 2.203 10 30 BEEERO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCCO1 ZINC000128108552 387737543 /nfs/dbraw/zinc/73/75/43/387737543.db2.gz GQKIBHFRAGLTHU-LLVKDONJSA-N 1 0 236.340 2.231 10 30 BEEERO C=C(C)[C@@H]([NH3+])c1ncsc1Br ZINC000575570784 387740309 /nfs/dbraw/zinc/74/03/09/387740309.db2.gz OIKOCLGZNDUUEH-RXMQYKEDSA-N 1 0 233.134 2.482 10 30 BEEERO Cc1ccccc1C[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000083767352 388060507 /nfs/dbraw/zinc/06/05/07/388060507.db2.gz OYBSVWUTRNYCHX-ZDUSSCGKSA-N 1 0 247.342 2.096 10 30 BEEERO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CO1 ZINC000251219744 388258241 /nfs/dbraw/zinc/25/82/41/388258241.db2.gz MJADZQCDNBFRBI-BDAKNGLRSA-N 1 0 209.314 2.066 10 30 BEEERO C[NH2+]CCC#Cc1cscc1Br ZINC000575523149 388359002 /nfs/dbraw/zinc/35/90/02/388359002.db2.gz MQWYCIXMZHWGPN-UHFFFAOYSA-N 1 0 244.157 2.472 10 30 BEEERO C=CCCCCC[NH+]1CC(O)(C2CC2)C1 ZINC000236478740 388379558 /nfs/dbraw/zinc/37/95/58/388379558.db2.gz NWSONFUDLYTDPC-UHFFFAOYSA-N 1 0 209.333 2.190 10 30 BEEERO Cc1ccc(C#N)c(NCCC[NH2+]C(C)C)n1 ZINC000520205790 388668294 /nfs/dbraw/zinc/66/82/94/388668294.db2.gz MCVSTPMTZXBHDP-UHFFFAOYSA-N 1 0 232.331 2.062 10 30 BEEERO C#CCOc1ccc(Cl)cc1C[NH2+]CC ZINC000037703438 388646207 /nfs/dbraw/zinc/64/62/07/388646207.db2.gz VBEFLPGGZPZANX-UHFFFAOYSA-N 1 0 223.703 2.462 10 30 BEEERO Cc1cc(N[C@H](C)CCCC[NH3+])cc(C#N)n1 ZINC000308246483 388658683 /nfs/dbraw/zinc/65/86/83/388658683.db2.gz XNFJUUOOODHYDN-SNVBAGLBSA-N 1 0 232.331 2.191 10 30 BEEERO C[C@@H]([NH3+])CCNc1c(C#N)cnc2ccccc21 ZINC000063171485 388660025 /nfs/dbraw/zinc/66/00/25/388660025.db2.gz FYKTXIXVYXFQCZ-SNVBAGLBSA-N 1 0 240.310 2.256 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000249047077 388705684 /nfs/dbraw/zinc/70/56/84/388705684.db2.gz WLWKYJPJGAOKLY-YIYPIFLZSA-N 1 0 236.359 2.209 10 30 BEEERO CCC[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC000161188673 388827182 /nfs/dbraw/zinc/82/71/82/388827182.db2.gz YWPHKSMRTPDVBP-CYBMUJFWSA-N 1 0 245.326 2.227 10 30 BEEERO CC#CC[C@@H]([NH3+])c1occc1Br ZINC000575509716 389004748 /nfs/dbraw/zinc/00/47/48/389004748.db2.gz ZUUJFZLWYOGKTP-MRVPVSSYSA-N 1 0 228.089 2.455 10 30 BEEERO N#Cc1c(Cl)cccc1N1CCC([NH3+])CC1 ZINC000052905638 132362695 /nfs/dbraw/zinc/36/26/95/132362695.db2.gz GAZKJOSUNQOSQN-UHFFFAOYSA-N 1 0 235.718 2.139 10 30 BEEERO C#CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000082687717 322825538 /nfs/dbraw/zinc/82/55/38/322825538.db2.gz TYUNWMGDCDTIAC-BDAKNGLRSA-N 1 0 205.223 2.330 10 30 BEEERO C=C(C)COc1ccc(N2CC[NH2+]CC2)cc1 ZINC000019688477 132249746 /nfs/dbraw/zinc/24/97/46/132249746.db2.gz HNEIVEBSKJCABG-UHFFFAOYSA-N 1 0 232.327 2.051 10 30 BEEERO CC1(C)C[C@@H](O)CC[N@H+](CC2(C#N)CCC2)C1 ZINC000336306749 134142893 /nfs/dbraw/zinc/14/28/93/134142893.db2.gz IHTVGGRHOZUSTL-LBPRGKRZSA-N 1 0 236.359 2.163 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000168284636 134164571 /nfs/dbraw/zinc/16/45/71/134164571.db2.gz JTTBQNOSMPOCCE-GHMZBOCLSA-N 1 0 233.290 2.379 10 30 BEEERO C=CCCC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000121132804 134231686 /nfs/dbraw/zinc/23/16/86/134231686.db2.gz ZALFFLUADWWNAD-UHFFFAOYSA-N 1 0 238.375 2.143 10 30 BEEERO CC[N@H+](CCNc1cc(C#N)cc(C)n1)C1CC1 ZINC000217992967 134251125 /nfs/dbraw/zinc/25/11/25/134251125.db2.gz LNDFUTBIZWSJDR-UHFFFAOYSA-N 1 0 244.342 2.158 10 30 BEEERO C=C(C)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183830680 134356650 /nfs/dbraw/zinc/35/66/50/134356650.db2.gz QYEGGJTZFBSSNQ-UHFFFAOYSA-N 1 0 231.343 2.170 10 30 BEEERO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000185249749 134375722 /nfs/dbraw/zinc/37/57/22/134375722.db2.gz BLHCJVNCCVRKKL-STQMWFEESA-N 1 0 238.375 2.189 10 30 BEEERO C=C(C)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227361583 134378963 /nfs/dbraw/zinc/37/89/63/134378963.db2.gz BKZNESRKDZOXPD-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO C[C@H]1OCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235601071 134597213 /nfs/dbraw/zinc/59/72/13/134597213.db2.gz HWZNTAYULQRUCO-VXGBXAGGSA-N 1 0 224.348 2.473 10 30 BEEERO CC#CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000248398140 135004718 /nfs/dbraw/zinc/00/47/18/135004718.db2.gz SUCFPDAEIUGUTE-MJBXVCDLSA-N 1 0 249.354 2.206 10 30 BEEERO N#CC1(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000337290984 135011140 /nfs/dbraw/zinc/01/11/40/135011140.db2.gz OEPXHJYQNFKNJX-MCIONIFRSA-N 1 0 248.370 2.306 10 30 BEEERO C[C@H](C#N)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248477725 135013597 /nfs/dbraw/zinc/01/35/97/135013597.db2.gz YXWOUSUMSMTHPY-ZNMIVQPWSA-N 1 0 249.402 2.485 10 30 BEEERO C=C(C[NH2+]Cc1nccn1C)c1ccccc1 ZINC000112346853 135026864 /nfs/dbraw/zinc/02/68/64/135026864.db2.gz YPMLKBDCUNSHAV-UHFFFAOYSA-N 1 0 227.311 2.223 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C1 ZINC000248994779 135029215 /nfs/dbraw/zinc/02/92/15/135029215.db2.gz OOWSUXAVAYPQAF-ITGHMWBKSA-N 1 0 234.343 2.226 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C1 ZINC000248994776 135029507 /nfs/dbraw/zinc/02/95/07/135029507.db2.gz OOWSUXAVAYPQAF-HTOAHKCRSA-N 1 0 234.343 2.226 10 30 BEEERO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095993 135121440 /nfs/dbraw/zinc/12/14/40/135121440.db2.gz PTDVUQXRRAGMCW-MGPQQGTHSA-N 1 0 221.344 2.025 10 30 BEEERO C[C@@H]1C[NH+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000087595023 135159012 /nfs/dbraw/zinc/15/90/12/135159012.db2.gz HSKXNQMPRBVEEI-GHMZBOCLSA-N 1 0 210.321 2.035 10 30 BEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042220668 135219346 /nfs/dbraw/zinc/21/93/46/135219346.db2.gz GJWAXMMNUQBGDM-QWHCGFSZSA-N 1 0 246.354 2.336 10 30 BEEERO C=CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000121629724 135225413 /nfs/dbraw/zinc/22/54/13/135225413.db2.gz FPJFFIFZRDJURU-STQMWFEESA-N 1 0 246.354 2.370 10 30 BEEERO CCc1ccc(NC(=[NH2+])N[C@H]2C[C@H]2C)cc1 ZINC000261979205 135268826 /nfs/dbraw/zinc/26/88/26/135268826.db2.gz HIOHUBMTOCGNOE-SKDRFNHKSA-N 1 0 217.316 2.384 10 30 BEEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)cc1 ZINC000261979203 135269172 /nfs/dbraw/zinc/26/91/72/135269172.db2.gz HIOHUBMTOCGNOE-JOYOIKCWSA-N 1 0 217.316 2.384 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CC[C@H]1C ZINC000262472887 135300803 /nfs/dbraw/zinc/30/08/03/135300803.db2.gz BMZJPIGJWLBAQE-ZYHUDNBSSA-N 1 0 247.342 2.358 10 30 BEEERO [NH2+]=C(NCC1(C(F)F)CC1)N1CCCCCC1 ZINC000262474695 135300885 /nfs/dbraw/zinc/30/08/85/135300885.db2.gz PWBBNQDLWAGZBX-UHFFFAOYSA-N 1 0 245.317 2.222 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1 ZINC000262503189 135303224 /nfs/dbraw/zinc/30/32/24/135303224.db2.gz AMYQNYKLJZADRB-STQMWFEESA-N 1 0 235.375 2.436 10 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2.342 10 30 BEEERO N#Cc1ccc(N2CCC3(CC[NH2+]3)CC2)c(F)c1 ZINC000335015809 135877864 /nfs/dbraw/zinc/87/78/64/135877864.db2.gz CJXMLTCKTDXMLE-UHFFFAOYSA-N 1 0 245.301 2.030 10 30 BEEERO C=C(Cl)CNc1c(N)c[nH+]cc1Cl ZINC000307191176 398019664 /nfs/dbraw/zinc/01/96/64/398019664.db2.gz KJGHELNSJPIMMH-UHFFFAOYSA-N 1 0 218.087 2.482 10 30 BEEERO C=CC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000662630476 409801394 /nfs/dbraw/zinc/80/13/94/409801394.db2.gz JXYNYRQVQXBFSB-CHWSQXEVSA-N 1 0 238.375 2.175 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000662951951 409986392 /nfs/dbraw/zinc/98/63/92/409986392.db2.gz ATWPGZPHBOSFJM-RYUDHWBXSA-N 1 0 238.375 2.365 10 30 BEEERO C#CC[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000053592300 166186981 /nfs/dbraw/zinc/18/69/81/166186981.db2.gz KMDJXBJXYSWGNT-UHFFFAOYSA-N 1 0 229.323 2.167 10 30 BEEERO C#CC[NH2+]C[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000053492844 166187855 /nfs/dbraw/zinc/18/78/55/166187855.db2.gz ZKPCOKHAOBNRLR-ZBFHGGJFSA-N 1 0 242.366 2.087 10 30 BEEERO C#CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000019875613 166191440 /nfs/dbraw/zinc/19/14/40/166191440.db2.gz DMVCZUSFENZUJL-NSHDSACASA-N 1 0 231.295 2.132 10 30 BEEERO C#CC[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000037184910 166192168 /nfs/dbraw/zinc/19/21/68/166192168.db2.gz BDDPYNGHASADON-LLVKDONJSA-N 1 0 202.301 2.291 10 30 BEEERO C=CCN1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750623 166357212 /nfs/dbraw/zinc/35/72/12/166357212.db2.gz OOIQGFLBWNLAJF-CYBMUJFWSA-N 1 0 248.282 2.154 10 30 BEEERO C=CC[N@H+]1CC[C@H]2Cc3c(O)cccc3C[C@@H]21 ZINC000013826578 166359548 /nfs/dbraw/zinc/35/95/48/166359548.db2.gz GNOHLPXINNYCLR-JSGCOSHPSA-N 1 0 229.323 2.367 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042863388 166388541 /nfs/dbraw/zinc/38/85/41/166388541.db2.gz XZFGYWCGULWENS-AGIUHOORSA-N 1 0 238.375 2.093 10 30 BEEERO C=CC[NH2+]CC(=O)Nc1ccccc1Cl ZINC000020033704 166398614 /nfs/dbraw/zinc/39/86/14/166398614.db2.gz NEFBKKHQAASOOZ-UHFFFAOYSA-N 1 0 224.691 2.054 10 30 BEEERO C=CC[NH2+]CCC(=O)c1cc(F)ccc1F ZINC000049819910 166399557 /nfs/dbraw/zinc/39/95/57/166399557.db2.gz JEBMPQHSELQHCW-UHFFFAOYSA-N 1 0 225.238 2.313 10 30 BEEERO C=CC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037185052 166406136 /nfs/dbraw/zinc/40/61/36/166406136.db2.gz PELRPZNZFDFKDV-GFCCVEGCSA-N 1 0 219.284 2.294 10 30 BEEERO CC(C)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000037460388 167137140 /nfs/dbraw/zinc/13/71/40/167137140.db2.gz MARKEKJTFZXOJS-AWEZNQCLSA-N 1 0 214.312 2.436 10 30 BEEERO C[C@H](C[NH3+])Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164088680 411187818 /nfs/dbraw/zinc/18/78/18/411187818.db2.gz JTCZMAXBCZGOJN-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO CC1CCC([N@H+](C)CCCC/C(N)=N\O)CC1 ZINC000049580284 168157885 /nfs/dbraw/zinc/15/78/85/168157885.db2.gz MDSVMBFRTMRIPP-UHFFFAOYSA-N 1 0 241.379 2.414 10 30 BEEERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054590478 170121143 /nfs/dbraw/zinc/12/11/43/170121143.db2.gz ZHHXQAUBORUBGP-QWHCGFSZSA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054590480 170123779 /nfs/dbraw/zinc/12/37/79/170123779.db2.gz ZHHXQAUBORUBGP-CHWSQXEVSA-N 1 0 200.285 2.271 10 30 BEEERO CCN[C@@](C)(C#N)CN1CCC(C)(C)CC1 ZINC000061821656 170155432 /nfs/dbraw/zinc/15/54/32/170155432.db2.gz RFHCQSCLEZVECI-ZDUSSCGKSA-N 1 0 223.364 2.000 10 30 BEEERO CCN[C@](C)(C#N)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000104347571 170169721 /nfs/dbraw/zinc/16/97/21/170169721.db2.gz FHZCNTKKZKKDBJ-KBPBESRZSA-N 1 0 237.391 2.390 10 30 BEEERO CCN[C@](C)(C#N)CCN1Cc2ccccc2C1 ZINC000050912113 170169869 /nfs/dbraw/zinc/16/98/69/170169869.db2.gz UUPUDJNOYNXEPY-HNNXBMFYSA-N 1 0 243.354 2.284 10 30 BEEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CC)CCO)C1 ZINC000037900147 171026503 /nfs/dbraw/zinc/02/65/03/171026503.db2.gz VIZVMLKLGDELFT-FRRDWIJNSA-N 1 0 224.348 2.019 10 30 BEEERO C=CCC1(NC(=O)[C@@H]([NH3+])CCC)CCCC1 ZINC000662889309 412337363 /nfs/dbraw/zinc/33/73/63/412337363.db2.gz WJYUSLHBXQLSHZ-NSHDSACASA-N 1 0 224.348 2.119 10 30 BEEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000105569341 172527154 /nfs/dbraw/zinc/52/71/54/172527154.db2.gz IKQYEBQXSHEDIF-GFCCVEGCSA-N 1 0 249.745 2.352 10 30 BEEERO CN1CCCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827715 173010284 /nfs/dbraw/zinc/01/02/84/173010284.db2.gz JQPVNIONPGNLOW-HZSPNIEDSA-N 1 0 235.375 2.143 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000062791050 173154223 /nfs/dbraw/zinc/15/42/23/173154223.db2.gz QSLAOIKALIMPAY-JTQLQIEISA-N 1 0 235.718 2.328 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)c2)C1 ZINC000061985337 173154440 /nfs/dbraw/zinc/15/44/40/173154440.db2.gz HPSIIGMUWGXGAY-NSHDSACASA-N 1 0 235.718 2.328 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052904220 173156444 /nfs/dbraw/zinc/15/64/44/173156444.db2.gz KVBNKRODBXXYNU-VIFPVBQESA-N 1 0 235.718 2.328 10 30 BEEERO CNC(Nc1ccc(Cl)c(Cl)c1)=[NH+]C ZINC000005699175 173211569 /nfs/dbraw/zinc/21/15/69/173211569.db2.gz IVDTXBFNCPABHZ-UHFFFAOYSA-N 1 0 232.114 2.420 10 30 BEEERO C[NH2+][C@H]1CCCc2cc(OCC#N)ccc21 ZINC000044745266 173463167 /nfs/dbraw/zinc/46/31/67/173463167.db2.gz DWOFOUYTDWDKQB-ZDUSSCGKSA-N 1 0 216.284 2.186 10 30 BEEERO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042518258 174285682 /nfs/dbraw/zinc/28/56/82/174285682.db2.gz JWCNEHBXMSUBNN-YRGRVCCFSA-N 1 0 236.359 2.426 10 30 BEEERO COCC[NH2+]Cc1ccccc1OCCCC#N ZINC000062729615 174335690 /nfs/dbraw/zinc/33/56/90/174335690.db2.gz HEDSDMZAXAZPID-UHFFFAOYSA-N 1 0 248.326 2.105 10 30 BEEERO COc1cc([C@@H](C)[NH3+])ccc1OCCCC#N ZINC000037698432 175012879 /nfs/dbraw/zinc/01/28/79/175012879.db2.gz CJFUUDBWLDTNBN-SNVBAGLBSA-N 1 0 234.299 2.397 10 30 BEEERO COc1ccccc1C1(C#N)CC[NH+](C)CC1 ZINC000041048591 175320198 /nfs/dbraw/zinc/32/01/98/175320198.db2.gz YNDKJIJDXPEOPM-UHFFFAOYSA-N 1 0 230.311 2.182 10 30 BEEERO COc1ccccc1C[N@@H+]1CCC[C@@H](C=O)C1 ZINC000054218171 175326973 /nfs/dbraw/zinc/32/69/73/175326973.db2.gz CXCZWLXBPCEJNR-GFCCVEGCSA-N 1 0 233.311 2.106 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049615257 176107999 /nfs/dbraw/zinc/10/79/99/176107999.db2.gz YLCROKHAGBUBHO-GFCCVEGCSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1cccc(F)c1C#N ZINC000335657150 176186648 /nfs/dbraw/zinc/18/66/48/176186648.db2.gz MBFSTKUECCBAOU-NOZJJQNGSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C#N)CCCO1 ZINC000061918424 176315487 /nfs/dbraw/zinc/31/54/87/176315487.db2.gz HVBOCMYVVMZVSS-JHJVBQTASA-N 1 0 222.332 2.180 10 30 BEEERO C[C@H](S)[C@H]1[NH2+]CCc2ccc(F)cc21 ZINC000083664471 177026150 /nfs/dbraw/zinc/02/61/50/177026150.db2.gz BJHWKRRPRARMDG-WRWORJQWSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049616052 177099687 /nfs/dbraw/zinc/09/96/87/177099687.db2.gz OMLKVWCCYULWIZ-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235660888 177163505 /nfs/dbraw/zinc/16/35/05/177163505.db2.gz GZMZCMJNYMOFDR-SWLSCSKDSA-N 1 0 243.354 2.117 10 30 BEEERO C[C@H]1CC[N@H+](Cc2ccccc2C#CCCO)C1 ZINC000049613586 177165264 /nfs/dbraw/zinc/16/52/64/177165264.db2.gz IIZLYCPUEKIZLZ-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1C[NH+]=C(NCc2cccc(C#N)c2)S1 ZINC000051667920 177281519 /nfs/dbraw/zinc/28/15/19/177281519.db2.gz FCTRIRGYFTVUKR-VIFPVBQESA-N 1 0 231.324 2.139 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1cccc(C#N)c1 ZINC000077367499 177300485 /nfs/dbraw/zinc/30/04/85/177300485.db2.gz DDCGJXYAYDVKIK-RYUDHWBXSA-N 1 0 230.311 2.167 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1ccccc1C#N ZINC000077368366 177300553 /nfs/dbraw/zinc/30/05/53/177300553.db2.gz GEXPRLMODCOTFR-RYUDHWBXSA-N 1 0 230.311 2.167 10 30 BEEERO C[C@H]1C[C@H](O)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000401963622 226363965 /nfs/dbraw/zinc/36/39/65/226363965.db2.gz QVKZTAPCQCCAAZ-STQMWFEESA-N 1 0 238.375 2.409 10 30 BEEERO Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308241883 229422773 /nfs/dbraw/zinc/42/27/73/229422773.db2.gz QDBMEIOIWDKESH-RISCZKNCSA-N 1 0 244.342 2.191 10 30 BEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160260781 323064576 /nfs/dbraw/zinc/06/45/76/323064576.db2.gz OUGZOGRMRQABKF-QWHCGFSZSA-N 1 0 246.354 2.336 10 30 BEEERO CC1(C)C[NH2+]C[C@H]1c1ccccc1C#N ZINC000536950842 323955222 /nfs/dbraw/zinc/95/52/22/323955222.db2.gz KZUDOEKUCQLJFN-LBPRGKRZSA-N 1 0 200.285 2.271 10 30 BEEERO C=C(Cl)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227384628 534442719 /nfs/dbraw/zinc/44/27/19/534442719.db2.gz KHEFJKRKTPPHSL-RYUDHWBXSA-N 1 0 228.767 2.298 10 30 BEEERO C=CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000308785255 534722002 /nfs/dbraw/zinc/72/20/02/534722002.db2.gz FNFLWWVQVQAUKQ-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367987920 534751289 /nfs/dbraw/zinc/75/12/89/534751289.db2.gz IANBDAZUYXBMOP-JHJVBQTASA-N 1 0 238.375 2.236 10 30 BEEERO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000121629423 534815558 /nfs/dbraw/zinc/81/55/58/534815558.db2.gz FPJFFIFZRDJURU-QWHCGFSZSA-N 1 0 246.354 2.370 10 30 BEEERO CC(C)(C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000336137296 534999145 /nfs/dbraw/zinc/99/91/45/534999145.db2.gz IHIQKAHVCJOPOY-UHFFFAOYSA-N 1 0 235.375 2.239 10 30 BEEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@H]1CC1(C)C ZINC000263260635 535265561 /nfs/dbraw/zinc/26/55/61/535265561.db2.gz SKADVIAEKZUYBG-MNOVXSKESA-N 1 0 225.380 2.385 10 30 BEEERO CC(C)[NH+]=C(NCCc1ccco1)N[C@@H]1C[C@H]1C ZINC000262647923 535337714 /nfs/dbraw/zinc/33/77/14/535337714.db2.gz IZAFWKJPDYVFTR-DGCLKSJQSA-N 1 0 249.358 2.174 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@]1(CC)C(C)C ZINC000263196008 535390622 /nfs/dbraw/zinc/39/06/22/535390622.db2.gz WNNGPHBFKYACRO-YPMHNXCESA-N 1 0 225.380 2.468 10 30 BEEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])NC(C)C ZINC000263186716 535884127 /nfs/dbraw/zinc/88/41/27/535884127.db2.gz UYZVDPQKVXYVEV-CMPLNLGQSA-N 1 0 211.353 2.124 10 30 BEEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])NC(C)C ZINC000263186721 535892953 /nfs/dbraw/zinc/89/29/53/535892953.db2.gz UYZVDPQKVXYVEV-ZYHUDNBSSA-N 1 0 211.353 2.124 10 30 BEEERO COC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000164258269 536739940 /nfs/dbraw/zinc/73/99/40/536739940.db2.gz DNZXOTKNKSLQTP-YWPUVAFDSA-N 1 0 222.332 2.226 10 30 BEEERO CC1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000043689777 582805617 /nfs/dbraw/zinc/80/56/17/582805617.db2.gz JGGHDUGGXNRYHE-UHFFFAOYSA-N 1 0 249.379 2.324 10 30 BEEERO Cc1cc(C#N)ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000203445640 583110295 /nfs/dbraw/zinc/11/02/95/583110295.db2.gz YJMBAVIUJCRMTN-CYBMUJFWSA-N 1 0 229.327 2.007 10 30 BEEERO CCCCCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000109139384 588523622 /nfs/dbraw/zinc/52/36/22/588523622.db2.gz GRVMQZLBDOCMOB-LLVKDONJSA-N 1 0 214.353 2.200 10 30 BEEERO CCNC(=[NH2+])NCC[C@@H]1CCC[C@@H](C)C1 ZINC000203548291 589246994 /nfs/dbraw/zinc/24/69/94/589246994.db2.gz ONHHRSAUJDFRNN-MNOVXSKESA-N 1 0 211.353 2.127 10 30 BEEERO CC[C@@H](C)C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119418881 589282969 /nfs/dbraw/zinc/28/29/69/589282969.db2.gz YJOYGVIBLJVQIA-OLZOCXBDSA-N 1 0 239.359 2.309 10 30 BEEERO CC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000126275045 590262850 /nfs/dbraw/zinc/26/28/50/590262850.db2.gz VYGHQUCXSUOTKI-NSHDSACASA-N 1 0 218.300 2.429 10 30 BEEERO C=CC[N@@H+](C)C[C@H](O)c1ccccc1C ZINC000127141135 590574713 /nfs/dbraw/zinc/57/47/13/590574713.db2.gz MUKIKBNQOWXJRQ-ZDUSSCGKSA-N 1 0 205.301 2.146 10 30 BEEERO CCNC(NCc1c(C)cccc1C)=[NH+]CC ZINC000130686723 591499774 /nfs/dbraw/zinc/49/97/74/591499774.db2.gz KZMVXDBVSGCTQZ-UHFFFAOYSA-N 1 0 233.359 2.378 10 30 BEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)c(Cl)c1 ZINC000215715887 591976269 /nfs/dbraw/zinc/97/62/69/591976269.db2.gz BMZIYUPXSKRJFE-PELKAZGASA-N 1 0 235.718 2.138 10 30 BEEERO CCCCCCCC(=O)NCC1CC([NH3+])C1 ZINC000091538173 632059404 /nfs/dbraw/zinc/05/94/04/632059404.db2.gz PXEHZTBXKVYVOD-UHFFFAOYSA-N 1 0 226.364 2.200 10 30 BEEERO CCCCCCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309237953 632832711 /nfs/dbraw/zinc/83/27/11/632832711.db2.gz VRYQKILNXYCEQO-VXGBXAGGSA-N 1 0 226.364 2.295 10 30 BEEERO CC(C)(CO)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000169013856 633153645 /nfs/dbraw/zinc/15/36/45/633153645.db2.gz GSHNYAKIJNDCAY-UHFFFAOYSA-N 1 0 238.718 2.072 10 30 BEEERO CCOC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814386 636025287 /nfs/dbraw/zinc/02/52/87/636025287.db2.gz SZIKEZHIESNDOM-ZDUSSCGKSA-N 1 0 217.312 2.053 10 30 BEEERO CC(C)C[N@H+](CCC#N)C[C@@H]1CCC[C@H](O)C1 ZINC000310196978 634085524 /nfs/dbraw/zinc/08/55/24/634085524.db2.gz ZXHSBRCLFPECBM-KGLIPLIRSA-N 1 0 238.375 2.409 10 30 BEEERO CC(C)C[N@H+](CCC#N)C[C@H]1CCC[C@H](O)C1 ZINC000310196977 635378696 /nfs/dbraw/zinc/37/86/96/635378696.db2.gz ZXHSBRCLFPECBM-KBPBESRZSA-N 1 0 238.375 2.409 10 30 BEEERO CC#CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000252834356 636929185 /nfs/dbraw/zinc/92/91/85/636929185.db2.gz QYKFPTLQTHVFJH-CABCVRRESA-N 1 0 234.387 2.349 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000054825070 640412233 /nfs/dbraw/zinc/41/22/33/640412233.db2.gz OKPNWVXSOHLDQZ-KFWWJZLASA-N 1 0 244.338 2.392 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000226608125 640778991 /nfs/dbraw/zinc/77/89/91/640778991.db2.gz OKPNWVXSOHLDQZ-SOUVJXGZSA-N 1 0 244.338 2.392 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCc2cccnc21 ZINC000226819633 640793797 /nfs/dbraw/zinc/79/37/97/640793797.db2.gz FRDOLONHHXKVGX-RWMBFGLXSA-N 1 0 227.311 2.351 10 30 BEEERO CC(C)CCN(CCC(C)C)/C(N)=[NH+]/O ZINC000232548603 641302505 /nfs/dbraw/zinc/30/25/05/641302505.db2.gz YUNUMFQECZAPDZ-UHFFFAOYSA-N 1 0 215.341 2.085 10 30 BEEERO CC[NH2+]CCCNc1nc(Cl)c(C#N)s1 ZINC000233512090 642676616 /nfs/dbraw/zinc/67/66/16/642676616.db2.gz GQZUHRSKZFEUJW-UHFFFAOYSA-N 1 0 244.751 2.080 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000070191050 642989744 /nfs/dbraw/zinc/98/97/44/642989744.db2.gz XEKPTQIURQAPJN-UHFFFAOYSA-N 1 0 225.238 2.401 10 30 BEEERO C[C@H]([NH3+])CCNc1nc2ccccc2cc1C#N ZINC000071386109 643138936 /nfs/dbraw/zinc/13/89/36/643138936.db2.gz ZYHTZVWLYCNZDT-JTQLQIEISA-N 1 0 240.310 2.256 10 30 BEEERO C=CC[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252912404 643139756 /nfs/dbraw/zinc/13/97/56/643139756.db2.gz KMWFMQICMWVQSF-STQMWFEESA-N 1 0 208.349 2.121 10 30 BEEERO C=C[C@@H](C)NC(=S)Nc1ccccc1C[NH3+] ZINC000757136050 643279030 /nfs/dbraw/zinc/27/90/30/643279030.db2.gz YLODJLBWGFTDJG-SECBINFHSA-N 1 0 235.356 2.006 10 30 BEEERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000050373700 643691443 /nfs/dbraw/zinc/69/14/43/643691443.db2.gz HUTAUTMNMQLHAP-UONOGXRCSA-N 1 0 248.301 2.354 10 30 BEEERO CSC1CC([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000706929384 712161622 /nfs/dbraw/zinc/16/16/22/712161622.db2.gz SWLLSOWSSAJMRT-AGVGLQIMSA-N 1 0 210.346 2.162 10 30 BEEERO CSC1CC([NH2+]Cc2ccc(C#N)o2)C1 ZINC000708245266 712185091 /nfs/dbraw/zinc/18/50/91/712185091.db2.gz XIRHJFOZPUSYFX-UHFFFAOYSA-N 1 0 222.313 2.135 10 30 BEEERO C[C@@H](C#N)CN(C)CCSC(F)(F)F ZINC000123450858 712693714 /nfs/dbraw/zinc/69/37/14/712693714.db2.gz BUODPHIGDJOQGL-ZETCQYMHSA-N 1 0 226.267 2.331 10 30 BEEERO C=CCNC(=O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719273924 712802689 /nfs/dbraw/zinc/80/26/89/712802689.db2.gz CKTJKRJNCNULNM-GFCCVEGCSA-N 1 0 238.375 2.237 10 30 BEEERO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cn(C)nn1 ZINC000720550996 712850285 /nfs/dbraw/zinc/85/02/85/712850285.db2.gz ADFVGXRNEZMHEM-NSHDSACASA-N 1 0 249.362 2.186 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722328594 710708145 /nfs/dbraw/zinc/70/81/45/710708145.db2.gz AMRSBTYTDYSUQC-RFQIPJPRSA-N 1 0 234.343 2.226 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723604277 711524563 /nfs/dbraw/zinc/52/45/63/711524563.db2.gz BGPRNDPYVKYRCI-FQKPHLNHSA-N 1 0 248.370 2.473 10 30 BEEERO C#C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(C)(C)C ZINC000702244959 712041783 /nfs/dbraw/zinc/04/17/83/712041783.db2.gz WBMKQGQCESUSQO-UPJWGTAASA-N 1 0 221.344 2.191 10 30 BEEERO CSC1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000706929389 712161850 /nfs/dbraw/zinc/16/18/50/712161850.db2.gz SWLLSOWSSAJMRT-SFXRXQKFSA-N 1 0 210.346 2.162 10 30 BEEERO CCCCCCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708856559 712201530 /nfs/dbraw/zinc/20/15/30/712201530.db2.gz UUOGCYDYJAABCM-QWHCGFSZSA-N 1 0 240.391 2.400 10 30 BEEERO C[C@H](C#N)OCC[NH2+]C1(C2CCC2)CCC1 ZINC000717853950 712396389 /nfs/dbraw/zinc/39/63/89/712396389.db2.gz QYQBDVCCEKKABY-LLVKDONJSA-N 1 0 222.332 2.227 10 30 BEEERO CN(c1ncccc1C#N)C1(C[NH3+])CCCCC1 ZINC000713299262 712458620 /nfs/dbraw/zinc/45/86/20/712458620.db2.gz WAUUMQZTVSOPJM-UHFFFAOYSA-N 1 0 244.342 2.051 10 30 BEEERO N#Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000715152582 712512975 /nfs/dbraw/zinc/51/29/75/712512975.db2.gz NPDRBXAMCBUZBU-WAAGHKOSSA-N 1 0 235.718 2.361 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C#N)cc1 ZINC000721098606 712890704 /nfs/dbraw/zinc/89/07/04/712890704.db2.gz UUDGENILEZFNAF-DGCLKSJQSA-N 1 0 229.327 2.216 10 30 BEEERO C#CCCCOc1cccnc1[N+](C)(C)C ZINC000143597763 717152950 /nfs/dbraw/zinc/15/29/50/717152950.db2.gz XPSZCKKOHOMJRS-UHFFFAOYSA-N 1 0 219.308 2.071 10 30 BEEERO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000134585811 1167828127 /nfs/dbraw/zinc/82/81/27/1167828127.db2.gz WBENVXHVIXEOND-NXEZZACHSA-N 1 0 207.321 2.344 10 30 BEEERO N#CCCC[NH2+]CCc1ccc(F)cc1 ZINC000020041493 967818353 /nfs/dbraw/zinc/81/83/53/967818353.db2.gz IVXWMYPRAMMJAR-UHFFFAOYSA-N 1 0 206.264 2.262 10 30 BEEERO CC(C)C[N@@H+]1CCc2c(C#N)c(N)sc2C1 ZINC000041583139 1171186564 /nfs/dbraw/zinc/18/65/64/1171186564.db2.gz SOCMKUWDQUGVSE-UHFFFAOYSA-N 1 0 235.356 2.216 10 30 BEEERO C=C(C)CC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685958940 538906426 /nfs/dbraw/zinc/90/64/26/538906426.db2.gz GFOULLPJFLMCAZ-DOMZBBRYSA-N 1 0 247.338 2.454 10 30 BEEERO C=CCCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962186 538909249 /nfs/dbraw/zinc/90/92/49/538909249.db2.gz XLQQXCXNQIXWFU-WFASDCNBSA-N 1 0 247.338 2.454 10 30 BEEERO Cc1cc(CC[NH3+])cc(C)c1OCCCC#N ZINC000037720264 177962789 /nfs/dbraw/zinc/96/27/89/177962789.db2.gz XUXIAOXQWZIUPM-UHFFFAOYSA-N 1 0 232.327 2.487 10 30 BEEERO Cc1cc(N[C@H](C[NH3+])C(C)C)ccc1C#N ZINC000088124405 178187356 /nfs/dbraw/zinc/18/73/56/178187356.db2.gz HHKFVQVEXRVUGH-CYBMUJFWSA-N 1 0 217.316 2.262 10 30 BEEERO Cc1ccc(C#N)c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000110793689 178364172 /nfs/dbraw/zinc/36/41/72/178364172.db2.gz SHGDFKYCNOHWCP-GFCCVEGCSA-N 1 0 244.342 2.063 10 30 BEEERO Cc1ccc(C#N)c(N[C@H](C)CCCC[NH3+])n1 ZINC000336691164 178365645 /nfs/dbraw/zinc/36/56/45/178365645.db2.gz HLWWDFFWCLDGEN-SNVBAGLBSA-N 1 0 232.331 2.191 10 30 BEEERO CC[N@@H+]1CCC[C@H](Nc2nccc(C)c2C#N)C1 ZINC000211622888 398272647 /nfs/dbraw/zinc/27/26/47/398272647.db2.gz AKCQVWLSXAOZQZ-LBPRGKRZSA-N 1 0 244.342 2.158 10 30 BEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)cc1 ZINC000320625092 342734512 /nfs/dbraw/zinc/73/45/12/342734512.db2.gz AMKGXVSOYFXDMQ-NXEZZACHSA-N 1 0 203.289 2.096 10 30 BEEERO C=CCOCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000379979136 538983174 /nfs/dbraw/zinc/98/31/74/538983174.db2.gz GKIMOHFASVCALO-RYUDHWBXSA-N 1 0 215.312 2.307 10 30 BEEERO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000379979139 538983455 /nfs/dbraw/zinc/98/34/55/538983455.db2.gz GKIMOHFASVCALO-VXGBXAGGSA-N 1 0 215.312 2.307 10 30 BEEERO OCC1([NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000053096916 539012177 /nfs/dbraw/zinc/01/21/77/539012177.db2.gz DDNNMFWZJRXEAH-UHFFFAOYSA-N 1 0 243.350 2.323 10 30 BEEERO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(C)o1 ZINC000389979283 539019214 /nfs/dbraw/zinc/01/92/14/539019214.db2.gz HNRHWWGACMEOGM-MNOVXSKESA-N 1 0 209.289 2.176 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCS[C@H]1C ZINC000220694314 343112187 /nfs/dbraw/zinc/11/21/87/343112187.db2.gz JHUPTHAMOLLNNW-YUMQZZPRSA-N 1 0 236.178 2.379 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310163727 343358111 /nfs/dbraw/zinc/35/81/11/343358111.db2.gz RBCOXDSQJDYLEM-ZIAGYGMSSA-N 1 0 236.359 2.475 10 30 BEEERO CC(C)CCOCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054828251 136373173 /nfs/dbraw/zinc/37/31/73/136373173.db2.gz PQJWYVCFYSXOEA-OLZOCXBDSA-N 1 0 224.348 2.331 10 30 BEEERO C#CC[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000035660582 166191965 /nfs/dbraw/zinc/19/19/65/166191965.db2.gz UBXVPZAZXGHYEK-LLVKDONJSA-N 1 0 233.311 2.125 10 30 BEEERO C=C([C@H]([NH3+])c1ccncc1)C(F)(F)F ZINC000306227633 343763356 /nfs/dbraw/zinc/76/33/56/343763356.db2.gz GWWWDYTYGHKRNU-QMMMGPOBSA-N 1 0 202.179 2.200 10 30 BEEERO C#CCn1cc(CC[NH2+]C)c(-c2ccsc2)n1 ZINC000409437334 343843065 /nfs/dbraw/zinc/84/30/65/343843065.db2.gz GDSZXRZVMIDFHC-UHFFFAOYSA-N 1 0 245.351 2.007 10 30 BEEERO N#Cc1cc(Cl)ccc1NCC[NH2+]C1CC1 ZINC000054267938 343885015 /nfs/dbraw/zinc/88/50/15/343885015.db2.gz RHYFYTFPLSSJEQ-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO CC(C)=CC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000135410745 344266119 /nfs/dbraw/zinc/26/61/19/344266119.db2.gz KLTIOVPXXZCTLG-CYBMUJFWSA-N 1 0 203.285 2.396 10 30 BEEERO CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1C#N ZINC000054824029 344457709 /nfs/dbraw/zinc/45/77/09/344457709.db2.gz KFVFKGHIRQHZMZ-UONOGXRCSA-N 1 0 237.391 2.390 10 30 BEEERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)OC ZINC000381175120 344482156 /nfs/dbraw/zinc/48/21/56/344482156.db2.gz CYQYKVAZNGNWHR-RVMXOQNASA-N 1 0 224.348 2.329 10 30 BEEERO CCCC(CCC)=NOC[C@@H](O)C[NH2+]C(C)C ZINC000029347404 344575839 /nfs/dbraw/zinc/57/58/39/344575839.db2.gz UWBOPSQOZJDCFK-ZDUSSCGKSA-N 1 0 244.379 2.318 10 30 BEEERO C=CCCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000119917795 344680547 /nfs/dbraw/zinc/68/05/47/344680547.db2.gz VXBANDIHLRXFJP-UHFFFAOYSA-N 1 0 238.375 2.143 10 30 BEEERO C[C@H](COCc1ccccc1)[NH2+]CCC#N ZINC000306985016 344649010 /nfs/dbraw/zinc/64/90/10/344649010.db2.gz VVUUNTCIYMTDHD-GFCCVEGCSA-N 1 0 218.300 2.095 10 30 BEEERO C=CC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000385054849 344844262 /nfs/dbraw/zinc/84/42/62/344844262.db2.gz RWRBRMYHROJHIW-UHFFFAOYSA-N 1 0 207.321 2.030 10 30 BEEERO C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000408242738 344878826 /nfs/dbraw/zinc/87/88/26/344878826.db2.gz XTUTWYHDDMJGGB-YIYPIFLZSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000235379168 344898031 /nfs/dbraw/zinc/89/80/31/344898031.db2.gz OAKFFBVQNCIRSC-FDYHWXHSSA-N 1 0 222.332 2.226 10 30 BEEERO CC#CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000155335873 345077809 /nfs/dbraw/zinc/07/78/09/345077809.db2.gz JRBKBGHPSUOAQZ-UHFFFAOYSA-N 1 0 217.316 2.003 10 30 BEEERO C=C(Br)CN1CCC[C@]12CCOC2 ZINC000306214807 345123338 /nfs/dbraw/zinc/12/33/38/345123338.db2.gz HCNWIHDJGBNXFQ-SNVBAGLBSA-N 1 0 246.148 2.150 10 30 BEEERO C=C[C@H]([NH3+])c1cccnc1C(F)(F)F ZINC000238603670 345089599 /nfs/dbraw/zinc/08/95/99/345089599.db2.gz ATRRPFUIKGHRFB-ZETCQYMHSA-N 1 0 202.179 2.286 10 30 BEEERO N#Cc1c(F)cccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493136 345095824 /nfs/dbraw/zinc/09/58/24/345095824.db2.gz DSQFDRHECCATIN-JTQLQIEISA-N 1 0 233.290 2.251 10 30 BEEERO Cc1ccc([C@H]2CN(CCCC#N)CCO2)o1 ZINC000158942185 345390218 /nfs/dbraw/zinc/39/02/18/345390218.db2.gz JXNBGPQHVXMUBT-CYBMUJFWSA-N 1 0 234.299 2.265 10 30 BEEERO [NH3+]CCCCCCCCCCCC(=O)NO ZINC000167394883 345789570 /nfs/dbraw/zinc/78/95/70/345789570.db2.gz QUBISUNNAAPTOD-UHFFFAOYSA-N 1 0 230.352 2.352 10 30 BEEERO N#Cc1ccc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000142795036 345863811 /nfs/dbraw/zinc/86/38/11/345863811.db2.gz NXKNGWUVAZLJOG-UHFFFAOYSA-N 1 0 245.282 2.452 10 30 BEEERO C#C[C@H]([NH3+])c1cccc(C)c1Br ZINC000235804396 345916322 /nfs/dbraw/zinc/91/63/22/345916322.db2.gz ADYYZHPFHNZXSN-VIFPVBQESA-N 1 0 224.101 2.391 10 30 BEEERO CC(C)(C)OC(=O)N=CNc1ccc(C[NH3+])cc1 ZINC000144673489 345923233 /nfs/dbraw/zinc/92/32/33/345923233.db2.gz QREPSGZXXAFOLU-UHFFFAOYSA-N 1 0 249.314 2.330 10 30 BEEERO CC[C@](C)(C[NH2+][C@H]1CCCC[C@H]1C#N)OC ZINC000322636369 345956111 /nfs/dbraw/zinc/95/61/11/345956111.db2.gz SLQNOWCJEROQNW-RWMBFGLXSA-N 1 0 224.348 2.473 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300229604 345994484 /nfs/dbraw/zinc/99/44/84/345994484.db2.gz GBIVZUAOVLKOFC-GRYCIOLGSA-N 1 0 224.373 2.411 10 30 BEEERO C=CC[C@@H]1c2cc(N)ccc2CC[N@H+]1C ZINC000034562988 346028373 /nfs/dbraw/zinc/02/83/73/346028373.db2.gz WQDRWCFGOGHZEM-CYBMUJFWSA-N 1 0 202.301 2.374 10 30 BEEERO C=C(C)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000161271334 346167418 /nfs/dbraw/zinc/16/74/18/346167418.db2.gz BKZNESRKDZOXPD-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO C[C@@H]([NH3+])C#Cc1cscc1Br ZINC000167001489 346180774 /nfs/dbraw/zinc/18/07/74/346180774.db2.gz FQYHWLDHVDMSAC-ZCFIWIBFSA-N 1 0 230.130 2.209 10 30 BEEERO COC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000309558791 347101419 /nfs/dbraw/zinc/10/14/19/347101419.db2.gz KKFIQFLUDKTTBN-VXGBXAGGSA-N 1 0 222.332 2.227 10 30 BEEERO C=C(Cl)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000164062861 346588286 /nfs/dbraw/zinc/58/82/86/346588286.db2.gz KTHMZQJFZLWALR-UWVGGRQHSA-N 1 0 203.713 2.022 10 30 BEEERO Cc1cccc([C@@H](C[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967485 179184020 /nfs/dbraw/zinc/18/40/20/179184020.db2.gz WNUJMSAVEKPAMR-GXTWGEPZSA-N 1 0 231.343 2.086 10 30 BEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC1(CC#N)CC1 ZINC000092628719 347186489 /nfs/dbraw/zinc/18/64/89/347186489.db2.gz FSKZRUJTVHRXEL-CYBMUJFWSA-N 1 0 235.375 2.096 10 30 BEEERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967488 179204148 /nfs/dbraw/zinc/20/41/48/179204148.db2.gz KAUAFZSVNDYYBY-GUTXKFCHSA-N 1 0 245.370 2.475 10 30 BEEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1nn(C)cc1CC#N ZINC000675055294 537988958 /nfs/dbraw/zinc/98/89/58/537988958.db2.gz ZJSJANHSDKJTJD-RYUDHWBXSA-N 1 0 246.358 2.249 10 30 BEEERO CC(C)(C)OCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000590959121 347594641 /nfs/dbraw/zinc/59/46/41/347594641.db2.gz GELJPAXXQFVXEG-NWDGAFQWSA-N 1 0 224.348 2.473 10 30 BEEERO Cc1ccccc1C[N@@H+](CC/C(N)=N/O)C(C)C ZINC000042529104 179272143 /nfs/dbraw/zinc/27/21/43/179272143.db2.gz DVBHSDZBGHQKSD-UHFFFAOYSA-N 1 0 249.358 2.342 10 30 BEEERO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000592122693 347737710 /nfs/dbraw/zinc/73/77/10/347737710.db2.gz LYPGPGWBQOHGMK-OCCSQVGLSA-N 1 0 229.327 2.214 10 30 BEEERO C#C[C@@](C)(COC)[NH2+]CC1CCCCC1 ZINC000616570410 348065768 /nfs/dbraw/zinc/06/57/68/348065768.db2.gz RWAYMLBTKOLKGN-ZDUSSCGKSA-N 1 0 209.333 2.195 10 30 BEEERO COCCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054827737 348678576 /nfs/dbraw/zinc/67/85/76/348678576.db2.gz NFSFEIRQKIUGQB-NEPJUHHUSA-N 1 0 210.321 2.085 10 30 BEEERO CC(C)(C)[C@H]1CCCC[C@@]1(C#N)N1CC[NH2+]CC1 ZINC000019401730 187417620 /nfs/dbraw/zinc/41/76/20/187417620.db2.gz ARPRSBCYUGESSA-HIFRSBDPSA-N 1 0 249.402 2.390 10 30 BEEERO CCCC1CC[NH+](CCCC/C(N)=N/O)CC1 ZINC000050893869 168607681 /nfs/dbraw/zinc/60/76/81/168607681.db2.gz VQELWFZJHIZCGE-UHFFFAOYSA-N 1 0 241.379 2.415 10 30 BEEERO CC#CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000155949679 191081607 /nfs/dbraw/zinc/08/16/07/191081607.db2.gz QVZNABDINHATLJ-AWEZNQCLSA-N 1 0 231.343 2.069 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000083640400 350264958 /nfs/dbraw/zinc/26/49/58/350264958.db2.gz VWKLWESRWRHPOS-GFCCVEGCSA-N 1 0 224.348 2.163 10 30 BEEERO N#[N+]N=C(NO)c1ccccc1[N+](=O)[O-] ZINC000212570673 538089387 /nfs/dbraw/zinc/08/93/87/538089387.db2.gz WKBKVUFSPYIAPJ-JXMROGBWSA-N 1 0 207.149 2.041 10 30 BEEERO C=C(C)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000334451082 350488777 /nfs/dbraw/zinc/48/87/77/350488777.db2.gz URTNQCULPJEBRR-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000616602078 350791087 /nfs/dbraw/zinc/79/10/87/350791087.db2.gz SAWAKCSYQBFWBL-CYBMUJFWSA-N 1 0 244.338 2.120 10 30 BEEERO CCCC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336682980 350910207 /nfs/dbraw/zinc/91/02/07/350910207.db2.gz DJCOFKOBBIZKGM-UPJWGTAASA-N 1 0 224.348 2.473 10 30 BEEERO C=CCC[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000128988424 350954436 /nfs/dbraw/zinc/95/44/36/350954436.db2.gz SVSMCXBVKSMVAP-NSHDSACASA-N 1 0 219.284 2.424 10 30 BEEERO C#CC[C@@H]([NH2+]C)c1coc(Br)c1 ZINC000306810272 351064277 /nfs/dbraw/zinc/06/42/77/351064277.db2.gz UDEMZLPDXVXPBY-MRVPVSSYSA-N 1 0 228.089 2.326 10 30 BEEERO N#Cc1ccc([C@@H]2CCC[N@@H+](CCO)CC2)cc1 ZINC000616629684 351100655 /nfs/dbraw/zinc/10/06/55/351100655.db2.gz ZHKFYZXOHVQDHO-CQSZACIVSA-N 1 0 244.338 2.120 10 30 BEEERO N#Cc1ccc([C@@H]2CCCCCN2CC[NH3+])cc1 ZINC000616625904 351087034 /nfs/dbraw/zinc/08/70/34/351087034.db2.gz XJMYZGAYUJZJMP-HNNXBMFYSA-N 1 0 243.354 2.434 10 30 BEEERO N#Cc1csc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000086500214 351166019 /nfs/dbraw/zinc/16/60/19/351166019.db2.gz BLHMKXIFNQDDGU-QWRGUYRKSA-N 1 0 236.340 2.013 10 30 BEEERO CC[N@@H+]1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666338 351226675 /nfs/dbraw/zinc/22/66/75/351226675.db2.gz OTKMZJHCCSPUEM-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO [NH3+]CC#Cc1ccsc1C(F)(F)F ZINC000307028928 351430751 /nfs/dbraw/zinc/43/07/51/351430751.db2.gz BREDQSXTZDIKNP-UHFFFAOYSA-N 1 0 205.204 2.077 10 30 BEEERO C=C(C)[C@@H]([NH2+]Cc1ccccc1)[C@@H](C)O ZINC000075606740 187533488 /nfs/dbraw/zinc/53/34/88/187533488.db2.gz ZSSNLIFLCOKGQZ-DGCLKSJQSA-N 1 0 205.301 2.102 10 30 BEEERO C=C[C@@H]([NH3+])c1nscc1Br ZINC000404757866 352047480 /nfs/dbraw/zinc/04/74/80/352047480.db2.gz CQOJOWPWJNOWJK-RXMQYKEDSA-N 1 0 219.107 2.091 10 30 BEEERO C[C@H]([NH2+]Cc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000230632517 352183155 /nfs/dbraw/zinc/18/31/55/352183155.db2.gz MYHUNAQUDUYTLZ-GWCFXTLKSA-N 1 0 248.301 2.354 10 30 BEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000037738401 187741821 /nfs/dbraw/zinc/74/18/21/187741821.db2.gz MBYJWZUJQWSOHL-CQSZACIVSA-N 1 0 247.338 2.378 10 30 BEEERO CN/C(=[NH+]\C)SCc1csc(C)c1 ZINC000307432584 352595096 /nfs/dbraw/zinc/59/50/96/352595096.db2.gz NBYUEXSSBYEVBA-UHFFFAOYSA-N 1 0 214.359 2.495 10 30 BEEERO CNC(Nc1cccc(Br)c1)=[NH+]C ZINC000307465166 352615365 /nfs/dbraw/zinc/61/53/65/352615365.db2.gz MLGCLCAJMCHJJQ-UHFFFAOYSA-N 1 0 242.120 2.066 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CCO1 ZINC000300385841 352562198 /nfs/dbraw/zinc/56/21/98/352562198.db2.gz OAKFFBVQNCIRSC-XQHKEYJVSA-N 1 0 222.332 2.226 10 30 BEEERO N#C[C@H](c1ccccc1Cl)N1CCC[NH2+]CC1 ZINC000037940510 187771345 /nfs/dbraw/zinc/77/13/45/187771345.db2.gz ULTVFRJEOAYHSM-CYBMUJFWSA-N 1 0 249.745 2.200 10 30 BEEERO C#CCCOc1cc(OCCC)ccc1CC[NH3+] ZINC000037719781 187806938 /nfs/dbraw/zinc/80/69/38/187806938.db2.gz HBVDUCQTCQUNHX-UHFFFAOYSA-N 1 0 247.338 2.379 10 30 BEEERO C=C(C)CNc1c(N)c[nH+]cc1Br ZINC000232462127 352719723 /nfs/dbraw/zinc/71/97/23/352719723.db2.gz AGTAEWOTNPNAAP-UHFFFAOYSA-N 1 0 242.120 2.414 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H](CC[NH3+])C(F)F ZINC000383430200 352979482 /nfs/dbraw/zinc/97/94/82/352979482.db2.gz HOEUWGCZMSJWKT-JTQLQIEISA-N 1 0 243.232 2.092 10 30 BEEERO CC1(C#N)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383425186 352954336 /nfs/dbraw/zinc/95/43/36/352954336.db2.gz BAYWAUWHJSXBRA-CHWSQXEVSA-N 1 0 236.359 2.163 10 30 BEEERO C#CC[N@@H+](CCC(C)=O)Cc1ccccc1 ZINC000215470924 353132648 /nfs/dbraw/zinc/13/26/48/353132648.db2.gz ZKYLYCGGMHPAQE-UHFFFAOYSA-N 1 0 215.296 2.101 10 30 BEEERO CC(C)=C[NH+]1CCN(CC/[NH+]=C/C(C)C)CC1 ZINC000111909734 188099033 /nfs/dbraw/zinc/09/90/33/188099033.db2.gz XRVOMWFWRKPBNF-RVDMUPIBSA-N 1 0 237.391 2.255 10 30 BEEERO CC(C)N(CCC#N)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042529965 188120580 /nfs/dbraw/zinc/12/05/80/188120580.db2.gz COEPQKUSUXVNMS-STQMWFEESA-N 1 0 223.364 2.270 10 30 BEEERO C=C(Cl)C[NH2+][C@]1(CO)CCC[C@@H](C)C1 ZINC000053126157 188160561 /nfs/dbraw/zinc/16/05/61/188160561.db2.gz LITJXMWDNDFQIA-MWLCHTKSSA-N 1 0 217.740 2.270 10 30 BEEERO C#CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000070073176 353253385 /nfs/dbraw/zinc/25/33/85/353253385.db2.gz OKQLWUQHZGFVGN-NSHDSACASA-N 1 0 233.311 2.378 10 30 BEEERO C#CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000070197449 353253412 /nfs/dbraw/zinc/25/34/12/353253412.db2.gz UGZRIRSWTAPPCX-NSHDSACASA-N 1 0 231.295 2.132 10 30 BEEERO C=C(C)COc1cc2c(cc1C[NH2+]CC)OCO2 ZINC000042874514 188216918 /nfs/dbraw/zinc/21/69/18/188216918.db2.gz OKGQKYYDCVDRTM-UHFFFAOYSA-N 1 0 249.310 2.480 10 30 BEEERO C#CCN1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042859333 188217119 /nfs/dbraw/zinc/21/71/19/188217119.db2.gz PMMYONOQKVJSPL-CABCVRRESA-N 1 0 248.414 2.500 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094446041 353513116 /nfs/dbraw/zinc/51/31/16/353513116.db2.gz ZLWFFQIGVYOLMX-ZIAGYGMSSA-N 1 0 249.402 2.485 10 30 BEEERO C=C(Cl)CNc1cc(N)cc(Cl)n1 ZINC000229541583 353524617 /nfs/dbraw/zinc/52/46/17/353524617.db2.gz NRVSWVIGEHUTRQ-UHFFFAOYSA-N 1 0 218.087 2.482 10 30 BEEERO CC#CC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000135020182 353525614 /nfs/dbraw/zinc/52/56/14/353525614.db2.gz LBPVQGOZYAOVKK-LLVKDONJSA-N 1 0 233.311 2.378 10 30 BEEERO CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000383535554 353890200 /nfs/dbraw/zinc/89/02/00/353890200.db2.gz JFYUPXFOZHXJPQ-STQMWFEESA-N 1 0 224.348 2.473 10 30 BEEERO N#CC1(N2CCC[NH2+]CC2)CCCCCCC1 ZINC000037940531 181029897 /nfs/dbraw/zinc/02/98/97/181029897.db2.gz CLXNRFOZIPPCQL-UHFFFAOYSA-N 1 0 235.375 2.288 10 30 BEEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]C1CCOCC1 ZINC000054825378 181058341 /nfs/dbraw/zinc/05/83/41/181058341.db2.gz JQEIVZYFWNVVOT-WCQYABFASA-N 1 0 222.332 2.227 10 30 BEEERO N#Cc1c(Cl)cccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255434 181073746 /nfs/dbraw/zinc/07/37/46/181073746.db2.gz QVUIINYBHXYOTQ-VIFPVBQESA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335576338 181076452 /nfs/dbraw/zinc/07/64/52/181076452.db2.gz BWTDQZRVQSZPPF-UWVGGRQHSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000052859403 181087303 /nfs/dbraw/zinc/08/73/03/181087303.db2.gz VHKFJGMHPFNNFM-VIFPVBQESA-N 1 0 236.702 2.200 10 30 BEEERO N#Cc1ccc(-c2cncc(C[NH3+])c2)s1 ZINC000082642824 181095799 /nfs/dbraw/zinc/09/57/99/181095799.db2.gz LBMMLZNMXSXIFH-UHFFFAOYSA-N 1 0 215.281 2.140 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232455412 363372761 /nfs/dbraw/zinc/37/27/61/363372761.db2.gz MNFLKXTXSATERT-UWVGGRQHSA-N 1 0 246.148 2.052 10 30 BEEERO N#Cc1ccc(F)c(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000051815456 181112341 /nfs/dbraw/zinc/11/23/41/181112341.db2.gz XMWBUIRBTSKSRF-GFCCVEGCSA-N 1 0 248.301 2.214 10 30 BEEERO N#Cc1ccc(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000062791299 181119718 /nfs/dbraw/zinc/11/97/18/181119718.db2.gz ZXGSTTYTKMGGHT-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c1 ZINC000037749252 181138322 /nfs/dbraw/zinc/13/83/22/181138322.db2.gz YHCIFSZIVXIEKQ-CABCVRRESA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042821003 181145099 /nfs/dbraw/zinc/14/50/99/181145099.db2.gz QNELZYBZCLEMCR-AWEZNQCLSA-N 1 0 230.311 2.217 10 30 BEEERO N#Cc1ccccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037404510 181147895 /nfs/dbraw/zinc/14/78/95/181147895.db2.gz ZGNOCOYFQJLSNG-GFCCVEGCSA-N 1 0 241.338 2.454 10 30 BEEERO COC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000234565458 363425093 /nfs/dbraw/zinc/42/50/93/363425093.db2.gz GWBGEKMFSOLOEL-QWRGUYRKSA-N 1 0 210.321 2.083 10 30 BEEERO CSC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000235092523 363437371 /nfs/dbraw/zinc/43/73/71/363437371.db2.gz WJWRMMWXAOMUNW-NXEZZACHSA-N 1 0 210.346 2.164 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402072218 355334811 /nfs/dbraw/zinc/33/48/11/355334811.db2.gz IITIKCLHMFZUHU-RDBSUJKOSA-N 1 0 236.359 2.475 10 30 BEEERO CC(=O)/C=C1/CC[N@H+](Cc2ccccc2)C1 ZINC000168397495 355771118 /nfs/dbraw/zinc/77/11/18/355771118.db2.gz WNPJMAZREFQXMK-ZROIWOOFSA-N 1 0 215.296 2.408 10 30 BEEERO C#CC[C@H]([NH3+])c1ccc(Br)o1 ZINC000168636917 356478372 /nfs/dbraw/zinc/47/83/72/356478372.db2.gz LGYRHHNVRVSDFZ-LURJTMIESA-N 1 0 214.062 2.065 10 30 BEEERO C#CC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000168637010 356478467 /nfs/dbraw/zinc/47/84/67/356478467.db2.gz LGYRHHNVRVSDFZ-ZCFIWIBFSA-N 1 0 214.062 2.065 10 30 BEEERO CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@@H]2C#N ZINC000675079988 538519362 /nfs/dbraw/zinc/51/93/62/538519362.db2.gz JMUVVYWWPILDGB-SNVBAGLBSA-N 1 0 222.332 2.226 10 30 BEEERO CC(C)(C#N)CCCC[NH+]1CC(O)(C2CC2)C1 ZINC000232530759 357664050 /nfs/dbraw/zinc/66/40/50/357664050.db2.gz SWAOIKUSOCQLIJ-UHFFFAOYSA-N 1 0 236.359 2.163 10 30 BEEERO C[C@@H]1OCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235338768 357866332 /nfs/dbraw/zinc/86/63/32/357866332.db2.gz HWZNTAYULQRUCO-NWDGAFQWSA-N 1 0 224.348 2.473 10 30 BEEERO N#Cc1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000051815069 358077162 /nfs/dbraw/zinc/07/71/62/358077162.db2.gz LSARDQHYWJIQDL-UHFFFAOYSA-N 1 0 230.311 2.074 10 30 BEEERO C=CC[C@@H](C[NH3+])Cc1c(OC)cccc1OC ZINC000584596079 358254043 /nfs/dbraw/zinc/25/40/43/358254043.db2.gz YOIFEFHNNIIGNP-LLVKDONJSA-N 1 0 235.327 2.397 10 30 BEEERO COCC(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000125354834 358538359 /nfs/dbraw/zinc/53/83/59/358538359.db2.gz ATBPUQOGMICCQQ-UHFFFAOYSA-N 1 0 217.312 2.053 10 30 BEEERO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000134973797 358813287 /nfs/dbraw/zinc/81/32/87/358813287.db2.gz CQDMHIDKYMMRLO-TZMCWYRMSA-N 1 0 238.375 2.189 10 30 BEEERO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000134973840 358813410 /nfs/dbraw/zinc/81/34/10/358813410.db2.gz CQDMHIDKYMMRLO-JSGCOSHPSA-N 1 0 238.375 2.189 10 30 BEEERO C=CC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134143599 358781625 /nfs/dbraw/zinc/78/16/25/358781625.db2.gz XVIHOWVAGVMDGX-FZMZJTMJSA-N 1 0 217.312 2.496 10 30 BEEERO OCCC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000052762654 358793565 /nfs/dbraw/zinc/79/35/65/358793565.db2.gz CXSGCTRDSOGKBD-INIZCTEOSA-N 1 0 243.350 2.275 10 30 BEEERO C#C[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000130206696 358952156 /nfs/dbraw/zinc/95/21/56/358952156.db2.gz RGQIXEOZHVGDLJ-SECBINFHSA-N 1 0 240.100 2.091 10 30 BEEERO C=C[C@H]([NH2+]C)c1coc(Br)c1 ZINC000306185436 359001813 /nfs/dbraw/zinc/00/18/13/359001813.db2.gz AFNZRDHKIAMKKT-ZETCQYMHSA-N 1 0 216.078 2.489 10 30 BEEERO C=C[C@@H]([NH2+]C)c1coc(Br)c1 ZINC000306185435 359001908 /nfs/dbraw/zinc/00/19/08/359001908.db2.gz AFNZRDHKIAMKKT-SSDOTTSWSA-N 1 0 216.078 2.489 10 30 BEEERO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CO1 ZINC000306302700 359578004 /nfs/dbraw/zinc/57/80/04/359578004.db2.gz HCSGWHIIFWWFDO-SFYZADRCSA-N 1 0 223.238 2.048 10 30 BEEERO C[C@H](C#N)[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000306462188 360072197 /nfs/dbraw/zinc/07/21/97/360072197.db2.gz HAOPGEAXCAKUHF-HRDYMLBCSA-N 1 0 202.248 2.312 10 30 BEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097796 360217763 /nfs/dbraw/zinc/21/77/63/360217763.db2.gz KIWUMJSOJMATSM-UONOGXRCSA-N 1 0 249.402 2.485 10 30 BEEERO C=CC1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000093359260 360235583 /nfs/dbraw/zinc/23/55/83/360235583.db2.gz VOBQDCSMICNICP-UHFFFAOYSA-N 1 0 249.358 2.135 10 30 BEEERO C=C([C@@H](F)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306499931 360261162 /nfs/dbraw/zinc/26/11/62/360261162.db2.gz LNRYEROAFBERMQ-HTQZYQBOSA-N 1 0 211.202 2.443 10 30 BEEERO C=C(Br)C[NH2+]C1(CC)CC1 ZINC000306553511 360426989 /nfs/dbraw/zinc/42/69/89/360426989.db2.gz GPOZROXWFVDIJI-UHFFFAOYSA-N 1 0 204.111 2.427 10 30 BEEERO C[C@@H](CS)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000306560242 360435005 /nfs/dbraw/zinc/43/50/05/360435005.db2.gz RLASMISZPSWDCF-ZJUUUORDSA-N 1 0 219.419 2.237 10 30 BEEERO C=CCCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000162125729 361336909 /nfs/dbraw/zinc/33/69/09/361336909.db2.gz FDCCZHUCNZRBJE-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO [NH3+]CC#Cc1ccccc1NC(=O)C1CCCC1 ZINC000037550869 181347737 /nfs/dbraw/zinc/34/77/37/181347737.db2.gz DESKRFUFKOFOOD-UHFFFAOYSA-N 1 0 242.322 2.126 10 30 BEEERO CCCCCCCCCCO[C@H](C[NH3+])CO ZINC000217104839 541386617 /nfs/dbraw/zinc/38/66/17/541386617.db2.gz BISMKDKUQQRIRP-CYBMUJFWSA-N 1 0 231.380 2.463 10 30 BEEERO C=CCN(Cc1ncccc1C(=O)OC)C1CC1 ZINC000382550209 367537390 /nfs/dbraw/zinc/53/73/90/367537390.db2.gz TUDHCYQSRVAMOK-UHFFFAOYSA-N 1 0 246.310 2.019 10 30 BEEERO C=CC(C)(C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000385070574 367782788 /nfs/dbraw/zinc/78/27/88/367782788.db2.gz WHYDXRSVAJOPFT-UHFFFAOYSA-N 1 0 237.347 2.039 10 30 BEEERO CSCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000069001130 370872006 /nfs/dbraw/zinc/87/20/06/370872006.db2.gz RFHINRRYPGGINU-GHMZBOCLSA-N 1 0 212.362 2.411 10 30 BEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(F)cc1C#N ZINC000600952454 369578249 /nfs/dbraw/zinc/57/82/49/369578249.db2.gz WXLZATQBJBHHBF-WCQYABFASA-N 1 0 233.290 2.250 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000600962127 369580736 /nfs/dbraw/zinc/58/07/36/369580736.db2.gz YZIPSJZUUSEORB-KOLCDFICSA-N 1 0 249.745 2.243 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250986888 369633460 /nfs/dbraw/zinc/63/34/60/369633460.db2.gz BZFKZFNHSUASSY-YNEHKIRRSA-N 1 0 222.332 2.227 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250986884 369634171 /nfs/dbraw/zinc/63/41/71/369634171.db2.gz BZFKZFNHSUASSY-XQQFMLRXSA-N 1 0 222.332 2.227 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CS1 ZINC000251716597 369908871 /nfs/dbraw/zinc/90/88/71/369908871.db2.gz BWBUGKDQRXPXNI-ZNSHCXBVSA-N 1 0 210.346 2.162 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CS1 ZINC000251716595 369909009 /nfs/dbraw/zinc/90/90/09/369909009.db2.gz BWBUGKDQRXPXNI-VPOLOUISSA-N 1 0 210.346 2.162 10 30 BEEERO N#Cc1cc(F)ccc1NCC1CC[NH2+]CC1 ZINC000111027313 370046189 /nfs/dbraw/zinc/04/61/89/370046189.db2.gz OIBQIZHJYFYOPV-UHFFFAOYSA-N 1 0 233.290 2.109 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251902703 369980740 /nfs/dbraw/zinc/98/07/40/369980740.db2.gz WNSIQDTVJRUVSS-KGLIPLIRSA-N 1 0 247.386 2.239 10 30 BEEERO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CO1 ZINC000002386021 370426813 /nfs/dbraw/zinc/42/68/13/370426813.db2.gz CTOXXLRUDZFYNZ-CYBMUJFWSA-N 1 0 205.301 2.296 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000378736487 371016917 /nfs/dbraw/zinc/01/69/17/371016917.db2.gz GREHVOAUHUEGLT-JHJVBQTASA-N 1 0 222.332 2.083 10 30 BEEERO N#Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070573754 371044320 /nfs/dbraw/zinc/04/43/20/371044320.db2.gz PBSAJAUTAQKBRJ-RYUDHWBXSA-N 1 0 243.310 2.014 10 30 BEEERO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000126710258 371545769 /nfs/dbraw/zinc/54/57/69/371545769.db2.gz LOIFFNMNMOEXLW-NWDGAFQWSA-N 1 0 224.348 2.209 10 30 BEEERO C[C@H](CS)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227267600 371818658 /nfs/dbraw/zinc/81/86/58/371818658.db2.gz CFVQGXYSKVSKAZ-VHSXEESVSA-N 1 0 217.378 2.052 10 30 BEEERO C=CCC[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000163377287 371985075 /nfs/dbraw/zinc/98/50/75/371985075.db2.gz DOVXTTBVKYSTJF-LLVKDONJSA-N 1 0 219.284 2.424 10 30 BEEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)cc1 ZINC000133599587 372078989 /nfs/dbraw/zinc/07/89/89/372078989.db2.gz KTBRDJAOPUVSCA-CQSZACIVSA-N 1 0 231.343 2.368 10 30 BEEERO C=C(Br)CN1[C@H](C)CCC[C@H]1C[NH3+] ZINC000069723314 373639889 /nfs/dbraw/zinc/63/98/89/373639889.db2.gz CPRCLAOYISLGRF-ZJUUUORDSA-N 1 0 247.180 2.097 10 30 BEEERO OCCC#Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000043679215 183042309 /nfs/dbraw/zinc/04/23/09/183042309.db2.gz ZWCLOJZUBYRPNA-UHFFFAOYSA-N 1 0 249.379 2.468 10 30 BEEERO OCC#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716618 183032122 /nfs/dbraw/zinc/03/21/22/183032122.db2.gz ZTBIDPKGSHATHA-JKSUJKDBSA-N 1 0 241.334 2.015 10 30 BEEERO CCN(CCC#N)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902429 169815474 /nfs/dbraw/zinc/81/54/74/169815474.db2.gz IBUCBYDPWBACCE-OCCSQVGLSA-N 1 0 231.343 2.310 10 30 BEEERO CCC[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049617736 169080427 /nfs/dbraw/zinc/08/04/27/169080427.db2.gz NCOVYWFOSBMTOJ-UHFFFAOYSA-N 1 0 235.302 2.011 10 30 BEEERO CCC[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049617739 169081501 /nfs/dbraw/zinc/08/15/01/169081501.db2.gz DNLOURISGRKSLC-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](C/C(N)=N/O)[C@H]1CCCC[C@@H]1CC ZINC000104381485 169089728 /nfs/dbraw/zinc/08/97/28/169089728.db2.gz JWHJTPFJJJWRBE-RYUDHWBXSA-N 1 0 241.379 2.414 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608865 169129304 /nfs/dbraw/zinc/12/93/04/169129304.db2.gz ULKKMWCBPWFAEM-UHFFFAOYSA-N 1 0 230.355 2.229 10 30 BEEERO CCC[N@H+](CC1CC1)C[C@]1(C=O)CCCOC1 ZINC000104323064 169138384 /nfs/dbraw/zinc/13/83/84/169138384.db2.gz BQNXIUYTRFRHLV-AWEZNQCLSA-N 1 0 239.359 2.104 10 30 BEEERO CCC[C@@H](C#N)N1CC[NH+](CC2CCCC2)CC1 ZINC000109457654 169342580 /nfs/dbraw/zinc/34/25/80/169342580.db2.gz BOEAIJUWIXRFOS-HNNXBMFYSA-N 1 0 249.402 2.486 10 30 BEEERO CCCOc1ccc(C[C@@H](C)[NH3+])c(OCC#N)c1 ZINC000037722222 169319123 /nfs/dbraw/zinc/31/91/23/169319123.db2.gz BRPHRVBNJXJPAE-LLVKDONJSA-N 1 0 248.326 2.267 10 30 BEEERO CCC[C@@](C)(C=O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000051178076 169445757 /nfs/dbraw/zinc/44/57/57/169445757.db2.gz IJWVXMUDCKPXHV-UONOGXRCSA-N 1 0 241.375 2.493 10 30 BEEERO O=C1CCCC2=C1C[C@H]1CCC[NH2+][C@@H]1C2 ZINC000091306029 384117398 /nfs/dbraw/zinc/11/73/98/384117398.db2.gz NMGHGESTNHOUEE-ZYHUDNBSSA-N 1 0 205.301 2.198 10 30 BEEERO C#CCCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261814328 533044053 /nfs/dbraw/zinc/04/40/53/533044053.db2.gz SYKVUPFAOMMWBJ-OKILXGFUSA-N 1 0 247.386 2.097 10 30 BEEERO C=C(C)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188143062 384362993 /nfs/dbraw/zinc/36/29/93/384362993.db2.gz GEHNXZSTRPOBRQ-STQMWFEESA-N 1 0 237.368 2.332 10 30 BEEERO C[C@H](CCC[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000310817911 384491411 /nfs/dbraw/zinc/49/14/11/384491411.db2.gz HSPZWHAULFXYLT-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000311030550 384665079 /nfs/dbraw/zinc/66/50/79/384665079.db2.gz DWHWXDGATAGIRP-SECBINFHSA-N 1 0 248.286 2.006 10 30 BEEERO CC#CCC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000155334268 384709925 /nfs/dbraw/zinc/70/99/25/384709925.db2.gz FPFUZBDXPPFTFL-UHFFFAOYSA-N 1 0 245.370 2.496 10 30 BEEERO O=C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000104832964 384844811 /nfs/dbraw/zinc/84/48/11/384844811.db2.gz FIYUKWDVNOJKHT-ZDUSSCGKSA-N 1 0 203.285 2.413 10 30 BEEERO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127835312 384911567 /nfs/dbraw/zinc/91/15/67/384911567.db2.gz CPJGTUAPVZQKSJ-RYUDHWBXSA-N 1 0 221.348 2.153 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000308852258 385216925 /nfs/dbraw/zinc/21/69/25/385216925.db2.gz DRNITKJJEAUMFP-BDAKNGLRSA-N 1 0 214.259 2.456 10 30 BEEERO C[C@H]1C[C@](C#N)(NCc2ccccc2)CC[N@@H+]1C ZINC000156443814 385279461 /nfs/dbraw/zinc/27/94/61/385279461.db2.gz MCNUUXNXPPCDSP-DZGCQCFKSA-N 1 0 243.354 2.153 10 30 BEEERO CC#CC[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000119287093 385622416 /nfs/dbraw/zinc/62/24/16/385622416.db2.gz KQDWCWNGUMSZOO-ZDUSSCGKSA-N 1 0 231.343 2.106 10 30 BEEERO CC(C)OC1CC([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000309589063 385718824 /nfs/dbraw/zinc/71/88/24/385718824.db2.gz UBNRFNGYHGRJLY-WTIISPKJSA-N 1 0 222.332 2.224 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCCO1 ZINC000185776258 385737023 /nfs/dbraw/zinc/73/70/23/385737023.db2.gz BEIIPJWHQVMNNT-RVMXOQNASA-N 1 0 222.332 2.226 10 30 BEEERO COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309681099 385786959 /nfs/dbraw/zinc/78/69/59/385786959.db2.gz ZLTQZVKGHPCKFR-RWMBFGLXSA-N 1 0 224.348 2.329 10 30 BEEERO C=C(Cl)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000124327603 386025706 /nfs/dbraw/zinc/02/57/06/386025706.db2.gz KHEFJKRKTPPHSL-VXGBXAGGSA-N 1 0 228.767 2.298 10 30 BEEERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1C#N ZINC000234946987 386118754 /nfs/dbraw/zinc/11/87/54/386118754.db2.gz MJVZREXXNIRYRQ-JOYOIKCWSA-N 1 0 216.284 2.065 10 30 BEEERO C=CCCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000125398235 386251081 /nfs/dbraw/zinc/25/10/81/386251081.db2.gz XNFKAJGIIXMXFZ-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398796616 386994203 /nfs/dbraw/zinc/99/42/03/386994203.db2.gz PRRNEOAMFGYLFY-YNEHKIRRSA-N 1 0 236.359 2.019 10 30 BEEERO C#C[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000575467596 387076800 /nfs/dbraw/zinc/07/68/00/387076800.db2.gz QLBJRBRBHNVVNS-VIFPVBQESA-N 1 0 242.091 2.091 10 30 BEEERO C[NH2+]CCC#Cc1occc1Br ZINC000575523394 387454768 /nfs/dbraw/zinc/45/47/68/387454768.db2.gz QWATXDDADOIFLT-UHFFFAOYSA-N 1 0 228.089 2.003 10 30 BEEERO C=CC[C@@H](Cc1ccccc1)[NH2+]CCC(=O)OC ZINC000584599503 387501437 /nfs/dbraw/zinc/50/14/37/387501437.db2.gz NIMWKXSTXFBZCR-AWEZNQCLSA-N 1 0 247.338 2.327 10 30 BEEERO C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCO1 ZINC000035247554 387520421 /nfs/dbraw/zinc/52/04/21/387520421.db2.gz FUKAJWYALPTNDW-FZMZJTMJSA-N 1 0 230.311 2.215 10 30 BEEERO Cc1cc(C#N)ccc1CN1[C@H](C)COC[C@@H]1C ZINC000186239011 387533870 /nfs/dbraw/zinc/53/38/70/387533870.db2.gz HLMPTPHADMZTBW-BETUJISGSA-N 1 0 244.338 2.476 10 30 BEEERO C=C(Br)C[NH2+][C@]12C[C@H]1CCC2 ZINC000575532713 387550984 /nfs/dbraw/zinc/55/09/84/387550984.db2.gz XOCNKEALIXAOKG-RKDXNWHRSA-N 1 0 216.122 2.427 10 30 BEEERO C=C(Br)C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000575532712 387551195 /nfs/dbraw/zinc/55/11/95/387551195.db2.gz XOCNKEALIXAOKG-IUCAKERBSA-N 1 0 216.122 2.427 10 30 BEEERO C=C(Br)CN1CCCCC[C@@H]([NH3+])C1 ZINC000575545940 387629793 /nfs/dbraw/zinc/62/97/93/387629793.db2.gz LBYWALYIZUGBAS-SNVBAGLBSA-N 1 0 247.180 2.098 10 30 BEEERO C=CC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501486 387915838 /nfs/dbraw/zinc/91/58/38/387915838.db2.gz WATMNGQYYKJNPW-UHFFFAOYSA-N 1 0 219.332 2.268 10 30 BEEERO CC(C)(CCC#N)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245746968 387981293 /nfs/dbraw/zinc/98/12/93/387981293.db2.gz MZGKDSUKTDOHDC-ZDUSSCGKSA-N 1 0 235.375 2.096 10 30 BEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC#N ZINC000246195949 388019211 /nfs/dbraw/zinc/01/92/11/388019211.db2.gz AAMDXYZSPMTLDE-KGLIPLIRSA-N 1 0 235.375 2.239 10 30 BEEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)cc1Cl ZINC000596026893 388400522 /nfs/dbraw/zinc/40/05/22/388400522.db2.gz OEEVOGYSOICBAM-UHFFFAOYSA-N 1 0 247.729 2.376 10 30 BEEERO C[C@H]1C[N@H+](CCCSCC#N)CCS1 ZINC000080631707 388561029 /nfs/dbraw/zinc/56/10/29/388561029.db2.gz FELQBKPKBCVBTO-JTQLQIEISA-N 1 0 230.402 2.071 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1cc(C)nc(C#N)c1 ZINC000308238326 388658501 /nfs/dbraw/zinc/65/85/01/388658501.db2.gz IHTPOMALRWHWCB-LLVKDONJSA-N 1 0 232.331 2.191 10 30 BEEERO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308235677 388658516 /nfs/dbraw/zinc/65/85/16/388658516.db2.gz ATODNXWIXJYOAI-NEPJUHHUSA-N 1 0 244.342 2.062 10 30 BEEERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(C#N)c1 ZINC000375604126 388719755 /nfs/dbraw/zinc/71/97/55/388719755.db2.gz DSDOWXZIXQWBMP-FBUXBERBSA-N 1 0 242.322 2.101 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023445 533512229 /nfs/dbraw/zinc/51/22/29/533512229.db2.gz ZDGWHWVCPMEYDU-CHWSQXEVSA-N 1 0 209.333 2.190 10 30 BEEERO C[C@@H]1CCCN(c2cccc(F)c2C#N)[C@@H]1C[NH3+] ZINC000070178603 132230455 /nfs/dbraw/zinc/23/04/55/132230455.db2.gz WRFYBUANTXDEED-QMTHXVAHSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH+](C)CC1CCN(c2ccccc2C#N)CC1 ZINC000042252774 132350932 /nfs/dbraw/zinc/35/09/32/132350932.db2.gz IRIHTZVLHIQMCJ-UHFFFAOYSA-N 1 0 243.354 2.336 10 30 BEEERO CC(C)(C=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000051175690 132359855 /nfs/dbraw/zinc/35/98/55/132359855.db2.gz WKVYZPKFNOMBGK-UHFFFAOYSA-N 1 0 246.354 2.034 10 30 BEEERO C[NH2+]C[C@@H]1CCCN(c2cc(C)ccc2C#N)C1 ZINC000051581223 132361488 /nfs/dbraw/zinc/36/14/88/132361488.db2.gz QKDQYRGMOHZAEO-ZDUSSCGKSA-N 1 0 243.354 2.303 10 30 BEEERO C[C@@H]1CCN(c2cccc(F)c2C#N)[C@@H](C[NH3+])C1 ZINC000235367668 132393178 /nfs/dbraw/zinc/39/31/78/132393178.db2.gz UVEVGFGIGIYVIL-GHMZBOCLSA-N 1 0 247.317 2.261 10 30 BEEERO C[C@H]1CCN(c2ccc(F)cc2C#N)[C@@H](C[NH3+])C1 ZINC000235686976 132407495 /nfs/dbraw/zinc/40/74/95/132407495.db2.gz ISSLASLFGPXLPV-GXFFZTMASA-N 1 0 247.317 2.261 10 30 BEEERO C[C@@H]1CSCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336259315 134141510 /nfs/dbraw/zinc/14/15/10/134141510.db2.gz UWXCGOVVKJKASL-NSHDSACASA-N 1 0 224.373 2.365 10 30 BEEERO Cc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000104174088 134159425 /nfs/dbraw/zinc/15/94/25/134159425.db2.gz PBSBDESKUPGKAH-ONGXEEELSA-N 1 0 203.289 2.130 10 30 BEEERO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000117877213 134222129 /nfs/dbraw/zinc/22/21/29/134222129.db2.gz PARFZZAZNUDPCV-CYBMUJFWSA-N 1 0 238.375 2.333 10 30 BEEERO CC#CC[N@@H+](C)CCc1ccccc1OC ZINC000119048554 134224636 /nfs/dbraw/zinc/22/46/36/134224636.db2.gz ORQMSMAEOHATBG-UHFFFAOYSA-N 1 0 217.312 2.193 10 30 BEEERO CN(Cc1cccc(C#N)c1F)C[C@H]1CCCO1 ZINC000219517252 134285350 /nfs/dbraw/zinc/28/53/50/134285350.db2.gz MNDDHDVJMIDBFB-CYBMUJFWSA-N 1 0 248.301 2.308 10 30 BEEERO CCC(O)(CC)C[NH+]1CCC(C)(C#N)CC1 ZINC000227350837 134378857 /nfs/dbraw/zinc/37/88/57/134378857.db2.gz WXPRZUFSSJEADD-UHFFFAOYSA-N 1 0 224.348 2.163 10 30 BEEERO C[C@@H]1OCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000134545854 134714153 /nfs/dbraw/zinc/71/41/53/134714153.db2.gz GDVMYMYHXNNOAB-WDEREUQCSA-N 1 0 210.321 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000061891897 134804467 /nfs/dbraw/zinc/80/44/67/134804467.db2.gz OWAOGFLJDCKCSG-ZFWWWQNUSA-N 1 0 226.323 2.436 10 30 BEEERO CC(C)[C@@H]([NH3+])CNc1ccc(F)cc1C#N ZINC000070011006 134906334 /nfs/dbraw/zinc/90/63/34/134906334.db2.gz PLEJADUCWWUALO-NSHDSACASA-N 1 0 221.279 2.093 10 30 BEEERO N#CC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000337290982 135010174 /nfs/dbraw/zinc/01/01/74/135010174.db2.gz OEPXHJYQNFKNJX-BFHYXJOUSA-N 1 0 248.370 2.306 10 30 BEEERO C[C@H](C#N)C[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251133669 135064273 /nfs/dbraw/zinc/06/42/73/135064273.db2.gz UXMIXZVAFOBJPP-DGCLKSJQSA-N 1 0 214.312 2.418 10 30 BEEERO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000252493177 135091169 /nfs/dbraw/zinc/09/11/69/135091169.db2.gz JCYFIRXICQNHPI-CHWSQXEVSA-N 1 0 237.391 2.198 10 30 BEEERO C=CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000252809374 135111676 /nfs/dbraw/zinc/11/16/76/135111676.db2.gz LMSOBJJEWOQSTR-AVGNSLFASA-N 1 0 211.349 2.482 10 30 BEEERO C=CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252894964 135116147 /nfs/dbraw/zinc/11/61/47/135116147.db2.gz XNFKAJGIIXMXFZ-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO CCC[C@H]1C[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261534157 135166723 /nfs/dbraw/zinc/16/67/23/135166723.db2.gz NSVOVISAANWEIN-CMPLNLGQSA-N 1 0 223.364 2.412 10 30 BEEERO CC1(C)CN(Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000261553752 135193170 /nfs/dbraw/zinc/19/31/70/135193170.db2.gz ANPHQLGEXANYAT-CQSZACIVSA-N 1 0 243.354 2.117 10 30 BEEERO C=CCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261717142 135247280 /nfs/dbraw/zinc/24/72/80/135247280.db2.gz KLUWZKRULMVGMQ-BETUJISGSA-N 1 0 235.375 2.260 10 30 BEEERO C=CCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261717146 135247677 /nfs/dbraw/zinc/24/76/77/135247677.db2.gz KLUWZKRULMVGMQ-STQMWFEESA-N 1 0 235.375 2.260 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262398536 135298422 /nfs/dbraw/zinc/29/84/22/135298422.db2.gz GZTQBFJEFFDQFL-QJPTWQEYSA-N 1 0 223.364 2.222 10 30 BEEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCCCCC1 ZINC000262469383 135300864 /nfs/dbraw/zinc/30/08/64/135300864.db2.gz RZMVJVIFLGBQJG-VXGBXAGGSA-N 1 0 223.364 2.366 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CC[C@@H]1C ZINC000262472884 135301103 /nfs/dbraw/zinc/30/11/03/135301103.db2.gz BMZJPIGJWLBAQE-CMPLNLGQSA-N 1 0 247.342 2.358 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1C[C@H](C)C[C@H](C)C1 ZINC000262517995 135304111 /nfs/dbraw/zinc/30/41/11/135304111.db2.gz CZVUOGXFUIYQQH-GRYCIOLGSA-N 1 0 237.391 2.338 10 30 BEEERO C[NH+]=C(N[C@H]1CC1(C)C)N1CCC(C)CC1 ZINC000262538538 135304922 /nfs/dbraw/zinc/30/49/22/135304922.db2.gz KMNDJBRLXPIONQ-NSHDSACASA-N 1 0 223.364 2.092 10 30 BEEERO CN(C(=[NH2+])NCC1(C(F)(F)F)CCC1)C1CC1 ZINC000262630259 135309366 /nfs/dbraw/zinc/30/93/66/135309366.db2.gz FNOWHDIJFQZZOU-UHFFFAOYSA-N 1 0 249.280 2.128 10 30 BEEERO CC(C)CNC(=[NH2+])NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263065526 135330403 /nfs/dbraw/zinc/33/04/03/135330403.db2.gz GCZHBOXUOCPJQS-FRRDWIJNSA-N 1 0 235.375 2.149 10 30 BEEERO [NH2+]=C(NC[C@H]1CC12CC2)NC1CCCCCC1 ZINC000263215475 135340407 /nfs/dbraw/zinc/34/04/07/135340407.db2.gz ZUQIHQSDODUDHX-LLVKDONJSA-N 1 0 235.375 2.414 10 30 BEEERO CC[C@@H](C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263287175 135344490 /nfs/dbraw/zinc/34/44/90/135344490.db2.gz VCDSTWZCOMKJOM-GHMZBOCLSA-N 1 0 223.364 2.412 10 30 BEEERO C[C@H](CCC#N)[NH2+][C@H](CO)c1ccccc1 ZINC000278503678 135368478 /nfs/dbraw/zinc/36/84/78/135368478.db2.gz AOUUVHXEIJRAIQ-DGCLKSJQSA-N 1 0 218.300 2.002 10 30 BEEERO [NH2+]=C(NCCC1=CCCC1)NCC1CCC1 ZINC000133907674 135501534 /nfs/dbraw/zinc/50/15/34/135501534.db2.gz ZNHCTMSINJJSDC-UHFFFAOYSA-N 1 0 221.348 2.191 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061892633 398107674 /nfs/dbraw/zinc/10/76/74/398107674.db2.gz HCVQZWHJCKZIKI-AXFHLTTASA-N 1 0 210.346 2.164 10 30 BEEERO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000070625483 410509140 /nfs/dbraw/zinc/50/91/40/410509140.db2.gz QWSLRFXAJDPURM-IJLUTSLNSA-N 1 0 210.321 2.083 10 30 BEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCCCCC ZINC000049202840 166182597 /nfs/dbraw/zinc/18/25/97/166182597.db2.gz BGCOCXFPUNBVOU-QWHCGFSZSA-N 1 0 238.375 2.073 10 30 BEEERO C#CC[NH2+]CCOc1cccc2c1OC(C)(C)C2 ZINC000053565282 166187530 /nfs/dbraw/zinc/18/75/30/166187530.db2.gz UFLILKGQMWZEPO-UHFFFAOYSA-N 1 0 245.322 2.002 10 30 BEEERO C#CC[NH2+]C[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962291 166188906 /nfs/dbraw/zinc/18/89/06/166188906.db2.gz WESWFLNZHNRPSY-ZDUSSCGKSA-N 1 0 239.322 2.334 10 30 BEEERO C#CC[NH2+][C@H]1CCSc2ccccc21 ZINC000019875559 166192979 /nfs/dbraw/zinc/19/29/79/166192979.db2.gz PWHJDPJKZPZMNN-NSHDSACASA-N 1 0 203.310 2.446 10 30 BEEERO C#CCOc1ccc(C[NH2+]CC)cc1OCC ZINC000037486987 166198793 /nfs/dbraw/zinc/19/87/93/166198793.db2.gz LZRJIBHQBRCFQA-UHFFFAOYSA-N 1 0 233.311 2.207 10 30 BEEERO C#[N+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000035572258 166224956 /nfs/dbraw/zinc/22/49/56/166224956.db2.gz NEFNPXISLIAINN-ZDUSSCGKSA-N 1 0 229.303 2.183 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]C[C@H]1CCCCO1 ZINC000051814358 166225587 /nfs/dbraw/zinc/22/55/87/166225587.db2.gz HRZPSFDNSRQBFL-OAHLLOKOSA-N 1 0 229.323 2.197 10 30 BEEERO C=CCN(C(=O)CCC1CC[NH2+]CC1)C(C)C ZINC000050947311 166308473 /nfs/dbraw/zinc/30/84/73/166308473.db2.gz HFKHONADGIGTFX-UHFFFAOYSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCN(C(=O)[C@@H](C[NH3+])c1ccccc1)C(C)C ZINC000061612128 166310609 /nfs/dbraw/zinc/31/06/09/166310609.db2.gz SIMKRDUWMXOCPH-AWEZNQCLSA-N 1 0 246.354 2.152 10 30 BEEERO C=CCN(C(=O)c1ccc(C[NH3+])cc1)C(C)C ZINC000037817721 166312379 /nfs/dbraw/zinc/31/23/79/166312379.db2.gz JGUJBMLDHZPJRV-UHFFFAOYSA-N 1 0 232.327 2.182 10 30 BEEERO C=CCN(CC=C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019504411 166331857 /nfs/dbraw/zinc/33/18/57/166331857.db2.gz VMQURZHANJZYRQ-MELADBBJSA-N 1 0 248.370 2.108 10 30 BEEERO C=CCNC(=O)[C@H](CC[NH3+])c1cc(C)ccc1C ZINC000076631548 166390531 /nfs/dbraw/zinc/39/05/31/166390531.db2.gz OKRZITMNCHVFGG-CYBMUJFWSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]CC[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049822163 166399351 /nfs/dbraw/zinc/39/93/51/166399351.db2.gz HIVJUBKURBMPAU-OAHLLOKOSA-N 1 0 231.339 2.374 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1cc(F)ccc1F ZINC000049820738 166399836 /nfs/dbraw/zinc/39/98/36/166399836.db2.gz VKFZINKQXTZSRB-LBPRGKRZSA-N 1 0 227.254 2.164 10 30 BEEERO CC(C)[NH2+]CCOCc1ccc(C#N)cc1F ZINC000051862955 167109824 /nfs/dbraw/zinc/10/98/24/167109824.db2.gz ZGRGLMNWKBLYFS-UHFFFAOYSA-N 1 0 236.290 2.212 10 30 BEEERO CC(C)N[C@H](C#N)CCN1Cc2ccccc2C1 ZINC000062438815 167136173 /nfs/dbraw/zinc/13/61/73/167136173.db2.gz UOEIJLHNTMQICD-HNNXBMFYSA-N 1 0 243.354 2.282 10 30 BEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)C[C@H]1C[C@@H]1C ZINC000104423751 167142541 /nfs/dbraw/zinc/14/25/41/167142541.db2.gz FZKSMNZXLUDUET-MJBXVCDLSA-N 1 0 237.391 2.245 10 30 BEEERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000049195440 167395635 /nfs/dbraw/zinc/39/56/35/167395635.db2.gz XTKUTOPJAJUQDP-OAHLLOKOSA-N 1 0 245.370 2.234 10 30 BEEERO CC1CCC(CO)([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054829922 168156357 /nfs/dbraw/zinc/15/63/57/168156357.db2.gz GAIANRRMLGEFCQ-YIFLHPOLSA-N 1 0 236.359 2.209 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CNc1ccc(C#N)cc1N ZINC000035674412 169981549 /nfs/dbraw/zinc/98/15/49/169981549.db2.gz MBJAQSSRYQREKL-LBPRGKRZSA-N 1 0 244.342 2.037 10 30 BEEERO CC[N@@H+]1CC[C@@H](CNc2nc(C)ccc2C#N)C1 ZINC000043395508 170010403 /nfs/dbraw/zinc/01/04/03/170010403.db2.gz RRUGAMFQXBIJDH-LBPRGKRZSA-N 1 0 244.342 2.015 10 30 BEEERO CC[N@@H+]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000328221979 170014802 /nfs/dbraw/zinc/01/48/02/170014802.db2.gz YTVNHYFPKVBTDG-SNVBAGLBSA-N 1 0 233.290 2.203 10 30 BEEERO CC[NH2+]CCCNc1cccc(F)c1C#N ZINC000038043479 170112593 /nfs/dbraw/zinc/11/25/93/170112593.db2.gz PFVPHEVGLPBSMP-UHFFFAOYSA-N 1 0 221.279 2.109 10 30 BEEERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054590482 170120796 /nfs/dbraw/zinc/12/07/96/170120796.db2.gz ZHHXQAUBORUBGP-STQMWFEESA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095091511 170153143 /nfs/dbraw/zinc/15/31/43/170153143.db2.gz PCLWSIIGZPVSTC-LSDHHAIUSA-N 1 0 244.338 2.115 10 30 BEEERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095091477 170153269 /nfs/dbraw/zinc/15/32/69/170153269.db2.gz XFVXPXRXMFLZJI-HUUCEWRRSA-N 1 0 244.338 2.115 10 30 BEEERO CCN[C@H](C#N)CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000062436648 170156184 /nfs/dbraw/zinc/15/61/84/170156184.db2.gz HPTVTALEEZBZKR-MELADBBJSA-N 1 0 237.391 2.389 10 30 BEEERO CC[C@@H]1CCC[N@H+](CC2(C=O)CCOCC2)C1 ZINC000052180032 170974046 /nfs/dbraw/zinc/97/40/46/170974046.db2.gz NVAVEQCGVSCEFL-CYBMUJFWSA-N 1 0 239.359 2.104 10 30 BEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000104134759 171088676 /nfs/dbraw/zinc/08/86/76/171088676.db2.gz MAMUYBMCSWFRKC-OAHLLOKOSA-N 1 0 243.354 2.084 10 30 BEEERO CC[C@H](C)OCCOc1cccc(C#CC[NH3+])c1 ZINC000049611108 171355201 /nfs/dbraw/zinc/35/52/01/171355201.db2.gz QQGYFJOYVFZQPP-ZDUSSCGKSA-N 1 0 247.338 2.191 10 30 BEEERO CC[C@H]1CCC[N@H+](CC2(C=O)CCOCC2)C1 ZINC000052180033 171615167 /nfs/dbraw/zinc/61/51/67/171615167.db2.gz NVAVEQCGVSCEFL-ZDUSSCGKSA-N 1 0 239.359 2.104 10 30 BEEERO C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000662953909 412353705 /nfs/dbraw/zinc/35/37/05/412353705.db2.gz RAJHCFUSWMLABW-LBPRGKRZSA-N 1 0 238.375 2.237 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000662954362 412354013 /nfs/dbraw/zinc/35/40/13/412354013.db2.gz VABIZIXXPJGZSV-NEPJUHHUSA-N 1 0 238.375 2.222 10 30 BEEERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857753 173126437 /nfs/dbraw/zinc/12/64/37/173126437.db2.gz ZNGPYCVEDMVEAX-LLVKDONJSA-N 1 0 235.718 2.328 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1ccc(C#N)cc1Cl ZINC000062791639 173365036 /nfs/dbraw/zinc/36/50/36/173365036.db2.gz TYPCSJXBEIGLND-MRVPVSSYSA-N 1 0 224.691 2.198 10 30 BEEERO COCC[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042459242 174281996 /nfs/dbraw/zinc/28/19/96/174281996.db2.gz GONSNBWZMZATEC-VXGBXAGGSA-N 1 0 210.321 2.037 10 30 BEEERO COc1cccc(C[C@H](C)[NH3+])c1OCCCC#N ZINC000037727696 175271899 /nfs/dbraw/zinc/27/18/99/175271899.db2.gz JSTMAESUGFMIOK-NSHDSACASA-N 1 0 248.326 2.267 10 30 BEEERO C[C@@H](S)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC000083730150 176007182 /nfs/dbraw/zinc/00/71/82/176007182.db2.gz VFEKTNILLSXDIX-HQJQHLMTSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1[NH+](C)C ZINC000251769709 176319158 /nfs/dbraw/zinc/31/91/58/176319158.db2.gz MHWRZPDYEPGRIF-QMTHXVAHSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000104415276 176392400 /nfs/dbraw/zinc/39/24/00/176392400.db2.gz KCJMNVVCAFVGJN-DGCLKSJQSA-N 1 0 249.379 2.180 10 30 BEEERO C[C@H](CC[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000336684093 176628234 /nfs/dbraw/zinc/62/82/34/176628234.db2.gz JYTIXCADEXOZCU-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO C[C@H]1/C(=N\O)CC[N@H+]1Cc1ccccc1 ZINC000100153960 177056228 /nfs/dbraw/zinc/05/62/28/177056228.db2.gz QYXRREXPAUULFK-AGKQBQDBSA-N 1 0 204.273 2.111 10 30 in-vitro BEEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615721 177076310 /nfs/dbraw/zinc/07/63/10/177076310.db2.gz AKITZBUVWMQLCN-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@H]1C[N@H+](CCC(C)(C)C#N)CCS1 ZINC000119632533 177246942 /nfs/dbraw/zinc/24/69/42/177246942.db2.gz WOCMFNMIOIDGQT-JTQLQIEISA-N 1 0 212.362 2.364 10 30 BEEERO C[C@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000120916346 177300356 /nfs/dbraw/zinc/30/03/56/177300356.db2.gz QURWOTFCZRSVLU-QWRGUYRKSA-N 1 0 248.301 2.307 10 30 BEEERO C=C(CC)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398833429 262771350 /nfs/dbraw/zinc/77/13/50/262771350.db2.gz IENFLZUKMFTUES-YNEHKIRRSA-N 1 0 209.333 2.045 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595482473 487866477 /nfs/dbraw/zinc/86/64/77/487866477.db2.gz OMDJDPXJAKAVLH-IEECTRCBSA-N 1 0 204.317 2.314 10 30 BEEERO C=C(C)CN(CC)C(=O)[C@H](CCC)[NH+](C)C ZINC000161522887 323540824 /nfs/dbraw/zinc/54/08/24/323540824.db2.gz HQLMVZJWPDDULZ-LBPRGKRZSA-N 1 0 226.364 2.141 10 30 BEEERO Cc1nnc(C[NH2+]CC(C)(C)CCC#N)s1 ZINC000134664390 325370833 /nfs/dbraw/zinc/37/08/33/325370833.db2.gz JEPLTTLVBZPBHT-UHFFFAOYSA-N 1 0 238.360 2.266 10 30 BEEERO COC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000381450112 487508300 /nfs/dbraw/zinc/50/83/00/487508300.db2.gz HDHAORWXIQXGGT-NSHDSACASA-N 1 0 237.730 2.316 10 30 BEEERO C=CCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190744724 534649157 /nfs/dbraw/zinc/64/91/57/534649157.db2.gz DKCOELBVVTYZCP-GFCCVEGCSA-N 1 0 236.359 2.086 10 30 BEEERO C=CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000175657750 534655650 /nfs/dbraw/zinc/65/56/50/534655650.db2.gz VALHMIWVDAQSOB-QWHCGFSZSA-N 1 0 236.359 2.038 10 30 BEEERO C=CCCC[N@@H+](C)Cc1cn2cccnc2n1 ZINC000121061490 534709339 /nfs/dbraw/zinc/70/93/39/534709339.db2.gz XSJXPYWCHNMMBU-UHFFFAOYSA-N 1 0 230.315 2.127 10 30 BEEERO C=CCCC[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000121089380 534709402 /nfs/dbraw/zinc/70/94/02/534709402.db2.gz WLWTVBYPTHMKGW-UHFFFAOYSA-N 1 0 237.299 2.464 10 30 BEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000121064647 534712604 /nfs/dbraw/zinc/71/26/04/534712604.db2.gz NJSBWRBNAAQLTF-LBPRGKRZSA-N 1 0 226.364 2.045 10 30 BEEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H](C)C(C)C ZINC000262454625 535260028 /nfs/dbraw/zinc/26/00/28/535260028.db2.gz WOCNESNKLOFCSP-NSHDSACASA-N 1 0 225.380 2.386 10 30 BEEERO CC[NH+]=C(NCC1CC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261681432 535261135 /nfs/dbraw/zinc/26/11/35/535261135.db2.gz HORSKVBHUNUSII-KBPBESRZSA-N 1 0 249.402 2.484 10 30 BEEERO CC[NH+]=C(NCC1CCC1)NCC1(C)CC1 ZINC000261711761 535261141 /nfs/dbraw/zinc/26/11/41/535261141.db2.gz HIFOHDKXLIHVFV-UHFFFAOYSA-N 1 0 223.364 2.142 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@](C)(CC)C1 ZINC000261699547 535265374 /nfs/dbraw/zinc/26/53/74/535265374.db2.gz FZOCIUGYJUFNIF-SCRDCRAPSA-N 1 0 237.391 2.482 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@]1(CC)C(C)C ZINC000263196006 535391374 /nfs/dbraw/zinc/39/13/74/535391374.db2.gz WNNGPHBFKYACRO-WCQYABFASA-N 1 0 225.380 2.468 10 30 BEEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])N(C)C1CC1 ZINC000263187271 535884918 /nfs/dbraw/zinc/88/49/18/535884918.db2.gz VAWCVZJBBVAANM-WCQYABFASA-N 1 0 223.364 2.220 10 30 BEEERO Cc1ccoc1CSC[C@](C)(N)C#N ZINC000757164666 582545926 /nfs/dbraw/zinc/54/59/26/582545926.db2.gz HXQJUGGTYBQCEB-SNVBAGLBSA-N 1 0 210.302 2.062 10 30 BEEERO N#Cc1ccccc1C1(C[NH3+])CC(F)(F)C1 ZINC000757188507 582556001 /nfs/dbraw/zinc/55/60/01/582556001.db2.gz CTLLGGLBCPYRSM-UHFFFAOYSA-N 1 0 222.238 2.184 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)C ZINC000121541775 588110339 /nfs/dbraw/zinc/11/03/39/588110339.db2.gz CGOYANSHJQGGIU-LBPRGKRZSA-N 1 0 239.359 2.309 10 30 BEEERO N#Cc1ccc(OCCC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000117689909 589116799 /nfs/dbraw/zinc/11/67/99/589116799.db2.gz RRNKSYNMBGDDJL-DZGCQCFKSA-N 1 0 242.322 2.421 10 30 BEEERO C=CCCC[N@@H+](CC)CC(=O)NC(C)(C)C ZINC000117870724 589136618 /nfs/dbraw/zinc/13/66/18/589136618.db2.gz JNJYEYNYRSLADO-UHFFFAOYSA-N 1 0 226.364 2.189 10 30 BEEERO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000203013816 589208774 /nfs/dbraw/zinc/20/87/74/589208774.db2.gz LIADIOCANWDKCV-RYUDHWBXSA-N 1 0 231.343 2.245 10 30 BEEERO CC[C@H](C)C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119419271 589283030 /nfs/dbraw/zinc/28/30/30/589283030.db2.gz YJOYGVIBLJVQIA-QWHCGFSZSA-N 1 0 239.359 2.309 10 30 BEEERO C=CCN1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000134806356 591950878 /nfs/dbraw/zinc/95/08/78/591950878.db2.gz VZVFVVZZTRXTOD-ZDUSSCGKSA-N 1 0 240.416 2.122 10 30 BEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000300585886 592515814 /nfs/dbraw/zinc/51/58/14/592515814.db2.gz OKTBBCZZAWZLJV-ILXRZTDVSA-N 1 0 244.338 2.370 10 30 BEEERO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000104162286 592602398 /nfs/dbraw/zinc/60/23/98/592602398.db2.gz IRZHNFIVTZENFA-QWHCGFSZSA-N 1 0 231.343 2.247 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000104162337 592602902 /nfs/dbraw/zinc/60/29/02/592602902.db2.gz CBRNQJORSBHORO-OLZOCXBDSA-N 1 0 229.327 2.023 10 30 BEEERO CCCCCCCNC(=O)[C@H]([NH3+])CCC ZINC000106198085 592703649 /nfs/dbraw/zinc/70/36/49/592703649.db2.gz STNOMMVGBLGYOT-LLVKDONJSA-N 1 0 214.353 2.200 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000054825069 634561322 /nfs/dbraw/zinc/56/13/22/634561322.db2.gz OKPNWVXSOHLDQZ-RBSFLKMASA-N 1 0 244.338 2.392 10 30 BEEERO C#CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000069768071 631279050 /nfs/dbraw/zinc/27/90/50/631279050.db2.gz FZGHOKABDTWTSW-UHFFFAOYSA-N 1 0 231.324 2.251 10 30 BEEERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000308341529 631295566 /nfs/dbraw/zinc/29/55/66/631295566.db2.gz BZICMZYFEQCYPD-MROQNXINSA-N 1 0 234.343 2.226 10 30 BEEERO COCCCC[NH2+]CC#Cc1ccccc1 ZINC000051814378 631937714 /nfs/dbraw/zinc/93/77/14/631937714.db2.gz VJPCAGAYYNSXOY-UHFFFAOYSA-N 1 0 217.312 2.054 10 30 BEEERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1O ZINC000158763062 632481300 /nfs/dbraw/zinc/48/13/00/632481300.db2.gz JBAYUSUQCVEVKZ-WCQYABFASA-N 1 0 230.311 2.483 10 30 BEEERO C#CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000309458689 633090357 /nfs/dbraw/zinc/09/03/57/633090357.db2.gz NIELMGWPSJOFRJ-UHFFFAOYSA-N 1 0 220.291 2.005 10 30 BEEERO C#CCCCC[NH2+]Cc1csc(COC)n1 ZINC000165937611 636078586 /nfs/dbraw/zinc/07/85/86/636078586.db2.gz SOGKDAAKNISBJW-UHFFFAOYSA-N 1 0 238.356 2.183 10 30 BEEERO C#CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000309580818 633959765 /nfs/dbraw/zinc/95/97/65/633959765.db2.gz SCETWZKZMAOWIL-UHFFFAOYSA-N 1 0 213.280 2.075 10 30 BEEERO C=CCCOCC[NH2+]CCc1ccccc1 ZINC000232017942 636059339 /nfs/dbraw/zinc/05/93/39/636059339.db2.gz VYSYQLBGYNQDQF-UHFFFAOYSA-N 1 0 219.328 2.411 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000054825066 640410502 /nfs/dbraw/zinc/41/05/02/640410502.db2.gz JGGFDLRRNFQCFV-MCIONIFRSA-N 1 0 230.311 2.002 10 30 BEEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccnc(C#N)c1 ZINC000061812051 640998255 /nfs/dbraw/zinc/99/82/55/640998255.db2.gz DCJAHOBOUJZTPP-CQSZACIVSA-N 1 0 246.358 2.341 10 30 BEEERO CCCCCCC[C@](C)(C[NH3+])OCCO ZINC000232953236 642637666 /nfs/dbraw/zinc/63/76/66/642637666.db2.gz ISDVOSBAEQNTHA-GFCCVEGCSA-N 1 0 217.353 2.073 10 30 BEEERO C#CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000069768192 642904663 /nfs/dbraw/zinc/90/46/63/642904663.db2.gz KWVLBAFLWUBHCH-UHFFFAOYSA-N 1 0 203.285 2.117 10 30 BEEERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000071409336 643143541 /nfs/dbraw/zinc/14/35/41/643143541.db2.gz QLVRCCOAUHGBFP-AAEUAGOBSA-N 1 0 230.311 2.483 10 30 BEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC[C@H](C)C1 ZINC000072877446 643319446 /nfs/dbraw/zinc/31/94/46/643319446.db2.gz HXUNCTFGDBTJQB-SDDRHHMPSA-N 1 0 223.364 2.092 10 30 BEEERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000050373707 643691587 /nfs/dbraw/zinc/69/15/87/643691587.db2.gz FHHGOMHEOLBSOC-KGLIPLIRSA-N 1 0 248.301 2.354 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000087029127 644493895 /nfs/dbraw/zinc/49/38/95/644493895.db2.gz WWCMSRIKJRAMQS-STQMWFEESA-N 1 0 236.359 2.354 10 30 BEEERO C=CCC1(O)CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000717431905 712657905 /nfs/dbraw/zinc/65/79/05/712657905.db2.gz UVCXSGNEPFBIIV-LBPRGKRZSA-N 1 0 211.349 2.434 10 30 BEEERO N#Cc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000721536579 711619035 /nfs/dbraw/zinc/61/90/35/711619035.db2.gz WNVUOJDBWOJMHA-BFHYXJOUSA-N 1 0 227.311 2.231 10 30 BEEERO C=C(Br)C[N@H+]1CCC[C@H]1CCCO ZINC000052762486 711637501 /nfs/dbraw/zinc/63/75/01/711637501.db2.gz STYVSLWZMQHWAR-JTQLQIEISA-N 1 0 248.164 2.132 10 30 BEEERO C[C@H](CC[NH3+])Nc1nc2ccccc2cc1C#N ZINC000310768477 711675208 /nfs/dbraw/zinc/67/52/08/711675208.db2.gz OMOKGCUQQGIJIW-SNVBAGLBSA-N 1 0 240.310 2.256 10 30 BEEERO CC(C)[C@H]([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000232721329 711845540 /nfs/dbraw/zinc/84/55/40/711845540.db2.gz FRJDNTMDFUFIAV-ZCFIWIBFSA-N 1 0 244.751 2.063 10 30 BEEERO Cc1nc(N(C)CCCCCC[NH3+])ccc1C#N ZINC000710684026 712254140 /nfs/dbraw/zinc/25/41/40/712254140.db2.gz QILJMGPGGRKPPP-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO CCC1([NH3+])CCN(c2cccc(F)c2C#N)CC1 ZINC000714753104 712497033 /nfs/dbraw/zinc/49/70/33/712497033.db2.gz VIQQIFRNHOYDES-UHFFFAOYSA-N 1 0 247.317 2.405 10 30 BEEERO N#Cc1cc(Cl)ccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715083653 712507574 /nfs/dbraw/zinc/50/75/74/712507574.db2.gz ZCENPFOALDHMTK-JLIMDTESSA-N 1 0 235.718 2.361 10 30 BEEERO CC(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000111689841 712688219 /nfs/dbraw/zinc/68/82/19/712688219.db2.gz YPOGHMWKMYDFTL-INIZCTEOSA-N 1 0 241.334 2.339 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C#N)cc1F ZINC000721027241 712887243 /nfs/dbraw/zinc/88/72/43/712887243.db2.gz JUGNVTOOMKGNJR-ZYHUDNBSSA-N 1 0 247.317 2.355 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cccc(F)c1C#N ZINC000721029317 712887876 /nfs/dbraw/zinc/88/78/76/712887876.db2.gz UVZRSGPGWJGMRY-GHMZBOCLSA-N 1 0 247.317 2.355 10 30 BEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000042544990 964825703 /nfs/dbraw/zinc/82/57/03/964825703.db2.gz SMMIPQCOSNXELZ-CQSZACIVSA-N 1 0 246.354 2.045 10 30 BEEERO C=C(C)CC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685958948 538906344 /nfs/dbraw/zinc/90/63/44/538906344.db2.gz GFOULLPJFLMCAZ-WFASDCNBSA-N 1 0 247.338 2.454 10 30 BEEERO C#CCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960661 538907761 /nfs/dbraw/zinc/90/77/61/538907761.db2.gz XEJWZNATAFZPIM-UHFFFAOYSA-N 1 0 215.296 2.149 10 30 BEEERO C=C([C@@H]([NH3+])c1cccnc1)C(F)(F)F ZINC000306261380 398138606 /nfs/dbraw/zinc/13/86/06/398138606.db2.gz WAWZKKHGSOVSJE-MRVPVSSYSA-N 1 0 202.179 2.200 10 30 BEEERO Cc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1C#N ZINC000335604339 178035916 /nfs/dbraw/zinc/03/59/16/178035916.db2.gz XCCDIECTTIJNDV-ZWNOBZJWSA-N 1 0 200.285 2.365 10 30 BEEERO CCC(CC)C(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000037551071 168341359 /nfs/dbraw/zinc/34/13/59/168341359.db2.gz BKAIDABTWUNEHG-UHFFFAOYSA-N 1 0 244.338 2.372 10 30 BEEERO CCC(CC)C[N@H+](CC)C[C@@]1(C=O)CCOC1 ZINC000051178493 168349322 /nfs/dbraw/zinc/34/93/22/168349322.db2.gz IIHPPPYZFOWPKE-CQSZACIVSA-N 1 0 241.375 2.350 10 30 BEEERO C=CCC[C@H](CC)[NH2+]CCc1cnn(C)c1 ZINC000127907132 136226675 /nfs/dbraw/zinc/22/66/75/136226675.db2.gz USKSCRANJRLOJR-ZDUSSCGKSA-N 1 0 221.348 2.297 10 30 BEEERO C#CC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000051074727 346833309 /nfs/dbraw/zinc/83/33/09/346833309.db2.gz XWEAJNKXRBERBA-NSHDSACASA-N 1 0 238.128 2.342 10 30 BEEERO CC[NH+](CC)CC#Cc1ccccc1NC(C)=O ZINC000118389734 342790888 /nfs/dbraw/zinc/79/08/88/342790888.db2.gz AZNHRMVEXHNYTG-UHFFFAOYSA-N 1 0 244.338 2.338 10 30 BEEERO [NH2+]=C(NC1CC1)c1ccc(Br)cc1 ZINC000059925673 342875792 /nfs/dbraw/zinc/87/57/92/342875792.db2.gz KQGPFXNMUMCVLA-UHFFFAOYSA-N 1 0 239.116 2.317 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310163725 343358136 /nfs/dbraw/zinc/35/81/36/343358136.db2.gz RBCOXDSQJDYLEM-KGLIPLIRSA-N 1 0 236.359 2.475 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919788 136363891 /nfs/dbraw/zinc/36/38/91/136363891.db2.gz ZMKOBRDQBOHOCP-AWEZNQCLSA-N 1 0 248.374 2.183 10 30 BEEERO C=C(Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920274 136363958 /nfs/dbraw/zinc/36/39/58/136363958.db2.gz MWIXAFDBFQWHDK-UHFFFAOYSA-N 1 0 239.750 2.348 10 30 BEEERO CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054828254 136372923 /nfs/dbraw/zinc/37/29/23/136372923.db2.gz PQJWYVCFYSXOEA-QWHCGFSZSA-N 1 0 224.348 2.331 10 30 BEEERO CO[C@](C)(C[NH2+][C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000381044271 343883716 /nfs/dbraw/zinc/88/37/16/343883716.db2.gz GSVLCWULLXUTBH-KGYLQXTDSA-N 1 0 222.332 2.083 10 30 BEEERO CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000381044272 343883752 /nfs/dbraw/zinc/88/37/52/343883752.db2.gz GSVLCWULLXUTBH-RAIGVLPGSA-N 1 0 222.332 2.083 10 30 BEEERO C[C@@H]1C[NH+]=C(SCC#CC(C)(C)C)N1 ZINC000306888386 343887492 /nfs/dbraw/zinc/88/74/92/343887492.db2.gz VYHOERVZFRJSMY-SECBINFHSA-N 1 0 210.346 2.117 10 30 BEEERO CC#CC[C@@H]([NH3+])c1ccncc1Br ZINC000307638923 343957407 /nfs/dbraw/zinc/95/74/07/343957407.db2.gz YZWRZHISQVXTCF-SNVBAGLBSA-N 1 0 239.116 2.257 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CO1 ZINC000396473645 347023044 /nfs/dbraw/zinc/02/30/44/347023044.db2.gz PZVWXMFUVVPKDW-SDDRHHMPSA-N 1 0 222.332 2.226 10 30 BEEERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CO1 ZINC000396473644 347023050 /nfs/dbraw/zinc/02/30/50/347023050.db2.gz PZVWXMFUVVPKDW-GRYCIOLGSA-N 1 0 222.332 2.226 10 30 BEEERO C=CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128062401 344203180 /nfs/dbraw/zinc/20/31/80/344203180.db2.gz OZEOBJFUUAHGFL-NWDGAFQWSA-N 1 0 205.305 2.142 10 30 BEEERO CC(C)(C)[NH2+]C[C@H](O)CON=C1CCCCC1 ZINC000027708850 344289290 /nfs/dbraw/zinc/28/92/90/344289290.db2.gz SMKAHGIEJDHHFH-LBPRGKRZSA-N 1 0 242.363 2.072 10 30 BEEERO C[C@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135512378 344505983 /nfs/dbraw/zinc/50/59/83/344505983.db2.gz IAQNWSMQZIGGCA-QWRGUYRKSA-N 1 0 215.300 2.184 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000054825551 344471739 /nfs/dbraw/zinc/47/17/39/344471739.db2.gz FHCLCHXVTYIPHD-UONOGXRCSA-N 1 0 229.327 2.296 10 30 BEEERO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000119795020 344549714 /nfs/dbraw/zinc/54/97/14/344549714.db2.gz ZZXAUPCIAASPKU-CHWSQXEVSA-N 1 0 234.299 2.198 10 30 BEEERO C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000408242736 344878862 /nfs/dbraw/zinc/87/88/62/344878862.db2.gz XTUTWYHDDMJGGB-RFQIPJPRSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@@H]1SCC[C@]1(C#N)N1CCCCC1 ZINC000235386571 344899551 /nfs/dbraw/zinc/89/95/51/344899551.db2.gz PXKIJAXHGQUHFF-WDEREUQCSA-N 1 0 210.346 2.260 10 30 BEEERO Nc1ccc(C(=[NH2+])Nc2ccccc2)cc1 ZINC000238542969 345073692 /nfs/dbraw/zinc/07/36/92/345073692.db2.gz DTSSXEONEADBDO-UHFFFAOYSA-N 1 0 211.268 2.306 10 30 BEEERO C=CC[C@@H]([NH3+])C(=O)c1cc(F)ccc1F ZINC000226831277 345243634 /nfs/dbraw/zinc/24/36/34/345243634.db2.gz OLMHHVMLLRKYIQ-SNVBAGLBSA-N 1 0 211.211 2.051 10 30 BEEERO C#Cc1nc([C@@H]([NH3+])C(C)(C)C)sc1C ZINC000159703744 345479381 /nfs/dbraw/zinc/47/93/81/345479381.db2.gz NQALVQDTDXEXLF-SECBINFHSA-N 1 0 208.330 2.479 10 30 BEEERO CC(C)(CCC#N)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179550981 534998117 /nfs/dbraw/zinc/99/81/17/534998117.db2.gz MZGKDSUKTDOHDC-CYBMUJFWSA-N 1 0 235.375 2.096 10 30 BEEERO CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)OC ZINC000378813574 345604470 /nfs/dbraw/zinc/60/44/70/345604470.db2.gz IVFFELMEMHXULM-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO C#C[C@@H]([NH2+]C)c1csc(Br)c1 ZINC000163774349 345776503 /nfs/dbraw/zinc/77/65/03/345776503.db2.gz ONCBLSHPYTUSCR-SSDOTTSWSA-N 1 0 230.130 2.404 10 30 BEEERO C=C(C)C[C@H]([NH3+])c1cccc2c1OCCO2 ZINC000163974433 345781757 /nfs/dbraw/zinc/78/17/57/345781757.db2.gz KPHCFVROCGNLQL-NSHDSACASA-N 1 0 219.284 2.424 10 30 BEEERO CC[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1C#N)OC ZINC000322636367 345951967 /nfs/dbraw/zinc/95/19/67/345951967.db2.gz SLQNOWCJEROQNW-FRRDWIJNSA-N 1 0 224.348 2.473 10 30 BEEERO C([C@@H]1CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061819893 345952620 /nfs/dbraw/zinc/95/26/20/345952620.db2.gz SXKGCKYQGNEFOK-GFCCVEGCSA-N 1 0 209.333 2.432 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300229606 345994866 /nfs/dbraw/zinc/99/48/66/345994866.db2.gz GBIVZUAOVLKOFC-WOPDTQHZSA-N 1 0 224.373 2.411 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236215580 346211466 /nfs/dbraw/zinc/21/14/66/346211466.db2.gz JDQYWGLLURVHQH-OLZOCXBDSA-N 1 0 222.332 2.085 10 30 BEEERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC#N)C12CCC2 ZINC000309529879 347093886 /nfs/dbraw/zinc/09/38/86/347093886.db2.gz DCOBPGLKGMULML-IJLUTSLNSA-N 1 0 222.332 2.083 10 30 BEEERO C[NH+](C)Cc1cccc(OCCCC#N)c1 ZINC000168757751 346742876 /nfs/dbraw/zinc/74/28/76/346742876.db2.gz DXSOJMBUEJVNEG-UHFFFAOYSA-N 1 0 218.300 2.431 10 30 BEEERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967489 179188152 /nfs/dbraw/zinc/18/81/52/179188152.db2.gz KAUAFZSVNDYYBY-KCQAQPDRSA-N 1 0 245.370 2.475 10 30 BEEERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000042967487 179188954 /nfs/dbraw/zinc/18/89/54/179188954.db2.gz KAUAFZSVNDYYBY-GZBFAFLISA-N 1 0 245.370 2.475 10 30 BEEERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CCC#N ZINC000043034124 179328129 /nfs/dbraw/zinc/32/81/29/179328129.db2.gz BAXXHNZLMDWIKY-GXTWGEPZSA-N 1 0 231.343 2.229 10 30 BEEERO CC(C)[N@@H+](Cc1ccc(C#N)s1)C[C@@H](C)O ZINC000120024046 187385114 /nfs/dbraw/zinc/38/51/14/187385114.db2.gz DWMXNWCXSWKBKO-SNVBAGLBSA-N 1 0 238.356 2.211 10 30 BEEERO c1csc(CNC2=[NH+]CCCS2)c1 ZINC000036984647 347996664 /nfs/dbraw/zinc/99/66/64/347996664.db2.gz QOKHDYKBRPOOEB-UHFFFAOYSA-N 1 0 212.343 2.331 10 30 BEEERO C=C(C)C(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616570312 348038366 /nfs/dbraw/zinc/03/83/66/348038366.db2.gz ADIZUOJBUDDOAU-UHFFFAOYSA-N 1 0 218.300 2.277 10 30 BEEERO N#Cc1c(F)cccc1NCC1([NH3+])CCCC1 ZINC000594692198 348099932 /nfs/dbraw/zinc/09/99/32/348099932.db2.gz OEUUEEQNEPHZOL-UHFFFAOYSA-N 1 0 233.290 2.381 10 30 BEEERO C#CC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000034992265 187392583 /nfs/dbraw/zinc/39/25/83/187392583.db2.gz ZWJUEKIFXKCONQ-UHFFFAOYSA-N 1 0 239.702 2.080 10 30 BEEERO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@H]1C#N ZINC000595695610 348306124 /nfs/dbraw/zinc/30/61/24/348306124.db2.gz WZUIZFFQEHNENI-BFHYXJOUSA-N 1 0 235.375 2.143 10 30 BEEERO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCCC[C@@H]1C#N ZINC000595695611 348306292 /nfs/dbraw/zinc/30/62/92/348306292.db2.gz WZUIZFFQEHNENI-MCIONIFRSA-N 1 0 235.375 2.143 10 30 BEEERO COC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595688236 348313832 /nfs/dbraw/zinc/31/38/32/348313832.db2.gz CZXKDRCMZZSVEQ-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)cc1F ZINC000596030242 348426268 /nfs/dbraw/zinc/42/62/68/348426268.db2.gz QCPZUXDSMVANIX-GFCCVEGCSA-N 1 0 235.306 2.483 10 30 BEEERO C[NH2+]C[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000596031177 348426674 /nfs/dbraw/zinc/42/66/74/348426674.db2.gz AWNTTWSYLMWJJE-QMMMGPOBSA-N 1 0 223.707 2.231 10 30 BEEERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CO1 ZINC000597197778 348673753 /nfs/dbraw/zinc/67/37/53/348673753.db2.gz YXPOKGKUTBFUET-WUHRBBMRSA-N 1 0 222.332 2.226 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382194629 348959438 /nfs/dbraw/zinc/95/94/38/348959438.db2.gz CVCULQPVWGKGII-IEECTRCBSA-N 1 0 204.317 2.457 10 30 BEEERO C=CCN(C(=O)[C@@H]([NH3+])CC(C)C)C1CCCC1 ZINC000037817671 166311257 /nfs/dbraw/zinc/31/12/57/166311257.db2.gz QHQHITFESLWRFE-ZDUSSCGKSA-N 1 0 238.375 2.317 10 30 BEEERO Cc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1C#N ZINC000599299932 349140922 /nfs/dbraw/zinc/14/09/22/349140922.db2.gz QFAOSOSMNKTFBA-ZDUSSCGKSA-N 1 0 244.338 2.071 10 30 BEEERO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cc1C#N ZINC000599440299 349178541 /nfs/dbraw/zinc/17/85/41/349178541.db2.gz JDCVXECECGGATQ-SWLSCSKDSA-N 1 0 244.338 2.212 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402072209 349331044 /nfs/dbraw/zinc/33/10/44/349331044.db2.gz IITIKCLHMFZUHU-IHRRRGAJSA-N 1 0 236.359 2.475 10 30 BEEERO Cc1nc(NCC[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000309247202 180018955 /nfs/dbraw/zinc/01/89/55/180018955.db2.gz MEIXANAMGYDNNW-ZETCQYMHSA-N 1 0 238.722 2.064 10 30 BEEERO C[C@@H]1C[C@@H](C)CN(C(=[NH2+])NCc2ccccc2)C1 ZINC000073066882 350232855 /nfs/dbraw/zinc/23/28/55/350232855.db2.gz ZZPHKTFYXIJAHZ-CHWSQXEVSA-N 1 0 245.370 2.479 10 30 BEEERO N#C[C@@]1(N2CCCCCC2)CCSC1 ZINC000038086109 350304109 /nfs/dbraw/zinc/30/41/09/350304109.db2.gz VWDISYADPMGMCE-NSHDSACASA-N 1 0 210.346 2.262 10 30 BEEERO CC(C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263268164 535124029 /nfs/dbraw/zinc/12/40/29/535124029.db2.gz OCLNLVYBOANLHY-SNVBAGLBSA-N 1 0 209.337 2.022 10 30 BEEERO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163174701 350508945 /nfs/dbraw/zinc/50/89/45/350508945.db2.gz HXAJXWSGNPOTHH-MJBXVCDLSA-N 1 0 221.344 2.025 10 30 BEEERO CN(c1ccc(Cl)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000104362865 187460924 /nfs/dbraw/zinc/46/09/24/187460924.db2.gz QSITVHXKQOFSRD-LBPRGKRZSA-N 1 0 249.745 2.400 10 30 BEEERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616599611 350754529 /nfs/dbraw/zinc/75/45/29/350754529.db2.gz SNOWIBQYIHNNIL-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236217300 350731950 /nfs/dbraw/zinc/73/19/50/350731950.db2.gz JDQYWGLLURVHQH-CHWSQXEVSA-N 1 0 222.332 2.085 10 30 BEEERO C=CCC[C@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000125324954 350732615 /nfs/dbraw/zinc/73/26/15/350732615.db2.gz REWJFTSTCWHLQK-OLZOCXBDSA-N 1 0 209.333 2.500 10 30 BEEERO N#Cc1ccccc1[C@H]1CCC[NH2+]CC1 ZINC000616600544 350780801 /nfs/dbraw/zinc/78/08/01/350780801.db2.gz DKTYGWJMYMKVLN-NSHDSACASA-N 1 0 200.285 2.415 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616602504 350791907 /nfs/dbraw/zinc/79/19/07/350791907.db2.gz YIBVNWVTFZTQQV-CYBMUJFWSA-N 1 0 243.354 2.086 10 30 BEEERO N#Cc1cccc([C@H]2CCCC[N@H+]2CCO)c1 ZINC000616614222 350830316 /nfs/dbraw/zinc/83/03/16/350830316.db2.gz LGMZFPLNJVRUFW-CQSZACIVSA-N 1 0 230.311 2.078 10 30 BEEERO N#Cc1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616615114 350845667 /nfs/dbraw/zinc/84/56/67/350845667.db2.gz QOVNHNMCVBLCSH-CQSZACIVSA-N 1 0 229.327 2.044 10 30 BEEERO CNC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000052069142 350902658 /nfs/dbraw/zinc/90/26/58/350902658.db2.gz BKZVVUBCBLIUBP-UHFFFAOYSA-N 1 0 218.087 2.159 10 30 BEEERO CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336682982 350910411 /nfs/dbraw/zinc/91/04/11/350910411.db2.gz DJCOFKOBBIZKGM-YNEHKIRRSA-N 1 0 224.348 2.473 10 30 BEEERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)O1 ZINC000398172199 351008767 /nfs/dbraw/zinc/00/87/67/351008767.db2.gz UVXUZBDARDPDFK-LPWJVIDDSA-N 1 0 222.332 2.226 10 30 BEEERO N#Cc1ccc([C@H]2CCC[N@@H+](CCO)CC2)cc1 ZINC000616630234 351102451 /nfs/dbraw/zinc/10/24/51/351102451.db2.gz ZHKFYZXOHVQDHO-AWEZNQCLSA-N 1 0 244.338 2.120 10 30 BEEERO N#Cc1ccc([C@@H]2CCCCC[N@H+]2CCO)cc1 ZINC000616624887 351093188 /nfs/dbraw/zinc/09/31/88/351093188.db2.gz IGVFMPGIGBVYAG-HNNXBMFYSA-N 1 0 244.338 2.468 10 30 BEEERO N#Cc1cccc([C@@H]2CCC[NH2+]CC2)c1 ZINC000616628640 351098516 /nfs/dbraw/zinc/09/85/16/351098516.db2.gz FSXXYNUXYPKIEE-GFCCVEGCSA-N 1 0 200.285 2.415 10 30 BEEERO CC[N@@H+]1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616649852 351179718 /nfs/dbraw/zinc/17/97/18/351179718.db2.gz LPNMARZKXQGLLL-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC[N@@H+]1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616686992 351257584 /nfs/dbraw/zinc/25/75/84/351257584.db2.gz OTKMZJHCCSPUEM-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO C=C(Br)CNc1cc(N)c(C)c[nH+]1 ZINC000168189925 351335757 /nfs/dbraw/zinc/33/57/57/351335757.db2.gz IJPPVYPOWWKLCN-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000638454899 352264284 /nfs/dbraw/zinc/26/42/84/352264284.db2.gz NNLCQROJPVFNIZ-GHMZBOCLSA-N 1 0 226.364 2.078 10 30 BEEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000044493024 352341790 /nfs/dbraw/zinc/34/17/90/352341790.db2.gz OYPKLGDYZRKBOG-LLVKDONJSA-N 1 0 233.290 2.251 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)O1 ZINC000411722572 191205887 /nfs/dbraw/zinc/20/58/87/191205887.db2.gz QXYCUOSRWZDHMG-QJPTWQEYSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CCO1 ZINC000300385839 352562209 /nfs/dbraw/zinc/56/22/09/352562209.db2.gz OAKFFBVQNCIRSC-LPWJVIDDSA-N 1 0 222.332 2.226 10 30 BEEERO C[C@@H](C#N)Oc1cccc(C[NH3+])c1Cl ZINC000307572881 352658184 /nfs/dbraw/zinc/65/81/84/352658184.db2.gz FLTTUWGFRNUOPW-ZETCQYMHSA-N 1 0 210.664 2.090 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638875444 353041550 /nfs/dbraw/zinc/04/15/50/353041550.db2.gz UDRJLSARLHOUFB-VXGBXAGGSA-N 1 0 238.375 2.222 10 30 BEEERO C=CCCC(C)(C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000638873649 353043773 /nfs/dbraw/zinc/04/37/73/353043773.db2.gz CTKCQUDRKCXYTA-GFCCVEGCSA-N 1 0 240.391 2.468 10 30 BEEERO C=CC[C@H]1C[N@@H+](C)C[C@@]1(O)c1ccccc1 ZINC000033639004 188060907 /nfs/dbraw/zinc/06/09/07/188060907.db2.gz YMSTWDUALQERSI-UONOGXRCSA-N 1 0 217.312 2.012 10 30 BEEERO C#CCOc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000050209319 353170647 /nfs/dbraw/zinc/17/06/47/353170647.db2.gz VTXRLEXNDKSUCV-MRVPVSSYSA-N 1 0 209.676 2.372 10 30 BEEERO C/[NH+]=C(/c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000012343387 188105318 /nfs/dbraw/zinc/10/53/18/188105318.db2.gz OTPAPTCLOVFKSV-YPKPFQOOSA-N 1 0 247.298 2.457 10 30 BEEERO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CO1 ZINC000019389959 188107129 /nfs/dbraw/zinc/10/71/29/188107129.db2.gz CTOXXLRUDZFYNZ-ZDUSSCGKSA-N 1 0 205.301 2.296 10 30 BEEERO Cc1ccc(OCC[N@@H+]2CCC[C@H](C=O)C2)cc1 ZINC000054237042 188127278 /nfs/dbraw/zinc/12/72/78/188127278.db2.gz XMQHVKIXFNCXFY-AWEZNQCLSA-N 1 0 247.338 2.285 10 30 BEEERO Cn1ccnc1CC[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054828411 188127393 /nfs/dbraw/zinc/12/73/93/188127393.db2.gz BGHFQWMGCHXFTA-STQMWFEESA-N 1 0 246.358 2.025 10 30 BEEERO CC(C)[N@H+](CCCO)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000042504329 188151225 /nfs/dbraw/zinc/15/12/25/188151225.db2.gz BFKHUOLNXVIWTC-BFHYXJOUSA-N 1 0 238.375 2.408 10 30 BEEERO C[NH+]1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC000013610025 188165822 /nfs/dbraw/zinc/16/58/22/188165822.db2.gz AKRLCZYRAWNVRE-UHFFFAOYSA-N 1 0 218.275 2.313 10 30 BEEERO C=CCc1ccccc1OCCC[NH2+]C ZINC000019777018 188172773 /nfs/dbraw/zinc/17/27/73/188172773.db2.gz XHFMGYTVTQSLDF-UHFFFAOYSA-N 1 0 205.301 2.403 10 30 BEEERO C=C(C[NH3+])c1ccc(Br)cc1 ZINC000013521768 188225661 /nfs/dbraw/zinc/22/56/61/188225661.db2.gz NIKVTWGNENMSMA-UHFFFAOYSA-N 1 0 212.090 2.421 10 30 BEEERO C#CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107160 353332119 /nfs/dbraw/zinc/33/21/19/353332119.db2.gz OMVBQGQPSRVXSR-CABCVRRESA-N 1 0 229.323 2.208 10 30 BEEERO C#C[C@@H]([NH3+])c1cccc(Br)c1C ZINC000130238213 353345851 /nfs/dbraw/zinc/34/58/51/353345851.db2.gz PRVBPRMMCRBCMN-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C=CCCC[N@@H+](C)Cc1c(C)nn(C)c1OC ZINC000093533627 353489772 /nfs/dbraw/zinc/48/97/72/353489772.db2.gz GVRWTBUIDVHZBT-UHFFFAOYSA-N 1 0 237.347 2.135 10 30 BEEERO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000183099992 353509765 /nfs/dbraw/zinc/50/97/65/353509765.db2.gz UXUHEFNHEOPUFZ-SWLSCSKDSA-N 1 0 247.313 2.334 10 30 BEEERO C=CC[N@H+](Cc1cccc(C#N)c1)CC(C)(C)O ZINC000136372260 353647545 /nfs/dbraw/zinc/64/75/45/353647545.db2.gz WNUKVGPOLJQSRH-UHFFFAOYSA-N 1 0 244.338 2.317 10 30 BEEERO N#C[C@@H](c1ccccc1Cl)N1CCC[NH2+]CC1 ZINC000037940511 188471684 /nfs/dbraw/zinc/47/16/84/188471684.db2.gz ULTVFRJEOAYHSM-ZDUSSCGKSA-N 1 0 249.745 2.200 10 30 BEEERO N#CCOc1ccc2ccccc2c1C[NH3+] ZINC000037711095 181044178 /nfs/dbraw/zinc/04/41/78/181044178.db2.gz KEALTIMEMYTYFS-UHFFFAOYSA-N 1 0 212.252 2.201 10 30 BEEERO N#CC[C@@H](c1ccccc1)N1CCC([NH3+])CC1 ZINC000055019624 181044858 /nfs/dbraw/zinc/04/48/58/181044858.db2.gz FOWMZMWQQPQNHI-AWEZNQCLSA-N 1 0 229.327 2.064 10 30 BEEERO N#C[C@H](c1cccc(Cl)c1)N1CCC[NH2+]CC1 ZINC000037940467 181066634 /nfs/dbraw/zinc/06/66/34/181066634.db2.gz WXSWEUMOZKMPGG-CYBMUJFWSA-N 1 0 249.745 2.200 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054827222 181058335 /nfs/dbraw/zinc/05/83/35/181058335.db2.gz CPSVARJBJWANJI-BYNSBNAKSA-N 1 0 247.386 2.285 10 30 BEEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825919 181067646 /nfs/dbraw/zinc/06/76/46/181067646.db2.gz JWUQAIQZTFOMTN-MJBXVCDLSA-N 1 0 236.359 2.475 10 30 BEEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]C1(CO)CCCC1 ZINC000054829848 181067676 /nfs/dbraw/zinc/06/76/76/181067676.db2.gz RRLCEWRXMDBXEC-OLZOCXBDSA-N 1 0 236.359 2.354 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000061891171 181069273 /nfs/dbraw/zinc/06/92/73/181069273.db2.gz PMRZGBVDLBZINX-PWSUYJOCSA-N 1 0 216.284 2.174 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000054825933 181069647 /nfs/dbraw/zinc/06/96/47/181069647.db2.gz HQKAVHCXSBXQRW-ZYHUDNBSSA-N 1 0 204.273 2.104 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093211071 181076245 /nfs/dbraw/zinc/07/62/45/181076245.db2.gz PNFDGLYVQIJUCV-ZJUUUORDSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000039115536 181084906 /nfs/dbraw/zinc/08/49/06/181084906.db2.gz RSCKVQDVWADWAI-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO N#Cc1cc(Cl)ccc1NC1CC[NH2+]CC1 ZINC000052858584 181085576 /nfs/dbraw/zinc/08/55/76/181085576.db2.gz DFCKLIOQNRQRPE-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1cc(NC2CC[NH2+]CC2)ccc1Cl ZINC000038041022 181090784 /nfs/dbraw/zinc/09/07/84/181090784.db2.gz MFMNCOOJWYSGDV-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1ccc(NCCC[NH3+])cc1C(F)(F)F ZINC000036805533 181121026 /nfs/dbraw/zinc/12/10/26/181121026.db2.gz KUVMSMNVWHJPJK-UHFFFAOYSA-N 1 0 243.232 2.338 10 30 BEEERO N#Cc1ccc(Cl)cc1NC1CC([NH3+])C1 ZINC000062785741 181111577 /nfs/dbraw/zinc/11/15/77/181111577.db2.gz LZKGPTQUISIFDJ-UHFFFAOYSA-N 1 0 221.691 2.113 10 30 BEEERO N#Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000077393373 181117110 /nfs/dbraw/zinc/11/71/10/181117110.db2.gz UVLYYUZQMQDTGI-UHFFFAOYSA-N 1 0 243.310 2.016 10 30 BEEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000061847566 181128865 /nfs/dbraw/zinc/12/88/65/181128865.db2.gz LEKGUWUIMQMBTH-JTQLQIEISA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000037749254 181137851 /nfs/dbraw/zinc/13/78/51/181137851.db2.gz YHCIFSZIVXIEKQ-HUUCEWRRSA-N 1 0 244.338 2.341 10 30 BEEERO N#CC1(C[N@@H+]2CCC[C@@]3(CCOC3)C2)CCC1 ZINC000335160974 354911983 /nfs/dbraw/zinc/91/19/83/354911983.db2.gz ZSCZCBOESSVMLR-CQSZACIVSA-N 1 0 234.343 2.183 10 30 BEEERO C[N@@H+]1CCC[C@H]2CN(CC3(C#N)CCC3)CC[C@H]21 ZINC000336187514 134122228 /nfs/dbraw/zinc/12/22/28/134122228.db2.gz DVAYLGNZSJVHAW-UONOGXRCSA-N 1 0 247.386 2.096 10 30 BEEERO C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C[C@H]1C ZINC000675060091 538485702 /nfs/dbraw/zinc/48/57/02/538485702.db2.gz RYENGWHTWHAVLO-POQQGIQPSA-N 1 0 223.360 2.483 10 30 BEEERO CC1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060179 538486074 /nfs/dbraw/zinc/48/60/74/538486074.db2.gz TUWDJWUBUHMBPR-MVKMKZAISA-N 1 0 209.333 2.237 10 30 BEEERO CC1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060177 538486077 /nfs/dbraw/zinc/48/60/77/538486077.db2.gz TUWDJWUBUHMBPR-KPFVRQRISA-N 1 0 209.333 2.237 10 30 BEEERO C[C@@H]1CCC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675060096 538486169 /nfs/dbraw/zinc/48/61/69/538486169.db2.gz RZUFXHCRLDSXLN-NDBYEHHHSA-N 1 0 209.333 2.237 10 30 BEEERO C#CC[NH2+]C[C@@H](C)N(CC)Cc1ccccc1 ZINC000053489046 357003609 /nfs/dbraw/zinc/00/36/09/357003609.db2.gz POZMQWAGGRMISD-CQSZACIVSA-N 1 0 230.355 2.120 10 30 BEEERO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000232529964 357664675 /nfs/dbraw/zinc/66/46/75/357664675.db2.gz IUVRCCALMDGYJT-CYBMUJFWSA-N 1 0 238.375 2.411 10 30 BEEERO C[C@H](CC#N)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044677019 491114960 /nfs/dbraw/zinc/11/49/60/491114960.db2.gz IQTDDOGIFNKJPD-RAIGVLPGSA-N 1 0 200.285 2.434 10 30 BEEERO N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000351224311 358163378 /nfs/dbraw/zinc/16/33/78/358163378.db2.gz JZYXMOSXSYDLTJ-KBPBESRZSA-N 1 0 242.322 2.421 10 30 BEEERO N#Cc1cccc([C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000584652051 358307173 /nfs/dbraw/zinc/30/71/73/358307173.db2.gz ZYHHVHRHVHGRGP-LLVKDONJSA-N 1 0 240.228 2.352 10 30 BEEERO Cc1cnn(CC[NH2+]CC(C)(C)CCC#N)c1 ZINC000174362818 134281099 /nfs/dbraw/zinc/28/10/99/134281099.db2.gz DTOPTGPJULKLPO-UHFFFAOYSA-N 1 0 234.347 2.111 10 30 BEEERO C[N@H+](C[C@H]1CCCO1)CC(C)(C)CCC#N ZINC000128131669 358570993 /nfs/dbraw/zinc/57/09/93/358570993.db2.gz JDVPGINVJCOBTP-GFCCVEGCSA-N 1 0 224.348 2.427 10 30 BEEERO CC1(C)CC[N@H+](CCS)CCS1 ZINC000231070970 358648818 /nfs/dbraw/zinc/64/88/18/358648818.db2.gz RDUQWXCYPUCHPL-UHFFFAOYSA-N 1 0 205.392 2.134 10 30 BEEERO C=CC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134144186 358781846 /nfs/dbraw/zinc/78/18/46/358781846.db2.gz XVIHOWVAGVMDGX-BXUZGUMPSA-N 1 0 217.312 2.496 10 30 BEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC#N ZINC000136075988 358861366 /nfs/dbraw/zinc/86/13/66/358861366.db2.gz AAMDXYZSPMTLDE-UONOGXRCSA-N 1 0 235.375 2.239 10 30 BEEERO C=CCNc1cc(C)nc(-c2ccncc2)n1 ZINC000057824908 358907191 /nfs/dbraw/zinc/90/71/91/358907191.db2.gz GABRZECIZGWYFN-UHFFFAOYSA-N 1 0 226.283 2.445 10 30 BEEERO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@](N)(C#N)C1 ZINC000403386659 358944287 /nfs/dbraw/zinc/94/42/87/358944287.db2.gz GNXNWHLJDILBAO-CABCVRRESA-N 1 0 243.354 2.282 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000299970581 358958303 /nfs/dbraw/zinc/95/83/03/358958303.db2.gz VOIAULJJOFSTIP-DCAQKATOSA-N 1 0 210.346 2.164 10 30 BEEERO N#Cc1ccc(-c2cnc(C[NH3+])s2)s1 ZINC000306242807 359426011 /nfs/dbraw/zinc/42/60/11/359426011.db2.gz SVIUBSQGVDMUFE-UHFFFAOYSA-N 1 0 221.310 2.202 10 30 BEEERO C[C@@H](C#N)C[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090976991 360095711 /nfs/dbraw/zinc/09/57/11/360095711.db2.gz UXMIXZVAFOBJPP-AAEUAGOBSA-N 1 0 214.312 2.418 10 30 BEEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)F)C1 ZINC000306474424 360111743 /nfs/dbraw/zinc/11/17/43/360111743.db2.gz VVZRGXAERVJDPI-IVZWLZJFSA-N 1 0 201.260 2.422 10 30 BEEERO CC(C)(C#N)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093097767 360218971 /nfs/dbraw/zinc/21/89/71/360218971.db2.gz ODNFGLCOFUDLOX-CYBMUJFWSA-N 1 0 235.375 2.096 10 30 BEEERO C=C([C@H](F)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306499933 360261266 /nfs/dbraw/zinc/26/12/66/360261266.db2.gz LNRYEROAFBERMQ-SFYZADRCSA-N 1 0 211.202 2.443 10 30 BEEERO CC(C)(C=O)[N@@H+]1CCSC(C)(C)CC1 ZINC000306558256 360432340 /nfs/dbraw/zinc/43/23/40/360432340.db2.gz OXXOLKFJHSXUNZ-UHFFFAOYSA-N 1 0 215.362 2.181 10 30 BEEERO C=C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000036372986 360483551 /nfs/dbraw/zinc/48/35/51/360483551.db2.gz ZIBOOJFTERHMSH-ZDUSSCGKSA-N 1 0 203.285 2.073 10 30 BEEERO C[C@@H]1c2ccsc2CC[N@H+]1CC[C@H]1CO1 ZINC000306600902 360528274 /nfs/dbraw/zinc/52/82/74/360528274.db2.gz ACQVTXBHRYDNJC-ZJUUUORDSA-N 1 0 223.341 2.456 10 30 BEEERO NC(=[NH2+])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013858906 181322962 /nfs/dbraw/zinc/32/29/62/181322962.db2.gz HASGWVOTHYCRIP-UHFFFAOYSA-N 1 0 237.612 2.264 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@H]1CCCOC1 ZINC000388916984 364224988 /nfs/dbraw/zinc/22/49/88/364224988.db2.gz ORVDQWIZXGEASA-XDQVBPFNSA-N 1 0 236.359 2.473 10 30 BEEERO N#Cc1c(F)cccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600959020 364373296 /nfs/dbraw/zinc/37/32/96/364373296.db2.gz QGLCVPVIMZEDMZ-LLVKDONJSA-N 1 0 247.317 2.405 10 30 BEEERO C=C(Cl)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000136079138 364456228 /nfs/dbraw/zinc/45/62/28/364456228.db2.gz MXBYKDOGNVIMKA-VXGBXAGGSA-N 1 0 228.767 2.298 10 30 BEEERO C=C(Br)C[NH2+]CC1CCC1 ZINC000037681240 364517211 /nfs/dbraw/zinc/51/72/11/364517211.db2.gz IQYKOVYBMVZWCE-UHFFFAOYSA-N 1 0 204.111 2.285 10 30 BEEERO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336683428 365351190 /nfs/dbraw/zinc/35/11/90/365351190.db2.gz IVGJCTGFOBYHGW-GHMZBOCLSA-N 1 0 212.362 2.410 10 30 BEEERO CC[C@@H]1CN(c2ccc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000122959483 368977158 /nfs/dbraw/zinc/97/71/58/368977158.db2.gz ZTVNOPUBUZGVCW-YPMHNXCESA-N 1 0 247.317 2.261 10 30 BEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114474149 368941533 /nfs/dbraw/zinc/94/15/33/368941533.db2.gz LJKDDLBPWALUIN-GFCCVEGCSA-N 1 0 240.391 2.435 10 30 BEEERO CC[C@H]1CN(c2ccc(F)cc2C#N)CC[C@@H]1[NH3+] ZINC000123007352 369065918 /nfs/dbraw/zinc/06/59/18/369065918.db2.gz GWZALSKBUUDJHE-GWCFXTLKSA-N 1 0 247.317 2.261 10 30 BEEERO COCCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054827741 369100654 /nfs/dbraw/zinc/10/06/54/369100654.db2.gz NFSFEIRQKIUGQB-NWDGAFQWSA-N 1 0 210.321 2.085 10 30 BEEERO CCC[NH+]1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000054827103 369100875 /nfs/dbraw/zinc/10/08/75/369100875.db2.gz PLKMGOJFYAWLTD-JSGCOSHPSA-N 1 0 235.375 2.143 10 30 BEEERO C#CC[C@@H]([NH3+])Cc1ccccc1Br ZINC000055335214 369192872 /nfs/dbraw/zinc/19/28/72/369192872.db2.gz DITMUHBOJKRMPU-SNVBAGLBSA-N 1 0 238.128 2.342 10 30 BEEERO N#Cc1c(F)cccc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959021 369578452 /nfs/dbraw/zinc/57/84/52/369578452.db2.gz QGLCVPVIMZEDMZ-NSHDSACASA-N 1 0 247.317 2.405 10 30 BEEERO C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH3+] ZINC000600960896 369581687 /nfs/dbraw/zinc/58/16/87/369581687.db2.gz JZWXKTWJGQIHOG-GXSJLCMTSA-N 1 0 249.745 2.243 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000251384467 369787132 /nfs/dbraw/zinc/78/71/32/369787132.db2.gz QJNUMKZESJMRNB-YNEHKIRRSA-N 1 0 222.332 2.227 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000251384463 369787217 /nfs/dbraw/zinc/78/72/17/369787217.db2.gz QJNUMKZESJMRNB-XQQFMLRXSA-N 1 0 222.332 2.227 10 30 BEEERO C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C#N)CC[N@@H+]1C ZINC000252134594 369998982 /nfs/dbraw/zinc/99/89/82/369998982.db2.gz MKMPJRFLRXITTR-RQJABVFESA-N 1 0 235.375 2.141 10 30 BEEERO O/N=C1\CCCC[C@H]1/[N+](O)=C/c1ccccc1 ZINC000225433776 370626381 /nfs/dbraw/zinc/62/63/81/370626381.db2.gz DEYVTMLATUPILU-VMTONAPISA-O 1 0 233.291 2.280 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000162462365 371691498 /nfs/dbraw/zinc/69/14/98/371691498.db2.gz XAVGQCPEXGEIHG-NWDGAFQWSA-N 1 0 224.373 2.411 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000162462533 371691944 /nfs/dbraw/zinc/69/19/44/371691944.db2.gz XAVGQCPEXGEIHG-RYUDHWBXSA-N 1 0 224.373 2.411 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000228027902 371978142 /nfs/dbraw/zinc/97/81/42/371978142.db2.gz UBCISDPHOFYIGK-NWDGAFQWSA-N 1 0 209.333 2.476 10 30 BEEERO CCC[C@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000133118567 371991504 /nfs/dbraw/zinc/99/15/04/371991504.db2.gz CNQKYQFWBHIMJT-LBPRGKRZSA-N 1 0 223.364 2.000 10 30 BEEERO C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)[C@H]1CO1 ZINC000306729080 372061329 /nfs/dbraw/zinc/06/13/29/372061329.db2.gz OGKHZRXMEUBNIJ-FRRDWIJNSA-N 1 0 209.333 2.430 10 30 BEEERO C=C(C)[C@@H]([NH3+])c1nscc1Br ZINC000404805663 372117822 /nfs/dbraw/zinc/11/78/22/372117822.db2.gz NKJFGECLQQZOTA-ZCFIWIBFSA-N 1 0 233.134 2.482 10 30 BEEERO C=C[C@@H]([NH3+])c1ccoc1Br ZINC000229299168 372137745 /nfs/dbraw/zinc/13/77/45/372137745.db2.gz RVZXHOCRPGTGQD-ZCFIWIBFSA-N 1 0 202.051 2.228 10 30 BEEERO CCN1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040502133 373356271 /nfs/dbraw/zinc/35/62/71/373356271.db2.gz ADKFSPNEOAFLLZ-HNNXBMFYSA-N 1 0 243.354 2.132 10 30 BEEERO O=C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000104832962 182857834 /nfs/dbraw/zinc/85/78/34/182857834.db2.gz FIYUKWDVNOJKHT-CYBMUJFWSA-N 1 0 203.285 2.413 10 30 BEEERO OCCC#Cc1ccccc1C[NH+]1CCCC1 ZINC000049615567 183041885 /nfs/dbraw/zinc/04/18/85/183041885.db2.gz MWPKYDCEOXAQSG-UHFFFAOYSA-N 1 0 229.323 2.016 10 30 BEEERO OCC#Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000049616145 183032395 /nfs/dbraw/zinc/03/23/95/183032395.db2.gz ZQQZYYCFCRIVTA-UHFFFAOYSA-N 1 0 243.350 2.406 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608871 169129687 /nfs/dbraw/zinc/12/96/87/169129687.db2.gz GRBZVZNLJIYLTI-UHFFFAOYSA-N 1 0 248.345 2.368 10 30 BEEERO CCC[N@H+](Cc1cccc(C#CCO)c1)C1CC1 ZINC000049617695 169176075 /nfs/dbraw/zinc/17/60/75/169176075.db2.gz RTDOLRAVUIBEMF-UHFFFAOYSA-N 1 0 243.350 2.405 10 30 BEEERO CCC[N@H+](CC[C@@H](C#N)NC1CC1)CC1CC1 ZINC000062436769 169170332 /nfs/dbraw/zinc/17/03/32/169170332.db2.gz XDLSEQDALHXFHH-AWEZNQCLSA-N 1 0 235.375 2.143 10 30 BEEERO CCCOc1cccc(C(NC(C)C)=[NH+]N)c1 ZINC000061668416 169324521 /nfs/dbraw/zinc/32/45/21/169324521.db2.gz UVMOVMPSFPZBBM-UHFFFAOYSA-N 1 0 235.331 2.094 10 30 BEEERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCC#N ZINC000050209371 383969582 /nfs/dbraw/zinc/96/95/82/383969582.db2.gz JXBIKJXNMOSWAB-SSDOTTSWSA-N 1 0 210.664 2.262 10 30 BEEERO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO1 ZINC000128091949 384150541 /nfs/dbraw/zinc/15/05/41/384150541.db2.gz MNOXGYBHYMEXLQ-JTQLQIEISA-N 1 0 236.340 2.231 10 30 BEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336255173 384185564 /nfs/dbraw/zinc/18/55/64/384185564.db2.gz XSTHNHTYOHNHHR-YGRLFVJLSA-N 1 0 248.301 2.043 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@H](C)CCC[NH3+])n1 ZINC000310349856 384240406 /nfs/dbraw/zinc/24/04/06/384240406.db2.gz PBCRFONFJUYBDG-SNVBAGLBSA-N 1 0 232.331 2.109 10 30 BEEERO C[C@H](CC[NH3+])Nc1cc(Cl)ccc1C#N ZINC000336685247 384247977 /nfs/dbraw/zinc/24/79/77/384247977.db2.gz KQEUYGPJDXBUSY-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000165060755 384372444 /nfs/dbraw/zinc/37/24/44/384372444.db2.gz IECFZRJJBQGYAR-BXKDBHETSA-N 1 0 204.273 2.429 10 30 BEEERO C[NH+](C)[C@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000110258772 384488744 /nfs/dbraw/zinc/48/87/44/384488744.db2.gz WXWINYGFVODIMK-JTQLQIEISA-N 1 0 249.745 2.352 10 30 BEEERO N#C[C@@]1(NC2CCCC2)CCCSC1 ZINC000061590451 384519257 /nfs/dbraw/zinc/51/92/57/384519257.db2.gz QDWFOHDMPOYCID-NSHDSACASA-N 1 0 210.346 2.308 10 30 BEEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000335846328 384527613 /nfs/dbraw/zinc/52/76/13/384527613.db2.gz ZXJRSHAOUNLDQD-YUMQZZPRSA-N 1 0 223.707 2.359 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379887902 384799391 /nfs/dbraw/zinc/79/93/91/384799391.db2.gz YLYRRXUOPQTLTM-QWHCGFSZSA-N 1 0 220.316 2.005 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379887900 384799418 /nfs/dbraw/zinc/79/94/18/384799418.db2.gz YLYRRXUOPQTLTM-CHWSQXEVSA-N 1 0 220.316 2.005 10 30 BEEERO C[NH+](C)[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000071397994 384874174 /nfs/dbraw/zinc/87/41/74/384874174.db2.gz ZNTBNTFMEWUBJE-GFCCVEGCSA-N 1 0 249.745 2.352 10 30 BEEERO C=C(C)[C@H]1c2cc(N)ccc2CC[N@H+]1C ZINC000038235400 384849728 /nfs/dbraw/zinc/84/97/28/384849728.db2.gz PDVBCMCLMMIEQI-ZDUSSCGKSA-N 1 0 202.301 2.374 10 30 BEEERO CSCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135486617 384904539 /nfs/dbraw/zinc/90/45/39/384904539.db2.gz SOAJTMXTJSESRV-UHFFFAOYSA-N 1 0 224.329 2.384 10 30 BEEERO CC[C@H]([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000068771305 385016428 /nfs/dbraw/zinc/01/64/28/385016428.db2.gz WTHKHJXZGVPGCG-NSHDSACASA-N 1 0 240.310 2.256 10 30 BEEERO COc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1C#N ZINC000234958092 385044965 /nfs/dbraw/zinc/04/49/65/385044965.db2.gz MJVZREXXNIRYRQ-SKDRFNHKSA-N 1 0 216.284 2.065 10 30 BEEERO CC(C)[N@@H+](Cc1ccc(C#N)s1)C[C@H](C)O ZINC000120024216 385153166 /nfs/dbraw/zinc/15/31/66/385153166.db2.gz DWMXNWCXSWKBKO-JTQLQIEISA-N 1 0 238.356 2.211 10 30 BEEERO Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(C)n1 ZINC000157411049 385168418 /nfs/dbraw/zinc/16/84/18/385168418.db2.gz NHNDHSXPDXKQGN-SNVBAGLBSA-N 1 0 246.358 2.322 10 30 BEEERO CCC[N@@H+]1CCc2c(C#N)csc2C1 ZINC000156713027 385171435 /nfs/dbraw/zinc/17/14/35/385171435.db2.gz HSHLNBDBJSNUGD-UHFFFAOYSA-N 1 0 206.314 2.388 10 30 BEEERO N#C[C@H](N)CC1=Cc2c(F)cccc2CC1 ZINC000238639252 385259092 /nfs/dbraw/zinc/25/90/92/385259092.db2.gz RNCAHUKHESQHTH-LLVKDONJSA-N 1 0 216.259 2.396 10 30 BEEERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000052288161 385273108 /nfs/dbraw/zinc/27/31/08/385273108.db2.gz GARGIXJHYVRCAK-PRHODGIISA-N 1 0 204.248 2.195 10 30 BEEERO CC(C)OC1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000309589066 385718200 /nfs/dbraw/zinc/71/82/00/385718200.db2.gz UBNRFNGYHGRJLY-YWPUVAFDSA-N 1 0 222.332 2.224 10 30 BEEERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000123369573 385742664 /nfs/dbraw/zinc/74/26/64/385742664.db2.gz PGJIFPNRUYIGHJ-AWEZNQCLSA-N 1 0 232.327 2.151 10 30 BEEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000309235963 386009969 /nfs/dbraw/zinc/00/99/69/386009969.db2.gz XMKWJGGCVKZZAJ-SCZZXKLOSA-N 1 0 221.329 2.293 10 30 BEEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000086500181 386162327 /nfs/dbraw/zinc/16/23/27/386162327.db2.gz ZVGGUYGSNWJKLH-SKDRFNHKSA-N 1 0 236.340 2.277 10 30 BEEERO COC(=O)c1[nH]c2ccccc2c1/[NH+]=C/N(C)C ZINC000100518278 386548256 /nfs/dbraw/zinc/54/82/56/386548256.db2.gz CDIZQFATVIVHGF-RIYZIHGNSA-N 1 0 245.282 2.176 10 30 BEEERO Cc1cc(C#N)cc(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000161740864 386986170 /nfs/dbraw/zinc/98/61/70/386986170.db2.gz ULOTYQQDUDWYFB-GFCCVEGCSA-N 1 0 244.342 2.063 10 30 BEEERO CCCCCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189275238 387277801 /nfs/dbraw/zinc/27/78/01/387277801.db2.gz CMGVNUBUYGLVRE-GFCCVEGCSA-N 1 0 226.364 2.167 10 30 BEEERO C[C@H](C[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000104205921 387485573 /nfs/dbraw/zinc/48/55/73/387485573.db2.gz IDKNYKCFFBJASO-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO C=CC[C@@H]([NH3+])c1ncsc1Br ZINC000575569606 387736178 /nfs/dbraw/zinc/73/61/78/387736178.db2.gz GTYNLZZGMCMWBY-RXMQYKEDSA-N 1 0 233.134 2.482 10 30 BEEERO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000128108333 387737787 /nfs/dbraw/zinc/73/77/87/387737787.db2.gz GQKIBHFRAGLTHU-NSHDSACASA-N 1 0 236.340 2.231 10 30 BEEERO C=C(C)[C@H]([NH3+])c1ncsc1Br ZINC000575570787 387740701 /nfs/dbraw/zinc/74/07/01/387740701.db2.gz OIKOCLGZNDUUEH-YFKPBYRVSA-N 1 0 233.134 2.482 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194112791 387873343 /nfs/dbraw/zinc/87/33/43/387873343.db2.gz ZHEBURBYVTUVBB-MGPQQGTHSA-N 1 0 233.355 2.337 10 30 BEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)CCC[NH3+])n1 ZINC000310349855 177838591 /nfs/dbraw/zinc/83/85/91/177838591.db2.gz PBCRFONFJUYBDG-JTQLQIEISA-N 1 0 232.331 2.109 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245967993 387997313 /nfs/dbraw/zinc/99/73/13/387997313.db2.gz ZHEBURBYVTUVBB-BFHYXJOUSA-N 1 0 233.355 2.337 10 30 BEEERO C=CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515949 388165533 /nfs/dbraw/zinc/16/55/33/388165533.db2.gz GGNDUPICOHFHTF-LBPRGKRZSA-N 1 0 217.316 2.001 10 30 BEEERO C[C@H](CC[NH3+])Nc1c(C#N)cnc2ccccc21 ZINC000311014072 388673348 /nfs/dbraw/zinc/67/33/48/388673348.db2.gz PRCIIJFEABWMEG-SNVBAGLBSA-N 1 0 240.310 2.256 10 30 BEEERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335161403 388828470 /nfs/dbraw/zinc/82/84/70/388828470.db2.gz DUKXIRMTAKYJJP-QPUJVOFHSA-N 1 0 204.248 2.195 10 30 BEEERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335161401 388828527 /nfs/dbraw/zinc/82/85/27/388828527.db2.gz DUKXIRMTAKYJJP-PELKAZGASA-N 1 0 204.248 2.195 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023446 533511975 /nfs/dbraw/zinc/51/19/75/533511975.db2.gz ZDGWHWVCPMEYDU-OLZOCXBDSA-N 1 0 209.333 2.190 10 30 BEEERO C[C@H]1CCCN(c2ccc(C#N)cc2F)[C@@H]1C[NH3+] ZINC000070178388 132230255 /nfs/dbraw/zinc/23/02/55/132230255.db2.gz IUWWAZHMDWHXRT-IINYFYTJSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH+](C)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000035239370 132268836 /nfs/dbraw/zinc/26/88/36/132268836.db2.gz FVZOSBUWRBNSIR-UHFFFAOYSA-N 1 0 229.327 2.089 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1ccccc1C#N ZINC000063169521 132389739 /nfs/dbraw/zinc/38/97/39/132389739.db2.gz LYTVRZCTUQFHHD-ZDUSSCGKSA-N 1 0 229.327 2.137 10 30 BEEERO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000113335574 134161405 /nfs/dbraw/zinc/16/14/05/134161405.db2.gz PAFGLHNWCMVBAC-SMDDNHRTSA-N 1 0 215.296 2.197 10 30 BEEERO C=C[C@@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000119368597 134226656 /nfs/dbraw/zinc/22/66/56/134226656.db2.gz CJKSRWVIWCOBEI-ZBFHGGJFSA-N 1 0 244.382 2.468 10 30 BEEERO C[C@@H]1C[C@H]([N@H+](C)CCCCC#N)CCN1C ZINC000123446610 134243743 /nfs/dbraw/zinc/24/37/43/134243743.db2.gz HEGUIZKTVNMQTJ-CHWSQXEVSA-N 1 0 223.364 2.095 10 30 BEEERO CCCCCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000309313683 134390909 /nfs/dbraw/zinc/39/09/09/134390909.db2.gz XYZJOHPHUDKIHI-QWHCGFSZSA-N 1 0 229.364 2.038 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000228203164 134407969 /nfs/dbraw/zinc/40/79/69/134407969.db2.gz KZIQCUJYFFJDAO-JHJVBQTASA-N 1 0 221.344 2.193 10 30 BEEERO C=CCC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CC1 ZINC000367619122 134597397 /nfs/dbraw/zinc/59/73/97/134597397.db2.gz BCAOIZJOVRGCLA-FQUUOJAGSA-N 1 0 221.344 2.213 10 30 BEEERO Cc1ccc(C#N)c(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000133645106 134686353 /nfs/dbraw/zinc/68/63/53/134686353.db2.gz XOLYYJRGSLGCNM-ZDUSSCGKSA-N 1 0 246.358 2.071 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)C1 ZINC000248994783 135029148 /nfs/dbraw/zinc/02/91/48/135029148.db2.gz OOWSUXAVAYPQAF-MBJXGIAVSA-N 1 0 234.343 2.226 10 30 BEEERO CC1(C)CN(c2ccc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000261585199 135226222 /nfs/dbraw/zinc/22/62/22/135226222.db2.gz SUIVBNHMIWTYOL-CYBMUJFWSA-N 1 0 247.317 2.261 10 30 BEEERO CC(C)NC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000261997511 135270598 /nfs/dbraw/zinc/27/05/98/135270598.db2.gz OHVLNOVQYGSLTA-UHFFFAOYSA-N 1 0 231.343 2.245 10 30 BEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CC[C@H]1C ZINC000262472886 135301325 /nfs/dbraw/zinc/30/13/25/135301325.db2.gz BMZJPIGJWLBAQE-PWSUYJOCSA-N 1 0 247.342 2.358 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@]1(CC)C(C)C ZINC000263122851 135334377 /nfs/dbraw/zinc/33/43/77/135334377.db2.gz MEHYCATYNVNSTE-DGCLKSJQSA-N 1 0 223.364 2.292 10 30 BEEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000086402031 135491019 /nfs/dbraw/zinc/49/10/19/135491019.db2.gz DYARIXDICGUEJV-DGCLKSJQSA-N 1 0 215.300 2.240 10 30 BEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335598891 136114068 /nfs/dbraw/zinc/11/40/68/136114068.db2.gz ZEWFLQFECATIQY-YGRLFVJLSA-N 1 0 248.301 2.043 10 30 BEEERO CC1(C)CO[C@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000602883541 398081917 /nfs/dbraw/zinc/08/19/17/398081917.db2.gz JANQUPRLJACSAD-RWMBFGLXSA-N 1 0 236.359 2.473 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000311062949 398057626 /nfs/dbraw/zinc/05/76/26/398057626.db2.gz KJGHUVORVWTYEC-VIFPVBQESA-N 1 0 248.286 2.006 10 30 BEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000245409080 398115499 /nfs/dbraw/zinc/11/54/99/398115499.db2.gz KIWUMJSOJMATSM-KGLIPLIRSA-N 1 0 249.402 2.485 10 30 BEEERO C#CCC[C@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000104358599 166151887 /nfs/dbraw/zinc/15/18/87/166151887.db2.gz WSEKRFLAWDODKF-HNNXBMFYSA-N 1 0 243.350 2.476 10 30 BEEERO C#CC[NH2+]C[C@H](C)Oc1ccccc1CC=C ZINC000053588971 166188890 /nfs/dbraw/zinc/18/88/90/166188890.db2.gz RHQCGULBNKLQMJ-ZDUSSCGKSA-N 1 0 229.323 2.405 10 30 BEEERO C#CCOc1cc(OCCC)ccc1C[C@@H](C)[NH3+] ZINC000037722180 166197793 /nfs/dbraw/zinc/19/77/93/166197793.db2.gz QXEYYTWJQQRSAS-GFCCVEGCSA-N 1 0 247.338 2.377 10 30 BEEERO C=CCCC[N@@H+](C)Cc1cc(OC)ccn1 ZINC000121072463 166233054 /nfs/dbraw/zinc/23/30/54/166233054.db2.gz SIVVCYWUFOINRJ-UHFFFAOYSA-N 1 0 220.316 2.488 10 30 BEEERO C=CCC[C@H](NC(=O)[C@H](C)[NH3+])c1ccccc1 ZINC000157799940 166301584 /nfs/dbraw/zinc/30/15/84/166301584.db2.gz HWWMQXLPIUHPDK-AAEUAGOBSA-N 1 0 232.327 2.157 10 30 BEEERO C=CCN(C(=O)[C@@H](C)C[NH2+]CC)C1CCCC1 ZINC000061237016 166311291 /nfs/dbraw/zinc/31/12/91/166311291.db2.gz SXTJKIBLPSZRDV-LBPRGKRZSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCN(CC=C)c1ccnc(C[NH2+]CC)c1 ZINC000051398963 166339666 /nfs/dbraw/zinc/33/96/66/166339666.db2.gz BBOGEPHAYUMUSF-UHFFFAOYSA-N 1 0 231.343 2.370 10 30 BEEERO C=CCN(Cc1ccc(C(C)C)cc1)C(=O)C[NH3+] ZINC000032102552 166346403 /nfs/dbraw/zinc/34/64/03/166346403.db2.gz UNGIACWRSZCXIW-UHFFFAOYSA-N 1 0 246.354 2.283 10 30 BEEERO C=CCN1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602104 166360481 /nfs/dbraw/zinc/36/04/81/166360481.db2.gz UOQAHSVSGRZAIT-YHWZYXNKSA-N 1 0 208.349 2.167 10 30 BEEERO C=CCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702766 166361559 /nfs/dbraw/zinc/36/15/59/166361559.db2.gz OOIXDXTWVCEUDI-CHWSQXEVSA-N 1 0 210.365 2.127 10 30 BEEERO CC(C)(C)CC[n+]1ccc(/C=N/O)cc1 ZINC000100312073 166576941 /nfs/dbraw/zinc/57/69/41/166576941.db2.gz MZCHPTKVTLUHJN-UHFFFAOYSA-O 1 0 207.297 2.218 10 30 BEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(C#N)n2)C1 ZINC000129817906 167030802 /nfs/dbraw/zinc/03/08/02/167030802.db2.gz XBDGILRKJYGXEO-YPMHNXCESA-N 1 0 244.342 2.094 10 30 BEEERO CC(C)[NH2+]C[C@H](O)CON=C(C(C)C)C(C)C ZINC000029338991 167115149 /nfs/dbraw/zinc/11/51/49/167115149.db2.gz XNJXFNHWGCKLLC-LBPRGKRZSA-N 1 0 244.379 2.030 10 30 BEEERO CC[NH+](CC)CCNc1ccccc1C#N ZINC000020076170 169781936 /nfs/dbraw/zinc/78/19/36/169781936.db2.gz XNBRXRNPOQCUKY-UHFFFAOYSA-N 1 0 217.316 2.312 10 30 BEEERO C=CC[C@@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000307143503 411206394 /nfs/dbraw/zinc/20/63/94/411206394.db2.gz FLQKNSUTDXSRBK-CQSZACIVSA-N 1 0 216.328 2.166 10 30 BEEERO CC1([NH2+]Cc2cccnc2C#N)CCCC1 ZINC000061658060 168064622 /nfs/dbraw/zinc/06/46/22/168064622.db2.gz KCURBIATBXAHQC-UHFFFAOYSA-N 1 0 215.300 2.376 10 30 BEEERO CC[N@@H+]1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616648318 411410760 /nfs/dbraw/zinc/41/07/60/411410760.db2.gz DXNKFVQWZNGAKW-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CCN(C[C@@H](C)C#N)C(=[NH2+])NC1CCCCC1 ZINC000052046094 169877558 /nfs/dbraw/zinc/87/75/58/169877558.db2.gz UETQCBQCDIGCKH-NSHDSACASA-N 1 0 236.363 2.325 10 30 BEEERO CCN([C@@H](CC#N)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071314085 169940997 /nfs/dbraw/zinc/94/09/97/169940997.db2.gz ICLMLAPDVOWWHZ-GJZGRUSLSA-N 1 0 243.354 2.325 10 30 BEEERO CC[C@@H](C[NH3+])CCC(=O)Nc1cccc(C#N)c1 ZINC000076629605 170822281 /nfs/dbraw/zinc/82/22/81/170822281.db2.gz AKTQLILUQGUNIL-LLVKDONJSA-N 1 0 245.326 2.262 10 30 BEEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CCO)C(C)C)C1 ZINC000042479180 171027812 /nfs/dbraw/zinc/02/78/12/171027812.db2.gz WUSOBENGHMIFGM-HZSPNIEDSA-N 1 0 238.375 2.408 10 30 BEEERO CC[C@H](/C(N)=N/O)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050347221 171218656 /nfs/dbraw/zinc/21/86/56/171218656.db2.gz MPTIHFYPTSFBRL-LLVKDONJSA-N 1 0 241.379 2.270 10 30 BEEERO CC[C@H](C)C(=O)Nc1ccc(C#CC[NH3+])cc1C ZINC000037551874 171254954 /nfs/dbraw/zinc/25/49/54/171254954.db2.gz LGFOPNQQRIHONJ-NSHDSACASA-N 1 0 244.338 2.290 10 30 BEEERO C[N@@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000075906576 173049176 /nfs/dbraw/zinc/04/91/76/173049176.db2.gz ABLLEDDJDSKRLM-LBPRGKRZSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@H]1COc1cccc(C#N)c1 ZINC000026377208 173055844 /nfs/dbraw/zinc/05/58/44/173055844.db2.gz QEAVZJBKMAPKIC-LBPRGKRZSA-N 1 0 216.284 2.031 10 30 BEEERO C[NH2+]C[C@H](C)Oc1ccc(C#N)c(Cl)c1 ZINC000061847573 173375876 /nfs/dbraw/zinc/37/58/76/173375876.db2.gz AEQSVDRCSSGOCD-QMMMGPOBSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]C[C@H](C)Oc1cccc(Cl)c1C#N ZINC000052908524 173376036 /nfs/dbraw/zinc/37/60/36/173376036.db2.gz ITSAODHIZOUBIR-QMMMGPOBSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]Cc1cc(OC)ccc1OCCCCC#N ZINC000049578196 173387541 /nfs/dbraw/zinc/38/75/41/173387541.db2.gz BRFZIRFGBNRCKH-UHFFFAOYSA-N 1 0 248.326 2.487 10 30 BEEERO COC1CC[NH+]([C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000037266317 174029599 /nfs/dbraw/zinc/02/95/99/174029599.db2.gz JSSQSKPKKKRTOC-DGCLKSJQSA-N 1 0 222.332 2.180 10 30 BEEERO COc1ccc(C[NH+]2CCC(=NO)CC2)cc1 ZINC000019513798 175098161 /nfs/dbraw/zinc/09/81/61/175098161.db2.gz FDHZYLFQAGFLJW-UHFFFAOYSA-N 1 0 234.299 2.121 10 30 BEEERO C[C@@H]([NH3+])[C@H](c1ccccc1)N(CCC#N)C1CC1 ZINC000042902512 175813882 /nfs/dbraw/zinc/81/38/82/175813882.db2.gz UEZAJSMPIIEVNQ-IUODEOHRSA-N 1 0 243.354 2.453 10 30 BEEERO C[C@@H]1CCC[N@H+](CC[C@@H](C#N)NC2CC2)[C@@H]1C ZINC000062438698 176098672 /nfs/dbraw/zinc/09/86/72/176098672.db2.gz MRRZRXJXBZKFTP-BZPMIXESSA-N 1 0 235.375 2.141 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615189 176109851 /nfs/dbraw/zinc/10/98/51/176109851.db2.gz BXOAGKBKLDDFHQ-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1F ZINC000335656471 176186024 /nfs/dbraw/zinc/18/60/24/176186024.db2.gz JHCJIABMNFLHRB-NOZJJQNGSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H](CC[NH3+])Nc1ccc(Cl)cc1C#N ZINC000308891248 176627940 /nfs/dbraw/zinc/62/79/40/176627940.db2.gz HNGRQTARGMOFDM-MRVPVSSYSA-N 1 0 223.707 2.361 10 30 BEEERO C[C@H](C[NH3+])CNc1cc(Cl)ccc1C#N ZINC000309010842 176658789 /nfs/dbraw/zinc/65/87/89/176658789.db2.gz WYRZOBQBRCIAKX-MRVPVSSYSA-N 1 0 223.707 2.218 10 30 BEEERO C[C@H](S)[C@H]1[NH2+]CCc2c(F)cccc21 ZINC000083665039 177026409 /nfs/dbraw/zinc/02/64/09/177026409.db2.gz LNJSLHHPXDFKOM-WRWORJQWSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CCCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049615742 177077014 /nfs/dbraw/zinc/07/70/14/177077014.db2.gz RWYJXEZSDMTRJM-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615231 177111226 /nfs/dbraw/zinc/11/12/26/177111226.db2.gz AZJQPGWUONDTHE-ZDUSSCGKSA-N 1 0 229.323 2.015 10 30 BEEERO C[C@H]1CCC[C@H]([N@H+](C)CCCC/C(N)=N\O)C1 ZINC000049580297 177134259 /nfs/dbraw/zinc/13/42/59/177134259.db2.gz FUHMTBWFMYQPQQ-RYUDHWBXSA-N 1 0 241.379 2.414 10 30 BEEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1F ZINC000335656473 177175266 /nfs/dbraw/zinc/17/52/66/177175266.db2.gz JHCJIABMNFLHRB-TVQRCGJNSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1CN(c2cccc(F)c2C#N)C[C@@H]1[NH+](C)C ZINC000123985991 177276941 /nfs/dbraw/zinc/27/69/41/177276941.db2.gz QDMWYYCVHAEEJP-HZMBPMFUSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000052288169 177350218 /nfs/dbraw/zinc/35/02/18/177350218.db2.gz JLDCZBSZSWDSIQ-UFBFGSQYSA-N 1 0 204.248 2.195 10 30 BEEERO Cc1cc(NCC2(C)CC[NH2+]CC2)cc(C#N)n1 ZINC000308238392 229224659 /nfs/dbraw/zinc/22/46/59/229224659.db2.gz IZJGDCVQGKRYQG-UHFFFAOYSA-N 1 0 244.342 2.063 10 30 BEEERO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308235683 229421386 /nfs/dbraw/zinc/42/13/86/229421386.db2.gz ATODNXWIXJYOAI-VXGBXAGGSA-N 1 0 244.342 2.062 10 30 BEEERO C=C(CC)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398833426 262771241 /nfs/dbraw/zinc/77/12/41/262771241.db2.gz IENFLZUKMFTUES-AVGNSLFASA-N 1 0 209.333 2.045 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595482475 487866621 /nfs/dbraw/zinc/86/66/21/487866621.db2.gz OMDJDPXJAKAVLH-WJTVCTBASA-N 1 0 204.317 2.314 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160260627 323064590 /nfs/dbraw/zinc/06/45/90/323064590.db2.gz OUGZOGRMRQABKF-STQMWFEESA-N 1 0 246.354 2.336 10 30 BEEERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCC(C)(C)C#N ZINC000399242538 323201196 /nfs/dbraw/zinc/20/11/96/323201196.db2.gz MQQWLYCJOHKTNZ-RYUDHWBXSA-N 1 0 224.348 2.162 10 30 BEEERO C=C(C)CN(CC)C(=O)[C@@H](CCC)[NH+](C)C ZINC000161523011 323540722 /nfs/dbraw/zinc/54/07/22/323540722.db2.gz HQLMVZJWPDDULZ-GFCCVEGCSA-N 1 0 226.364 2.141 10 30 BEEERO CC[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000133306288 325285221 /nfs/dbraw/zinc/28/52/21/325285221.db2.gz CYSRRCQMYGUZLF-UHFFFAOYSA-N 1 0 240.310 2.190 10 30 BEEERO C=CC1CCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000154897005 326171052 /nfs/dbraw/zinc/17/10/52/326171052.db2.gz GBDQIFFIGHYUDG-ZDUSSCGKSA-N 1 0 238.375 2.141 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000408464183 487556088 /nfs/dbraw/zinc/55/60/88/487556088.db2.gz FUVSRTKMIMBAMU-BFHYXJOUSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@@H]1CC[C@@]2(CCCN2CCCCC#N)C[NH2+]1 ZINC000757126911 582501436 /nfs/dbraw/zinc/50/14/36/582501436.db2.gz HRAXKEMVDBLFJM-KGLIPLIRSA-N 1 0 235.375 2.287 10 30 BEEERO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119489487 534616109 /nfs/dbraw/zinc/61/61/09/534616109.db2.gz CAUZQIFWZALYAM-CYBMUJFWSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCCCC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000176410632 534647160 /nfs/dbraw/zinc/64/71/60/534647160.db2.gz GFQZHIPWDCEIKP-ZDUSSCGKSA-N 1 0 238.375 2.285 10 30 BEEERO C=CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000175657738 534656243 /nfs/dbraw/zinc/65/62/43/534656243.db2.gz VALHMIWVDAQSOB-CHWSQXEVSA-N 1 0 236.359 2.038 10 30 BEEERO C=CCCC[C@H](C)NC(=O)[C@](C)([NH3+])CCC ZINC000262167478 534760510 /nfs/dbraw/zinc/76/05/10/534760510.db2.gz WGFIUHWAUDNKEJ-WCQYABFASA-N 1 0 226.364 2.365 10 30 BEEERO CC1(C)C[C@H](O)CC[N@H+](CC2(C#N)CCC2)C1 ZINC000336306748 534898306 /nfs/dbraw/zinc/89/83/06/534898306.db2.gz IHTVGGRHOZUSTL-GFCCVEGCSA-N 1 0 236.359 2.163 10 30 BEEERO CC(C)NC(=[NH2+])N[C@H]1C[C@@H]1C1CCCCC1 ZINC000262527555 535125438 /nfs/dbraw/zinc/12/54/38/535125438.db2.gz LVNXMQASPFZFIJ-NEPJUHHUSA-N 1 0 223.364 2.268 10 30 BEEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1CC1(C)C ZINC000263260629 535265460 /nfs/dbraw/zinc/26/54/60/535265460.db2.gz SKADVIAEKZUYBG-GHMZBOCLSA-N 1 0 225.380 2.385 10 30 BEEERO C[C@@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CCCCC#N ZINC000757132982 582509357 /nfs/dbraw/zinc/50/93/57/582509357.db2.gz SIFCUJMVFFMROK-KBPBESRZSA-N 1 0 235.375 2.287 10 30 BEEERO N#Cc1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000334996837 583599186 /nfs/dbraw/zinc/59/91/86/583599186.db2.gz WDQQCAVTOZCPGR-HNNXBMFYSA-N 1 0 241.338 2.138 10 30 BEEERO CCCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000104056335 587929668 /nfs/dbraw/zinc/92/96/68/587929668.db2.gz IHVSPBBXFANZQN-QWHCGFSZSA-N 1 0 240.391 2.461 10 30 BEEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000203013802 589208873 /nfs/dbraw/zinc/20/88/73/589208873.db2.gz LIADIOCANWDKCV-NWDGAFQWSA-N 1 0 231.343 2.245 10 30 BEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000300585889 592515886 /nfs/dbraw/zinc/51/58/86/592515886.db2.gz OKTBBCZZAWZLJV-QLFBSQMISA-N 1 0 244.338 2.370 10 30 BEEERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000313024283 634439090 /nfs/dbraw/zinc/43/90/90/634439090.db2.gz PCCHXKHTVSMOCX-UTUOFQBUSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000054825067 634561359 /nfs/dbraw/zinc/56/13/59/634561359.db2.gz JGGFDLRRNFQCFV-HZSPNIEDSA-N 1 0 230.311 2.002 10 30 BEEERO CCCCCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232926993 635519839 /nfs/dbraw/zinc/51/98/39/635519839.db2.gz BAILXZURXHWXMU-NWDGAFQWSA-N 1 0 226.364 2.153 10 30 BEEERO C#CCC[NH2+]Cc1ccccc1OC(F)F ZINC000069768022 631277668 /nfs/dbraw/zinc/27/76/68/631277668.db2.gz KAHJZWILUCHXJQ-UHFFFAOYSA-N 1 0 225.238 2.401 10 30 BEEERO C#CCCCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308364921 631306905 /nfs/dbraw/zinc/30/69/05/631306905.db2.gz KAUKXLJXRQMYEG-CHWSQXEVSA-N 1 0 221.344 2.337 10 30 BEEERO CCCCCCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310519638 632753105 /nfs/dbraw/zinc/75/31/05/632753105.db2.gz NGJUVYZLKUMJPT-KBPBESRZSA-N 1 0 243.391 2.429 10 30 BEEERO C#CCOCC[NH2+][C@@H](C)c1ccccc1C ZINC000309376635 632991263 /nfs/dbraw/zinc/99/12/63/632991263.db2.gz CSZFHFBRCDNIFD-ZDUSSCGKSA-N 1 0 217.312 2.295 10 30 BEEERO C#CCSCC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000309439623 633073427 /nfs/dbraw/zinc/07/34/27/633073427.db2.gz IDTPNBLWUIIQHI-IJLUTSLNSA-N 1 0 241.400 2.002 10 30 BEEERO C=CCC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000320285208 636203536 /nfs/dbraw/zinc/20/35/36/636203536.db2.gz OWPAYTSDCHLNST-CQSZACIVSA-N 1 0 219.328 2.146 10 30 BEEERO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1)NC1CCCC1 ZINC000203048592 636628285 /nfs/dbraw/zinc/62/82/85/636628285.db2.gz FKEZVVQLXDAJKP-UONOGXRCSA-N 1 0 243.354 2.389 10 30 BEEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000110258777 636817465 /nfs/dbraw/zinc/81/74/65/636817465.db2.gz YSACNHACWCGCMK-LLVKDONJSA-N 1 0 249.745 2.352 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000226609328 640778670 /nfs/dbraw/zinc/77/86/70/640778670.db2.gz JGGFDLRRNFQCFV-MELADBBJSA-N 1 0 230.311 2.002 10 30 BEEERO C#CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000228201143 640866910 /nfs/dbraw/zinc/86/69/10/640866910.db2.gz NCAXJDRJSPHXOP-UONOGXRCSA-N 1 0 221.344 2.027 10 30 BEEERO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000061891589 641004263 /nfs/dbraw/zinc/00/42/63/641004263.db2.gz PHGVDQAITQYFQP-GWCFXTLKSA-N 1 0 246.310 2.183 10 30 BEEERO CC(C)[C@@H]([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000232711402 641377626 /nfs/dbraw/zinc/37/76/26/641377626.db2.gz FRJDNTMDFUFIAV-LURJTMIESA-N 1 0 244.751 2.063 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313279669 642496740 /nfs/dbraw/zinc/49/67/40/642496740.db2.gz IAFFPVKBQRYOGH-UONOGXRCSA-N 1 0 236.359 2.475 10 30 BEEERO C#CCC[NH2+]Cc1cc(C)ccc1OC ZINC000069768042 642902996 /nfs/dbraw/zinc/90/29/96/642902996.db2.gz OWXFWSOBBIHAIW-UHFFFAOYSA-N 1 0 203.285 2.117 10 30 BEEERO C#CCC[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000069767885 642903106 /nfs/dbraw/zinc/90/31/06/642903106.db2.gz FKXQEBLHLUQVJE-UHFFFAOYSA-N 1 0 233.340 2.126 10 30 BEEERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000071409328 643144039 /nfs/dbraw/zinc/14/40/39/643144039.db2.gz QLVRCCOAUHGBFP-DGCLKSJQSA-N 1 0 230.311 2.483 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000087029125 644496065 /nfs/dbraw/zinc/49/60/65/644496065.db2.gz WWCMSRIKJRAMQS-OLZOCXBDSA-N 1 0 236.359 2.354 10 30 BEEERO COC1CC(C[NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000705490186 712131840 /nfs/dbraw/zinc/13/18/40/712131840.db2.gz PCUTYSKNEQUWQP-KPFVRQRISA-N 1 0 222.332 2.083 10 30 BEEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)OC1 ZINC000711378027 712296383 /nfs/dbraw/zinc/29/63/83/712296383.db2.gz OXHGFLNJBXEQLY-UPJWGTAASA-N 1 0 236.359 2.473 10 30 BEEERO COCC1CC([NH2+]CC(C)(C)CCC#N)C1 ZINC000713919251 712473504 /nfs/dbraw/zinc/47/35/04/712473504.db2.gz ZZQFBRJIUIARBT-UHFFFAOYSA-N 1 0 224.348 2.331 10 30 BEEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1CC[NH3+] ZINC000723914856 711544679 /nfs/dbraw/zinc/54/46/79/711544679.db2.gz HNCCXROMOHCTID-GHMZBOCLSA-N 1 0 247.317 2.118 10 30 BEEERO C#CC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000134787699 711558944 /nfs/dbraw/zinc/55/89/44/711558944.db2.gz OOMZOMCPOQUQTF-NSHDSACASA-N 1 0 203.285 2.287 10 30 BEEERO CCCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706721019 712153098 /nfs/dbraw/zinc/15/30/98/712153098.db2.gz HXUVGIGWJRZLAL-MJBXVCDLSA-N 1 0 243.391 2.475 10 30 BEEERO Cc1cc(N(C)CCCCCC[NH3+])c(C#N)cn1 ZINC000710818391 712257515 /nfs/dbraw/zinc/25/75/15/712257515.db2.gz IYBJVBBRVDZJLD-UHFFFAOYSA-N 1 0 246.358 2.217 10 30 BEEERO CCC1([NH3+])CCN(c2ccc(C#N)cc2F)CC1 ZINC000714752405 712497060 /nfs/dbraw/zinc/49/70/60/712497060.db2.gz HXAPVZQZOVMQJJ-UHFFFAOYSA-N 1 0 247.317 2.405 10 30 BEEERO CC#CC[C@H](CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000717832196 712682845 /nfs/dbraw/zinc/68/28/45/712682845.db2.gz WDTGXCOJBPDUTR-UKRRQHHQSA-N 1 0 229.323 2.038 10 30 BEEERO C=CCNC(=O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719273925 712802546 /nfs/dbraw/zinc/80/25/46/712802546.db2.gz CKTJKRJNCNULNM-LBPRGKRZSA-N 1 0 238.375 2.237 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380226005 712832887 /nfs/dbraw/zinc/83/28/87/712832887.db2.gz OFNRQECXYLWMSX-RWMBFGLXSA-N 1 0 220.316 2.351 10 30 BEEERO C=CCCC[C@@H](C)[NH2+]Cc1nccn1C ZINC000133577223 1167516922 /nfs/dbraw/zinc/51/69/22/1167516922.db2.gz MWZWVVCTENPWNP-LLVKDONJSA-N 1 0 207.321 2.255 10 30 BEEERO C=C(Cn1c(C)[nH+]c2c1CCCC2)C(=O)OCC ZINC000216806907 971671740 /nfs/dbraw/zinc/67/17/40/971671740.db2.gz IHLHVPMKPHWDNH-UHFFFAOYSA-N 1 0 248.326 2.190 10 30 BEEERO CC[N@H+](CCNCC#Cc1ccccc1)C1CC1 ZINC000218440654 972005687 /nfs/dbraw/zinc/00/56/87/972005687.db2.gz PQSQXEHZROPQEV-UHFFFAOYSA-N 1 0 242.366 2.112 10 30 BEEERO CCC(C=O)(CC)C[N@H+](CCO)C1CCCC1 ZINC000051178784 168311005 /nfs/dbraw/zinc/31/10/05/168311005.db2.gz BSSIXQLZBODUGU-UHFFFAOYSA-N 1 0 241.375 2.229 10 30 BEEERO C[C@H](C#N)CN(C)CC#Cc1ccccc1 ZINC000051814462 136209753 /nfs/dbraw/zinc/20/97/53/136209753.db2.gz IDMCCBIZVUYWOC-CYBMUJFWSA-N 1 0 212.296 2.130 10 30 BEEERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000300944190 349460385 /nfs/dbraw/zinc/46/03/85/349460385.db2.gz DVFHMRDZNWFPRH-VOAKCMCISA-N 1 0 222.332 2.083 10 30 BEEERO Cc1ccc(C#N)c(N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000051579529 178366047 /nfs/dbraw/zinc/36/60/47/178366047.db2.gz AQBDFNKFLROOBV-ZDUSSCGKSA-N 1 0 229.327 2.373 10 30 BEEERO Cc1ccc(C#N)cc1N[C@H]1CCC[NH2+]C1 ZINC000050430058 178367438 /nfs/dbraw/zinc/36/74/38/178367438.db2.gz YOEHXTNRXAQGQX-LBPRGKRZSA-N 1 0 215.300 2.031 10 30 BEEERO CC[N@@H+]1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616613058 349604361 /nfs/dbraw/zinc/60/43/61/349604361.db2.gz JYRWXOBKJFAKME-CYBMUJFWSA-N 1 0 200.285 2.367 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)cc1 ZINC000320625094 342734504 /nfs/dbraw/zinc/73/45/04/342734504.db2.gz AMKGXVSOYFXDMQ-VHSXEESVSA-N 1 0 203.289 2.096 10 30 BEEERO CC[NH+](CC)CC#Cc1cccc(OC)c1 ZINC000035874592 342762513 /nfs/dbraw/zinc/76/25/13/342762513.db2.gz MVHBNBMCUAGZPA-UHFFFAOYSA-N 1 0 217.312 2.389 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042443908 362000155 /nfs/dbraw/zinc/00/01/55/362000155.db2.gz WTUGAHVROXHXTN-MNOVXSKESA-N 1 0 210.346 2.118 10 30 BEEERO C#C[C@H](Cc1ccccc1)[NH2+]CC(C)C ZINC000308924330 342877118 /nfs/dbraw/zinc/87/71/18/342877118.db2.gz CXDSKIIWABINJH-CQSZACIVSA-N 1 0 201.313 2.477 10 30 BEEERO C#C[C@H]([NH3+])c1c(F)cccc1Br ZINC000165151751 342878175 /nfs/dbraw/zinc/87/81/75/342878175.db2.gz ZYILIXRWHKKURH-QMMMGPOBSA-N 1 0 228.064 2.221 10 30 BEEERO CCOC1CC([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000233749190 342880588 /nfs/dbraw/zinc/88/05/88/342880588.db2.gz LFUPHLUFXHTAFP-IKWCTNDRSA-N 1 0 222.332 2.226 10 30 BEEERO CCOC1CC([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000233752380 342881020 /nfs/dbraw/zinc/88/10/20/342881020.db2.gz LFUPHLUFXHTAFP-XVSSEFHLSA-N 1 0 222.332 2.226 10 30 BEEERO C#CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000045945778 343013332 /nfs/dbraw/zinc/01/33/32/343013332.db2.gz AUCANFRPHLLYNX-UHFFFAOYSA-N 1 0 217.312 2.444 10 30 BEEERO Cc1c(F)cccc1NC1=NCCS1 ZINC000043321515 343051343 /nfs/dbraw/zinc/05/13/43/343051343.db2.gz SUFACCICNPSSOR-UHFFFAOYSA-N 1 0 210.277 2.458 10 30 BEEERO C[C@H](C#N)Oc1ccc(Cl)cc1C[NH3+] ZINC000043513362 343116540 /nfs/dbraw/zinc/11/65/40/343116540.db2.gz OOTRRAJOMRHPBF-SSDOTTSWSA-N 1 0 210.664 2.090 10 30 BEEERO COc1ccc(SC)c2c1C[C@](N)(C#N)CC2 ZINC000038919293 343380363 /nfs/dbraw/zinc/38/03/63/343380363.db2.gz CDAKNABRRDMOJJ-ZDUSSCGKSA-N 1 0 248.351 2.127 10 30 BEEERO CN1CCC(C#N)(c2ccccc2F)CC1 ZINC000039275870 343387584 /nfs/dbraw/zinc/38/75/84/343387584.db2.gz OGPMTUJQOQGMNL-UHFFFAOYSA-N 1 0 218.275 2.313 10 30 BEEERO C=C(C)C[NH+]1CCC(c2nncn2CC)CC1 ZINC000105928739 136363910 /nfs/dbraw/zinc/36/39/10/136363910.db2.gz GDGIMKLSZRIBJJ-UHFFFAOYSA-N 1 0 234.347 2.054 10 30 BEEERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC000111394627 136364316 /nfs/dbraw/zinc/36/43/16/136364316.db2.gz XPQHTICICGWHJJ-XYPWUTKMSA-N 1 0 241.334 2.026 10 30 BEEERO CCCCOCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054826132 136372979 /nfs/dbraw/zinc/37/29/79/136372979.db2.gz HRSFBRWCLBQCTI-RYUDHWBXSA-N 1 0 210.321 2.085 10 30 BEEERO CC(C)CCOCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054828257 136373259 /nfs/dbraw/zinc/37/32/59/136373259.db2.gz PQJWYVCFYSXOEA-STQMWFEESA-N 1 0 224.348 2.331 10 30 BEEERO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCO1 ZINC000083638132 343493629 /nfs/dbraw/zinc/49/36/29/343493629.db2.gz HBGOFEXLBJXPJR-GHMZBOCLSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000083638130 343493630 /nfs/dbraw/zinc/49/36/30/343493630.db2.gz HBGOFEXLBJXPJR-MNOVXSKESA-N 1 0 210.321 2.083 10 30 BEEERO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000602929939 349821381 /nfs/dbraw/zinc/82/13/81/349821381.db2.gz ADBCTENJATVPLY-IUODEOHRSA-N 1 0 244.338 2.098 10 30 BEEERO O=CC1(C[N@@H+]2CCCSCC2)CCCC1 ZINC000051204711 343623832 /nfs/dbraw/zinc/62/38/32/343623832.db2.gz AJLDHHGQPAEOTD-UHFFFAOYSA-N 1 0 227.373 2.185 10 30 BEEERO C#CCC[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000306779396 343881033 /nfs/dbraw/zinc/88/10/33/343881033.db2.gz WBUYZKFKFKOLHK-CQSZACIVSA-N 1 0 230.355 2.120 10 30 BEEERO [NH3+]CC#Cc1ccc(C(F)(F)F)s1 ZINC000307333664 343927447 /nfs/dbraw/zinc/92/74/47/343927447.db2.gz QHIPHXRIXLJZTM-UHFFFAOYSA-N 1 0 205.204 2.077 10 30 BEEERO [NH3+]CC#Cc1c(Cl)cccc1Br ZINC000307446666 343933719 /nfs/dbraw/zinc/93/37/19/343933719.db2.gz WTFVAPKGNDRDPG-UHFFFAOYSA-N 1 0 244.519 2.413 10 30 BEEERO C=C(CC)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000313485614 344080025 /nfs/dbraw/zinc/08/00/25/344080025.db2.gz SLZDDHGROJWHPD-CHWSQXEVSA-N 1 0 208.349 2.121 10 30 BEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114473387 344151125 /nfs/dbraw/zinc/15/11/25/344151125.db2.gz UOSSVNLYUSSWKJ-GFCCVEGCSA-N 1 0 238.375 2.211 10 30 BEEERO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCO1 ZINC000119794707 344549569 /nfs/dbraw/zinc/54/95/69/344549569.db2.gz ZZXAUPCIAASPKU-OLZOCXBDSA-N 1 0 234.299 2.198 10 30 BEEERO C=C(Br)C[NH2+][C@@H]1CCS[C@H]1C ZINC000220694256 344568603 /nfs/dbraw/zinc/56/86/03/344568603.db2.gz JHUPTHAMOLLNNW-JGVFFNPUSA-N 1 0 236.178 2.379 10 30 BEEERO C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000408242737 344878717 /nfs/dbraw/zinc/87/87/17/344878717.db2.gz XTUTWYHDDMJGGB-XDQVBPFNSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCOCC1 ZINC000235521763 344931788 /nfs/dbraw/zinc/93/17/88/344931788.db2.gz CTYYFOBVUSEWTJ-YUTCNCBUSA-N 1 0 236.359 2.473 10 30 BEEERO C=C(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248064048 345029050 /nfs/dbraw/zinc/02/90/50/345029050.db2.gz ZDGWHWVCPMEYDU-STQMWFEESA-N 1 0 209.333 2.190 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000306235819 345129982 /nfs/dbraw/zinc/12/99/82/345129982.db2.gz OOSSLYFQBVYVAD-DBIOUOCHSA-N 1 0 210.346 2.020 10 30 BEEERO N#Cc1cccc(C(F)(F)F)c1C[NH3+] ZINC000307274319 345358527 /nfs/dbraw/zinc/35/85/27/345358527.db2.gz MPMSWZHFQAAIAH-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO Cc1ccc([C@H](C#N)NCCC[NH+](C)C)cc1 ZINC000019988079 178881974 /nfs/dbraw/zinc/88/19/74/178881974.db2.gz FDKJRTOJNXJDFJ-AWEZNQCLSA-N 1 0 231.343 2.101 10 30 BEEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000300379925 345805015 /nfs/dbraw/zinc/80/50/15/345805015.db2.gz MCTPMZLHHMLRSU-RVMXOQNASA-N 1 0 222.332 2.083 10 30 BEEERO C[C@H]([NH3+])C#Cc1cc(Br)ccc1F ZINC000167002077 346178999 /nfs/dbraw/zinc/17/89/99/346178999.db2.gz XRUBBPWSPZJCRC-ZETCQYMHSA-N 1 0 242.091 2.287 10 30 BEEERO C#Cc1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000020440217 187370753 /nfs/dbraw/zinc/37/07/53/187370753.db2.gz IDQRZZSATNAREU-HNNXBMFYSA-N 1 0 226.323 2.174 10 30 BEEERO C#Cc1cccc(NCC[NH+](CC)CC)c1 ZINC000020034394 187370848 /nfs/dbraw/zinc/37/08/48/187370848.db2.gz PLVFHFYBDPXYSQ-UHFFFAOYSA-N 1 0 216.328 2.422 10 30 BEEERO N#CCCCCN1CCC([NH+]2CCCC2)CC1 ZINC000309983435 347211312 /nfs/dbraw/zinc/21/13/12/347211312.db2.gz YIQLVPDLCWSKEN-UHFFFAOYSA-N 1 0 235.375 2.240 10 30 BEEERO N#Cc1cc(F)ccc1N1CCC(CC[NH3+])CC1 ZINC000070188713 349975682 /nfs/dbraw/zinc/97/56/82/349975682.db2.gz KEYRCTLERNVRKS-UHFFFAOYSA-N 1 0 247.317 2.263 10 30 BEEERO CCCCCCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000310519640 347291020 /nfs/dbraw/zinc/29/10/20/347291020.db2.gz NGJUVYZLKUMJPT-UONOGXRCSA-N 1 0 243.391 2.429 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250534085 362808487 /nfs/dbraw/zinc/80/84/87/362808487.db2.gz WJLBOLQHFITKIY-VXGBXAGGSA-N 1 0 207.317 2.396 10 30 BEEERO CC(C)(C)OCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000590959122 347594678 /nfs/dbraw/zinc/59/46/78/347594678.db2.gz GELJPAXXQFVXEG-RYUDHWBXSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263284501 535064797 /nfs/dbraw/zinc/06/47/97/535064797.db2.gz TXOCGKKFLBMGRN-LLVKDONJSA-N 1 0 223.364 2.270 10 30 BEEERO CCSCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000308540387 347822629 /nfs/dbraw/zinc/82/26/29/347822629.db2.gz NSCFCMUEYNBSDZ-QWRGUYRKSA-N 1 0 212.362 2.411 10 30 BEEERO Cc1cc(NCCC2CC[NH2+]CC2)cc(C#N)n1 ZINC000593233866 347873050 /nfs/dbraw/zinc/87/30/50/347873050.db2.gz YORRMBZWVPOKMD-UHFFFAOYSA-N 1 0 244.342 2.063 10 30 BEEERO N#Cc1c(F)cccc1NCCC1CC[NH2+]CC1 ZINC000593233245 347873378 /nfs/dbraw/zinc/87/33/78/347873378.db2.gz MXZYPAGNCPKDKX-UHFFFAOYSA-N 1 0 247.317 2.499 10 30 BEEERO N#Cc1ccc(NCC2([NH3+])CCCC2)c(F)c1 ZINC000594692006 348099925 /nfs/dbraw/zinc/09/99/25/348099925.db2.gz JHTZWKVNZDOVKL-UHFFFAOYSA-N 1 0 233.290 2.381 10 30 BEEERO C=C(C)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616571545 348199551 /nfs/dbraw/zinc/19/95/51/348199551.db2.gz LTKPHLCAPJXNOK-NSHDSACASA-N 1 0 230.311 2.042 10 30 BEEERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000595481359 348252100 /nfs/dbraw/zinc/25/21/00/348252100.db2.gz GESPKOKIAMKSIK-BFHYXJOUSA-N 1 0 236.359 2.473 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000595689247 348314709 /nfs/dbraw/zinc/31/47/09/348314709.db2.gz KSRQRLMVSBBSEE-AAEUAGOBSA-N 1 0 222.332 2.227 10 30 BEEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000596031676 348426665 /nfs/dbraw/zinc/42/66/65/348426665.db2.gz DFJCUYFUSJLCIR-QMMMGPOBSA-N 1 0 223.707 2.231 10 30 BEEERO Cc1nc(N[C@H](C)CC[NH3+])c(Cl)cc1C#N ZINC000336675390 180024210 /nfs/dbraw/zinc/02/42/10/180024210.db2.gz VGEUZGPFCRPFKP-SSDOTTSWSA-N 1 0 238.722 2.064 10 30 BEEERO C[C@@H](CC[NH2+]CC(C)(C)CCC#N)[S@@](C)=O ZINC000132573591 191034509 /nfs/dbraw/zinc/03/45/09/191034509.db2.gz SANVCURCVMRJHG-ZBEGNZNMSA-N 1 0 244.404 2.063 10 30 BEEERO N#Cc1ccccc1COC[C@@H]1CCC[NH2+]C1 ZINC000051815380 350136361 /nfs/dbraw/zinc/13/63/61/350136361.db2.gz PTYAUJCITZDBQM-GFCCVEGCSA-N 1 0 230.311 2.074 10 30 BEEERO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000083640845 350265031 /nfs/dbraw/zinc/26/50/31/350265031.db2.gz RZJWUGDMAWVHQI-NEPJUHHUSA-N 1 0 224.348 2.473 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000324539911 350307231 /nfs/dbraw/zinc/30/72/31/350307231.db2.gz RMXODFOBJYQBBD-SDDRHHMPSA-N 1 0 224.348 2.065 10 30 BEEERO C[C@H](C[C@H](C)[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000320024849 350473881 /nfs/dbraw/zinc/47/38/81/350473881.db2.gz KJPJXBVRTIDBRF-DTWKUNHWSA-N 1 0 248.286 2.004 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000063100004 350572063 /nfs/dbraw/zinc/57/20/63/350572063.db2.gz OYKFOGRXNMGLJS-JGVFFNPUSA-N 1 0 206.211 2.221 10 30 BEEERO CC[N@@H+]1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616597124 350640097 /nfs/dbraw/zinc/64/00/97/350640097.db2.gz BCBYWUGSMFTLRZ-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616598568 350676184 /nfs/dbraw/zinc/67/61/84/350676184.db2.gz DXNKFVQWZNGAKW-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO CC[N@@H+]1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616598831 350687327 /nfs/dbraw/zinc/68/73/27/350687327.db2.gz SNOWIBQYIHNNIL-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000213355628 362981842 /nfs/dbraw/zinc/98/18/42/362981842.db2.gz RYUGNSNXNPVSIT-MFKMUULPSA-N 1 0 247.729 2.010 10 30 BEEERO N#Cc1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000616605293 350794104 /nfs/dbraw/zinc/79/41/04/350794104.db2.gz MINHNXGGLZVNNT-ZDUSSCGKSA-N 1 0 200.285 2.415 10 30 BEEERO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336680659 350902691 /nfs/dbraw/zinc/90/26/91/350902691.db2.gz OHKXQIUHWNUIFF-RWMBFGLXSA-N 1 0 229.339 2.289 10 30 BEEERO CC1(/C(N)=N/O)CC[NH+](Cc2ccccc2)CC1 ZINC000226330224 351007862 /nfs/dbraw/zinc/00/78/62/351007862.db2.gz BCGQJGZKIDDAJY-UHFFFAOYSA-N 1 0 247.342 2.035 10 30 BEEERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000397974581 350995758 /nfs/dbraw/zinc/99/57/58/350995758.db2.gz OHIBDLQJRGQWAR-KXNHARMFSA-N 1 0 224.373 2.410 10 30 BEEERO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000086500213 351166208 /nfs/dbraw/zinc/16/62/08/351166208.db2.gz BLHMKXIFNQDDGU-MNOVXSKESA-N 1 0 236.340 2.013 10 30 BEEERO CC[N@@H+]1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616648792 351177060 /nfs/dbraw/zinc/17/70/60/351177060.db2.gz CGKWNVABHAQYJK-AWEZNQCLSA-N 1 0 230.311 2.342 10 30 BEEERO CC[N@@H+]1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653318 351185965 /nfs/dbraw/zinc/18/59/65/351185965.db2.gz LPNMARZKXQGLLL-CQSZACIVSA-N 1 0 230.311 2.342 10 30 BEEERO CN/C(=[NH+]\C)SC/C(Cl)=C/Cl ZINC000306896687 351308583 /nfs/dbraw/zinc/30/85/83/351308583.db2.gz QKEQOIRXEFXMPC-HYXAFXHYSA-N 1 0 213.133 2.244 10 30 BEEERO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000276274860 351613993 /nfs/dbraw/zinc/61/39/93/351613993.db2.gz DQNCYJYWGBHIBE-DGCLKSJQSA-N 1 0 232.331 2.249 10 30 BEEERO Clc1ccc(C#C[C@H]2CC[NH2+]C2)s1 ZINC000404645453 351723741 /nfs/dbraw/zinc/72/37/41/351723741.db2.gz NXFYRBTXKXXRRJ-QMMMGPOBSA-N 1 0 211.717 2.363 10 30 BEEERO C=CCOc1ccc(C[NH2+]CCCOC)cc1 ZINC000013718005 187538296 /nfs/dbraw/zinc/53/82/96/187538296.db2.gz UTULEKSKKOOXEI-UHFFFAOYSA-N 1 0 235.327 2.378 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638454263 352267539 /nfs/dbraw/zinc/26/75/39/352267539.db2.gz FSCSNLRFFLOTOY-NEPJUHHUSA-N 1 0 238.375 2.080 10 30 BEEERO N#Cc1cccc(C[NH3+])c1C(F)(F)F ZINC000307411563 352589318 /nfs/dbraw/zinc/58/93/18/352589318.db2.gz HSMOUFZJAJZMFJ-UHFFFAOYSA-N 1 0 200.163 2.036 10 30 BEEERO C/[NH+]=C(\COc1c(C)cccc1C)N(C)C ZINC000039110228 187773866 /nfs/dbraw/zinc/77/38/66/187773866.db2.gz NJHIDHIAFUPZFI-WYMLVPIESA-N 1 0 220.316 2.272 10 30 BEEERO CC#CCCON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000013780861 187819015 /nfs/dbraw/zinc/81/90/15/187819015.db2.gz YELNTEFGUNYOQG-BETUJISGSA-N 1 0 220.316 2.029 10 30 BEEERO C[NH+]=CNc1cccc(-c2c[nH]cn2)c1 ZINC000027214957 188109935 /nfs/dbraw/zinc/10/99/35/188109935.db2.gz ZAEYSAWLARNQTE-UHFFFAOYSA-N 1 0 200.245 2.147 10 30 BEEERO N#CCCCC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032882 188116908 /nfs/dbraw/zinc/11/69/08/188116908.db2.gz WSIFKDLJVSVSIR-UHFFFAOYSA-N 1 0 229.327 2.321 10 30 BEEERO Cc1ccccc1[C@@H](C[NH3+])N(CCC#N)C1CC1 ZINC000043037262 188121940 /nfs/dbraw/zinc/12/19/40/188121940.db2.gz CWJXXMSYZNUIBO-OAHLLOKOSA-N 1 0 243.354 2.373 10 30 BEEERO Cc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H](C)C#N ZINC000043037061 188121946 /nfs/dbraw/zinc/12/19/46/188121946.db2.gz GSXLBGRHGJDSIO-SMDDNHRTSA-N 1 0 231.343 2.086 10 30 BEEERO CC(C)N(CCC#N)[C@H](C[NH3+])c1ccccc1 ZINC000042899486 188122189 /nfs/dbraw/zinc/12/21/89/188122189.db2.gz XGXGPMWBPMUJQX-CQSZACIVSA-N 1 0 231.343 2.310 10 30 BEEERO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1C#N ZINC000083730051 188142904 /nfs/dbraw/zinc/14/29/04/188142904.db2.gz LNRPAWRBUSMPNH-JOYOIKCWSA-N 1 0 216.284 2.065 10 30 BEEERO C[C@@H]([NH3+])c1ccccc1N(C)CCC#N ZINC000019872588 188173893 /nfs/dbraw/zinc/17/38/93/188173893.db2.gz OTKASUJQGMNYSM-SNVBAGLBSA-N 1 0 203.289 2.056 10 30 BEEERO CC#CC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160056111 353252843 /nfs/dbraw/zinc/25/28/43/353252843.db2.gz PJAUJJZJHJSFSO-UHFFFAOYSA-N 1 0 231.343 2.106 10 30 BEEERO C=CCC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063127616 188223608 /nfs/dbraw/zinc/22/36/08/188223608.db2.gz QEDIPBFHQJAPIK-LLVKDONJSA-N 1 0 230.311 2.042 10 30 BEEERO C=CCn1c(N)c([C@@H]2CCCOC2)[nH+]c1CCC ZINC000104319765 188225092 /nfs/dbraw/zinc/22/50/92/188225092.db2.gz XQUAAQKVUSDNQY-LLVKDONJSA-N 1 0 249.358 2.498 10 30 BEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000252694265 353303692 /nfs/dbraw/zinc/30/36/92/353303692.db2.gz ZLWFFQIGVYOLMX-KGLIPLIRSA-N 1 0 249.402 2.485 10 30 BEEERO C=CCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000133045419 353396808 /nfs/dbraw/zinc/39/68/08/353396808.db2.gz MLIQGPRPPUHFOB-AWEZNQCLSA-N 1 0 244.338 2.300 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000135192316 353541056 /nfs/dbraw/zinc/54/10/56/353541056.db2.gz CGAIHDJQQCENPQ-STQMWFEESA-N 1 0 238.375 2.457 10 30 BEEERO CC(C)[NH+](CCN[C@@H]1CCC[C@H]1C#N)C(C)C ZINC000054823017 188484548 /nfs/dbraw/zinc/48/45/48/188484548.db2.gz URVPWPALOIWBFY-UONOGXRCSA-N 1 0 237.391 2.387 10 30 BEEERO Fc1cccc2c1CC[NH2+][C@H]2CCS ZINC000083665052 181004821 /nfs/dbraw/zinc/00/48/21/181004821.db2.gz LVNUDWKIQBWMJA-NSHDSACASA-N 1 0 211.305 2.332 10 30 BEEERO N#CCCCC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000049578453 188481696 /nfs/dbraw/zinc/48/16/96/188481696.db2.gz RHVQNDIRVOKNNL-CYBMUJFWSA-N 1 0 230.311 2.274 10 30 BEEERO N#CCCC[NH2+][C@H]1CCOc2ccccc21 ZINC000049855904 181036596 /nfs/dbraw/zinc/03/65/96/181036596.db2.gz PMYOKHHTOPEXTP-LBPRGKRZSA-N 1 0 216.284 2.404 10 30 BEEERO N#CC[C@H](c1ccccc1)N1CCC([NH3+])CC1 ZINC000055019622 181046156 /nfs/dbraw/zinc/04/61/56/181046156.db2.gz FOWMZMWQQPQNHI-CQSZACIVSA-N 1 0 229.327 2.064 10 30 BEEERO N#C[C@@H](c1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000037940459 181057030 /nfs/dbraw/zinc/05/70/30/181057030.db2.gz DYRNFDJIEYDYGO-ZDUSSCGKSA-N 1 0 249.745 2.200 10 30 BEEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000054825379 181067842 /nfs/dbraw/zinc/06/78/42/181067842.db2.gz JQEIVZYFWNVVOT-YPMHNXCESA-N 1 0 222.332 2.227 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[N@H+](CCO)C1CCCC1 ZINC000042505876 181069200 /nfs/dbraw/zinc/06/92/00/181069200.db2.gz QOZSGJYBAPYAGX-TZMCWYRMSA-N 1 0 236.359 2.306 10 30 BEEERO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211066 181076022 /nfs/dbraw/zinc/07/60/22/181076022.db2.gz PNFDGLYVQIJUCV-VHSXEESVSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1cc(F)ccc1OC1CCC([NH3+])CC1 ZINC000104232114 181088521 /nfs/dbraw/zinc/08/85/21/181088521.db2.gz SHPCVXBMBDLJEN-UHFFFAOYSA-N 1 0 234.274 2.346 10 30 BEEERO N#Cc1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000052859340 181086723 /nfs/dbraw/zinc/08/67/23/181086723.db2.gz QWRYSXWYAHOJPR-UHFFFAOYSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1cc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1F ZINC000054628400 181090518 /nfs/dbraw/zinc/09/05/18/181090518.db2.gz IYAYXISTQCWVAZ-VGPLMAKISA-N 1 0 245.301 2.156 10 30 BEEERO CC#CC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000121813701 358486029 /nfs/dbraw/zinc/48/60/29/358486029.db2.gz WNVIEOSQDMDPTD-UHFFFAOYSA-N 1 0 244.338 2.257 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)cc1 ZINC000037749017 181110294 /nfs/dbraw/zinc/11/02/94/181110294.db2.gz IYDNHHLGFSNONB-LSDHHAIUSA-N 1 0 244.338 2.341 10 30 BEEERO N#Cc1ccc(NC2CC([NH3+])C2)c(Cl)c1 ZINC000062791283 181119411 /nfs/dbraw/zinc/11/94/11/181119411.db2.gz VWUGGYQEOSJRJG-UHFFFAOYSA-N 1 0 221.691 2.113 10 30 BEEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000335583118 181125445 /nfs/dbraw/zinc/12/54/45/181125445.db2.gz VGTWRPHTZKYYIV-GXSJLCMTSA-N 1 0 233.290 2.237 10 30 BEEERO N#Cc1ccccc1C[NH2+]CCc1ccco1 ZINC000037979054 181144852 /nfs/dbraw/zinc/14/48/52/181144852.db2.gz MMPHTNZXVZGMTB-UHFFFAOYSA-N 1 0 226.279 2.484 10 30 BEEERO CCCC[C@H](C[NH3+])Nc1nc(C)ccc1C#N ZINC000130585412 363402399 /nfs/dbraw/zinc/40/23/99/363402399.db2.gz KBVHYYFMZDOARJ-GFCCVEGCSA-N 1 0 232.331 2.191 10 30 BEEERO N#Cc1ncccc1C[NH2+]CC1CCCC1 ZINC000061657349 181170765 /nfs/dbraw/zinc/17/07/65/181170765.db2.gz ZZIURHJPBRTDEJ-UHFFFAOYSA-N 1 0 215.300 2.233 10 30 BEEERO N/C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)=N\O ZINC000055020829 181183794 /nfs/dbraw/zinc/18/37/94/181183794.db2.gz VWOZJVIHIBGKEY-ZDUSSCGKSA-N 1 0 247.342 2.350 10 30 BEEERO Nc1ccccc1C(=[NH2+])Nc1ccccc1 ZINC000005582953 181182626 /nfs/dbraw/zinc/18/26/26/181182626.db2.gz PUIHDSWBMBOMPS-UHFFFAOYSA-N 1 0 211.268 2.306 10 30 BEEERO C=CCCC[C@@H](C[NH2+]C)NC(=O)OC(C)(C)C ZINC000675051357 538474464 /nfs/dbraw/zinc/47/44/64/538474464.db2.gz QWCZLJPIJIMQMZ-NSHDSACASA-N 1 0 242.363 2.455 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2nn(C)cc2CC#N)[C@@H]1C ZINC000675056564 538478934 /nfs/dbraw/zinc/47/89/34/538478934.db2.gz RVYBEQNCAXEYIQ-VXGBXAGGSA-N 1 0 246.358 2.107 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@H](C)O1 ZINC000384984217 356834983 /nfs/dbraw/zinc/83/49/83/356834983.db2.gz URBONONACCEKSW-MLGHIDQZSA-N 1 0 222.332 2.224 10 30 BEEERO CCCCCCCCCC(=O)NCC[NH2+]C ZINC000114576655 134186642 /nfs/dbraw/zinc/18/66/42/134186642.db2.gz ADEAYPZFUYAVEJ-UHFFFAOYSA-N 1 0 228.380 2.463 10 30 BEEERO N#CCC1(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000160623526 357139755 /nfs/dbraw/zinc/13/97/55/357139755.db2.gz RIXRMAHQWJLROV-DZGCQCFKSA-N 1 0 248.370 2.307 10 30 BEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)o1 ZINC000123396333 357225147 /nfs/dbraw/zinc/22/51/47/357225147.db2.gz RKMMZHYXVMARPP-LBPRGKRZSA-N 1 0 247.342 2.067 10 30 BEEERO C=CCN(C)[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595450 358253223 /nfs/dbraw/zinc/25/32/23/358253223.db2.gz VYNCNGNANFHEIP-ZDUSSCGKSA-N 1 0 249.310 2.027 10 30 BEEERO N/C(=N\O)[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000301809766 358436391 /nfs/dbraw/zinc/43/63/91/358436391.db2.gz LSPWHIOCMUWMMR-GFCCVEGCSA-N 1 0 239.363 2.168 10 30 BEEERO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000127145028 358560849 /nfs/dbraw/zinc/56/08/49/358560849.db2.gz VCTHPIUWQSCGSY-VXGBXAGGSA-N 1 0 224.348 2.067 10 30 BEEERO N#CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124984152 358530439 /nfs/dbraw/zinc/53/04/39/358530439.db2.gz GBUXUQISZYDGTD-MJBXVCDLSA-N 1 0 236.359 2.306 10 30 BEEERO C#CC[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000132199607 358710439 /nfs/dbraw/zinc/71/04/39/358710439.db2.gz BRFICHKWKUMQDF-CYBMUJFWSA-N 1 0 243.354 2.052 10 30 BEEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)C(C)C ZINC000134698967 358802259 /nfs/dbraw/zinc/80/22/59/358802259.db2.gz WCUUTYUUAQAEQY-CQSZACIVSA-N 1 0 249.354 2.358 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000130206873 358952116 /nfs/dbraw/zinc/95/21/16/358952116.db2.gz RGQIXEOZHVGDLJ-VIFPVBQESA-N 1 0 240.100 2.091 10 30 BEEERO Cc1cc(C#N)cc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000161745102 358956119 /nfs/dbraw/zinc/95/61/19/358956119.db2.gz CCUAGROCSNYSMY-GFCCVEGCSA-N 1 0 232.331 2.047 10 30 BEEERO N#Cc1cccc(OCC[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000435203766 201252089 /nfs/dbraw/zinc/25/20/89/201252089.db2.gz YXPPYCVEYGPXTF-UKRRQHHQSA-N 1 0 242.322 2.421 10 30 BEEERO [NH3+]CC#Cc1ccc(Cl)c(Cl)c1 ZINC000037471005 181346383 /nfs/dbraw/zinc/34/63/83/181346383.db2.gz KKGVAVCESNSYMZ-UHFFFAOYSA-N 1 0 200.068 2.304 10 30 BEEERO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336683431 365350852 /nfs/dbraw/zinc/35/08/52/365350852.db2.gz IVGJCTGFOBYHGW-WDEREUQCSA-N 1 0 212.362 2.410 10 30 BEEERO COCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000081711785 370914925 /nfs/dbraw/zinc/91/49/25/370914925.db2.gz ZBOIJIVICOUBCT-TUAOUCFPSA-N 1 0 210.321 2.083 10 30 BEEERO CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054827099 369100773 /nfs/dbraw/zinc/10/07/73/369100773.db2.gz PLKMGOJFYAWLTD-TZMCWYRMSA-N 1 0 235.375 2.143 10 30 BEEERO CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827843 369101152 /nfs/dbraw/zinc/10/11/52/369101152.db2.gz MHZKNOCBMYXLSP-QJPTWQEYSA-N 1 0 210.321 2.083 10 30 BEEERO CCC[NH+]1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000054827101 369101223 /nfs/dbraw/zinc/10/12/23/369101223.db2.gz PLKMGOJFYAWLTD-OCCSQVGLSA-N 1 0 235.375 2.143 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000600962131 369581211 /nfs/dbraw/zinc/58/12/11/369581211.db2.gz YZIPSJZUUSEORB-ONGXEEELSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000600962882 369581699 /nfs/dbraw/zinc/58/16/99/369581699.db2.gz OKBYJBMKBLMFTC-WCBMZHEXSA-N 1 0 235.718 2.138 10 30 BEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCCC#N ZINC000306796192 369973555 /nfs/dbraw/zinc/97/35/55/369973555.db2.gz VVEGGXIQTVIAGL-ZDUSSCGKSA-N 1 0 231.343 2.010 10 30 BEEERO C=C(C)C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000130904534 370172042 /nfs/dbraw/zinc/17/20/42/370172042.db2.gz BEAXFXVONYGUEZ-GFCCVEGCSA-N 1 0 239.340 2.056 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000309534738 370225309 /nfs/dbraw/zinc/22/53/09/370225309.db2.gz DWISNOANPZSJDN-RWMBFGLXSA-N 1 0 222.332 2.227 10 30 BEEERO C=CCOC(=O)CC1(C[NH3+])CCCCC1 ZINC000114218358 370548525 /nfs/dbraw/zinc/54/85/25/370548525.db2.gz YQEHIYVSUDAJRD-UHFFFAOYSA-N 1 0 211.305 2.015 10 30 BEEERO C[C@@H](C(=O)c1ccco1)/[N+](O)=C/c1ccccc1 ZINC000225410366 370552510 /nfs/dbraw/zinc/55/25/10/370552510.db2.gz QOTDQUYPNQMREU-SAIXKJTDSA-N 1 0 244.270 2.372 10 30 BEEERO N#Cc1ccc(Nc2cc[nH+]cc2N)cc1 ZINC000020585584 371300042 /nfs/dbraw/zinc/30/00/42/371300042.db2.gz YUSNIYMLRWTCCC-UHFFFAOYSA-N 1 0 210.240 2.279 10 30 BEEERO C=C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000131758888 371667541 /nfs/dbraw/zinc/66/75/41/371667541.db2.gz HLMBSYXFCWTXOA-CQSZACIVSA-N 1 0 217.312 2.200 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227734316 371927703 /nfs/dbraw/zinc/92/77/03/371927703.db2.gz LNOPFKHBCDIRHN-RQJABVFESA-N 1 0 236.359 2.209 10 30 BEEERO CC(C)(C=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228054285 371982716 /nfs/dbraw/zinc/98/27/16/371982716.db2.gz TWGQTKTZUMWFAE-VXGBXAGGSA-N 1 0 209.333 2.476 10 30 BEEERO C#C[C@@H]([NH3+])[C@H](C)Oc1cccc(Cl)c1 ZINC000163753472 372047176 /nfs/dbraw/zinc/04/71/76/372047176.db2.gz NTBFTKCWZZXCAH-GZMMTYOYSA-N 1 0 209.676 2.068 10 30 BEEERO C=C(C)[C@H]([NH3+])c1nscc1Br ZINC000404805662 372116793 /nfs/dbraw/zinc/11/67/93/372116793.db2.gz NKJFGECLQQZOTA-LURJTMIESA-N 1 0 233.134 2.482 10 30 BEEERO C=C(Cl)CN1C[C@](C)(CC)[NH2+]C[C@@H]1C ZINC000228825106 372083853 /nfs/dbraw/zinc/08/38/53/372083853.db2.gz KXAGJBVCQHJMES-QWRGUYRKSA-N 1 0 216.756 2.201 10 30 BEEERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000040673128 373592869 /nfs/dbraw/zinc/59/28/69/373592869.db2.gz CVSIARMOESSYAQ-DOMZBBRYSA-N 1 0 243.354 2.303 10 30 BEEERO OCC#Cc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC000049616751 183032253 /nfs/dbraw/zinc/03/22/53/183032253.db2.gz SLTDANUKNVNSGC-UHFFFAOYSA-N 1 0 247.313 2.155 10 30 BEEERO CCC[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617732 169080234 /nfs/dbraw/zinc/08/02/34/169080234.db2.gz BCCPRIBBBXOKCF-UHFFFAOYSA-N 1 0 235.302 2.011 10 30 BEEERO CCC[NH+](CCC)Cc1ccccc1/C(N)=N/O ZINC000019505109 169149057 /nfs/dbraw/zinc/14/90/57/169149057.db2.gz CIBYNDXWBGUHIB-UHFFFAOYSA-N 1 0 249.358 2.403 10 30 BEEERO CCC[NH+](CCC)Cc1ccc(/C(N)=N/O)cc1 ZINC000019478365 169149297 /nfs/dbraw/zinc/14/92/97/169149297.db2.gz FFBOVFRIYVGTBI-UHFFFAOYSA-N 1 0 249.358 2.403 10 30 BEEERO CCC[N@H+](CC)Cc1cccc(C#CCO)c1 ZINC000049617334 169130233 /nfs/dbraw/zinc/13/02/33/169130233.db2.gz NNXBUUCNPXCHHN-UHFFFAOYSA-N 1 0 231.339 2.262 10 30 BEEERO CCC[N@H+](CC)Cc1ccc(/C(N)=N/O)cc1 ZINC000037095148 169130704 /nfs/dbraw/zinc/13/07/04/169130704.db2.gz GFYCHEIXHOMZMS-UHFFFAOYSA-N 1 0 235.331 2.013 10 30 BEEERO CCC[N@H+](CCN(C)C)C[C@@](C)(C=O)CCC ZINC000051178845 169158512 /nfs/dbraw/zinc/15/85/12/169158512.db2.gz QEGFWWYVCYGEKO-AWEZNQCLSA-N 1 0 242.407 2.265 10 30 BEEERO CCCOc1ccc(C[C@H](C)[NH3+])c(OCC#N)c1 ZINC000037722223 169319316 /nfs/dbraw/zinc/31/93/16/169319316.db2.gz BRPHRVBNJXJPAE-NSHDSACASA-N 1 0 248.326 2.267 10 30 BEEERO CCC[C@@H](C)C(=O)Nc1ccccc1C#CC[NH3+] ZINC000037550827 169353049 /nfs/dbraw/zinc/35/30/49/169353049.db2.gz WRFUPHJQRNHQFW-GFCCVEGCSA-N 1 0 244.338 2.372 10 30 BEEERO N#C[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000000393859 383864444 /nfs/dbraw/zinc/86/44/44/383864444.db2.gz KMTKDSAEYAXGJJ-ZDUSSCGKSA-N 1 0 200.285 2.293 10 30 BEEERO C[C@@H](CC[NH3+])Nc1cc(Cl)ccc1C#N ZINC000336685249 384249485 /nfs/dbraw/zinc/24/94/85/384249485.db2.gz KQEUYGPJDXBUSY-QMMMGPOBSA-N 1 0 223.707 2.361 10 30 BEEERO CCCCCCCCC[NH2+]CCNC(C)=O ZINC000095862431 384402411 /nfs/dbraw/zinc/40/24/11/384402411.db2.gz YFWXSUYHFNMACR-UHFFFAOYSA-N 1 0 228.380 2.463 10 30 BEEERO C=CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000102488682 384482840 /nfs/dbraw/zinc/48/28/40/384482840.db2.gz XXNPNULXPVMSRI-UHFFFAOYSA-N 1 0 236.359 2.039 10 30 BEEERO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000124076291 384613319 /nfs/dbraw/zinc/61/33/19/384613319.db2.gz VHTRFYNUVZSXBU-HOCLYGCPSA-N 1 0 243.350 2.273 10 30 BEEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000300364827 384697948 /nfs/dbraw/zinc/69/79/48/384697948.db2.gz HMWOCMYHGGFSFN-DRZSPHRISA-N 1 0 222.332 2.083 10 30 BEEERO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000127334421 384727187 /nfs/dbraw/zinc/72/71/87/384727187.db2.gz REKMJQSBTZBGLM-LBPRGKRZSA-N 1 0 247.342 2.067 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379887903 384799292 /nfs/dbraw/zinc/79/92/92/384799292.db2.gz YLYRRXUOPQTLTM-STQMWFEESA-N 1 0 220.316 2.005 10 30 BEEERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(C)(C)C#N ZINC000119682604 384939828 /nfs/dbraw/zinc/93/98/28/384939828.db2.gz YNFLPRYJTUZAEI-GHMZBOCLSA-N 1 0 210.321 2.035 10 30 BEEERO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 ZINC000136256582 385001669 /nfs/dbraw/zinc/00/16/69/385001669.db2.gz ATSNCYUKEMVCKA-HZMBPMFUSA-N 1 0 248.301 2.354 10 30 BEEERO COCC1(C[NH2+][C@H]2CCC[C@H]2C#N)CCC1 ZINC000336659263 385059990 /nfs/dbraw/zinc/05/99/90/385059990.db2.gz IZBYUXNWIGCQSG-RYUDHWBXSA-N 1 0 222.332 2.085 10 30 BEEERO N#Cc1ccc(OC2CCC([NH3+])CC2)cc1 ZINC000055143676 385413083 /nfs/dbraw/zinc/41/30/83/385413083.db2.gz HPELXNHOEXFXFZ-UHFFFAOYSA-N 1 0 216.284 2.207 10 30 BEEERO Cc1cc(NC[C@]2(C)CCC[NH2+]C2)cc(C#N)n1 ZINC000308245625 385413186 /nfs/dbraw/zinc/41/31/86/385413186.db2.gz SAIYJTFJVCHVIE-CQSZACIVSA-N 1 0 244.342 2.063 10 30 BEEERO Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)cc(C#N)n1 ZINC000308245623 385414236 /nfs/dbraw/zinc/41/42/36/385414236.db2.gz SAIYJTFJVCHVIE-AWEZNQCLSA-N 1 0 244.342 2.063 10 30 BEEERO C=C(Cl)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000228259463 385572356 /nfs/dbraw/zinc/57/23/56/385572356.db2.gz MXBYKDOGNVIMKA-RYUDHWBXSA-N 1 0 228.767 2.298 10 30 BEEERO C#CCCC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000309608864 385739005 /nfs/dbraw/zinc/73/90/05/385739005.db2.gz ZJKUKKJSUNKLSC-YNEHKIRRSA-N 1 0 221.344 2.193 10 30 BEEERO N#Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000086402029 385774478 /nfs/dbraw/zinc/77/44/78/385774478.db2.gz DYARIXDICGUEJV-AAEUAGOBSA-N 1 0 215.300 2.240 10 30 BEEERO C[NH2+]CC#Cc1ccc(Br)cc1 ZINC000258364442 385778951 /nfs/dbraw/zinc/77/89/51/385778951.db2.gz ZQLRUICZALFDPP-UHFFFAOYSA-N 1 0 224.101 2.020 10 30 BEEERO C=CC[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000116926600 385803017 /nfs/dbraw/zinc/80/30/17/385803017.db2.gz XSWAJLXQFRJFER-SECBINFHSA-N 1 0 206.289 2.150 10 30 BEEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000086500180 386161107 /nfs/dbraw/zinc/16/11/07/386161107.db2.gz ZVGGUYGSNWJKLH-CABZTGNLSA-N 1 0 236.340 2.277 10 30 BEEERO C=C(Br)C[NH2+][C@]1(C)C[C@@H]1C ZINC000575575191 386176986 /nfs/dbraw/zinc/17/69/86/386176986.db2.gz DSCMWGXXWBGVGR-POYBYMJQSA-N 1 0 204.111 2.283 10 30 BEEERO CC#CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000051663385 386835426 /nfs/dbraw/zinc/83/54/26/386835426.db2.gz ZSGHEJMCABLHPJ-NSHDSACASA-N 1 0 233.311 2.378 10 30 BEEERO OCC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000051814901 386869934 /nfs/dbraw/zinc/86/99/34/386869934.db2.gz OGBJLDFGQJIPCD-MRXNPFEDSA-N 1 0 243.350 2.275 10 30 BEEERO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398795913 386992991 /nfs/dbraw/zinc/99/29/91/386992991.db2.gz RITLJJIRLGLNEZ-YNEHKIRRSA-N 1 0 209.333 2.045 10 30 BEEERO C#CCOc1c(Cl)cc(C[NH2+]C)cc1OC ZINC000037487715 387534495 /nfs/dbraw/zinc/53/44/95/387534495.db2.gz VKICSWNOTYVUHM-UHFFFAOYSA-N 1 0 239.702 2.080 10 30 BEEERO Cc1cc(C#N)ccc1CN1[C@H](C)COC[C@H]1C ZINC000186239047 387534720 /nfs/dbraw/zinc/53/47/20/387534720.db2.gz HLMPTPHADMZTBW-CHWSQXEVSA-N 1 0 244.338 2.476 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178301736 387921980 /nfs/dbraw/zinc/92/19/80/387921980.db2.gz YRHQRNSOWDCTQU-ZDUSSCGKSA-N 1 0 219.332 2.232 10 30 BEEERO C=CC[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000195516288 387922890 /nfs/dbraw/zinc/92/28/90/387922890.db2.gz GWQANWQYCUULNG-ZDUSSCGKSA-N 1 0 231.343 2.310 10 30 BEEERO N#Cc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000042294802 388443839 /nfs/dbraw/zinc/44/38/39/388443839.db2.gz HOGYHCDJELALCJ-UHFFFAOYSA-N 1 0 232.352 2.497 10 30 BEEERO CC(C)(C)[N@@H+]1CCc2sc(N)c(C#N)c2C1 ZINC000039123401 388407279 /nfs/dbraw/zinc/40/72/79/388407279.db2.gz RIVCLOMPEZWSRL-UHFFFAOYSA-N 1 0 235.356 2.359 10 30 BEEERO C[N@@H+](Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000122907453 388588940 /nfs/dbraw/zinc/58/89/40/388588940.db2.gz AIOLAQQORCIIBA-UHFFFAOYSA-N 1 0 240.310 2.048 10 30 BEEERO C=C(C)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245429311 388579192 /nfs/dbraw/zinc/57/91/92/388579192.db2.gz NAYKGKPTWZXCFA-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO Cc1cc(NCC2([NH3+])CCCCC2)cc(C#N)n1 ZINC000308238339 388658494 /nfs/dbraw/zinc/65/84/94/388658494.db2.gz IKSJREGZEACXSC-UHFFFAOYSA-N 1 0 244.342 2.335 10 30 BEEERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335161404 388828458 /nfs/dbraw/zinc/82/84/58/388828458.db2.gz DUKXIRMTAKYJJP-UFBFGSQYSA-N 1 0 204.248 2.195 10 30 BEEERO N#Cc1ccc(N2CCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000062791354 132388416 /nfs/dbraw/zinc/38/84/16/132388416.db2.gz RKRDDFLBHLDBII-LLVKDONJSA-N 1 0 249.745 2.387 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1cc(C)ccc1C#N ZINC000063169464 132389406 /nfs/dbraw/zinc/38/94/06/132389406.db2.gz JBGXFUOWTKIWQP-AWEZNQCLSA-N 1 0 243.354 2.445 10 30 BEEERO N#CC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000336190598 134123209 /nfs/dbraw/zinc/12/32/09/134123209.db2.gz HWQRVMQEMQTRNJ-HIFRSBDPSA-N 1 0 248.370 2.307 10 30 BEEERO N#CC1(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000336190600 134123246 /nfs/dbraw/zinc/12/32/46/134123246.db2.gz HWQRVMQEMQTRNJ-UKRRQHHQSA-N 1 0 248.370 2.307 10 30 BEEERO C=CCC[C@H]([NH2+]C[C@@H]1CCCN1C)C1CC1 ZINC000120511586 134229856 /nfs/dbraw/zinc/22/98/56/134229856.db2.gz AXXHAFUMJJVJNV-KBPBESRZSA-N 1 0 222.376 2.415 10 30 BEEERO C=CCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000175478588 134287210 /nfs/dbraw/zinc/28/72/10/134287210.db2.gz ZVRPDHVJYZEQBN-UHFFFAOYSA-N 1 0 236.359 2.039 10 30 BEEERO C=CC[NH2+][C@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309442589 134429794 /nfs/dbraw/zinc/42/97/94/134429794.db2.gz IXPLUKFIWJZBKP-RYUDHWBXSA-N 1 0 225.332 2.274 10 30 BEEERO C[NH+]=C(NCC1CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156018381 134705934 /nfs/dbraw/zinc/70/59/34/134705934.db2.gz URZRTRLVZVAUCA-BETUJISGSA-N 1 0 235.375 2.094 10 30 BEEERO C[C@@H]1OCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000134545897 134713215 /nfs/dbraw/zinc/71/32/15/134713215.db2.gz GDVMYMYHXNNOAB-QWRGUYRKSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@H]1C(=NO)CC[N@H+]1Cc1ccccc1 ZINC000255998337 135098426 /nfs/dbraw/zinc/09/84/26/135098426.db2.gz QYXRREXPAUULFK-JTQLQIEISA-N 1 0 204.273 2.111 10 30 BEEERO C=C(C)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252888842 135116359 /nfs/dbraw/zinc/11/63/59/135116359.db2.gz BKZNESRKDZOXPD-OLZOCXBDSA-N 1 0 208.349 2.121 10 30 BEEERO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253090271 135120000 /nfs/dbraw/zinc/12/00/00/135120000.db2.gz HXAJXWSGNPOTHH-MCIONIFRSA-N 1 0 221.344 2.025 10 30 BEEERO C=C[C@]1(O)C[C@H](C)[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000255969689 135130660 /nfs/dbraw/zinc/13/06/60/135130660.db2.gz DNTLHLDYMDJBDF-CYDGBPFRSA-N 1 0 209.333 2.186 10 30 BEEERO CC1(C)CN(c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000259299863 135142850 /nfs/dbraw/zinc/14/28/50/135142850.db2.gz PQCOHDACVJFFLK-CYBMUJFWSA-N 1 0 229.327 2.122 10 30 BEEERO C[C@@H]1CCN(c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261542871 135183368 /nfs/dbraw/zinc/18/33/68/135183368.db2.gz QYVDQDYIUPXTBN-RISCZKNCSA-N 1 0 229.327 2.122 10 30 BEEERO CC1(C)CN(c2cccc(F)c2C#N)CC[C@H]1[NH3+] ZINC000261573293 135215079 /nfs/dbraw/zinc/21/50/79/135215079.db2.gz MEGFQXAIDVFUKF-CYBMUJFWSA-N 1 0 247.317 2.261 10 30 BEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261664986 135243598 /nfs/dbraw/zinc/24/35/98/135243598.db2.gz GGBKTEYRHLASBW-RWMBFGLXSA-N 1 0 249.402 2.482 10 30 BEEERO CCC1(CC)CCN(C(N[C@@H]2C[C@@H]2C)=[NH+]C)C1 ZINC000261829723 135256282 /nfs/dbraw/zinc/25/62/82/135256282.db2.gz VJSVEYYHFCRZSG-NWDGAFQWSA-N 1 0 237.391 2.482 10 30 BEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[C@@H]1C ZINC000262472070 135300733 /nfs/dbraw/zinc/30/07/33/135300733.db2.gz GWVOJPLNTOEGMO-VHSXEESVSA-N 1 0 243.420 2.092 10 30 BEEERO Cc1ccc(Cl)cc1CNC(=[NH2+])N1CCC1 ZINC000263140170 135334744 /nfs/dbraw/zinc/33/47/44/135334744.db2.gz OCVKQNGLPSUWDS-UHFFFAOYSA-N 1 0 237.734 2.169 10 30 BEEERO [NH2+]=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)NCC1CCC1 ZINC000263137875 135335204 /nfs/dbraw/zinc/33/52/04/135335204.db2.gz NVBZVELKORNJLZ-HZSPNIEDSA-N 1 0 247.386 2.293 10 30 BEEERO [NH2+]=C(NC[C@H]1CC12CC2)NC1CCCCC1 ZINC000263207235 135339132 /nfs/dbraw/zinc/33/91/32/135339132.db2.gz YKNCRTWOYUOCDE-SNVBAGLBSA-N 1 0 221.348 2.024 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1CCC12CCCC2 ZINC000263274694 135343356 /nfs/dbraw/zinc/34/33/56/135343356.db2.gz QCVFUKLAHYLGHP-GFCCVEGCSA-N 1 0 235.375 2.414 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@H]1CCC12CCCC2 ZINC000263274698 135343713 /nfs/dbraw/zinc/34/37/13/135343713.db2.gz QCVFUKLAHYLGHP-LBPRGKRZSA-N 1 0 235.375 2.414 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000061891895 398107699 /nfs/dbraw/zinc/10/76/99/398107699.db2.gz OWAOGFLJDCKCSG-HIFRSBDPSA-N 1 0 226.323 2.436 10 30 BEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000245409079 398115770 /nfs/dbraw/zinc/11/57/70/398115770.db2.gz KIWUMJSOJMATSM-KBPBESRZSA-N 1 0 249.402 2.485 10 30 BEEERO C#CCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273141609 166132449 /nfs/dbraw/zinc/13/24/49/166132449.db2.gz UMRPAOMUYCNDPL-CYBMUJFWSA-N 1 0 237.730 2.376 10 30 BEEERO C#CC[NH2+]CCn1ccc2cccc(CC)c21 ZINC000053524809 166188065 /nfs/dbraw/zinc/18/80/65/166188065.db2.gz ATUQLYWBFAYAAN-UHFFFAOYSA-N 1 0 226.323 2.427 10 30 BEEERO C#CCOc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733219 166197872 /nfs/dbraw/zinc/19/78/72/166197872.db2.gz JGEQWDKEPWFTJA-UHFFFAOYSA-N 1 0 247.338 2.453 10 30 BEEERO C=CCN(C(=O)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000037817632 166311157 /nfs/dbraw/zinc/31/11/57/166311157.db2.gz AVCUDIXXVYMYDV-CYBMUJFWSA-N 1 0 236.359 2.086 10 30 BEEERO C=CC[NH+](CC=C)CCc1cccc(N)c1 ZINC000041139374 166335873 /nfs/dbraw/zinc/33/58/73/166335873.db2.gz BWGRQYWISXRDQF-UHFFFAOYSA-N 1 0 216.328 2.485 10 30 BEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1cc(C)ccc1C ZINC000076631550 166385051 /nfs/dbraw/zinc/38/50/51/166385051.db2.gz OKRZITMNCHVFGG-ZDUSSCGKSA-N 1 0 246.354 2.038 10 30 BEEERO C=CC[NH2+]CCOc1ccc(C)c(C)c1 ZINC000004568354 166398478 /nfs/dbraw/zinc/39/84/78/166398478.db2.gz RLQMDFLYDQNBNU-UHFFFAOYSA-N 1 0 205.301 2.458 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc(C)cc1 ZINC000049813225 166398548 /nfs/dbraw/zinc/39/85/48/166398548.db2.gz IDSSICRVALIOKS-ZDUSSCGKSA-N 1 0 205.301 2.194 10 30 BEEERO C=CC[NH2+]CC[C@H](O)c1ccc(Cl)c(N)c1 ZINC000098126629 166399773 /nfs/dbraw/zinc/39/97/73/166399773.db2.gz VEKZOMARILYYHN-LBPRGKRZSA-N 1 0 240.734 2.121 10 30 BEEERO CC(C)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000122487702 167005008 /nfs/dbraw/zinc/00/50/08/167005008.db2.gz ACIDSYXWPBSHHA-UHFFFAOYSA-N 1 0 218.300 2.183 10 30 BEEERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(N)cc1C#N ZINC000049194966 167394888 /nfs/dbraw/zinc/39/48/88/167394888.db2.gz LTNJFNJIVBPMSE-CQSZACIVSA-N 1 0 246.358 2.139 10 30 BEEERO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCC[C@@H]2C#N)C1 ZINC000062979882 169798268 /nfs/dbraw/zinc/79/82/68/169798268.db2.gz XRZQRXCUBPAFEQ-MGPQQGTHSA-N 1 0 235.375 2.095 10 30 BEEERO CC(C)c1ccc([C@@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019405459 167611596 /nfs/dbraw/zinc/61/15/96/167611596.db2.gz LSPPCBOURUQHTG-OAHLLOKOSA-N 1 0 243.354 2.280 10 30 BEEERO CC[NH+](CC)[C@H]1CCN([C@@H]2CCC[C@@H]2C#N)C1 ZINC000062979883 169801804 /nfs/dbraw/zinc/80/18/04/169801804.db2.gz XRZQRXCUBPAFEQ-HZSPNIEDSA-N 1 0 235.375 2.095 10 30 BEEERO CCN[C@@](C)(C#N)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000104347575 170154682 /nfs/dbraw/zinc/15/46/82/170154682.db2.gz FHZCNTKKZKKDBJ-UONOGXRCSA-N 1 0 237.391 2.390 10 30 BEEERO CCN[C@](C)(C#N)CN1CCC(C)(C)CC1 ZINC000061821655 170169504 /nfs/dbraw/zinc/16/95/04/170169504.db2.gz RFHCQSCLEZVECI-CYBMUJFWSA-N 1 0 223.364 2.000 10 30 BEEERO CC[C@H](C#N)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000104422908 171218983 /nfs/dbraw/zinc/21/89/83/171218983.db2.gz IIQBUCYCWFIOSV-ZIAGYGMSSA-N 1 0 237.391 2.246 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1ccccc1C#CCO ZINC000049617199 171307779 /nfs/dbraw/zinc/30/77/79/171307779.db2.gz OKJOHHIQKBDPLL-ZDUSSCGKSA-N 1 0 231.339 2.261 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617212 171308419 /nfs/dbraw/zinc/30/84/19/171308419.db2.gz UEVHGWVGLRCQHE-LBPRGKRZSA-N 1 0 249.329 2.400 10 30 BEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCC ZINC000662842390 412318470 /nfs/dbraw/zinc/31/84/70/412318470.db2.gz NUWQQAHFJOFJRM-FRRDWIJNSA-N 1 0 238.375 2.365 10 30 BEEERO CCc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940381 171828932 /nfs/dbraw/zinc/82/89/32/171828932.db2.gz JJKFZUQNYAKJHG-OAHLLOKOSA-N 1 0 243.354 2.109 10 30 BEEERO CN(CCC[NH2+]CCCC#N)c1ccccc1 ZINC000020043947 172707623 /nfs/dbraw/zinc/70/76/23/172707623.db2.gz ZYVAUMGVPYDHBW-UHFFFAOYSA-N 1 0 231.343 2.406 10 30 BEEERO C[N@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccco1)C2 ZINC000000135880 173205783 /nfs/dbraw/zinc/20/57/83/173205783.db2.gz CGDQDNNLYVMZMZ-PHIMTYICSA-N 1 0 248.282 2.049 10 30 BEEERO C[NH2+][C@H]1COc2cc(OCCCCC#N)ccc21 ZINC000062804100 173467805 /nfs/dbraw/zinc/46/78/05/173467805.db2.gz IYKQTMGDRUCURT-ZDUSSCGKSA-N 1 0 246.310 2.412 10 30 BEEERO COCCCSCc1cccc(C#CC[NH3+])c1 ZINC000104439410 174258614 /nfs/dbraw/zinc/25/86/14/174258614.db2.gz SXQXPAUYYQVTBU-UHFFFAOYSA-N 1 0 249.379 2.267 10 30 BEEERO COCC[N@H+](CCCCC#N)[C@@H](C)C1CC1 ZINC000042616506 174290268 /nfs/dbraw/zinc/29/02/68/174290268.db2.gz JLZRSSFSUVAXIG-LBPRGKRZSA-N 1 0 224.348 2.427 10 30 BEEERO COc1ccccc1CNC1=[NH+]C[C@H](C)S1 ZINC000020354390 175319714 /nfs/dbraw/zinc/31/97/14/175319714.db2.gz DRVLZDPLYNXSCK-VIFPVBQESA-N 1 0 236.340 2.276 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)cc1F ZINC000336666778 175665740 /nfs/dbraw/zinc/66/57/40/175665740.db2.gz QGBAUXDTECPUAC-VIFPVBQESA-N 1 0 221.279 2.237 10 30 BEEERO C[C@@H](CC[NH3+])Nc1c(C#N)cnc2ccccc21 ZINC000311014071 175673250 /nfs/dbraw/zinc/67/32/50/175673250.db2.gz PRCIIJFEABWMEG-JTQLQIEISA-N 1 0 240.310 2.256 10 30 BEEERO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C#N)s1 ZINC000132672637 175892642 /nfs/dbraw/zinc/89/26/42/175892642.db2.gz LAYWSRSUAJKWOT-NXEZZACHSA-N 1 0 236.340 2.449 10 30 BEEERO C[C@@H](S)[C@H]1[NH2+]CCc2c(F)cccc21 ZINC000083665040 176007228 /nfs/dbraw/zinc/00/72/28/176007228.db2.gz LNJSLHHPXDFKOM-RDDDGLTNSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@@H]1CCC[N@H+](Cc2ccccc2C#CCO)C1 ZINC000049616044 176102472 /nfs/dbraw/zinc/10/24/72/176102472.db2.gz MQAOSZPVQOAFLB-CQSZACIVSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1F ZINC000335656472 176185291 /nfs/dbraw/zinc/18/52/91/176185291.db2.gz JHCJIABMNFLHRB-RNCFNFMXSA-N 1 0 233.290 2.107 10 30 BEEERO C[C@@H]1C[NH+]=C(NCc2ccc(C#N)cc2)S1 ZINC000051354692 176324585 /nfs/dbraw/zinc/32/45/85/176324585.db2.gz PEYLQSGJRUBHCF-SECBINFHSA-N 1 0 231.324 2.139 10 30 BEEERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@H](C)C#N ZINC000042915509 176552594 /nfs/dbraw/zinc/55/25/94/176552594.db2.gz AJYKFWXHKSGXIU-JTNHKYCSSA-N 1 0 249.333 2.305 10 30 BEEERO C[C@H]([NH2+]C1CCOCC1)c1ccc(C#N)s1 ZINC000127408647 176830236 /nfs/dbraw/zinc/83/02/36/176830236.db2.gz JTRIQMZRTGYGEB-VIFPVBQESA-N 1 0 236.340 2.449 10 30 BEEERO C[C@H](S)[C@@H]1[NH2+]CCc2c(F)cccc21 ZINC000083665041 177025526 /nfs/dbraw/zinc/02/55/26/177025526.db2.gz LNJSLHHPXDFKOM-CPCISQLKSA-N 1 0 211.305 2.331 10 30 BEEERO C[C@H]1CC(C)(C)C[C@](C#N)(NCC[NH+](C)C)C1 ZINC000037940652 177063756 /nfs/dbraw/zinc/06/37/56/177063756.db2.gz YCGYLZTUEHYWAL-GXTWGEPZSA-N 1 0 237.391 2.246 10 30 BEEERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049615716 177077816 /nfs/dbraw/zinc/07/78/16/177077816.db2.gz XDJQHSZGUKQUBQ-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C=O)CCOCC1 ZINC000052180078 177096892 /nfs/dbraw/zinc/09/68/92/177096892.db2.gz ZMBLVAFFHOWQAN-QWHCGFSZSA-N 1 0 239.359 2.103 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2ccccc2/C(N)=N/O)C1 ZINC000019438259 177101600 /nfs/dbraw/zinc/10/16/00/177101600.db2.gz WSRYVBYZRNCFTH-NSHDSACASA-N 1 0 247.342 2.013 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2ccccc2C#CCO)C1 ZINC000049616047 177102462 /nfs/dbraw/zinc/10/24/62/177102462.db2.gz MQAOSZPVQOAFLB-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615195 177110592 /nfs/dbraw/zinc/11/05/92/177110592.db2.gz RITUMIGXESIEHK-AWEZNQCLSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@H]1C[NH+](Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000057661496 177261849 /nfs/dbraw/zinc/26/18/49/177261849.db2.gz NQEUMGLIHKCBPL-STQMWFEESA-N 1 0 244.338 2.362 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000123996779 177276320 /nfs/dbraw/zinc/27/63/20/177276320.db2.gz HXFMUVHCIJRXQU-HZMBPMFUSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1C[C@H]1C[N@H+](C)Cc1sccc1C#CCO ZINC000104413765 177379235 /nfs/dbraw/zinc/37/92/35/177379235.db2.gz MDTZJJNRWVZRRY-AAEUAGOBSA-N 1 0 249.379 2.180 10 30 BEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)cc1 ZINC000082668129 269614575 /nfs/dbraw/zinc/61/45/75/269614575.db2.gz BWZJHIDJLRVKIR-ZDUSSCGKSA-N 1 0 217.316 2.344 10 30 BEEERO N#Cc1ccc([C@@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536955357 323964994 /nfs/dbraw/zinc/96/49/94/323964994.db2.gz XMSBJRMTYANAAG-CQSZACIVSA-N 1 0 244.338 2.153 10 30 BEEERO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000124076975 490347558 /nfs/dbraw/zinc/34/75/58/490347558.db2.gz VHTRFYNUVZSXBU-GDBMZVCRSA-N 1 0 243.350 2.273 10 30 BEEERO C=C(Cl)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227380532 534441803 /nfs/dbraw/zinc/44/18/03/534441803.db2.gz QAPCXFKALIISNV-NWDGAFQWSA-N 1 0 229.751 2.366 10 30 BEEERO C=C(Cl)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252891400 534442912 /nfs/dbraw/zinc/44/29/12/534442912.db2.gz KHEFJKRKTPPHSL-NEPJUHHUSA-N 1 0 228.767 2.298 10 30 BEEERO CCCCCCCC1=[NH+]CCN1CCO ZINC000100297042 519970714 /nfs/dbraw/zinc/97/07/14/519970714.db2.gz MTEKQDXWVXZMDN-UHFFFAOYSA-N 1 0 212.337 2.053 10 30 BEEERO C=C[C@@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000119368351 534512080 /nfs/dbraw/zinc/51/20/80/534512080.db2.gz CJKSRWVIWCOBEI-GDBMZVCRSA-N 1 0 244.382 2.468 10 30 BEEERO CC(C)(C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263271106 534663650 /nfs/dbraw/zinc/66/36/50/534663650.db2.gz OZLPETAXSGINSH-SNVBAGLBSA-N 1 0 223.364 2.412 10 30 BEEERO C=CCCC[C@@H](C)NC(=O)[C@@](C)([NH3+])CCC ZINC000262167479 534750895 /nfs/dbraw/zinc/75/08/95/534750895.db2.gz WGFIUHWAUDNKEJ-YPMHNXCESA-N 1 0 226.364 2.365 10 30 BEEERO CCC([NH3+])(CC)CNc1cc(C)nc(C#N)c1 ZINC000308237170 528955841 /nfs/dbraw/zinc/95/58/41/528955841.db2.gz FWVURBMGCNALCE-UHFFFAOYSA-N 1 0 232.331 2.191 10 30 BEEERO CC[NH+]=C(NCC1CCC1)N[C@H]1CC1(C)C ZINC000262907968 535261083 /nfs/dbraw/zinc/26/10/83/535261083.db2.gz JDOSUQNFOZKRTN-NSHDSACASA-N 1 0 223.364 2.140 10 30 BEEERO CC[NH+]=C(NCCc1ccco1)N[C@@H]1CC1(C)C ZINC000262253310 535262172 /nfs/dbraw/zinc/26/21/72/535262172.db2.gz QUUURPCNCAXEAT-GFCCVEGCSA-N 1 0 249.358 2.176 10 30 BEEERO CC[C@]1(C(C)C)C[C@@H]1NC1=[NH+]CCCN1C ZINC000263072320 535884463 /nfs/dbraw/zinc/88/44/63/535884463.db2.gz GWRLIXJAEGURRS-WCQYABFASA-N 1 0 223.364 2.092 10 30 BEEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])NCC(C)C ZINC000263192277 535884719 /nfs/dbraw/zinc/88/47/19/535884719.db2.gz VXASDGUNNZSTKN-WCQYABFASA-N 1 0 225.380 2.371 10 30 BEEERO C=CC[C@H]([NH3+])C(=O)CCCOCc1ccccc1 ZINC000310016182 566343632 /nfs/dbraw/zinc/34/36/32/566343632.db2.gz OETIIEABVDHRNU-AWEZNQCLSA-N 1 0 247.338 2.456 10 30 BEEERO [NH3+][C@@H](CS)C(=O)Nc1ccc2ccccc2c1 ZINC000005139057 560200789 /nfs/dbraw/zinc/20/07/89/560200789.db2.gz NCMHLYITDACZJV-LBPRGKRZSA-N 1 0 246.335 2.035 10 30 in-vitro BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C=C1CCC1 ZINC000121344647 585068346 /nfs/dbraw/zinc/06/83/46/585068346.db2.gz BBDYHODZKSMMFX-ZDUSSCGKSA-N 1 0 249.354 2.374 10 30 BEEERO CC[C@@H](C)C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119419129 589283110 /nfs/dbraw/zinc/28/31/10/589283110.db2.gz YJOYGVIBLJVQIA-CHWSQXEVSA-N 1 0 239.359 2.309 10 30 BEEERO C=CC[N@@H+](C)C[C@H](O)c1cc(C)cc(C)c1 ZINC000121181031 589512064 /nfs/dbraw/zinc/51/20/64/589512064.db2.gz OELXSBBGDGCNML-AWEZNQCLSA-N 1 0 219.328 2.455 10 30 BEEERO CCCCCCCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000125593610 590172100 /nfs/dbraw/zinc/17/21/00/590172100.db2.gz ROQOTMSIDVIRBR-QWHCGFSZSA-N 1 0 240.391 2.461 10 30 BEEERO CC#CCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000125719992 590182678 /nfs/dbraw/zinc/18/26/78/590182678.db2.gz YXGXFLZNBUVCQQ-ZDUSSCGKSA-N 1 0 237.730 2.376 10 30 BEEERO C=CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000127141872 590575129 /nfs/dbraw/zinc/57/51/29/590575129.db2.gz HXAFPXFZJBMVHY-CYBMUJFWSA-N 1 0 223.291 2.285 10 30 BEEERO C=CCN1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000134806335 591951218 /nfs/dbraw/zinc/95/12/18/591951218.db2.gz VZVFVVZZTRXTOD-CYBMUJFWSA-N 1 0 240.416 2.122 10 30 BEEERO S[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138255132 592254955 /nfs/dbraw/zinc/25/49/55/592254955.db2.gz QWFJMMNRXUOJSK-LBPRGKRZSA-N 1 0 207.342 2.233 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)cc1 ZINC000063169545 634441168 /nfs/dbraw/zinc/44/11/68/634441168.db2.gz FSYPZPZHUNWPKI-AWEZNQCLSA-N 1 0 229.327 2.137 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000054825071 634561663 /nfs/dbraw/zinc/56/16/63/634561663.db2.gz OKPNWVXSOHLDQZ-QLFBSQMISA-N 1 0 244.338 2.392 10 30 BEEERO CC[NH+](CC)CCNc1cc(C)nc(C)c1C#N ZINC000157370334 631299209 /nfs/dbraw/zinc/29/92/09/631299209.db2.gz MBRQKWWMPFLQME-UHFFFAOYSA-N 1 0 246.358 2.324 10 30 BEEERO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000052013057 632040262 /nfs/dbraw/zinc/04/02/62/632040262.db2.gz KEKLRSPIGAYTLQ-ZIAGYGMSSA-N 1 0 248.301 2.090 10 30 BEEERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1O ZINC000158762909 632480115 /nfs/dbraw/zinc/48/01/15/632480115.db2.gz JBAYUSUQCVEVKZ-YPMHNXCESA-N 1 0 230.311 2.483 10 30 BEEERO C#CCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000309461390 633094534 /nfs/dbraw/zinc/09/45/34/633094534.db2.gz OWWCQSSKEAMREA-UHFFFAOYSA-N 1 0 239.750 2.310 10 30 BEEERO C(#Cc1ccccc1)C[NH2+]CC[C@@H]1CCCO1 ZINC000051814225 636025896 /nfs/dbraw/zinc/02/58/96/636025896.db2.gz JAJOPRQEAAFKGB-HNNXBMFYSA-N 1 0 229.323 2.197 10 30 BEEERO C#CCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228198284 640865692 /nfs/dbraw/zinc/86/56/92/640865692.db2.gz YSTQUSHUWUFTAQ-CHWSQXEVSA-N 1 0 207.317 2.043 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000230686585 641087177 /nfs/dbraw/zinc/08/71/77/641087177.db2.gz XILBLNQEEDONRP-BXKDBHETSA-N 1 0 234.274 2.313 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000230686580 641087611 /nfs/dbraw/zinc/08/76/11/641087611.db2.gz XILBLNQEEDONRP-JOYOIKCWSA-N 1 0 234.274 2.313 10 30 BEEERO CCCCCCCC(=O)NC[C@@H](C)[NH2+]C ZINC000232928291 642444462 /nfs/dbraw/zinc/44/44/62/642444462.db2.gz WUOKAEVXPZMMFN-LLVKDONJSA-N 1 0 214.353 2.071 10 30 BEEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncccc1C#N ZINC000049558265 643085558 /nfs/dbraw/zinc/08/55/58/643085558.db2.gz FVHWZOCFSBOJRP-ZDUSSCGKSA-N 1 0 246.358 2.341 10 30 BEEERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000049948709 643563448 /nfs/dbraw/zinc/56/34/48/643563448.db2.gz WWMDEORMNCFGOO-KBPBESRZSA-N 1 0 230.311 2.215 10 30 BEEERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000049948711 643564114 /nfs/dbraw/zinc/56/41/14/643564114.db2.gz WWMDEORMNCFGOO-KGLIPLIRSA-N 1 0 230.311 2.215 10 30 BEEERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000050373704 643691291 /nfs/dbraw/zinc/69/12/91/643691291.db2.gz FHHGOMHEOLBSOC-UONOGXRCSA-N 1 0 248.301 2.354 10 30 BEEERO C=CC[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000123088648 645918860 /nfs/dbraw/zinc/91/88/60/645918860.db2.gz KMWFMQICMWVQSF-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711402414 712297736 /nfs/dbraw/zinc/29/77/36/712297736.db2.gz XEHCXFIMEJSSAU-YNEHKIRRSA-N 1 0 234.343 2.370 10 30 BEEERO C[C@H](C#N)CN(C)CCSC(F)(F)F ZINC000123450630 712693815 /nfs/dbraw/zinc/69/38/15/712693815.db2.gz BUODPHIGDJOQGL-SSDOTTSWSA-N 1 0 226.267 2.331 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722328592 710707248 /nfs/dbraw/zinc/70/72/48/710707248.db2.gz AMRSBTYTDYSUQC-CRWXNKLISA-N 1 0 234.343 2.226 10 30 BEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723671858 711533355 /nfs/dbraw/zinc/53/33/55/711533355.db2.gz HCAMFMJLXGMPNU-SNVBAGLBSA-N 1 0 249.745 2.387 10 30 BEEERO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000706761928 712154926 /nfs/dbraw/zinc/15/49/26/712154926.db2.gz JWGZWAACTZMEMY-QLFBSQMISA-N 1 0 242.322 2.076 10 30 BEEERO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000706761941 712154931 /nfs/dbraw/zinc/15/49/31/712154931.db2.gz JWGZWAACTZMEMY-RRFJBIMHSA-N 1 0 242.322 2.076 10 30 BEEERO C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000378676751 712356950 /nfs/dbraw/zinc/35/69/50/712356950.db2.gz QBVBLTSXXRYEAU-FRRDWIJNSA-N 1 0 211.349 2.482 10 30 BEEERO COCC1CC([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000713997075 712476866 /nfs/dbraw/zinc/47/68/66/712476866.db2.gz DVIPASYILLAERU-UNXYVOJBSA-N 1 0 224.348 2.329 10 30 BEEERO C=CC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715045564 712504552 /nfs/dbraw/zinc/50/45/52/712504552.db2.gz HIGJBJZWLGPMCH-CYDGBPFRSA-N 1 0 209.333 2.044 10 30 BEEERO C#CC[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000037212146 712553483 /nfs/dbraw/zinc/55/34/83/712553483.db2.gz XUNBTINPKDEKTO-UHFFFAOYSA-N 1 0 239.322 2.068 10 30 BEEERO C#CC[C@@H](COC)[NH2+][C@H]1CCc2ccccc21 ZINC000716933005 712596955 /nfs/dbraw/zinc/59/69/55/712596955.db2.gz GKBOJCNEGMLFQB-ZFWWWQNUSA-N 1 0 229.323 2.302 10 30 BEEERO C=CC[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000380070720 712684872 /nfs/dbraw/zinc/68/48/72/712684872.db2.gz DEKFSWCHPFMZHZ-DGCLKSJQSA-N 1 0 205.301 2.274 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380225985 712833126 /nfs/dbraw/zinc/83/31/26/712833126.db2.gz OFNRQECXYLWMSX-AVGNSLFASA-N 1 0 220.316 2.351 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380226017 712833128 /nfs/dbraw/zinc/83/31/28/712833128.db2.gz OFNRQECXYLWMSX-YNEHKIRRSA-N 1 0 220.316 2.351 10 30 BEEERO CC1(C)CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH3+] ZINC000720823143 712867708 /nfs/dbraw/zinc/86/77/08/712867708.db2.gz ACBNWUVVZBSTBI-LBPRGKRZSA-N 1 0 249.745 2.385 10 30 BEEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(F)cc1C#N ZINC000721027469 712887248 /nfs/dbraw/zinc/88/72/48/712887248.db2.gz LGBPLMLPAVSNPG-GHMZBOCLSA-N 1 0 247.317 2.355 10 30 BEEERO C=C(C)C(=O)OC(C)(C)[N+](C)(CC)CC ZINC000141913355 717152519 /nfs/dbraw/zinc/15/25/19/717152519.db2.gz QCWBLEHIBOLGDZ-UHFFFAOYSA-N 1 0 214.329 2.328 10 30 BEEERO C/C=C/C(=O)CC[NH2+]Cc1ccccc1 ZINC000685959369 538906627 /nfs/dbraw/zinc/90/66/27/538906627.db2.gz SSBAJLRCFHMBBT-QHHAFSJGSA-N 1 0 203.285 2.312 10 30 BEEERO C=C(C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960397 538907595 /nfs/dbraw/zinc/90/75/95/538907595.db2.gz ITEFGHHVJGXBIH-UHFFFAOYSA-N 1 0 203.285 2.312 10 30 BEEERO CC(C)(C#N)CCCCn1cnc(N)c1 ZINC000685964151 538911090 /nfs/dbraw/zinc/91/10/90/538911090.db2.gz BPQPYUJXHWZJSQ-UHFFFAOYSA-N 1 0 206.293 2.185 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309356147 136217858 /nfs/dbraw/zinc/21/78/58/136217858.db2.gz NZFWESFFUUVPJY-GRYCIOLGSA-N 1 0 224.348 2.065 10 30 BEEERO CC[N@@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616612381 349517744 /nfs/dbraw/zinc/51/77/44/349517744.db2.gz CMPQQHYNVCUHCT-CYBMUJFWSA-N 1 0 200.285 2.367 10 30 BEEERO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000162030461 349553446 /nfs/dbraw/zinc/55/34/46/349553446.db2.gz WFGNKGVASJHKRJ-LBPRGKRZSA-N 1 0 224.348 2.021 10 30 BEEERO Cc1ccc(C#N)c(N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000053246392 178362990 /nfs/dbraw/zinc/36/29/90/178362990.db2.gz RAWQGTYHAAYDHS-CQSZACIVSA-N 1 0 243.354 2.397 10 30 BEEERO Cc1ccc(C#N)c(NC2CC[NH2+]CC2)c1 ZINC000051581055 178363602 /nfs/dbraw/zinc/36/36/02/178363602.db2.gz ODGGCTMIWMLHIG-UHFFFAOYSA-N 1 0 215.300 2.031 10 30 BEEERO Cc1ccc(C#N)c(NC[C@@H](C)[NH+](C)C)c1 ZINC000051579419 178364742 /nfs/dbraw/zinc/36/47/42/178364742.db2.gz CRLHCCKXENPJIW-LLVKDONJSA-N 1 0 217.316 2.229 10 30 BEEERO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)OC ZINC000378813573 346841186 /nfs/dbraw/zinc/84/11/86/346841186.db2.gz IVFFELMEMHXULM-IJLUTSLNSA-N 1 0 210.321 2.083 10 30 BEEERO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@H](O)C1 ZINC000309721121 342802889 /nfs/dbraw/zinc/80/28/89/342802889.db2.gz BTXVLHHAZDSBRA-UPJWGTAASA-N 1 0 224.348 2.019 10 30 BEEERO CC(C)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123141397 398291990 /nfs/dbraw/zinc/29/19/90/398291990.db2.gz BKYKVPPFTMFXSG-UHFFFAOYSA-N 1 0 242.326 2.342 10 30 BEEERO CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123137391 398292103 /nfs/dbraw/zinc/29/21/03/398292103.db2.gz UULQDEMXCSKNCK-UHFFFAOYSA-N 1 0 228.299 2.096 10 30 BEEERO CCOC1CC([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000233749252 342880520 /nfs/dbraw/zinc/88/05/20/342880520.db2.gz LFUPHLUFXHTAFP-YWPUVAFDSA-N 1 0 222.332 2.226 10 30 BEEERO C=CC[NH2+]C/C=C\c1ccc(OC)cc1 ZINC000309071950 342887012 /nfs/dbraw/zinc/88/70/12/342887012.db2.gz FCWDJQLYNJKEAC-PLNGDYQASA-N 1 0 203.285 2.484 10 30 BEEERO C=C(C)CN(CC)Cc1c(C)nn(C)c1OC ZINC000159003391 323021682 /nfs/dbraw/zinc/02/16/82/323021682.db2.gz CHVBFOUECVBTIO-UHFFFAOYSA-N 1 0 237.347 2.135 10 30 BEEERO N#Cc1cc(Cl)cc([C@@H]2CC[NH2+]C2)c1 ZINC000238534250 398339140 /nfs/dbraw/zinc/33/91/40/398339140.db2.gz BEHMJGPBXLNFGP-SECBINFHSA-N 1 0 206.676 2.289 10 30 BEEERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275758 346906911 /nfs/dbraw/zinc/90/69/11/346906911.db2.gz MPZGEZCZWVKBIJ-GFCCVEGCSA-N 1 0 244.342 2.158 10 30 BEEERO Cc1ccc(C2(C#N)CC[NH+](C)CC2)cc1 ZINC000013610036 343096497 /nfs/dbraw/zinc/09/64/97/343096497.db2.gz UWFQWENRHDTJQQ-UHFFFAOYSA-N 1 0 214.312 2.482 10 30 in-vivo BEEERO O=CC1CC[NH+](Cc2ccsc2)CC1 ZINC000054238934 343422791 /nfs/dbraw/zinc/42/27/91/343422791.db2.gz WHRRYTNZDUONLW-UHFFFAOYSA-N 1 0 209.314 2.159 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923412 136363951 /nfs/dbraw/zinc/36/39/51/136363951.db2.gz AAYFINYYXMWDHX-ZDUSSCGKSA-N 1 0 219.332 2.405 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000054827423 136373096 /nfs/dbraw/zinc/37/30/96/136373096.db2.gz CIUAJLYOKGLPKQ-JSGCOSHPSA-N 1 0 230.311 2.347 10 30 BEEERO C#CC[NH2+][C@@H](C)c1ccccc1OCC ZINC000019875601 166189911 /nfs/dbraw/zinc/18/99/11/166189911.db2.gz ZZQPVCVMRKWKQW-NSHDSACASA-N 1 0 203.285 2.369 10 30 BEEERO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000159019460 346971707 /nfs/dbraw/zinc/97/17/07/346971707.db2.gz MEGNWLCRBLQDIK-NWDGAFQWSA-N 1 0 210.321 2.083 10 30 BEEERO C[C@H]1CCC[N@H+](CC2(C=O)CCCC2)C1 ZINC000051175436 346975286 /nfs/dbraw/zinc/97/52/86/346975286.db2.gz GYGKMRJIFJIGOY-LBPRGKRZSA-N 1 0 209.333 2.478 10 30 BEEERO C=CCCCn1cc(C2CC[NH2+]CC2)cn1 ZINC000575623427 343876362 /nfs/dbraw/zinc/87/63/62/343876362.db2.gz QKHNSTFBJMQWII-UHFFFAOYSA-N 1 0 219.332 2.316 10 30 BEEERO C=C([C@H]([NH3+])[C@H]1[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000306709610 343881516 /nfs/dbraw/zinc/88/15/16/343881516.db2.gz PTCHSTNZOIPIFK-KDXUFGMBSA-N 1 0 205.223 2.478 10 30 BEEERO CN(C)[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234261828 343933118 /nfs/dbraw/zinc/93/31/18/343933118.db2.gz IADZCWQGFQGTTF-ZDUSSCGKSA-N 1 0 237.391 2.342 10 30 BEEERO COC[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000234681607 344196997 /nfs/dbraw/zinc/19/69/97/344196997.db2.gz UKQLXAXTWSKKGV-LLVKDONJSA-N 1 0 212.337 2.331 10 30 BEEERO C[N@H+](CCCC#N)[C@@H]1CCc2c(O)cccc2C1 ZINC000028004569 344325066 /nfs/dbraw/zinc/32/50/66/344325066.db2.gz JPGGIRXKQRFUGC-CYBMUJFWSA-N 1 0 244.338 2.485 10 30 BEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000600957928 344422072 /nfs/dbraw/zinc/42/20/72/344422072.db2.gz XTAYINMNVJAYOW-GZMMTYOYSA-N 1 0 235.718 2.374 10 30 BEEERO CC[NH+](CC)CC/N=C\c1ccccc1O ZINC000263584302 344483899 /nfs/dbraw/zinc/48/38/99/344483899.db2.gz PKMPLUBOIQNPGM-KAMYIIQDSA-N 1 0 220.316 2.153 10 30 BEEERO N#Cc1ccccc1[C@@H]1CCCC[N@H+]1CCO ZINC000616615909 344543970 /nfs/dbraw/zinc/54/39/70/344543970.db2.gz FLDIXOWDOKZKDQ-AWEZNQCLSA-N 1 0 230.311 2.078 10 30 BEEERO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235142582 344819137 /nfs/dbraw/zinc/81/91/37/344819137.db2.gz DTGOUJIIOPHCOR-VIFPVBQESA-N 1 0 248.754 2.242 10 30 BEEERO CC(C)[N@H+](CCCC#N)C1CCOCC1 ZINC000119614693 344856149 /nfs/dbraw/zinc/85/61/49/344856149.db2.gz IPENJWYRAQGMLR-UHFFFAOYSA-N 1 0 210.321 2.180 10 30 BEEERO C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000408242739 344878654 /nfs/dbraw/zinc/87/86/54/344878654.db2.gz XTUTWYHDDMJGGB-ZOBORPQBSA-N 1 0 236.359 2.209 10 30 BEEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCOCC1 ZINC000235526606 344932685 /nfs/dbraw/zinc/93/26/85/344932685.db2.gz CTYYFOBVUSEWTJ-IACUBPJLSA-N 1 0 236.359 2.473 10 30 BEEERO C=C(Br)CN1CCC[C@@]12CCOC2 ZINC000306214805 345123278 /nfs/dbraw/zinc/12/32/78/345123278.db2.gz HCNWIHDJGBNXFQ-JTQLQIEISA-N 1 0 246.148 2.150 10 30 BEEERO CCC[NH+](CCC)Cc1nn(C)cc1CC#N ZINC000675054048 537890887 /nfs/dbraw/zinc/89/08/87/537890887.db2.gz MWKAUKMQSANZBN-UHFFFAOYSA-N 1 0 234.347 2.108 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921457 345714572 /nfs/dbraw/zinc/71/45/72/345714572.db2.gz CVCULQPVWGKGII-MOLYVOAJSA-N 1 0 204.317 2.457 10 30 BEEERO C=CC[C@@H]1C[N@@H+](C)C[C@]1(O)c1ccccc1 ZINC000256013716 345764862 /nfs/dbraw/zinc/76/48/62/345764862.db2.gz YMSTWDUALQERSI-KGLIPLIRSA-N 1 0 217.312 2.012 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000236170197 346203989 /nfs/dbraw/zinc/20/39/89/346203989.db2.gz GQBWABPKHNOAHS-AGIUHOORSA-N 1 0 222.332 2.085 10 30 BEEERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CCC#N)c1 ZINC000042965783 179188148 /nfs/dbraw/zinc/18/81/48/179188148.db2.gz XNSDHGLKBYTGOE-TZMCWYRMSA-N 1 0 231.343 2.229 10 30 BEEERO CC(C)[NH2+]CCCNc1ccc(F)cc1C#N ZINC000582112556 347333019 /nfs/dbraw/zinc/33/30/19/347333019.db2.gz GYMAXTCCGCCLND-UHFFFAOYSA-N 1 0 235.306 2.497 10 30 BEEERO CC1([NH3+])CCN(c2cccc(F)c2C#N)CC1 ZINC000591435809 347660101 /nfs/dbraw/zinc/66/01/01/347660101.db2.gz XSWIRNNSEXGKDL-UHFFFAOYSA-N 1 0 233.290 2.015 10 30 BEEERO Cc1ccccc1OCCC[NH2+]CCS ZINC000204954523 179308869 /nfs/dbraw/zinc/30/88/69/179308869.db2.gz BVMZBKAAKVOLDE-UHFFFAOYSA-N 1 0 225.357 2.283 10 30 BEEERO C#CC[NH2+][C@H]1CSCc2ccccc21 ZINC000037184953 348054808 /nfs/dbraw/zinc/05/48/08/348054808.db2.gz ZRIMNLPUPVBKRP-LBPRGKRZSA-N 1 0 203.310 2.197 10 30 BEEERO N#Cc1cc(F)ccc1NCC1([NH3+])CCCC1 ZINC000594692218 348100300 /nfs/dbraw/zinc/10/03/00/348100300.db2.gz POQCDPUFXFIUIE-UHFFFAOYSA-N 1 0 233.290 2.381 10 30 BEEERO C=CCCSCC[NH2+]C[C@H](O)C(C)(C)C ZINC000594718426 348107063 /nfs/dbraw/zinc/10/70/63/348107063.db2.gz PXTAZKOTARHBHJ-NSHDSACASA-N 1 0 231.405 2.292 10 30 BEEERO COC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595688235 348313900 /nfs/dbraw/zinc/31/39/00/348313900.db2.gz CZXKDRCMZZSVEQ-NWDGAFQWSA-N 1 0 224.348 2.473 10 30 BEEERO COC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595688237 348313904 /nfs/dbraw/zinc/31/39/04/348313904.db2.gz CZXKDRCMZZSVEQ-VXGBXAGGSA-N 1 0 224.348 2.473 10 30 BEEERO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000595689256 348314717 /nfs/dbraw/zinc/31/47/17/348314717.db2.gz KSWUBDBLXDPXIM-MELADBBJSA-N 1 0 236.359 2.473 10 30 BEEERO C#CCOc1c(C[NH2+]CC(C)C)cccc1OC ZINC000045945767 187395644 /nfs/dbraw/zinc/39/56/44/187395644.db2.gz NJXIMROSEBZMPV-UHFFFAOYSA-N 1 0 247.338 2.453 10 30 BEEERO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054824273 348659621 /nfs/dbraw/zinc/65/96/21/348659621.db2.gz IBONAVDRNALSGN-VXGBXAGGSA-N 1 0 210.321 2.085 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382194682 348960386 /nfs/dbraw/zinc/96/03/86/348960386.db2.gz CVCULQPVWGKGII-YYHQMBLXSA-N 1 0 204.317 2.457 10 30 BEEERO C=CCN(C(=O)[C@H](C)C[NH2+]CC)C1CCCC1 ZINC000061237013 166310989 /nfs/dbraw/zinc/31/09/89/166310989.db2.gz SXTJKIBLPSZRDV-GFCCVEGCSA-N 1 0 238.375 2.189 10 30 BEEERO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1C#N ZINC000599440300 349178826 /nfs/dbraw/zinc/17/88/26/349178826.db2.gz JDCVXECECGGATQ-WFASDCNBSA-N 1 0 244.338 2.212 10 30 BEEERO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000083640846 350264969 /nfs/dbraw/zinc/26/49/69/350264969.db2.gz RZJWUGDMAWVHQI-NWDGAFQWSA-N 1 0 224.348 2.473 10 30 BEEERO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000309498161 350613993 /nfs/dbraw/zinc/61/39/93/350613993.db2.gz KTVDYDOFQONBKZ-UPJWGTAASA-N 1 0 222.332 2.227 10 30 BEEERO N#Cc1ccccc1[C@H]1CCCCN(CC[NH3+])C1 ZINC000616603766 350789799 /nfs/dbraw/zinc/78/97/99/350789799.db2.gz IAQCNIZTDFERKR-AWEZNQCLSA-N 1 0 243.354 2.086 10 30 BEEERO N#Cc1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000616604241 350792893 /nfs/dbraw/zinc/79/28/93/350792893.db2.gz BWIRSYIBWKLNKG-ZDUSSCGKSA-N 1 0 200.285 2.415 10 30 BEEERO CNC(=[NH2+])Nc1c(Cl)ccc(C)c1Cl ZINC000052069211 350902577 /nfs/dbraw/zinc/90/25/77/350902577.db2.gz DFVJUUKTUUROKQ-UHFFFAOYSA-N 1 0 232.114 2.467 10 30 BEEERO C=C(C[NH2+]C)CN(CC)Cc1ccccc1 ZINC000231595083 350875428 /nfs/dbraw/zinc/87/54/28/350875428.db2.gz XRUSGHBOFLHAND-UHFFFAOYSA-N 1 0 218.344 2.284 10 30 BEEERO N#Cc1cccc([C@@H]2CCC[N@@H+](CCO)CC2)c1 ZINC000616626661 351106130 /nfs/dbraw/zinc/10/61/30/351106130.db2.gz CGDAHDTWRKKLRG-CQSZACIVSA-N 1 0 244.338 2.120 10 30 BEEERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000616633006 351114714 /nfs/dbraw/zinc/11/47/14/351114714.db2.gz VTAZMGCEIBLGKJ-AWEZNQCLSA-N 1 0 243.354 2.303 10 30 BEEERO C=CCOc1ccc(C[NH2+]CCOCC)cc1 ZINC000036228389 358460420 /nfs/dbraw/zinc/46/04/20/358460420.db2.gz FQOQJVPSENBVRB-UHFFFAOYSA-N 1 0 235.327 2.378 10 30 BEEERO CC(C)C[C@H](C[NH3+])Nc1cccc(F)c1C#N ZINC000111830547 191133812 /nfs/dbraw/zinc/13/38/12/191133812.db2.gz VODOYLNGIWNHIE-SNVBAGLBSA-N 1 0 235.306 2.483 10 30 BEEERO CC(C)C[C@H](C[NH3+])Nc1ccc(F)cc1C#N ZINC000111830636 191133577 /nfs/dbraw/zinc/13/35/77/191133577.db2.gz DZTJNGITXIBSQE-GFCCVEGCSA-N 1 0 235.306 2.483 10 30 BEEERO C=C(Br)CNc1[nH+]ccc(C)c1N ZINC000168192483 351336915 /nfs/dbraw/zinc/33/69/15/351336915.db2.gz CQPYPSQGGFGUKQ-UHFFFAOYSA-N 1 0 242.120 2.293 10 30 BEEERO Clc1ccc(C#C[C@@H]2CC[NH2+]C2)s1 ZINC000404645452 351723941 /nfs/dbraw/zinc/72/39/41/351723941.db2.gz NXFYRBTXKXXRRJ-MRVPVSSYSA-N 1 0 211.717 2.363 10 30 BEEERO Clc1ccsc1C#C[C@H]1CC[NH2+]C1 ZINC000404664983 351790637 /nfs/dbraw/zinc/79/06/37/351790637.db2.gz YGOPDGKCMPIILD-QMMMGPOBSA-N 1 0 211.717 2.363 10 30 BEEERO C=CCN(CC[NH3+])Cc1ccc(C)cc1C ZINC000076609533 166341097 /nfs/dbraw/zinc/34/10/97/166341097.db2.gz RFLNIBJSMNRFQM-UHFFFAOYSA-N 1 0 218.344 2.250 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638454492 352263491 /nfs/dbraw/zinc/26/34/91/352263491.db2.gz HKSBLVPQGOFOAH-VXGBXAGGSA-N 1 0 238.375 2.093 10 30 BEEERO C=CC(C)(C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638454545 352263665 /nfs/dbraw/zinc/26/36/65/352263665.db2.gz IMXJPKIZSZKRPQ-GFCCVEGCSA-N 1 0 238.375 2.237 10 30 BEEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638454490 352263788 /nfs/dbraw/zinc/26/37/88/352263788.db2.gz HKSBLVPQGOFOAH-NWDGAFQWSA-N 1 0 238.375 2.093 10 30 BEEERO C[C@@H]1CCN(C[C@H](C#N)C(F)(F)F)C1 ZINC000300027330 352553242 /nfs/dbraw/zinc/55/32/42/352553242.db2.gz BVLUCDRHTWJQRY-SFYZADRCSA-N 1 0 206.211 2.030 10 30 BEEERO CC[C@H](CCC[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000076629226 187791738 /nfs/dbraw/zinc/79/17/38/187791738.db2.gz PVLGBEIKRDYMPB-GFCCVEGCSA-N 1 0 245.326 2.262 10 30 BEEERO N#Cc1cc(F)ccc1N[C@H](CC[NH3+])C(F)F ZINC000383357961 352748381 /nfs/dbraw/zinc/74/83/81/352748381.db2.gz CRKSGNJHDUMUSU-SNVBAGLBSA-N 1 0 243.232 2.092 10 30 BEEERO C=CCCC(C)(C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000638873650 353043781 /nfs/dbraw/zinc/04/37/81/353043781.db2.gz CTKCQUDRKCXYTA-LBPRGKRZSA-N 1 0 240.391 2.468 10 30 BEEERO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])CCC ZINC000638874131 353044555 /nfs/dbraw/zinc/04/45/55/353044555.db2.gz FTZZWCOASAQZHN-LLVKDONJSA-N 1 0 226.364 2.222 10 30 BEEERO CC#CCN1CCO[C@H](c2ccsc2)C1 ZINC000125762083 353195472 /nfs/dbraw/zinc/19/54/72/353195472.db2.gz PYMJFBZIRBRRLY-LBPRGKRZSA-N 1 0 221.325 2.145 10 30 BEEERO C[NH+]1CCC(C#N)(Nc2cccc(F)c2)CC1 ZINC000037937071 188116129 /nfs/dbraw/zinc/11/61/29/188116129.db2.gz LTTYFUMSBKLCKI-UHFFFAOYSA-N 1 0 233.290 2.226 10 30 BEEERO CC(C)(C)[C@H](C[NH3+])Oc1ccccc1C#N ZINC000043296090 188121281 /nfs/dbraw/zinc/12/12/81/188121281.db2.gz XNTSCDVLLIERIJ-LBPRGKRZSA-N 1 0 218.300 2.310 10 30 BEEERO C#CCCOc1cc(C[C@@H]([NH3+])CC)ccc1OC ZINC000037728234 188152336 /nfs/dbraw/zinc/15/23/36/188152336.db2.gz JXCXCTWFCGGIKU-ZDUSSCGKSA-N 1 0 247.338 2.377 10 30 BEEERO CC(=NNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1 ZINC000015961984 188169563 /nfs/dbraw/zinc/16/95/63/188169563.db2.gz WSAFOSLUYCQLSH-RZNTYIFUSA-N 1 0 245.113 2.200 10 30 BEEERO C=C(Cl)COc1cc2c(cc1C[NH3+])OCO2 ZINC000042873755 188216673 /nfs/dbraw/zinc/21/66/73/188216673.db2.gz DUXJEBCHQGDNJP-UHFFFAOYSA-N 1 0 241.674 2.005 10 30 BEEERO C=C(Br)C[NH2+][C@H]1CC1(C)C ZINC000045119568 188216787 /nfs/dbraw/zinc/21/67/87/188216787.db2.gz GHQVDHAJJACHQK-ZETCQYMHSA-N 1 0 204.111 2.283 10 30 BEEERO C=CCC[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000130811358 353361026 /nfs/dbraw/zinc/36/10/26/353361026.db2.gz VBAKPFBVGRNVGA-UHFFFAOYSA-N 1 0 213.321 2.226 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000130071350 353338990 /nfs/dbraw/zinc/33/89/90/353338990.db2.gz HBSZDKIBGMLQHI-SECBINFHSA-N 1 0 201.603 2.251 10 30 BEEERO C=CCSCC[NH2+][C@@H]1CCCSC1 ZINC000134810768 353517410 /nfs/dbraw/zinc/51/74/10/353517410.db2.gz KPWHCRDUIWXRMS-SNVBAGLBSA-N 1 0 217.403 2.391 10 30 BEEERO C#CCOc1cccc(C[NH2+]CCC)c1 ZINC000037704061 188437408 /nfs/dbraw/zinc/43/74/08/188437408.db2.gz CCLWDWBPYHCGJB-UHFFFAOYSA-N 1 0 203.285 2.198 10 30 BEEERO C=CC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000184284181 353636050 /nfs/dbraw/zinc/63/60/50/353636050.db2.gz JUKYJAVBWDFJRE-TZMCWYRMSA-N 1 0 249.354 2.325 10 30 BEEERO N#CC1(Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000040695139 181030928 /nfs/dbraw/zinc/03/09/28/181030928.db2.gz BWTARRQGVYRCOP-UHFFFAOYSA-N 1 0 235.718 2.398 10 30 BEEERO N#CC1(Nc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000040695149 181030965 /nfs/dbraw/zinc/03/09/65/181030965.db2.gz XTEBJRUSHWSFOM-UHFFFAOYSA-N 1 0 235.718 2.398 10 30 BEEERO CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000383535545 353890378 /nfs/dbraw/zinc/89/03/78/353890378.db2.gz JFYUPXFOZHXJPQ-OLZOCXBDSA-N 1 0 224.348 2.473 10 30 BEEERO N#CC1(N)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000091301933 181029263 /nfs/dbraw/zinc/02/92/63/181029263.db2.gz YOPWHKJAHRXACC-YIONKMFJSA-N 1 0 241.338 2.034 10 30 BEEERO N#C[C@H](CC[NH+]1CCCCCCC1)NC1CC1 ZINC000062368236 181064082 /nfs/dbraw/zinc/06/40/82/181064082.db2.gz AKCGCBYOEWCVOW-AWEZNQCLSA-N 1 0 235.375 2.287 10 30 BEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000054825380 181058236 /nfs/dbraw/zinc/05/82/36/181058236.db2.gz JQEIVZYFWNVVOT-AAEUAGOBSA-N 1 0 222.332 2.227 10 30 BEEERO N#Cc1c(Cl)cccc1OC[C@H]1CC[NH2+]C1 ZINC000052908642 181073704 /nfs/dbraw/zinc/07/37/04/181073704.db2.gz VEUAUHPHXMJVHM-VIFPVBQESA-N 1 0 236.702 2.200 10 30 BEEERO N#Cc1c(Cl)cccc1OC1CC[NH2+]CC1 ZINC000052908487 181074253 /nfs/dbraw/zinc/07/42/53/181074253.db2.gz RAXFHHFAZXEYCI-UHFFFAOYSA-N 1 0 236.702 2.342 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[N@@H+](CCO)C1CCCCC1 ZINC000042505769 181068754 /nfs/dbraw/zinc/06/87/54/181068754.db2.gz PBRFUVCQACJVOE-OCCSQVGLSA-N 1 0 236.359 2.306 10 30 BEEERO N#Cc1c(F)cccc1NC(=O)CCCCC[NH3+] ZINC000036158298 181075093 /nfs/dbraw/zinc/07/50/93/181075093.db2.gz HZRTYJJWMHFPLA-UHFFFAOYSA-N 1 0 249.289 2.155 10 30 BEEERO N#Cc1c(F)cccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093211068 181076366 /nfs/dbraw/zinc/07/63/66/181076366.db2.gz PNFDGLYVQIJUCV-UWVGGRQHSA-N 1 0 233.290 2.379 10 30 BEEERO N#Cc1ccc(C[NH2+]CC[C@H]2CCCO2)c(F)c1 ZINC000038097296 181108256 /nfs/dbraw/zinc/10/82/56/181108256.db2.gz JEEVZXBRRKGGLH-CYBMUJFWSA-N 1 0 248.301 2.356 10 30 BEEERO N#Cc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000035571875 181111114 /nfs/dbraw/zinc/11/11/14/181111114.db2.gz JHGVMDAVJMSXHW-CYBMUJFWSA-N 1 0 200.285 2.100 10 30 BEEERO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c(F)c1 ZINC000052013052 181110202 /nfs/dbraw/zinc/11/02/02/181110202.db2.gz JOXQVBJLEAZPOT-UONOGXRCSA-N 1 0 248.301 2.090 10 30 BEEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000044493191 181122713 /nfs/dbraw/zinc/12/27/13/181122713.db2.gz SKFCWWOBTNFDIC-ZDUSSCGKSA-N 1 0 215.300 2.112 10 30 BEEERO N#Cc1ccc(Cl)cc1NC1CC[NH2+]CC1 ZINC000038040969 181111788 /nfs/dbraw/zinc/11/17/88/181111788.db2.gz LNMWCVHRSMJVLV-UHFFFAOYSA-N 1 0 235.718 2.376 10 30 BEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070573793 181118706 /nfs/dbraw/zinc/11/87/06/181118706.db2.gz SFXBSGZRGKZXJZ-NEPJUHHUSA-N 1 0 243.310 2.014 10 30 BEEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)cc1Cl ZINC000061847567 181128931 /nfs/dbraw/zinc/12/89/31/181128931.db2.gz LEKGUWUIMQMBTH-SNVBAGLBSA-N 1 0 236.702 2.342 10 30 BEEERO N#Cc1cccnc1OCCC[C@@H]1CCCC[NH2+]1 ZINC000095072082 181153891 /nfs/dbraw/zinc/15/38/91/181153891.db2.gz NTEJZWMVWSGUMZ-ZDUSSCGKSA-N 1 0 245.326 2.254 10 30 BEEERO CSC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000235095032 363437192 /nfs/dbraw/zinc/43/71/92/363437192.db2.gz WJWRMMWXAOMUNW-VHSXEESVSA-N 1 0 210.346 2.164 10 30 BEEERO N#Cc1ccnc(OCCC[C@H]2CCC[NH2+]C2)c1 ZINC000095072079 181157812 /nfs/dbraw/zinc/15/78/12/181157812.db2.gz IYNLGRNODSCMGS-GFCCVEGCSA-N 1 0 245.326 2.112 10 30 BEEERO N#CC1(C[N@@H+]2CCC[C@]3(CCOC3)C2)CCC1 ZINC000335160973 354911961 /nfs/dbraw/zinc/91/19/61/354911961.db2.gz ZSCZCBOESSVMLR-AWEZNQCLSA-N 1 0 234.343 2.183 10 30 BEEERO N#Cc1ccnc(SC[C@H]2CCCC[NH2+]2)c1 ZINC000095072092 181158175 /nfs/dbraw/zinc/15/81/75/181158175.db2.gz KZIWAFQGEAQNDJ-LLVKDONJSA-N 1 0 233.340 2.187 10 30 BEEERO N#Cc1ccnc(OCCC[C@@H]2CCCC[NH2+]2)c1 ZINC000095072076 181158447 /nfs/dbraw/zinc/15/84/47/181158447.db2.gz PBWYZSIQVFAMSR-ZDUSSCGKSA-N 1 0 245.326 2.254 10 30 BEEERO N#Cc1ncccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000061658676 181170639 /nfs/dbraw/zinc/17/06/39/181170639.db2.gz LLMYROQJGHTECN-LBPRGKRZSA-N 1 0 227.311 2.399 10 30 BEEERO N#Cc1nc(C[NH3+])sc1-c1cccs1 ZINC000082538524 181168329 /nfs/dbraw/zinc/16/83/29/181168329.db2.gz SWNKQEWUYXZOHP-UHFFFAOYSA-N 1 0 221.310 2.202 10 30 BEEERO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC#N ZINC000346711010 355102449 /nfs/dbraw/zinc/10/24/49/355102449.db2.gz XODQRVSHNJIQCG-MJBXVCDLSA-N 1 0 236.359 2.306 10 30 BEEERO C[C@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)C[C@@H](C)C1 ZINC000675059233 538484001 /nfs/dbraw/zinc/48/40/01/538484001.db2.gz DXUAYTGIXYMFND-MEBFFEOJSA-N 1 0 223.360 2.483 10 30 BEEERO O=C[C@H]1C[NH2+]C[C@H](C2CCCCCC2)C1 ZINC000675060109 538486028 /nfs/dbraw/zinc/48/60/28/538486028.db2.gz SDPGNJNDCDLFMP-DGCLKSJQSA-N 1 0 209.333 2.381 10 30 BEEERO Cc1cccc(NC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000104174094 134159199 /nfs/dbraw/zinc/15/91/99/134159199.db2.gz PBSBDESKUPGKAH-KOLCDFICSA-N 1 0 203.289 2.130 10 30 BEEERO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000232529780 357664567 /nfs/dbraw/zinc/66/45/67/357664567.db2.gz IUVRCCALMDGYJT-ZDUSSCGKSA-N 1 0 238.375 2.411 10 30 BEEERO C=CCCC[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000132509486 325222040 /nfs/dbraw/zinc/22/20/40/325222040.db2.gz KPSBUKBMBNHJHO-LBPRGKRZSA-N 1 0 229.364 2.060 10 30 BEEERO CC#CC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000119409272 134226483 /nfs/dbraw/zinc/22/64/83/134226483.db2.gz ITVWPGUTIPRBGG-LBPRGKRZSA-N 1 0 219.332 2.101 10 30 BEEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@]1(CC)C(C)C ZINC000263196004 535390241 /nfs/dbraw/zinc/39/02/41/535390241.db2.gz WNNGPHBFKYACRO-DGCLKSJQSA-N 1 0 225.380 2.468 10 30 BEEERO C=CCN(C)[C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595448 358253321 /nfs/dbraw/zinc/25/33/21/358253321.db2.gz VYNCNGNANFHEIP-CYBMUJFWSA-N 1 0 249.310 2.027 10 30 BEEERO COc1cccc([C@@H](C#N)CC[NH+](C)C)c1 ZINC000041231566 358255281 /nfs/dbraw/zinc/25/52/81/358255281.db2.gz DQSXLAVVLLKLAR-GFCCVEGCSA-N 1 0 218.300 2.254 10 30 BEEERO C/N=C1\CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584605276 358264460 /nfs/dbraw/zinc/26/44/60/358264460.db2.gz ICTYEVZKPMCCKA-YEQVNJDRSA-N 1 0 214.312 2.450 10 30 BEEERO C=CCNC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494564 358449060 /nfs/dbraw/zinc/44/90/60/358449060.db2.gz BAULRJAQCAMTPD-HNNXBMFYSA-N 1 0 248.370 2.111 10 30 BEEERO C#CC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000045945296 358568118 /nfs/dbraw/zinc/56/81/18/358568118.db2.gz GUNCIYZRRLYQPA-UHFFFAOYSA-N 1 0 223.703 2.462 10 30 BEEERO N#CCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043425434 358538212 /nfs/dbraw/zinc/53/82/12/358538212.db2.gz RWGUZYXRMIJPLC-OLZOCXBDSA-N 1 0 222.332 2.324 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000130175197 358670231 /nfs/dbraw/zinc/67/02/31/358670231.db2.gz GLAPYPUITQWJEJ-SNVBAGLBSA-N 1 0 224.101 2.391 10 30 BEEERO C#C[C@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000130179475 358691792 /nfs/dbraw/zinc/69/17/92/358691792.db2.gz VHGNNXBDZFXYJS-QMMMGPOBSA-N 1 0 209.339 2.170 10 30 BEEERO C#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132909675 358739647 /nfs/dbraw/zinc/73/96/47/358739647.db2.gz KZIQCUJYFFJDAO-XQQFMLRXSA-N 1 0 221.344 2.193 10 30 BEEERO C=CCNC(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000057863816 358908156 /nfs/dbraw/zinc/90/81/56/358908156.db2.gz LCOREFDUNHNAJH-LBPRGKRZSA-N 1 0 238.375 2.189 10 30 BEEERO C=C([C@@H]([NH3+])c1ccncc1)C(F)(F)F ZINC000306227632 359363847 /nfs/dbraw/zinc/36/38/47/359363847.db2.gz GWWWDYTYGHKRNU-MRVPVSSYSA-N 1 0 202.179 2.200 10 30 BEEERO C#C[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000130308135 359338885 /nfs/dbraw/zinc/33/88/85/359338885.db2.gz RTXRHLKGPGGHIN-VIFPVBQESA-N 1 0 228.064 2.221 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231349610 359860855 /nfs/dbraw/zinc/86/08/55/359860855.db2.gz VOIAULJJOFSTIP-HBNTYKKESA-N 1 0 210.346 2.164 10 30 BEEERO CS[C@H]1CCC[N@H+](C[C@@H](C)C#N)CC1 ZINC000300806323 360512963 /nfs/dbraw/zinc/51/29/63/360512963.db2.gz GKNUJSOHALABFX-QWRGUYRKSA-N 1 0 212.362 2.364 10 30 BEEERO C=C(C)CN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000162005017 361086292 /nfs/dbraw/zinc/08/62/92/361086292.db2.gz NAYKGKPTWZXCFA-QWHCGFSZSA-N 1 0 208.349 2.121 10 30 BEEERO [NH3+]CC#Cc1cccc(COCc2ccco2)c1 ZINC000049610366 181346152 /nfs/dbraw/zinc/34/61/52/181346152.db2.gz WRKKMTRGOCGDSU-UHFFFAOYSA-N 1 0 241.290 2.307 10 30 BEEERO [NH3+]CC#Cc1cc(COCC2CC2)ccc1F ZINC000049610853 181346187 /nfs/dbraw/zinc/34/61/87/181346187.db2.gz UGNLGKUHIPPKKW-UHFFFAOYSA-N 1 0 233.286 2.063 10 30 BEEERO [NH3+]CC#Cc1ccc(COCC(F)(F)F)cc1 ZINC000049610352 181346243 /nfs/dbraw/zinc/34/62/43/181346243.db2.gz CFIJQBQNFIODKZ-UHFFFAOYSA-N 1 0 243.228 2.076 10 30 BEEERO C=CCC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CC1 ZINC000367619125 367085663 /nfs/dbraw/zinc/08/56/63/367085663.db2.gz BCAOIZJOVRGCLA-YIYPIFLZSA-N 1 0 221.344 2.213 10 30 BEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827383 369100694 /nfs/dbraw/zinc/10/06/94/369100694.db2.gz QJNUMKZESJMRNB-AVGNSLFASA-N 1 0 222.332 2.227 10 30 BEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cc(C)c1C#N ZINC000600951025 369576336 /nfs/dbraw/zinc/57/63/36/369576336.db2.gz DWIXAEQPYRYNKZ-QWHCGFSZSA-N 1 0 244.342 2.123 10 30 BEEERO C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1C[NH3+] ZINC000600887714 369571443 /nfs/dbraw/zinc/57/14/43/369571443.db2.gz RYZPECVKGKOPPF-UWVGGRQHSA-N 1 0 249.745 2.243 10 30 BEEERO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH3+] ZINC000600960903 369579630 /nfs/dbraw/zinc/57/96/30/369579630.db2.gz JZWXKTWJGQIHOG-MWLCHTKSSA-N 1 0 249.745 2.243 10 30 BEEERO Cc1ccc(CN2CC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000602888824 369860312 /nfs/dbraw/zinc/86/03/12/369860312.db2.gz FOYDTGMBNCWMBN-OAHLLOKOSA-N 1 0 243.354 2.003 10 30 BEEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CS1 ZINC000251716593 369908687 /nfs/dbraw/zinc/90/86/87/369908687.db2.gz BWBUGKDQRXPXNI-RCWTZXSCSA-N 1 0 210.346 2.162 10 30 BEEERO COc1cc(CN[C@@H]2CCCC[C@H]2C#N)ccn1 ZINC000062070179 369949166 /nfs/dbraw/zinc/94/91/66/369949166.db2.gz QFQCHVFXBAIMHB-QWHCGFSZSA-N 1 0 245.326 2.262 10 30 BEEERO C[C@@H]1CCCN(c2cccc(F)c2C#N)[C@H]1C[NH3+] ZINC000252212226 370002491 /nfs/dbraw/zinc/00/24/91/370002491.db2.gz WRFYBUANTXDEED-YGRLFVJLSA-N 1 0 247.317 2.261 10 30 BEEERO N#Cc1cc(F)ccc1NC[C@H]1CCCC[NH2+]1 ZINC000111027297 370046087 /nfs/dbraw/zinc/04/60/87/370046087.db2.gz BGEVTYWIYMGEBB-GFCCVEGCSA-N 1 0 233.290 2.251 10 30 BEEERO C[C@@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000111302636 370125594 /nfs/dbraw/zinc/12/55/94/370125594.db2.gz UEVAWWWGENOVHP-SSDOTTSWSA-N 1 0 243.232 2.336 10 30 BEEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)cc1F ZINC000070010685 371001766 /nfs/dbraw/zinc/00/17/66/371001766.db2.gz IUFHDYHQCBSZQN-LLVKDONJSA-N 1 0 221.279 2.093 10 30 BEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000227473613 371871279 /nfs/dbraw/zinc/87/12/79/371871279.db2.gz KVHOSBDSEBBZMG-CABCVRRESA-N 1 0 244.338 2.351 10 30 BEEERO O/N=C/c1cc[n+](C/C=C\c2ccccc2)cc1 ZINC000004737179 181826664 /nfs/dbraw/zinc/82/66/64/181826664.db2.gz LJCKRDXFJHHANI-DAXSKMNVSA-O 1 0 239.298 2.496 10 30 BEEERO C=C(C)[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228106710 371991501 /nfs/dbraw/zinc/99/15/01/371991501.db2.gz QBMQCAYXQLEUHX-HRDYMLBCSA-N 1 0 203.376 2.127 10 30 BEEERO C#C[C@H]([NH3+])[C@H](C)Oc1cccc(Cl)c1 ZINC000163753705 372047501 /nfs/dbraw/zinc/04/75/01/372047501.db2.gz NTBFTKCWZZXCAH-KWQFWETISA-N 1 0 209.676 2.068 10 30 BEEERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000040673126 373592832 /nfs/dbraw/zinc/59/28/32/373592832.db2.gz CVSIARMOESSYAQ-IUODEOHRSA-N 1 0 243.354 2.303 10 30 BEEERO CCC[NH+](CCC)Cc1cccc(/C(N)=N/O)c1 ZINC000019436708 169148807 /nfs/dbraw/zinc/14/88/07/169148807.db2.gz MEHBMERXAPRTIY-UHFFFAOYSA-N 1 0 249.358 2.403 10 30 BEEERO CCC[N@H+](Cc1ccccc1C#CCO)C1CC1 ZINC000049617687 169176783 /nfs/dbraw/zinc/17/67/83/169176783.db2.gz CVOIFEOOIGOUIF-UHFFFAOYSA-N 1 0 243.350 2.405 10 30 BEEERO CCC[C@@H](C)C(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000037550995 169353000 /nfs/dbraw/zinc/35/30/00/169353000.db2.gz HQCMCIUHDKQYMN-GFCCVEGCSA-N 1 0 244.338 2.372 10 30 BEEERO Cc1ccnc(N[C@H](C[NH3+])CC(C)C)c1C#N ZINC000135201954 384175838 /nfs/dbraw/zinc/17/58/38/384175838.db2.gz AWMSJJUPKCTEGZ-NSHDSACASA-N 1 0 232.331 2.047 10 30 BEEERO CSC1(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000235120560 134396002 /nfs/dbraw/zinc/39/60/02/134396002.db2.gz WJWRMMWXAOMUNW-UWVGGRQHSA-N 1 0 210.346 2.164 10 30 BEEERO Cc1ccncc1N[C@H]1CC[C@@H](C#N)C1 ZINC000335599757 384371212 /nfs/dbraw/zinc/37/12/12/384371212.db2.gz OQYJHVNYJCDREX-MNOVXSKESA-N 1 0 201.273 2.494 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000300368606 384702271 /nfs/dbraw/zinc/70/22/71/384702271.db2.gz RZEFRRHLRJVASI-YNEHKIRRSA-N 1 0 222.332 2.227 10 30 BEEERO N#Cc1ccccc1[C@H](C[NH3+])C1(CO)CCCC1 ZINC000536953189 384804510 /nfs/dbraw/zinc/80/45/10/384804510.db2.gz HQEFYNSEVVFQSF-AWEZNQCLSA-N 1 0 244.338 2.153 10 30 BEEERO N[NH+]=C(NCc1ccccc1)Nc1ccccc1 ZINC000156781333 384876695 /nfs/dbraw/zinc/87/66/95/384876695.db2.gz JNHCGOKDVMWFCV-UHFFFAOYSA-N 1 0 240.310 2.118 10 30 BEEERO Cc1cnn([C@H]2CCC[N@H+](CCCC#N)C2)c1 ZINC000105900585 384886341 /nfs/dbraw/zinc/88/63/41/384886341.db2.gz OWPOBXYVNXAFCN-ZDUSSCGKSA-N 1 0 232.331 2.132 10 30 BEEERO COc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1C#N ZINC000083730035 384852269 /nfs/dbraw/zinc/85/22/69/384852269.db2.gz LNRPAWRBUSMPNH-SKDRFNHKSA-N 1 0 216.284 2.065 10 30 BEEERO CC[NH2+]CCCNc1ccc(F)cc1C#N ZINC000082516542 385332680 /nfs/dbraw/zinc/33/26/80/385332680.db2.gz ZFBPVWDXMAOONC-UHFFFAOYSA-N 1 0 221.279 2.109 10 30 BEEERO CO[C@@]1(C)CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000584599229 385473486 /nfs/dbraw/zinc/47/34/86/385473486.db2.gz YTNNVDFOEBYUMZ-KBPBESRZSA-N 1 0 230.311 2.388 10 30 BEEERO SCC[NH2+]CCCOC1CCCCC1 ZINC000204954143 385644608 /nfs/dbraw/zinc/64/46/08/385644608.db2.gz BNACNPUYRJRJQX-UHFFFAOYSA-N 1 0 217.378 2.245 10 30 BEEERO C#CCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000309559516 385690803 /nfs/dbraw/zinc/69/08/03/385690803.db2.gz KOKXLQQOMXZNTG-YPMHNXCESA-N 1 0 215.296 2.164 10 30 BEEERO C#CCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000309559514 385691000 /nfs/dbraw/zinc/69/10/00/385691000.db2.gz KOKXLQQOMXZNTG-WCQYABFASA-N 1 0 215.296 2.164 10 30 BEEERO C#CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000309559511 385692502 /nfs/dbraw/zinc/69/25/02/385692502.db2.gz KOKXLQQOMXZNTG-AAEUAGOBSA-N 1 0 215.296 2.164 10 30 BEEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)cc1 ZINC000309006360 385695528 /nfs/dbraw/zinc/69/55/28/385695528.db2.gz NGLRAEZVEDVNDY-JTQLQIEISA-N 1 0 203.289 2.098 10 30 BEEERO N#Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000086402033 385773516 /nfs/dbraw/zinc/77/35/16/385773516.db2.gz DYARIXDICGUEJV-YPMHNXCESA-N 1 0 215.300 2.240 10 30 BEEERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000396648275 385724072 /nfs/dbraw/zinc/72/40/72/385724072.db2.gz LBPBXLSMQCXEBU-HUBLWGQQSA-N 1 0 243.354 2.349 10 30 BEEERO C#CC[C@@H]([NH3+])c1coc(Br)c1 ZINC000306999942 385814614 /nfs/dbraw/zinc/81/46/14/385814614.db2.gz BPDHTJIREYJRGJ-SSDOTTSWSA-N 1 0 214.062 2.065 10 30 BEEERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164564453 386040515 /nfs/dbraw/zinc/04/05/15/386040515.db2.gz CGVFRSMTLUXCLQ-LLVKDONJSA-N 1 0 226.364 2.313 10 30 BEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000129533604 386137078 /nfs/dbraw/zinc/13/70/78/386137078.db2.gz XLIQDPMUVWJTHJ-GWCFXTLKSA-N 1 0 215.300 2.111 10 30 BEEERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000267263911 386308624 /nfs/dbraw/zinc/30/86/24/386308624.db2.gz KWINLMINMJGJSH-SMDDNHRTSA-N 1 0 248.326 2.302 10 30 BEEERO Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)c(C#N)cn1 ZINC000398999702 386504786 /nfs/dbraw/zinc/50/47/86/386504786.db2.gz RMUBFKCFTLOQKD-CYBMUJFWSA-N 1 0 246.358 2.071 10 30 BEEERO C=CCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398794548 386994032 /nfs/dbraw/zinc/99/40/32/386994032.db2.gz QXKQAMGAONCOKO-AVGNSLFASA-N 1 0 209.333 2.045 10 30 BEEERO C[N@H+](CCC1CCOCC1)Cc1ccc(C#N)o1 ZINC000129645292 387006672 /nfs/dbraw/zinc/00/66/72/387006672.db2.gz XPKSTBSUSLACIM-UHFFFAOYSA-N 1 0 248.326 2.400 10 30 BEEERO [NH3+]CCC#Cc1cccc(Br)c1 ZINC000575464487 387045359 /nfs/dbraw/zinc/04/53/59/387045359.db2.gz UYFDWWGLXBOXFR-UHFFFAOYSA-N 1 0 224.101 2.149 10 30 BEEERO C[NH2+]CCC#Cc1sccc1Br ZINC000575470668 387102772 /nfs/dbraw/zinc/10/27/72/387102772.db2.gz BCMARRBDKJGYER-UHFFFAOYSA-N 1 0 244.157 2.472 10 30 BEEERO C=CC1CC[NH+](C[C@@H](O)COCCCC)CC1 ZINC000193380502 387107610 /nfs/dbraw/zinc/10/76/10/387107610.db2.gz WSSNZBLQQPHNRY-CQSZACIVSA-N 1 0 241.375 2.062 10 30 BEEERO C[C@@H]1C[C@@H](O)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000401963440 387126371 /nfs/dbraw/zinc/12/63/71/387126371.db2.gz QVKZTAPCQCCAAZ-CHWSQXEVSA-N 1 0 238.375 2.409 10 30 BEEERO [NH3+]CC#Cc1ccc(Br)c(F)c1F ZINC000575520717 387446764 /nfs/dbraw/zinc/44/67/64/387446764.db2.gz SEKXQXWNKPLCST-UHFFFAOYSA-N 1 0 246.054 2.038 10 30 BEEERO CC1(C)CN(c2ccc(Cl)cc2C#N)CC[NH2+]1 ZINC000396030084 387522321 /nfs/dbraw/zinc/52/23/21/387522321.db2.gz VUEQMCPJWXKQPT-UHFFFAOYSA-N 1 0 249.745 2.400 10 30 BEEERO CN/C(=[NH+]\C)SC[C@@H]1CC1(Cl)Cl ZINC000306289913 387549041 /nfs/dbraw/zinc/54/90/41/387549041.db2.gz PAYRUIXZIHHGHW-YFKPBYRVSA-N 1 0 227.160 2.119 10 30 BEEERO C=C(Cl)C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178292908 387921892 /nfs/dbraw/zinc/92/18/92/387921892.db2.gz NBZTYYPRZVSTFL-GFCCVEGCSA-N 1 0 239.750 2.408 10 30 BEEERO C=C(C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178301754 387922950 /nfs/dbraw/zinc/92/29/50/387922950.db2.gz YRHQRNSOWDCTQU-CYBMUJFWSA-N 1 0 219.332 2.232 10 30 BEEERO C[NH+](C)CCc1c[nH]c2ccc(C#N)cc12 ZINC000002018020 387952452 /nfs/dbraw/zinc/95/24/52/387952452.db2.gz DSNBRTOYUJFTAH-UHFFFAOYSA-N 1 0 213.284 2.144 10 30 BEEERO C[C@H](C#N)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000240551431 387937906 /nfs/dbraw/zinc/93/79/06/387937906.db2.gz GTPQMBRYTKGQES-CABCVRRESA-N 1 0 249.402 2.342 10 30 BEEERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000449237453 388159875 /nfs/dbraw/zinc/15/98/75/388159875.db2.gz BPHSKBDYLYXLKL-MLGHIDQZSA-N 1 0 222.332 2.224 10 30 BEEERO COc1ccc(C[NH+]2CCC(C=O)CC2)cc1 ZINC000071138123 388268507 /nfs/dbraw/zinc/26/85/07/388268507.db2.gz ZWTYZKNHWVMOSC-UHFFFAOYSA-N 1 0 233.311 2.106 10 30 BEEERO N#Cc1ccc(Cl)cc1NCC12CC(C1)C[NH2+]2 ZINC000596027170 388400824 /nfs/dbraw/zinc/40/08/24/388400824.db2.gz PKSHVLLFGUMBJV-UHFFFAOYSA-N 1 0 247.729 2.376 10 30 BEEERO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308235681 388658669 /nfs/dbraw/zinc/65/86/69/388658669.db2.gz ATODNXWIXJYOAI-RYUDHWBXSA-N 1 0 244.342 2.062 10 30 BEEERO C=CCOc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000091538135 388765469 /nfs/dbraw/zinc/76/54/69/388765469.db2.gz FEQDIBVIVUIFCV-UHFFFAOYSA-N 1 0 247.338 2.112 10 30 BEEERO C#C[C@@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575495799 388960550 /nfs/dbraw/zinc/96/05/50/388960550.db2.gz BTGJQUVVVVYLHW-MRVPVSSYSA-N 1 0 201.603 2.251 10 30 BEEERO C[NH+](C)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000036886751 132331803 /nfs/dbraw/zinc/33/18/03/132331803.db2.gz SWVOSZLLUAXYOP-UHFFFAOYSA-N 1 0 247.317 2.228 10 30 BEEERO C[C@H]1CN(c2ccc(C#N)cc2Cl)CC[NH2+]1 ZINC000062790636 132388429 /nfs/dbraw/zinc/38/84/29/132388429.db2.gz IKBGJXROSQJFKT-VIFPVBQESA-N 1 0 235.718 2.010 10 30 BEEERO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000062791339 132388648 /nfs/dbraw/zinc/38/86/48/132388648.db2.gz BRCDDSPYUWYOPH-SNVBAGLBSA-N 1 0 235.718 2.139 10 30 BEEERO C[C@@H]1CCN(c2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235349171 132392164 /nfs/dbraw/zinc/39/21/64/132392164.db2.gz QYVDQDYIUPXTBN-BXUZGUMPSA-N 1 0 229.327 2.122 10 30 BEEERO CC[C@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000082579429 133502828 /nfs/dbraw/zinc/50/28/28/133502828.db2.gz DBLQGZYNOGINOD-JTQLQIEISA-N 1 0 223.707 2.361 10 30 BEEERO Cc1cc(C#N)cc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000161790973 133515532 /nfs/dbraw/zinc/51/55/32/133515532.db2.gz GQHSRQAAXJNJQF-CYBMUJFWSA-N 1 0 246.358 2.071 10 30 BEEERO C=CCSCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132853674 133663718 /nfs/dbraw/zinc/66/37/18/133663718.db2.gz UDBUXLMCAQFHBH-SRVKXCTJSA-N 1 0 241.400 2.309 10 30 BEEERO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000113335573 134161345 /nfs/dbraw/zinc/16/13/45/134161345.db2.gz PAFGLHNWCMVBAC-BXUZGUMPSA-N 1 0 215.296 2.197 10 30 BEEERO C[C@@H](C#N)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181746478 134339122 /nfs/dbraw/zinc/33/91/22/134339122.db2.gz HIDHBPCVCDENGA-LSDHHAIUSA-N 1 0 249.402 2.486 10 30 BEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000309253957 134386667 /nfs/dbraw/zinc/38/66/67/134386667.db2.gz RMCHSAOHABKQEV-CHWSQXEVSA-N 1 0 222.332 2.085 10 30 BEEERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCC#N)C12CCC2 ZINC000309529883 134446802 /nfs/dbraw/zinc/44/68/02/134446802.db2.gz DCOBPGLKGMULML-QJPTWQEYSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)C1 ZINC000193331323 134594786 /nfs/dbraw/zinc/59/47/86/134594786.db2.gz OOWSUXAVAYPQAF-XVIXHAIJSA-N 1 0 234.343 2.226 10 30 BEEERO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336683429 134604268 /nfs/dbraw/zinc/60/42/68/134604268.db2.gz IVGJCTGFOBYHGW-MNOVXSKESA-N 1 0 212.362 2.410 10 30 BEEERO C[C@@H]1C(=NO)CC[N@H+]1Cc1ccccc1 ZINC000255998338 135098516 /nfs/dbraw/zinc/09/85/16/135098516.db2.gz QYXRREXPAUULFK-SNVBAGLBSA-N 1 0 204.273 2.111 10 30 BEEERO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253093376 135121003 /nfs/dbraw/zinc/12/10/03/135121003.db2.gz MHUFPHKZXHZEKS-JHJVBQTASA-N 1 0 209.333 2.188 10 30 BEEERO N#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253104282 135121900 /nfs/dbraw/zinc/12/19/00/135121900.db2.gz ZJUWVRCBYBEUGY-BFHYXJOUSA-N 1 0 236.359 2.306 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042220666 135219270 /nfs/dbraw/zinc/21/92/70/135219270.db2.gz GJWAXMMNUQBGDM-STQMWFEESA-N 1 0 246.354 2.336 10 30 BEEERO CCC1(CC)CCN(C(N[C@@H]2C[C@H]2C)=[NH+]C)C1 ZINC000261829728 135255926 /nfs/dbraw/zinc/25/59/26/135255926.db2.gz VJSVEYYHFCRZSG-VXGBXAGGSA-N 1 0 237.391 2.482 10 30 BEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](CC(C)C)C1 ZINC000262432910 135297097 /nfs/dbraw/zinc/29/70/97/135297097.db2.gz FRRUAMFACJBJQY-YNEHKIRRSA-N 1 0 237.391 2.338 10 30 BEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CC23CC3)cc1 ZINC000263065530 135330838 /nfs/dbraw/zinc/33/08/38/135330838.db2.gz GDDPXIQMMVWQBT-SNVBAGLBSA-N 1 0 245.326 2.222 10 30 BEEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)NC1CCC1 ZINC000263137869 135335088 /nfs/dbraw/zinc/33/50/88/135335088.db2.gz NVBCKOCYHWRRMQ-UHFFFAOYSA-N 1 0 249.280 2.176 10 30 BEEERO [NH2+]=C(NC[C@@H]1CC12CC2)NC1CCCCC1 ZINC000263207233 135339505 /nfs/dbraw/zinc/33/95/05/135339505.db2.gz YKNCRTWOYUOCDE-JTQLQIEISA-N 1 0 221.348 2.024 10 30 BEEERO C=C(C)CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263274498 135343669 /nfs/dbraw/zinc/34/36/69/135343669.db2.gz PYIXWGOVKTUQIQ-LLVKDONJSA-N 1 0 221.348 2.190 10 30 BEEERO CC[C@H](C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263287177 135344207 /nfs/dbraw/zinc/34/42/07/135344207.db2.gz VCDSTWZCOMKJOM-QWRGUYRKSA-N 1 0 223.364 2.412 10 30 BEEERO C#CC[NH2+]CCN(C)[C@H](C)c1ccccc1F ZINC000062020932 166187602 /nfs/dbraw/zinc/18/76/02/166187602.db2.gz KYNKVQTXVLMQCA-GFCCVEGCSA-N 1 0 234.318 2.041 10 30 BEEERO C#CCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000045945764 166198849 /nfs/dbraw/zinc/19/88/49/166198849.db2.gz YRDPGLPLWVFPFW-UHFFFAOYSA-N 1 0 247.338 2.453 10 30 BEEERO C=CCN(C(=O)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000037817741 166310520 /nfs/dbraw/zinc/31/05/20/166310520.db2.gz MLKCFTGOSGMGTR-ZDUSSCGKSA-N 1 0 232.327 2.109 10 30 BEEERO C=CCN(C(=O)[C@@]1(CC)CCC[NH2+]C1)C(C)C ZINC000062857372 166310962 /nfs/dbraw/zinc/31/09/62/166310962.db2.gz DLFJVVAMTWHWOX-AWEZNQCLSA-N 1 0 238.375 2.189 10 30 BEEERO C=CCN(C(=O)[C@@](C)([NH3+])c1ccccc1)C(C)C ZINC000052882240 166311279 /nfs/dbraw/zinc/31/12/79/166311279.db2.gz KCXUKKOBSCMNAS-HNNXBMFYSA-N 1 0 246.354 2.284 10 30 BEEERO C=CCN(CC=C)C[C@@H](C[NH3+])c1ccccc1 ZINC000061613559 166335059 /nfs/dbraw/zinc/33/50/59/166335059.db2.gz XUGHTBROYVUZMO-OAHLLOKOSA-N 1 0 230.355 2.403 10 30 BEEERO C=CCN(CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076613630 166341159 /nfs/dbraw/zinc/34/11/59/166341159.db2.gz YECKIMXABHUJGO-UHFFFAOYSA-N 1 0 229.327 2.115 10 30 BEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1C ZINC000076631557 166385516 /nfs/dbraw/zinc/38/55/16/166385516.db2.gz BZMHZKTUNZPATK-AWEZNQCLSA-N 1 0 246.354 2.038 10 30 BEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC ZINC000042579775 166388851 /nfs/dbraw/zinc/38/88/51/166388851.db2.gz FNPUPGSPSJBIDP-XQQFMLRXSA-N 1 0 238.375 2.236 10 30 BEEERO C=CC[NH2+]CCOc1cccc2cccnc21 ZINC000053585748 166399414 /nfs/dbraw/zinc/39/94/14/166399414.db2.gz QROHMZKTLVMRNH-UHFFFAOYSA-N 1 0 228.295 2.389 10 30 BEEERO CC(C)C[N@H+](C)Cc1ccccc1C#CCO ZINC000049617761 166939691 /nfs/dbraw/zinc/93/96/91/166939691.db2.gz ZUEITZYVUHZTEX-UHFFFAOYSA-N 1 0 231.339 2.118 10 30 BEEERO CC(C)[N@H+]1C[C@H](Nc2cccc(C#N)n2)[C@@H](C)C1 ZINC000129818081 167034147 /nfs/dbraw/zinc/03/41/47/167034147.db2.gz XBDGILRKJYGXEO-AAEUAGOBSA-N 1 0 244.342 2.094 10 30 BEEERO CC(C)N[C@@H](C#N)CC[N@H+](CC1CC1)C(C)C ZINC000062437766 167130373 /nfs/dbraw/zinc/13/03/73/167130373.db2.gz DMNYFIBMJNEESM-CQSZACIVSA-N 1 0 237.391 2.387 10 30 BEEERO CC[NH+](CC)CCNc1cccc(C#N)c1 ZINC000020051412 169781919 /nfs/dbraw/zinc/78/19/19/169781919.db2.gz OYXNTZBIYJHPQZ-UHFFFAOYSA-N 1 0 217.316 2.312 10 30 BEEERO CC(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC000020145565 167398965 /nfs/dbraw/zinc/39/89/65/167398965.db2.gz ZWOSBOGNJVWSIA-OAHLLOKOSA-N 1 0 245.370 2.234 10 30 BEEERO CC1CCC(CO)([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054829924 168157049 /nfs/dbraw/zinc/15/70/49/168157049.db2.gz GAIANRRMLGEFCQ-QPPOZKHWSA-N 1 0 236.359 2.209 10 30 BEEERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000054590379 170123289 /nfs/dbraw/zinc/12/32/89/170123289.db2.gz KHNWSOBRHQHWPN-CHWSQXEVSA-N 1 0 200.285 2.271 10 30 BEEERO CC[NH2+]Cc1cnn(-c2ccc(C#N)cc2)c1C ZINC000042355763 170130280 /nfs/dbraw/zinc/13/02/80/170130280.db2.gz AFLRPHBMLWCGRH-UHFFFAOYSA-N 1 0 240.310 2.162 10 30 BEEERO CC[NH2+][C@@H](C)c1ccccc1N(CC#N)CC#N ZINC000034838550 170142008 /nfs/dbraw/zinc/14/20/08/170142008.db2.gz OMHWAICIMUMALX-LBPRGKRZSA-N 1 0 242.326 2.211 10 30 BEEERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095091476 170168877 /nfs/dbraw/zinc/16/88/77/170168877.db2.gz XFVXPXRXMFLZJI-GJZGRUSLSA-N 1 0 244.338 2.115 10 30 BEEERO CCN[C@](C)(C#N)CCn1ncc2ccccc21 ZINC000050527883 170169731 /nfs/dbraw/zinc/16/97/31/170169731.db2.gz LQROVYQOKIOPJH-AWEZNQCLSA-N 1 0 242.326 2.318 10 30 BEEERO CC[C@H](C)C[N@H+](C)Cc1cccnc1C#N ZINC000061664293 171273554 /nfs/dbraw/zinc/27/35/54/171273554.db2.gz RWHZNYSHEDNHLQ-NSHDSACASA-N 1 0 217.316 2.431 10 30 BEEERO CC[C@H](C)[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049617216 171308093 /nfs/dbraw/zinc/30/80/93/171308093.db2.gz RYBSSNPLWOWJNW-ZDUSSCGKSA-N 1 0 231.339 2.261 10 30 BEEERO CC[C@H](C)OCc1ccc(F)c(C#CC[NH3+])c1 ZINC000049611116 171355300 /nfs/dbraw/zinc/35/53/00/171355300.db2.gz HWYVZRWAIXCYFM-NSHDSACASA-N 1 0 235.302 2.451 10 30 BEEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000662953367 412353284 /nfs/dbraw/zinc/35/32/84/412353284.db2.gz NEDFNWBISNGICE-RYUDHWBXSA-N 1 0 238.375 2.236 10 30 BEEERO C=CCCC(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000662953908 412353841 /nfs/dbraw/zinc/35/38/41/412353841.db2.gz RAJHCFUSWMLABW-GFCCVEGCSA-N 1 0 238.375 2.237 10 30 BEEERO C[NH+](C)CCCN[C@H](C#N)C1CCCCC1 ZINC000071531422 172443328 /nfs/dbraw/zinc/44/33/28/172443328.db2.gz BYYHFHLKNYTNAC-CYBMUJFWSA-N 1 0 223.364 2.000 10 30 BEEERO C[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738274 173022524 /nfs/dbraw/zinc/02/25/24/173022524.db2.gz WTTCSLJBJDWDOC-CYBMUJFWSA-N 1 0 200.285 2.367 10 30 BEEERO C[N@@H+]1CCC[C@]2(CCN(CC3(C#N)CCC3)C2)C1 ZINC000336264824 173062138 /nfs/dbraw/zinc/06/21/38/173062138.db2.gz POIMJJHQRMCKBP-HNNXBMFYSA-N 1 0 247.386 2.098 10 30 BEEERO C[N@@H+]1CC[C@@H](CN[C@@H](CC#N)c2ccccc2)C1 ZINC000055017009 173116632 /nfs/dbraw/zinc/11/66/32/173116632.db2.gz MISONFIJXDAVDB-ZFWWWQNUSA-N 1 0 243.354 2.183 10 30 BEEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846299 173155083 /nfs/dbraw/zinc/15/50/83/173155083.db2.gz AXXQRBPWYWMBAE-NSHDSACASA-N 1 0 235.718 2.328 10 30 BEEERO C[NH2+]C[C@@H](C)Oc1cccc(Cl)c1C#N ZINC000052908526 173365059 /nfs/dbraw/zinc/36/50/59/173365059.db2.gz ITSAODHIZOUBIR-MRVPVSSYSA-N 1 0 224.691 2.198 10 30 BEEERO C[NH2+]Cc1cccc(OC)c1OCCCCC#N ZINC000049578305 173389712 /nfs/dbraw/zinc/38/97/12/173389712.db2.gz OPJDRRPNURSWBL-UHFFFAOYSA-N 1 0 248.326 2.487 10 30 BEEERO COCCC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000062031465 174219785 /nfs/dbraw/zinc/21/97/85/174219785.db2.gz KKAQJFIZMAPTQV-YNEHKIRRSA-N 1 0 224.348 2.283 10 30 BEEERO COCCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000132656710 174250607 /nfs/dbraw/zinc/25/06/07/174250607.db2.gz CGNXDHCIILWAKZ-SECBINFHSA-N 1 0 224.329 2.307 10 30 BEEERO COc1ccc(C#CC[NH3+])cc1COC(C)(C)C ZINC000049610919 175051512 /nfs/dbraw/zinc/05/15/12/175051512.db2.gz IIKACKMCIRCUAK-UHFFFAOYSA-N 1 0 247.338 2.321 10 30 BEEERO COc1ccc(CNC2=[NH+]C[C@@H](C)S2)cc1 ZINC000020354385 175083351 /nfs/dbraw/zinc/08/33/51/175083351.db2.gz NMQZKGRBCFOFAY-SECBINFHSA-N 1 0 236.340 2.276 10 30 BEEERO COc1ccc(C[NH3+])cc1OCCCCC#N ZINC000049578190 175097754 /nfs/dbraw/zinc/09/77/54/175097754.db2.gz STIHJVZHBSWALT-UHFFFAOYSA-N 1 0 234.299 2.227 10 30 BEEERO COc1ccc(COC(C)(C)C)cc1C#CC[NH3+] ZINC000049610920 175113519 /nfs/dbraw/zinc/11/35/19/175113519.db2.gz KENHSMOWTMOEPD-UHFFFAOYSA-N 1 0 247.338 2.321 10 30 BEEERO COc1ccccc1CCN[C@H](C#N)C(C)C ZINC000057520967 175323781 /nfs/dbraw/zinc/32/37/81/175323781.db2.gz OQHFIPUPZRXKER-CYBMUJFWSA-N 1 0 232.327 2.375 10 30 BEEERO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(C#N)s1 ZINC000127440165 175678104 /nfs/dbraw/zinc/67/81/04/175678104.db2.gz PUUVAYQTPKUAIW-VHSXEESVSA-N 1 0 238.356 2.289 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049615739 176073317 /nfs/dbraw/zinc/07/33/17/176073317.db2.gz RWYJXEZSDMTRJM-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049615715 176074479 /nfs/dbraw/zinc/07/44/79/176074479.db2.gz XDJQHSZGUKQUBQ-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049615242 176108783 /nfs/dbraw/zinc/10/87/83/176108783.db2.gz QGIVQGKRGLHDMX-GFCCVEGCSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615192 176109082 /nfs/dbraw/zinc/10/90/82/176109082.db2.gz RITUMIGXESIEHK-CQSZACIVSA-N 1 0 243.350 2.405 10 30 BEEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@]1(C)C[NH3+] ZINC000335284730 176318815 /nfs/dbraw/zinc/31/88/15/176318815.db2.gz AZPUNIYURBQLSV-QMTHXVAHSA-N 1 0 247.317 2.118 10 30 BEEERO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@]1(C)C[NH3+] ZINC000311069156 176318962 /nfs/dbraw/zinc/31/89/62/176318962.db2.gz YQOAEKYYWXBULJ-QMTHXVAHSA-N 1 0 247.317 2.118 10 30 BEEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1[NH+](C)C ZINC000123985786 176320254 /nfs/dbraw/zinc/32/02/54/176320254.db2.gz QDMWYYCVHAEEJP-YGRLFVJLSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@@H]1CSC(NCc2cccc(C#N)c2)=[NH+]1 ZINC000051667926 176349336 /nfs/dbraw/zinc/34/93/36/176349336.db2.gz OZPPVCKNRGQSRT-SECBINFHSA-N 1 0 231.324 2.139 10 30 BEEERO C[C@H]1CCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049615245 177110824 /nfs/dbraw/zinc/11/08/24/177110824.db2.gz QGIVQGKRGLHDMX-LBPRGKRZSA-N 1 0 247.313 2.154 10 30 BEEERO C[C@H]1CC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049613588 177162932 /nfs/dbraw/zinc/16/29/32/177162932.db2.gz UMGKMGSIFMCNSW-AWEZNQCLSA-N 1 0 243.350 2.262 10 30 BEEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(F)c1C#N ZINC000335657153 177174506 /nfs/dbraw/zinc/17/45/06/177174506.db2.gz MBFSTKUECCBAOU-ZANVPECISA-N 1 0 233.290 2.107 10 30 BEEERO C[C@H]1CN(c2cccc(F)c2C#N)C[C@H]1[NH+](C)C ZINC000251837922 177277015 /nfs/dbraw/zinc/27/70/15/177277015.db2.gz QDMWYYCVHAEEJP-IINYFYTJSA-N 1 0 247.317 2.084 10 30 BEEERO C[C@H]1C[NH+]=C(NCc2ccccc2F)S1 ZINC000035294995 177279210 /nfs/dbraw/zinc/27/92/10/177279210.db2.gz WRQHEBKHOSHASZ-QMMMGPOBSA-N 1 0 224.304 2.407 10 30 BEEERO C[C@H]1C[C@H](O)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000401504293 226358682 /nfs/dbraw/zinc/35/86/82/226358682.db2.gz QUCOSFSIRLTVOK-RYUDHWBXSA-N 1 0 224.348 2.019 10 30 BEEERO CC[NH2+][C@H](C)CNc1c(F)cc(C#N)cc1F ZINC000395741171 266170898 /nfs/dbraw/zinc/17/08/98/266170898.db2.gz KGHAZMUDQBOFAJ-MRVPVSSYSA-N 1 0 239.269 2.246 10 30 BEEERO C=C[C@H](C)[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000123180584 324093854 /nfs/dbraw/zinc/09/38/54/324093854.db2.gz LLYBOVUJNBYWMH-JTQLQIEISA-N 1 0 249.310 2.131 10 30 BEEERO C=CCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130276289 325033230 /nfs/dbraw/zinc/03/32/30/325033230.db2.gz BAARJYAORZINBF-UHFFFAOYSA-N 1 0 238.375 2.189 10 30 BEEERO C=C(C)COCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134501330 325361988 /nfs/dbraw/zinc/36/19/88/325361988.db2.gz DYPSBAXQIOTXDL-UHFFFAOYSA-N 1 0 245.326 2.245 10 30 BEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000408464186 487555370 /nfs/dbraw/zinc/55/53/70/487555370.db2.gz FUVSRTKMIMBAMU-MELADBBJSA-N 1 0 236.359 2.209 10 30 BEEERO CO/[NH+]=C1/c2cccc(N)c2CC1(C)C ZINC000584645342 490182467 /nfs/dbraw/zinc/18/24/67/490182467.db2.gz JUUWOJBQQXEDFC-KAMYIIQDSA-N 1 0 204.273 2.202 10 30 BEEERO C#CC[NH2+]CCSCc1ccc(CC)o1 ZINC000757172763 582551718 /nfs/dbraw/zinc/55/17/18/582551718.db2.gz ZTPFTFJPGZIRGE-UHFFFAOYSA-N 1 0 223.341 2.298 10 30 BEEERO C=C(Cl)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023453 534441897 /nfs/dbraw/zinc/44/18/97/534441897.db2.gz QAPCXFKALIISNV-VXGBXAGGSA-N 1 0 229.751 2.366 10 30 BEEERO C=CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000102222040 534621583 /nfs/dbraw/zinc/62/15/83/534621583.db2.gz UFEVJFYACVIHQN-AWEZNQCLSA-N 1 0 246.354 2.372 10 30 BEEERO CC(C)(C)NC(=[NH2+])NCC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263107453 534661913 /nfs/dbraw/zinc/66/19/13/534661913.db2.gz KSNWMCJOARLJRS-WOPDTQHZSA-N 1 0 235.375 2.292 10 30 BEEERO C=CCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177141858 534667346 /nfs/dbraw/zinc/66/73/46/534667346.db2.gz UIONOZPUGBBLGZ-STQMWFEESA-N 1 0 238.375 2.188 10 30 BEEERO C=CCCC[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000121135227 534705680 /nfs/dbraw/zinc/70/56/80/534705680.db2.gz UXDYQHAIYJEBEC-UHFFFAOYSA-N 1 0 238.375 2.333 10 30 BEEERO C=CCCC[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121084787 534707650 /nfs/dbraw/zinc/70/76/50/534707650.db2.gz SHSVZKYWFMUSMH-LBPRGKRZSA-N 1 0 226.364 2.045 10 30 BEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCCCC ZINC000121158629 534712417 /nfs/dbraw/zinc/71/24/17/534712417.db2.gz FTGNINNBFJDHOB-LBPRGKRZSA-N 1 0 226.364 2.189 10 30 BEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000121158972 534712043 /nfs/dbraw/zinc/71/20/43/534712043.db2.gz KEXYIJOJSILCAW-ZDUSSCGKSA-N 1 0 240.391 2.435 10 30 BEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000121064497 534712998 /nfs/dbraw/zinc/71/29/98/534712998.db2.gz NJSBWRBNAAQLTF-GFCCVEGCSA-N 1 0 226.364 2.045 10 30 BEEERO CC(C)(C#N)N1CC[NH+](C2CCCCC2)CC1 ZINC000109458621 534999156 /nfs/dbraw/zinc/99/91/56/534999156.db2.gz UKMRDKHWQPPMBD-UHFFFAOYSA-N 1 0 235.375 2.239 10 30 BEEERO CC(C)CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263284503 535064547 /nfs/dbraw/zinc/06/45/47/535064547.db2.gz TXOCGKKFLBMGRN-NSHDSACASA-N 1 0 223.364 2.270 10 30 BEEERO CC(C)NC(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1 ZINC000262527558 535125794 /nfs/dbraw/zinc/12/57/94/535125794.db2.gz LVNXMQASPFZFIJ-RYUDHWBXSA-N 1 0 223.364 2.268 10 30 BEEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])N(C)C1CC1 ZINC000263187270 535892282 /nfs/dbraw/zinc/89/22/82/535892282.db2.gz VAWCVZJBBVAANM-DGCLKSJQSA-N 1 0 223.364 2.220 10 30 BEEERO C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCCCC#N ZINC000757132995 582509371 /nfs/dbraw/zinc/50/93/71/582509371.db2.gz SIFCUJMVFFMROK-UONOGXRCSA-N 1 0 235.375 2.287 10 30 BEEERO C[C@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043692276 582806128 /nfs/dbraw/zinc/80/61/28/582806128.db2.gz CHIFYIDEVCDWFH-LBPRGKRZSA-N 1 0 249.379 2.324 10 30 BEEERO CC(C)(C#N)CCCCn1cc[nH+]c1N ZINC000702460907 582926571 /nfs/dbraw/zinc/92/65/71/582926571.db2.gz VVDLWOOTHRKMLA-UHFFFAOYSA-N 1 0 206.293 2.185 10 30 BEEERO C=CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000127142101 583375587 /nfs/dbraw/zinc/37/55/87/583375587.db2.gz HXAFPXFZJBMVHY-ZDUSSCGKSA-N 1 0 223.291 2.285 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=C(C)C ZINC000119419743 589282862 /nfs/dbraw/zinc/28/28/62/589282862.db2.gz NWMPJTJHQBIYRU-CYBMUJFWSA-N 1 0 237.343 2.230 10 30 BEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C=C(C)C ZINC000119419878 589282875 /nfs/dbraw/zinc/28/28/75/589282875.db2.gz NWMPJTJHQBIYRU-ZDUSSCGKSA-N 1 0 237.343 2.230 10 30 BEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CC(C)C ZINC000121605319 589520591 /nfs/dbraw/zinc/52/05/91/589520591.db2.gz LVPSWRZAXYSBDT-CYBMUJFWSA-N 1 0 239.359 2.309 10 30 BEEERO C#CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000125007424 590111765 /nfs/dbraw/zinc/11/17/65/590111765.db2.gz RVIWNWYQKHJLTO-ZNMIVQPWSA-N 1 0 235.371 2.415 10 30 BEEERO CCCCCCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000125594198 590172182 /nfs/dbraw/zinc/17/21/82/590172182.db2.gz ROQOTMSIDVIRBR-OLZOCXBDSA-N 1 0 240.391 2.461 10 30 BEEERO CCCCCCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000125593993 590172235 /nfs/dbraw/zinc/17/22/35/590172235.db2.gz ROQOTMSIDVIRBR-CHWSQXEVSA-N 1 0 240.391 2.461 10 30 BEEERO CCNC(NCCc1c(C)cccc1C)=[NH+]CC ZINC000130722567 591511599 /nfs/dbraw/zinc/51/15/99/591511599.db2.gz ZRCDUIGHWGZIIZ-UHFFFAOYSA-N 1 0 247.386 2.421 10 30 BEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000104162330 592602600 /nfs/dbraw/zinc/60/26/00/592602600.db2.gz WDWRGDMHVPPEBF-ZIAGYGMSSA-N 1 0 243.354 2.247 10 30 BEEERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000308341528 631295314 /nfs/dbraw/zinc/29/53/14/631295314.db2.gz BZICMZYFEQCYPD-FVCCEPFGSA-N 1 0 234.343 2.226 10 30 BEEERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C12CCC2 ZINC000308341530 631295611 /nfs/dbraw/zinc/29/56/11/631295611.db2.gz BZICMZYFEQCYPD-QNWHQSFQSA-N 1 0 234.343 2.226 10 30 BEEERO C[C@H](CCC[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000309022386 631803599 /nfs/dbraw/zinc/80/35/99/631803599.db2.gz VOLKZLLDHPBFCZ-ZCFIWIBFSA-N 1 0 244.751 2.207 10 30 BEEERO CCCCCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309237951 632833572 /nfs/dbraw/zinc/83/35/72/632833572.db2.gz VRYQKILNXYCEQO-NWDGAFQWSA-N 1 0 226.364 2.295 10 30 BEEERO CCCCCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000309313684 632924912 /nfs/dbraw/zinc/92/49/12/632924912.db2.gz XYZJOHPHUDKIHI-STQMWFEESA-N 1 0 229.364 2.038 10 30 BEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000236498658 632952745 /nfs/dbraw/zinc/95/27/45/632952745.db2.gz YHKFHFILSHUCTP-QWHCGFSZSA-N 1 0 224.348 2.211 10 30 BEEERO C#CCSCC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000309439626 633073044 /nfs/dbraw/zinc/07/30/44/633073044.db2.gz IDTPNBLWUIIQHI-QJPTWQEYSA-N 1 0 241.400 2.002 10 30 BEEERO C#CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000086903133 636890604 /nfs/dbraw/zinc/89/06/04/636890604.db2.gz HOCAWLDZUZVPGG-ZDUSSCGKSA-N 1 0 221.344 2.481 10 30 BEEERO N#C[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000054825068 640410896 /nfs/dbraw/zinc/41/08/96/640410896.db2.gz JGGFDLRRNFQCFV-RDBSUJKOSA-N 1 0 230.311 2.002 10 30 BEEERO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1O ZINC000061891356 641005343 /nfs/dbraw/zinc/00/53/43/641005343.db2.gz WAKUUDGEYHWCPP-CMPLNLGQSA-N 1 0 246.310 2.183 10 30 BEEERO C[NH2+]C[C@@H]1CCCCN1c1cccc(F)c1C#N ZINC000063169581 641142311 /nfs/dbraw/zinc/14/23/11/641142311.db2.gz YLDJTFTYOADBSX-NSHDSACASA-N 1 0 247.317 2.276 10 30 BEEERO C#CCCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000231637729 641189255 /nfs/dbraw/zinc/18/92/55/641189255.db2.gz IUDMLGQUSYOAIU-GJZGRUSLSA-N 1 0 234.387 2.349 10 30 BEEERO CC(C)(C#N)CCCC[NH2+]C(C)(C)CO ZINC000232516086 642424135 /nfs/dbraw/zinc/42/41/35/642424135.db2.gz ZERVTWOUQKARQS-UHFFFAOYSA-N 1 0 212.337 2.067 10 30 BEEERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000049948793 643563920 /nfs/dbraw/zinc/56/39/20/643563920.db2.gz VUUQYURXEGOKEB-KBPBESRZSA-N 1 0 230.311 2.215 10 30 BEEERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000049948708 643564262 /nfs/dbraw/zinc/56/42/62/643564262.db2.gz WWMDEORMNCFGOO-UONOGXRCSA-N 1 0 230.311 2.215 10 30 BEEERO CCN(c1ccc(C#N)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314152 643666288 /nfs/dbraw/zinc/66/62/88/643666288.db2.gz JNSVLIYYECKGJA-GFCCVEGCSA-N 1 0 249.745 2.400 10 30 BEEERO C#CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000086903130 644271487 /nfs/dbraw/zinc/27/14/87/644271487.db2.gz HOCAWLDZUZVPGG-CYBMUJFWSA-N 1 0 221.344 2.481 10 30 BEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000087029124 644494753 /nfs/dbraw/zinc/49/47/53/644494753.db2.gz WWCMSRIKJRAMQS-CHWSQXEVSA-N 1 0 236.359 2.354 10 30 BEEERO C#CC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000134787679 711558879 /nfs/dbraw/zinc/55/88/79/711558879.db2.gz OOMZOMCPOQUQTF-LLVKDONJSA-N 1 0 203.285 2.287 10 30 BEEERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000708695903 712196892 /nfs/dbraw/zinc/19/68/92/712196892.db2.gz PCUTYSKNEQUWQP-NDBYEHHHSA-N 1 0 222.332 2.083 10 30 BEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711401912 712297782 /nfs/dbraw/zinc/29/77/82/712297782.db2.gz XEHCXFIMEJSSAU-RWMBFGLXSA-N 1 0 234.343 2.370 10 30 BEEERO C[C@@H](CC#N)[NH2+]CCc1cccc(F)c1 ZINC000037871479 712777891 /nfs/dbraw/zinc/77/78/91/712777891.db2.gz IGMNFASGJGMZOI-JTQLQIEISA-N 1 0 206.264 2.260 10 30 BEEERO